- candid: assign gamma=0.5 ambiguity=20 support=0.02..10.0 transposed=1.0 observa
        ble=1.0 structure=0.4 smooth=1.0 volume=0.025 rsupport=0.5 tsupport=0.75 qu
        ality=0.2 violation=0.3
 
    Peak 2 (11.10, 11.10, 134.86 ppm):
    1 diagonal assignment:
    *     HE1   TRP   49 - HE1   TRP   49  (1.00)  kept
 
    Peak 3 (8.71, 8.71, 131.46 ppm):
    1 diagonal assignment:
    *     HN    ALA   20 - HN    ALA   20  (1.00)  kept
 
    Peak 4 (8.93, 8.93, 131.32 ppm):
    1 diagonal assignment:
    *     HN    ILE   19 - HN    ILE   19  (1.00)  kept
 
    Peak 5 (10.20, 10.20, 129.00 ppm):
    1 diagonal assignment:
    *     HE1   TRP   27 - HE1   TRP   27  (1.00)  kept
 
    Peak 6 (8.53, 8.53, 128.95 ppm):
    1 diagonal assignment:
    *     HN    VAL   75 - HN    VAL   75  (1.00)  kept
 
    Peak 7 (9.14, 9.14, 128.89 ppm):
    1 diagonal assignment:
    *     HN    VAL  108 - HN    VAL  108  (1.00)  kept
 
    Peak 8 (9.10, 9.10, 128.88 ppm):
    1 diagonal assignment:
    *     HN    ASP-  76 - HN    ASP-  76  (1.00)  kept
 
    Peak 9 (7.45, 7.45, 128.80 ppm):
    1 diagonal assignment:
    *     HN    ALA  124 - HN    ALA  124  (1.00)  kept
 
    Peak 10 (10.56, 10.56, 128.74 ppm):
    1 diagonal assignment:
    *     HE1   TRP   87 - HE1   TRP   87  (1.00)  kept
 
    Peak 11 (9.38, 9.38, 128.74 ppm):
    1 diagonal assignment:
    *     HN    LEU  104 - HN    LEU  104  (1.00)  kept
 
    Peak 12 (8.15, 8.15, 128.27 ppm):
    1 diagonal assignment:
    *     HN    LEU   71 - HN    LEU   71  (1.00)  kept
 
    Peak 13 (9.02, 9.02, 128.16 ppm):
    1 diagonal assignment:
    *     HN    VAL   41 - HN    VAL   41  (1.00)  kept
 
    Peak 14 (8.88, 8.88, 128.13 ppm):
    1 diagonal assignment:
    *     HN    LEU   40 - HN    LEU   40  (1.00)  kept
 
    Peak 15 (10.11, 10.11, 128.03 ppm):
    1 diagonal assignment:
    *     HN    GLU- 100 - HN    GLU- 100  (1.00)  kept
 
    Peak 16 (9.36, 9.36, 127.59 ppm):
    1 diagonal assignment:
    *     HN    PHE   72 - HN    PHE   72  (1.00)  kept
 
    Peak 17 (8.62, 8.62, 127.39 ppm):
    1 diagonal assignment:
    *     HN    GLN   90 - HN    GLN   90  (1.00)  kept
 
    Peak 18 (7.41, 7.41, 127.14 ppm):
    1 diagonal assignment:
    *     HN    ALA   57 - HN    ALA   57  (1.00)  kept
 
    Peak 19 (8.95, 8.95, 126.35 ppm):
    1 diagonal assignment:
    *     HN    VAL   42 - HN    VAL   42  (1.00)  kept
 
    Peak 20 (9.16, 9.16, 125.94 ppm):
    1 diagonal assignment:
    *     HN    VAL   43 - HN    VAL   43  (1.00)  kept
 
    Peak 21 (8.74, 8.74, 125.75 ppm):
    1 diagonal assignment:
    *     HN    PHE   45 - HN    PHE   45  (1.00)  kept
 
    Peak 22 (7.58, 7.58, 125.75 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 111 - HN    LYS+ 111  (1.00)  kept
 
    Peak 23 (9.69, 9.69, 125.68 ppm):
    1 diagonal assignment:
    *     HN    LEU   98 - HN    LEU   98  (1.00)  kept
 
    Peak 24 (9.57, 9.57, 125.50 ppm):
    1 diagonal assignment:
    *     HN    VAL  107 - HN    VAL  107  (1.00)  kept
 
    Peak 25 (9.87, 9.87, 125.46 ppm):
    1 diagonal assignment:
    *     HN    PHE   95 - HN    PHE   95  (1.00)  kept
 
    Peak 26 (8.37, 8.37, 125.10 ppm):
    1 diagonal assignment:
    *     HN    ALA   12 - HN    ALA   12  (0.72)  kept
 
    Peak 27 (7.98, 7.98, 124.64 ppm):
    1 diagonal assignment:
    *     HN    VAL   70 - HN    VAL   70  (1.00)  kept
 
    Peak 28 (8.31, 8.31, 124.24 ppm):
    1 diagonal assignment:
    *     HN    ASP-  86 - HN    ASP-  86  (1.00)  kept
 
    Peak 29 (8.49, 8.49, 124.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 112 - HN    LYS+ 112  (1.00)  kept
 
    Peak 30 (8.39, 8.39, 124.20 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 31 (8.40, 8.40, 123.79 ppm):
    1 diagonal assignment:
    *     HN    PHE   97 - HN    PHE   97  (1.00)  kept
 
    Peak 32 (6.59, 6.59, 123.60 ppm):
    1 diagonal assignment:
    *     HN    VAL   83 - HN    VAL   83  (0.75)  kept
 
    Peak 33 (9.32, 9.32, 123.66 ppm):
    1 diagonal assignment:
    *     HN    MET   96 - HN    MET   96  (0.89)  kept
 
    Peak 34 (8.78, 8.78, 123.55 ppm):
    1 diagonal assignment:
    *     HN    ASP-  44 - HN    ASP-  44  (1.00)  kept
 
    Peak 35 (9.21, 9.21, 123.27 ppm):
    1 diagonal assignment:
    *     HN    VAL   24 - HN    VAL   24  (1.00)  kept
 
    Peak 36 (7.73, 7.73, 123.24 ppm):
    2 diagonal assignments:
    *     HN    TRP   27 - HN    TRP   27  (1.00)  kept
          HN    ALA   91 - HN    ALA   91  (0.10)  kept
 
    Peak 37 (8.40, 8.40, 122.87 ppm):
    1 diagonal assignment:
    *     HN    LEU  115 - HN    LEU  115  (1.00)  kept
 
    Peak 38 (7.72, 7.72, 122.85 ppm):
    2 diagonal assignments:
    *     HN    ALA   91 - HN    ALA   91  (1.00)  kept
          HN    TRP   27 - HN    TRP   27  (0.10)  kept
 
    Peak 39 (8.32, 8.32, 122.30 ppm):
    1 diagonal assignment:
    *     HN    GLU-  14 - HN    GLU-  14  (0.70)  kept
 
    Peak 40 (8.48, 8.48, 122.27 ppm):
    1 diagonal assignment:
    *     HN    MET   11 - HN    MET   11  (1.00)  kept
 
    Peak 41 (8.75, 8.75, 122.21 ppm):
    1 diagonal assignment:
    *     HN    ALA  110 - HN    ALA  110  (1.00)  kept
 
    Peak 42 (8.62, 8.62, 122.05 ppm):
    1 diagonal assignment:
    *     HN    ILE  103 - HN    ILE  103  (1.00)  kept
 
    Peak 43 (8.16, 8.16, 121.97 ppm):
    1 diagonal assignment:
    *     HN    GLU- 114 - HN    GLU- 114  (1.00)  kept
 
    Peak 44 (6.60, 6.60, 121.96 ppm):
    1 diagonal assignment:
    *     HN    CYS   50 - HN    CYS   50  (1.00)  kept
 
    Peak 45 (7.29, 7.29, 121.74 ppm):
    1 diagonal assignment:
    *     HN    LYS+  81 - HN    LYS+  81  (1.00)  kept
 
    Peak 46 (8.02, 8.02, 121.50 ppm):
    1 diagonal assignment:
    *     HN    GLU-  79 - HN    GLU-  79  (0.61)  kept
 
    Peak 47 (7.82, 7.82, 121.71 ppm):
    1 diagonal assignment:
    *     HN    ALA   88 - HN    ALA   88  (1.00)  kept
 
    Peak 48 (8.08, 8.08, 121.56 ppm):
    2 diagonal assignments:
    *     HN    ALA   34 - HN    ALA   34  (1.00)  kept
          HN    LEU   80 - HN    LEU   80  (0.89)  kept
 
    Peak 49 (7.46, 7.46, 121.46 ppm):
    1 diagonal assignment:
    *     HN    LEU  123 - HN    LEU  123  (1.00)  kept
 
    Peak 50 (7.92, 7.92, 121.27 ppm):
    2 diagonal assignments:
    *     HN    ILE  119 - HN    ILE  119  (1.00)  kept
          HN    CYS   21 - HN    CYS   21  (0.23)  kept
 
    Peak 51 (8.48, 8.48, 121.30 ppm):
    1 diagonal assignment:
    *     HN    LYS+  74 - HN    LYS+  74  (0.71)  kept
 
    Peak 52 (8.29, 8.29, 121.00 ppm):
    1 diagonal assignment:
    *     HN    GLU-  29 - HN    GLU-  29  (1.00)  kept
 
    Peak 53 (7.93, 7.93, 121.01 ppm):
    2 diagonal assignments:
    *     HN    CYS   21 - HN    CYS   21  (1.00)  kept
          HN    ILE  119 - HN    ILE  119  (0.23)  kept
 
    Peak 54 (8.17, 8.17, 120.70 ppm):
    2 diagonal assignments:
          HN    PHE   60 - HN    PHE   60  (0.22)  kept
    *     HN    THR  118 - HN    THR  118  (0.16)  kept
 
    Peak 55 (7.86, 7.86, 120.86 ppm):
    1 diagonal assignment:
    *     HN    ASP-  62 - HN    ASP-  62  (0.86)  kept
 
    Peak 56 (7.59, 7.59, 120.97 ppm):
    1 diagonal assignment:
    *     HN    LEU   63 - HN    LEU   63  (1.00)  kept
 
    Peak 57 (7.01, 7.01, 120.97 ppm):
    1 diagonal assignment:
    *     HN    ALA   47 - HN    ALA   47  (1.00)  kept
 
    Peak 58 (7.76, 7.76, 120.90 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 102 - HN    LYS+ 102  (1.00)  kept
 
    Peak 59 (9.10, 9.10, 120.75 ppm):
    1 diagonal assignment:
    *     HN    HIS   22 - HN    HIS   22  (1.00)  kept
 
    Peak 60 (8.95, 8.95, 120.59 ppm):
    1 diagonal assignment:
    *     HN    LEU   73 - HN    LEU   73  (1.00)  kept
 
    Peak 61 (7.95, 7.95, 120.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  33 - HN    LYS+  33  (1.00)  kept
 
    Peak 62 (8.36, 8.36, 120.50 ppm):
    1 diagonal assignment:
    *     HN    ASN   35 - HN    ASN   35  (1.00)  kept
 
    Peak 63 (8.78, 8.78, 120.28 ppm):
    1 diagonal assignment:
    *     HN    GLU-  25 - HN    GLU-  25  (1.00)  kept
 
    Peak 64 (7.58, 7.58, 119.96 ppm):
    1 diagonal assignment:
    *     HN    ALA   84 - HN    ALA   84  (1.00)  kept
 
    Peak 65 (7.34, 7.34, 119.88 ppm):
    2 diagonal assignments:
    *     HN    LEU   67 - HN    LEU   67  (1.00)  kept
          HE3   TRP   27 - HE3   TRP   27  (0.03)  kept
 
    Peak 66 (9.44, 9.44, 119.76 ppm):
    1 diagonal assignment:
    *     HN    SER   48 - HN    SER   48  (1.00)  kept
 
    Peak 67 (8.06, 8.06, 119.69 ppm):
    1 diagonal assignment:
    *     HN    GLN   32 - HN    GLN   32  (1.00)  kept
 
    Peak 68 (7.25, 7.25, 119.50 ppm):
    1 diagonal assignment:
    *     HN    PHE   59 - HN    PHE   59  (0.77)  kept
 
    Peak 69 (7.76, 7.76, 119.36 ppm):
    1 diagonal assignment:
    *     HN    GLU-  36 - HN    GLU-  36  (1.00)  kept
 
    Peak 70 (8.52, 8.52, 119.25 ppm):
    1 diagonal assignment:
    *     HN    ASP-  78 - HN    ASP-  78  (1.00)  kept
 
    Peak 71 (9.27, 9.27, 119.07 ppm):
    1 diagonal assignment:
    *     HN    THR   77 - HN    THR   77  (1.00)  kept
 
    Peak 72 (7.84, 7.84, 118.81 ppm):
    2 diagonal assignments:
    *     HN    PHE   55 - HN    PHE   55  (0.79)  kept
          HN    LEU   31 - HN    LEU   31  (0.39)  kept
 
    Peak 73 (7.91, 7.91, 118.70 ppm):
    1 diagonal assignment:
    *     HN    ILE   89 - HN    ILE   89  (1.00)  kept
 
    Peak 74 (7.43, 7.43, 118.69 ppm):
    1 diagonal assignment:
    *     HN    ALA  120 - HN    ALA  120  (0.85)  kept
 
    Peak 75 (8.46, 8.46, 118.59 ppm):
    1 diagonal assignment:
    *     HN    MET   92 - HN    MET   92  (1.00)  kept
 
    Peak 76 (8.31, 8.31, 118.54 ppm):
    2 diagonal assignments:
    *     HN    GLN   30 - HN    GLN   30  (1.00)  kept
          HN    LYS+  99 - HN    LYS+  99  (0.02)  kept
 
    Peak 77 (6.46, 6.46, 118.53 ppm):
    1 diagonal assignment:
    *     HN    ALA   64 - HN    ALA   64  (1.00)  kept
 
    Peak 78 (8.97, 8.97, 118.18 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 106 - HN    LYS+ 106  (1.00)  kept
 
    Peak 79 (8.33, 8.33, 118.17 ppm):
    2 diagonal assignments:
    *     HN    LYS+  99 - HN    LYS+  99  (1.00)  kept
          HN    GLN   30 - HN    GLN   30  (0.02)  kept
 
    Peak 80 (7.69, 7.69, 117.92 ppm):
    1 diagonal assignment:
    *     HN    TRP   87 - HN    TRP   87  (1.00)  kept
 
    Peak 82 (7.88, 7.88, 117.58 ppm):
    1 diagonal assignment:
    *     HN    LYS+  38 - HN    LYS+  38  (1.00)  kept
 
    Peak 83 (7.27, 7.27, 117.25 ppm):
    1 diagonal assignment:
    *     HN    LYS+  66 - HN    LYS+  66  (1.00)  kept
 
    Peak 84 (8.46, 8.46, 117.19 ppm):
    1 diagonal assignment:
    *     HN    THR   46 - HN    THR   46  (1.00)  kept
 
    Peak 85 (7.72, 7.72, 117.18 ppm):
    1 diagonal assignment:
    *     HN    ALA   61 - HN    ALA   61  (1.00)  kept
 
    Peak 86 (8.17, 8.17, 116.99 ppm):
    1 diagonal assignment:
    *     HN    GLN  116 - HN    GLN  116  (1.00)  kept
 
    Peak 87 (6.63, 6.63, 116.57 ppm):
    1 diagonal assignment:
    *     HN    TRP   49 - HN    TRP   49  (1.00)  kept
 
    Peak 88 (7.51, 7.51, 116.39 ppm):
    1 diagonal assignment:
    *     HN    LYS+ 121 - HN    LYS+ 121  (0.80)  kept
 
    Peak 89 (8.12, 8.12, 116.43 ppm):
    1 diagonal assignment:
    *     HN    THR   26 - HN    THR   26  (1.00)  kept
 
    Peak 90 (7.80, 7.80, 116.22 ppm):
    1 diagonal assignment:
    *     HN    ASP- 105 - HN    ASP- 105  (1.00)  kept
 
    Peak 91 (7.69, 7.69, 115.83 ppm):
    1 diagonal assignment:
    *     HN    GLN   17 - HN    GLN   17  (1.00)  kept
 
    Peak 92 (8.80, 8.80, 115.33 ppm):
    1 diagonal assignment:
    *     HN    ASN   28 - HN    ASN   28  (1.00)  kept
 
    Peak 93 (8.03, 8.03, 115.19 ppm):
    1 diagonal assignment:
    *     HN    THR   94 - HN    THR   94  (1.00)  kept
 
    Peak 94 (8.66, 8.66, 115.11 ppm):
    1 diagonal assignment:
    *     HN    SER  117 - HN    SER  117  (1.00)  kept
 
    Peak 95 (7.59, 7.59, 115.08 ppm):
    2 diagonal assignments:
    *     HN    ILE   56 - HN    ILE   56  (1.00)  kept
          HZ2   TRP   87 - HZ2   TRP   87  (0.01)  kept
 
    Peak 96 (8.60, 8.60, 114.88 ppm):
    1 diagonal assignment:
    *     HN    GLY  109 - HN    GLY  109  (0.75)  kept
 
    Peak 97 (6.90, 6.90, 114.80 ppm):
    1 diagonal assignment:
    *     HN    LYS+  65 - HN    LYS+  65  (0.69)  kept
 
    Peak 98 (8.82, 8.82, 114.58 ppm):
    1 diagonal assignment:
    *     HN    ASN   69 - HN    ASN   69  (1.00)  kept
 
    Peak 99 (8.24, 8.24, 114.58 ppm):
    1 diagonal assignment:
    *     HN    SER   13 - HN    SER   13  (1.00)  kept
 
    Peak 100 (7.75, 7.75, 114.55 ppm):
    1 diagonal assignment:
    *     HN    THR   39 - HN    THR   39  (1.00)  kept
 
    Peak 101 (8.64, 8.64, 114.33 ppm):
    1 diagonal assignment:
    *     HN    SER   82 - HN    SER   82  (1.00)  kept
 
    Peak 102 (7.24, 7.24, 114.00 ppm):
    1 diagonal assignment:
    *     HN    HIS  122 - HN    HIS  122  (0.31)  kept
 
    Peak 103 (7.68, 7.68, 113.30 ppm):
    1 diagonal assignment:
    *     HD21  ASN   69 - HD21  ASN   69  (0.56)  kept
 
    Peak 104 (6.66, 6.66, 113.30 ppm):
    1 diagonal assignment:
    *     HD22  ASN   69 - HD22  ASN   69  (0.56)  kept
 
    Peak 105 (7.45, 7.45, 112.50 ppm):
    1 diagonal assignment:
    *     HE21  GLN   17 - HE21  GLN   17  (0.71)  kept
 
    Peak 106 (6.81, 6.81, 112.50 ppm):
    2 diagonal assignments:
    *     HE22  GLN   17 - HE22  GLN   17  (0.71)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.31)  kept
 
    Peak 107 (7.57, 7.57, 112.27 ppm):
    1 diagonal assignment:
    *     HE21  GLN   32 - HE21  GLN   32  (1.00)  kept
 
    Peak 108 (6.80, 6.80, 112.28 ppm):
    3 diagonal assignments:
    *     HE22  GLN   32 - HE22  GLN   32  (1.00)  kept
          HE22  GLN   90 - HE22  GLN   90  (0.37)  kept
          HE22  GLN   17 - HE22  GLN   17  (0.09)  kept
 
    Peak 109 (7.91, 7.91, 112.05 ppm):
    1 diagonal assignment:
    *     HN    SER   37 - HN    SER   37  (1.00)  kept
 
    Peak 110 (7.39, 7.39, 112.01 ppm):
    1 diagonal assignment:
    *     HE21  GLN   90 - HE21  GLN   90  (1.00)  kept
 
    Peak 111 (6.80, 6.80, 112.00 ppm):
    2 diagonal assignments:
    *     HE22  GLN   90 - HE22  GLN   90  (1.00)  kept
          HE22  GLN   32 - HE22  GLN   32  (0.38)  kept
 
    Peak 112 (7.61, 7.61, 111.81 ppm):
    1 diagonal assignment:
    *     HD21  ASN   28 - HD21  ASN   28  (1.00)  kept
 
    Peak 113 (6.97, 6.97, 111.81 ppm):
    1 diagonal assignment:
    *     HD22  ASN   28 - HD22  ASN   28  (1.00)  kept
 
    Peak 114 (7.18, 7.18, 111.61 ppm):
    1 diagonal assignment:
    *     HE21  GLN   30 - HE21  GLN   30  (1.00)  kept
 
    Peak 115 (8.05, 8.05, 111.48 ppm):
    1 diagonal assignment:
    *     HN    SER   85 - HN    SER   85  (1.00)  kept
 
    Peak 116 (7.41, 7.41, 111.00 ppm):
    1 diagonal assignment:
    *     HE21  GLN  116 - HE21  GLN  116  (1.00)  kept
 
    Peak 117 (6.83, 6.83, 111.00 ppm):
    1 diagonal assignment:
    *     HE22  GLN  116 - HE22  GLN  116  (1.00)  kept
 
    Peak 118 (8.66, 8.66, 110.73 ppm):
    1 diagonal assignment:
    *     HN    GLY   16 - HN    GLY   16  (0.96)  kept
 
    Peak 119 (8.09, 8.09, 110.83 ppm):
    1 diagonal assignment:
    *     HN    CYS   53 - HN    CYS   53  (1.00)  kept
 
    Peak 120 (7.37, 7.37, 110.13 ppm):
    1 diagonal assignment:
    *     HD21  ASN   35 - HD21  ASN   35  (1.00)  kept
 
    Peak 121 (6.53, 6.53, 110.12 ppm):
    1 diagonal assignment:
    *     HD22  ASN   35 - HD22  ASN   35  (1.00)  kept
 
    Peak 122 (7.33, 7.33, 104.59 ppm):
    1 diagonal assignment:
    *     HN    THR   23 - HN    THR   23  (1.00)  kept
 
    Peak 123 (8.85, 8.85, 104.25 ppm):
    1 diagonal assignment:
    *     HN    GLY  101 - HN    GLY  101  (1.00)  kept
 
    Peak 124 (6.64, 6.64, 111.61 ppm):
    1 diagonal assignment:
    *     HE22  GLN   30 - HE22  GLN   30  (1.00)  kept
 
    Peak 125 (8.18, 8.18, 120.93 ppm):
    3 diagonal assignments:
    *     HN    PHE   60 - HN    PHE   60  (0.98)  kept
          HN    THR  118 - HN    THR  118  (0.77)  kept
          HN    GLU-  15 - HN    GLU-  15  (0.16)  kept
 
    Peak 126 (7.87, 7.87, 121.30 ppm):
    2 diagonal assignments:
    *     HN    ARG+  54 - HN    ARG+  54  (0.89)  kept
          HN    ASP-  62 - HN    ASP-  62  (0.11)  kept
 
    Peak 127 (8.09, 8.09, 121.65 ppm):
    2 diagonal assignments:
    *     HN    LEU   80 - HN    LEU   80  (0.89)  kept
          HN    ALA   34 - HN    ALA   34  (0.68)  kept
 
    Peak 129 (7.85, 7.85, 118.81 ppm):
    2 diagonal assignments:
    *     HN    LEU   31 - HN    LEU   31  (0.93)  kept
          HN    PHE   55 - HN    PHE   55  (0.26)  kept
 
    Peak 130 (8.27, 8.27, 122.56 ppm):
    1 diagonal assignment:
    *     HN    VAL   18 - HN    VAL   18  (0.93)  kept
 
    Peak 131 (8.20, 8.20, 120.98 ppm):
    3 diagonal assignments:
    *     HN    GLU-  15 - HN    GLU-  15  (1.00)  kept
          HN    PHE   60 - HN    PHE   60  (0.23)  kept
          HN    THR  118 - HN    THR  118  (0.07)  kept
 
    Peak 134 (9.57, 9.57, 121.38 ppm):
    1 diagonal assignment:
    *     HN    GLY   51 - HN    GLY   51  (1.00)  kept
 
    Peak 268 (8.43, 8.43, 117.70 ppm):
    1 diagonal assignment:
    *     HN    ASP- 113 - HN    ASP- 113  (0.85)  kept
 
    Peak 269 (4.29, 8.48, 122.27 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.36, residual support = 45.6:
      O   HA    MET   11 - HN    MET   11   2.77 +/- 0.20  97.643% * 96.0192% (0.95   3.36  45.58) =  99.989%  kept
          HA    ALA   12 - HN    MET   11   5.46 +/- 0.51   2.253% *  0.4381% (0.73   0.02  12.29) =   0.011%
          HA    GLU-  14 - HN    MET   11  10.54 +/- 1.35   0.103% *  0.3660% (0.61   0.02   0.02) =   0.000%
          HA    THR   39 - HN    MET   11  22.62 +/- 3.67   0.001% *  0.1862% (0.31   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    MET   11  29.10 +/- 2.54   0.000% *  0.5570% (0.92   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    MET   11  31.47 +/- 3.00   0.000% *  0.4611% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    MET   11  31.57 +/- 4.03   0.000% *  0.2265% (0.38   0.02   0.02) =   0.000%
          HB    THR   77 - HN    MET   11  35.10 +/- 3.25   0.000% *  0.5234% (0.87   0.02   0.02) =   0.000%
          HA    SER   85 - HN    MET   11  39.41 +/- 3.76   0.000% *  0.5234% (0.87   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    MET   11  32.13 +/- 3.10   0.000% *  0.1505% (0.25   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    MET   11  39.63 +/- 3.61   0.000% *  0.4145% (0.69   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    MET   11  37.55 +/- 3.44   0.000% *  0.1343% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.571, support = 2.79, residual support = 12.4:
      O   HA    ALA   12 - HN    ALA   12   2.56 +/- 0.29  53.437% * 58.8590% (0.71   2.38  12.45) =  63.380%  kept
      O   HA    MET   11 - HN    ALA   12   2.61 +/- 0.10  46.486% * 39.0924% (0.32   3.49  12.29) =  36.619%  kept
          HA    GLU-  14 - HN    ALA   12   7.99 +/- 0.78   0.077% *  0.4982% (0.72   0.02   0.02) =   0.001%
          HA    LEU  104 - HN    ALA   12  29.98 +/- 2.49   0.000% *  0.3816% (0.55   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   12  26.84 +/- 1.50   0.000% *  0.2053% (0.30   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   12  29.33 +/- 2.42   0.000% *  0.1245% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   12  37.94 +/- 2.21   0.000% *  0.4982% (0.72   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   12  33.12 +/- 1.97   0.000% *  0.1703% (0.25   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   12  37.72 +/- 2.27   0.000% *  0.1703% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 271 (4.33, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.137, support = 1.71, residual support = 5.2:
      O   HA    ALA   12 - HN    SER   13   2.48 +/- 0.14  97.390% * 39.7862% (0.14   1.72   5.14) =  96.570%  kept
          HA    GLU-  14 - HN    SER   13   4.61 +/- 0.38   2.610% * 52.7378% (0.20   1.56   6.81) =   3.430%  kept
          HA    PHE   59 - HN    SER   13  23.67 +/- 1.07   0.000% *  1.7987% (0.53   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    SER   13  28.30 +/- 1.82   0.000% *  1.7987% (0.53   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    SER   13  36.90 +/- 1.50   0.000% *  3.3511% (0.98   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    SER   13  35.91 +/- 1.61   0.000% *  0.5275% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 7.75:
      O   QB    SER   13 - HN    SER   13   2.93 +/- 0.34  99.987% * 95.3807% (0.87   2.06   7.75) = 100.000%  kept
          HB3   SER   37 - HN    SER   13  17.31 +/- 2.77   0.006% *  1.0481% (0.98   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   13  17.40 +/- 2.75   0.006% *  0.9589% (0.90   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   13  27.95 +/- 0.91   0.000% *  0.9589% (0.90   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   13  29.54 +/- 1.73   0.000% *  0.6054% (0.57   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   13  33.99 +/- 1.42   0.000% *  1.0481% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 273 (4.43, 8.27, 122.56 ppm):
    9 chemical-shift based assignments, quality = 0.806, support = 5.47, residual support = 51.0:
      O   HA    GLN   17 - HN    VAL   18   2.42 +/- 0.01  99.826% * 98.3719% (0.81   5.47  51.04) = 100.000%  kept
          HA    GLU-  15 - HN    VAL   18   7.30 +/- 0.12   0.134% *  0.1073% (0.24   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    VAL   18  11.05 +/- 0.38   0.011% *  0.3973% (0.89   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   18  10.07 +/- 0.65   0.021% *  0.0958% (0.21   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   18  14.03 +/- 0.58   0.003% *  0.3289% (0.74   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   18  13.86 +/- 0.65   0.003% *  0.1073% (0.24   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   18  15.79 +/- 0.63   0.001% *  0.1468% (0.33   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   18  18.42 +/- 0.61   0.001% *  0.3595% (0.81   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   18  20.98 +/- 0.59   0.000% *  0.0852% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 5.72, residual support = 78.2:
      O   HA    VAL   18 - HN    VAL   18   2.85 +/- 0.02  99.239% * 96.1728% (0.36   5.72  78.25) =  99.997%  kept
          HA1   GLY   16 - HN    VAL   18   6.49 +/- 0.02   0.717% *  0.4019% (0.43   0.02   0.02) =   0.003%
          HA    VAL   70 - HN    VAL   18  10.87 +/- 0.30   0.033% *  0.7775% (0.84   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    VAL   18  16.16 +/- 0.60   0.003% *  0.7177% (0.77   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   18  17.20 +/- 0.82   0.002% *  0.7775% (0.84   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   18  16.33 +/- 0.49   0.003% *  0.5075% (0.55   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   18  17.29 +/- 0.42   0.002% *  0.3685% (0.40   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   18  21.92 +/- 0.61   0.000% *  0.2767% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 275 (4.41, 8.32, 122.30 ppm):
    10 chemical-shift based assignments, quality = 0.672, support = 2.12, residual support = 6.81:
      O   HA    SER   13 - HN    GLU-  14   2.55 +/- 0.21  99.051% * 94.8261% (0.67   2.12   6.81) =  99.991%  kept
          HA    GLU-  15 - HN    GLU-  14   5.72 +/- 0.27   0.926% *  0.8958% (0.67   0.02   1.36) =   0.009%
          HA    GLN   17 - HN    GLU-  14  10.81 +/- 0.39   0.019% *  0.6740% (0.51   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLU-  14  16.79 +/- 2.13   0.002% *  0.6740% (0.51   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLU-  14  19.26 +/- 1.47   0.001% *  0.7753% (0.58   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  14  21.17 +/- 1.11   0.000% *  0.8780% (0.66   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLU-  14  19.54 +/- 1.02   0.001% *  0.1837% (0.14   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  14  25.04 +/- 1.34   0.000% *  0.7432% (0.56   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  14  24.31 +/- 1.13   0.000% *  0.2066% (0.16   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  14  25.30 +/- 0.92   0.000% *  0.1432% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 276 (7.72, 8.66, 110.73 ppm):
    6 chemical-shift based assignments, quality = 0.132, support = 4.26, residual support = 18.4:
          HN    GLN   17 - HN    GLY   16   2.34 +/- 0.09  99.991% * 88.5717% (0.13   4.26  18.35) = 100.000%  kept
          HN    ALA   61 - HN    GLY   16  12.49 +/- 0.61   0.005% *  3.0445% (0.97   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLY   16  13.27 +/- 1.34   0.004% *  0.4739% (0.15   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLY   16  17.18 +/- 0.73   0.001% *  2.1100% (0.67   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLY   16  26.58 +/- 0.48   0.000% *  2.9644% (0.94   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLY   16  29.95 +/- 0.87   0.000% *  2.8355% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 277 (8.66, 7.69, 115.83 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 4.26, residual support = 18.4:
        T HN    GLY   16 - HN    GLN   17   2.34 +/- 0.09 100.000% * 99.3165% (1.00   4.26  18.35) = 100.000%  kept
          HN    SER  117 - HN    GLN   17  21.88 +/- 0.47   0.000% *  0.4190% (0.90   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN   17  23.48 +/- 0.40   0.000% *  0.2645% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.502, support = 2.58, residual support = 8.11:
      O   HA    GLU-  15 - HN    GLY   16   2.63 +/- 0.17  97.428% * 29.6411% (0.47   2.56   7.51) =  94.439%  kept
          HA    GLN   17 - HN    GLY   16   4.90 +/- 0.07   2.484% * 68.4376% (0.97   2.90  18.35) =   5.560%  kept
          HA    SER   13 - HN    GLY   16   9.12 +/- 0.46   0.065% *  0.2314% (0.47   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLY   16  13.09 +/- 0.95   0.007% *  0.3266% (0.67   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLY   16  14.63 +/- 1.32   0.004% *  0.4712% (0.97   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLY   16  13.44 +/- 1.18   0.007% *  0.1467% (0.30   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLY   16  15.08 +/- 0.69   0.003% *  0.2132% (0.44   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLY   16  20.10 +/- 0.54   0.001% *  0.4588% (0.94   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLY   16  21.47 +/- 0.62   0.000% *  0.0734% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.0197, residual support = 0.0197:
          HA    VAL   18 - HN    GLY   16   6.54 +/- 0.10  73.919% * 12.6997% (0.90   0.02   0.02) =  84.850%  kept
          HA    VAL   70 - HN    GLY   16   8.14 +/- 1.11  24.520% *  6.1679% (0.44   0.02   0.02) =  13.670%  kept
          HA    LYS+  33 - HN    GLY   16  13.85 +/- 1.38   0.908% * 10.5138% (0.75   0.02   0.02) =   0.863%
          HA    GLU-  29 - HN    GLY   16  16.92 +/- 1.04   0.245% * 12.3380% (0.87   0.02   0.02) =   0.274%
          HA    GLN   32 - HN    GLY   16  17.31 +/- 1.30   0.218% *  9.4500% (0.67   0.02   0.02) =   0.186%
          HA    SER   48 - HN    GLY   16  21.67 +/- 1.04   0.058% * 12.6997% (0.90   0.02   0.02) =   0.067%
          HA    GLN  116 - HN    GLY   16  20.39 +/- 0.68   0.084% *  6.1679% (0.44   0.02   0.02) =   0.047%
          HB2   SER   82 - HN    GLY   16  25.39 +/- 0.94   0.021% * 13.2768% (0.94   0.02   0.02) =   0.025%
          HD2   PRO   52 - HN    GLY   16  26.02 +/- 1.11   0.019% *  6.6964% (0.47   0.02   0.02) =   0.011%
          HA    ALA   88 - HN    GLY   16  30.10 +/- 0.53   0.008% *  9.9899% (0.71   0.02   0.02) =   0.007%
    Distance limit 3.49 A violated in 20 structures by 2.71 A, eliminated.
    Peak unassigned.
 
    Peak 280 (4.42, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.943, support = 4.99, residual support = 76.1:
      O   HA    GLN   17 - HN    GLN   17   2.89 +/- 0.00  65.440% * 82.3761% (0.99   5.29  84.03) =  90.526%  kept
          HA    GLU-  15 - HN    GLN   17   3.22 +/- 0.09  34.495% * 16.3538% (0.49   2.14   0.64) =   9.473%  kept
          HA    SER   13 - HN    GLN   17  10.12 +/- 0.46   0.037% *  0.1530% (0.49   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLN   17  12.46 +/- 0.71   0.011% *  0.2159% (0.69   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLN   17  13.46 +/- 0.70   0.007% *  0.1409% (0.45   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLN   17  15.92 +/- 1.05   0.003% *  0.3115% (0.99   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLN   17  13.92 +/- 0.87   0.006% *  0.0970% (0.31   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLN   17  18.11 +/- 0.52   0.001% *  0.3033% (0.97   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   17  19.68 +/- 0.64   0.001% *  0.0485% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 84.0:
      O T HE21  GLN   17 - HE22  GLN   17   1.73 +/- 0.00 100.000% * 93.1582% (0.70   1.00  84.03) = 100.000%  kept
          HN    LEU  123 - HE22  GLN   17  22.86 +/- 0.81   0.000% *  1.6306% (0.61   0.02   0.02) =   0.000%
        T HE21  GLN   17 - HE22  GLN   32  23.50 +/- 2.15   0.000% *  1.0716% (0.40   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   17  25.27 +/- 0.86   0.000% *  1.7782% (0.67   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   17  23.41 +/- 0.95   0.000% *  0.2544% (0.10   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   32  29.30 +/- 1.06   0.000% *  0.9379% (0.35   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   32  31.77 +/- 1.05   0.000% *  1.0228% (0.38   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   32  31.39 +/- 1.01   0.000% *  0.1463% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.51 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 = 84.0:
      O   HE22  GLN   17 - HE21  GLN   17   1.73 +/- 0.00 100.000% * 95.1713% (0.63   1.00  84.03) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN   17  18.85 +/- 0.83   0.000% *  1.4579% (0.48   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   17  21.83 +/- 1.63   0.000% *  1.5412% (0.51   0.02   0.02) =   0.000%
          HE22  GLN   32 - HE21  GLN   17  23.50 +/- 2.15   0.000% *  1.0331% (0.34   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   17  29.17 +/- 2.00   0.000% *  0.7966% (0.26   0.02   0.02) =   0.000%
    Distance limit 2.43 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 = 0.313, support = 3.55, residual support = 25.3:
      O   HA1   GLY   16 - HN    GLN   17   3.14 +/- 0.04  92.125% * 22.9219% (0.22   3.47  18.35) =  78.812%  kept
          HA    VAL   18 - HN    GLN   17   4.76 +/- 0.04   7.648% * 74.2095% (0.65   3.87  51.04) =  21.184%  kept
          HA    VAL   70 - HN    GLN   17   9.09 +/- 0.82   0.192% *  0.5923% (1.00   0.02   0.02) =   0.004%
          HA    LYS+  33 - HN    GLN   17  14.46 +/- 1.08   0.011% *  0.4958% (0.84   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN   17  13.63 +/- 1.05   0.016% *  0.3123% (0.53   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN   17  16.67 +/- 0.81   0.004% *  0.4077% (0.69   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   17  19.58 +/- 0.67   0.002% *  0.5923% (1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   17  19.41 +/- 1.05   0.002% *  0.1322% (0.22   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   17  24.00 +/- 0.73   0.000% *  0.3361% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 288 (5.57, 8.93, 131.32 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 2.54, residual support = 5.23:
          HA    LEU   73 - HN    ILE   19   2.56 +/- 0.39 100.000% *100.0000% (0.87   2.54   5.23) = 100.000%  kept
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 289 (4.01, 8.93, 131.32 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.84, residual support = 22.4:
      O   HA    VAL   18 - HN    ILE   19   2.24 +/- 0.03  99.938% * 96.8740% (0.65   4.84  22.37) = 100.000%  kept
          HA    VAL   70 - HN    ILE   19   9.49 +/- 0.25   0.018% *  0.6170% (1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    ILE   19   8.51 +/- 0.29   0.034% *  0.1377% (0.22   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   19  12.44 +/- 0.26   0.003% *  0.5165% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   19  12.88 +/- 0.36   0.003% *  0.4248% (0.69   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    ILE   19  13.25 +/- 0.57   0.002% *  0.3253% (0.53   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   19  19.14 +/- 0.57   0.000% *  0.6170% (1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   19  15.59 +/- 0.80   0.001% *  0.1377% (0.22   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   19  18.26 +/- 0.57   0.000% *  0.3501% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 6.6, residual support = 170.4:
      O   HA    ILE   19 - HN    ILE   19   2.87 +/- 0.01  99.966% * 99.1177% (0.87   6.60 170.43) = 100.000%  kept
          HA    THR   26 - HN    ILE   19  11.55 +/- 0.32   0.024% *  0.1822% (0.53   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ILE   19  15.51 +/- 0.70   0.004% *  0.3456% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ILE   19  15.13 +/- 0.25   0.005% *  0.2240% (0.65   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ILE   19  20.02 +/- 0.28   0.001% *  0.0534% (0.15   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ILE   19  21.96 +/- 0.48   0.001% *  0.0771% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 25.4:
      O   HA    ILE   19 - HN    ALA   20   2.21 +/- 0.01  99.984% * 98.9673% (0.97   5.05  25.43) = 100.000%  kept
          HA    THR   26 - HN    ALA   20   9.86 +/- 0.32   0.013% *  0.1525% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ALA   20  13.63 +/- 0.22   0.002% *  0.3255% (0.80   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ALA   20  15.92 +/- 0.71   0.001% *  0.3984% (0.98   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   20  18.35 +/- 0.20   0.000% *  0.1013% (0.25   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   20  25.03 +/- 0.46   0.000% *  0.0550% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 292 (4.63, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.14, residual support = 15.2:
      O   HA    ALA   20 - HN    ALA   20   2.90 +/- 0.01  99.922% * 99.6543% (0.97   3.14  15.23) = 100.000%  kept
          HA    LEU   71 - HN    ALA   20   9.58 +/- 0.25   0.078% *  0.3457% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 3.74, residual support = 10.0:
        T HN    LYS+  74 - HN    CYS   21   2.50 +/- 0.16  99.871% * 97.4953% (0.76   3.74  10.03) =  99.999%  kept
          HN    THR   46 - HN    CYS   21   8.04 +/- 0.30   0.098% *  0.6822% (1.00   0.02   0.02) =   0.001%
          HN    MET   92 - HN    CYS   21  14.11 +/- 2.06   0.005% *  0.6453% (0.95   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    ILE  119  10.17 +/- 0.15   0.024% *  0.0538% (0.08   0.02   0.02) =   0.000%
          HN    THR   46 - HN    ILE  119  17.49 +/- 0.33   0.001% *  0.2156% (0.32   0.02   0.02) =   0.000%
          HN    MET   92 - HN    ILE  119  18.44 +/- 0.30   0.001% *  0.2039% (0.30   0.02   0.02) =   0.000%
        T HN    LYS+  74 - HN    ILE  119  18.30 +/- 0.32   0.001% *  0.1647% (0.24   0.02   0.02) =   0.000%
          HN    MET   11 - HN    CYS   21  23.61 +/- 3.11   0.000% *  0.2805% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    CYS   21  21.30 +/- 0.51   0.000% *  0.1701% (0.25   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE  119  32.32 +/- 2.55   0.000% *  0.0886% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (4.62, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.99, residual support = 14.4:
      O   HA    ALA   20 - HN    CYS   21   2.21 +/- 0.01  99.992% * 99.2686% (0.95   2.99  14.45) = 100.000%  kept
          HA    LEU   71 - HN    CYS   21  10.84 +/- 0.25   0.007% *  0.1564% (0.22   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   21  20.12 +/- 0.57   0.000% *  0.2397% (0.34   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  119  20.18 +/- 0.46   0.000% *  0.2100% (0.30   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ILE  119  17.25 +/- 0.40   0.000% *  0.0494% (0.07   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    ILE  119  18.66 +/- 0.25   0.000% *  0.0757% (0.11   0.02   0.02) =   0.000%
    Distance limit 2.99 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   2.83 +/- 0.01  99.990% * 98.9886% (0.83   3.84  41.03) = 100.000%  kept
          HA    SER  117 - HN    ASP-  62  13.29 +/- 0.39   0.009% *  0.3881% (0.63   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ASP-  62  22.12 +/- 0.42   0.000% *  0.5297% (0.85   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ASP-  62  27.60 +/- 0.36   0.000% *  0.0936% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 6.44:
          HA    PHE   59 - HN    ASP-  62   3.69 +/- 0.14  98.648% * 92.4913% (0.52   1.50   6.44) =  99.982%  kept
          HA    ILE   56 - HN    ASP-  62   7.65 +/- 0.12   1.257% *  1.2332% (0.52   0.02   0.02) =   0.017%
          HA    ASP- 113 - HN    ASP-  62  14.00 +/- 0.43   0.034% *  2.0287% (0.86   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    ASP-  62  13.14 +/- 0.56   0.051% *  0.9897% (0.42   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    ASP-  62  18.39 +/- 0.30   0.007% *  1.6281% (0.69   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP-  62  22.35 +/- 0.59   0.002% *  1.3153% (0.56   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP-  62  27.28 +/- 0.27   0.001% *  0.3137% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 297 (7.32, 9.10, 120.75 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 3.34, residual support = 23.8:
          HN    THR   23 - HN    HIS   22   2.00 +/- 0.12  99.855% * 97.2846% (0.69   3.34  23.76) =  99.999%  kept
          HE3   TRP   27 - HN    HIS   22   6.14 +/- 0.43   0.131% *  0.8452% (1.00   0.02   0.02) =   0.001%
          HN    LYS+  81 - HN    HIS   22   8.89 +/- 0.29   0.014% *  0.1484% (0.18   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    HIS   22  15.13 +/- 0.58   0.001% *  0.6151% (0.73   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    HIS   22  20.91 +/- 0.67   0.000% *  0.8452% (1.00   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    HIS   22  19.83 +/- 0.33   0.000% *  0.2615% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 298 (4.62, 9.10, 120.75 ppm):
    3 chemical-shift based assignments, quality = 0.945, support = 0.02, residual support = 5.34:
          HA    ALA   20 - HN    HIS   22   5.63 +/- 0.07  99.546% * 62.6587% (0.95   0.02   5.34) =  99.890%  kept
          HA    LEU   71 - HN    HIS   22  13.97 +/- 0.26   0.430% * 14.7469% (0.22   0.02   0.02) =   0.102%
          HA    LYS+ 102 - HN    HIS   22  22.59 +/- 0.64   0.024% * 22.5944% (0.34   0.02   0.02) =   0.009%
    Distance limit 3.88 A violated in 20 structures by 1.75 A, eliminated.
    Peak unassigned.
 
    Peak 299 (8.11, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.658, support = 3.7, residual support = 13.1:
        T HN    THR   26 - HN    THR   23   4.24 +/- 0.06  75.934% * 77.0833% (0.69   3.84  13.89) =  91.578%  kept
          HN    LEU   80 - HN    THR   23   5.15 +/- 0.17  23.988% * 22.4395% (0.34   2.25   4.93) =   8.422%  kept
          HN    ALA   34 - HN    THR   23  13.63 +/- 0.20   0.069% *  0.1459% (0.25   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    THR   23  19.20 +/- 0.46   0.009% *  0.3312% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 300 (9.10, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.34, residual support = 23.8:
        T HN    HIS   22 - HN    THR   23   2.00 +/- 0.12  99.915% * 99.4324% (0.99   3.34  23.76) = 100.000%  kept
          HN    ASP-  76 - HN    THR   23   6.63 +/- 0.33   0.085% *  0.5676% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 301 (8.78, 9.21, 123.27 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 7.8, residual support = 37.1:
        T HN    GLU-  25 - HN    VAL   24   2.54 +/- 0.10  99.143% * 99.6345% (0.98   7.80  37.07) =  99.999%  kept
          HN    ASN   28 - HN    VAL   24   5.63 +/- 0.15   0.854% *  0.1072% (0.41   0.02  15.19) =   0.001%
          HN    ASP-  44 - HN    VAL   24  14.12 +/- 0.51   0.004% *  0.2583% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 302 (9.21, 8.78, 120.28 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 7.8, residual support = 37.1:
        T HN    VAL   24 - HN    GLU-  25   2.54 +/- 0.10 100.000% *100.0000% (1.00   7.80  37.07) = 100.000%  kept
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 303 (8.12, 8.78, 120.28 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.31, residual support = 27.3:
        T HN    THR   26 - HN    GLU-  25   2.83 +/- 0.06  99.999% * 99.9398% (0.97   5.31  27.26) = 100.000%  kept
          HN    LEU   71 - HN    GLU-  25  18.64 +/- 0.33   0.001% *  0.0602% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 304 (8.78, 8.12, 116.43 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.31, residual support = 27.3:
        T HN    GLU-  25 - HN    THR   26   2.83 +/- 0.06  91.913% * 99.4640% (0.98   5.31  27.26) =  99.986%  kept
          HN    ASN   28 - HN    THR   26   4.28 +/- 0.15   8.082% *  0.1572% (0.41   0.02   0.11) =   0.014%
          HN    ASP-  44 - HN    THR   26  14.41 +/- 0.31   0.005% *  0.3789% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 4.4, residual support = 19.8:
          HN    TRP   27 - HN    THR   26   2.52 +/- 0.04  99.993% * 98.4343% (0.99   4.40  19.83) = 100.000%  kept
          HD1   TRP   87 - HN    THR   26  15.21 +/- 0.81   0.002% *  0.2741% (0.61   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    THR   26  14.81 +/- 0.12   0.002% *  0.1127% (0.25   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR   26  18.54 +/- 0.36   0.001% *  0.2924% (0.65   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR   26  19.93 +/- 0.50   0.000% *  0.3454% (0.76   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR   26  19.09 +/- 1.00   0.001% *  0.1696% (0.38   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    THR   26  21.35 +/- 0.47   0.000% *  0.3104% (0.69   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    THR   26  21.17 +/- 1.10   0.000% *  0.0612% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 306 (7.34, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.84, residual support = 13.9:
          HN    THR   23 - HN    THR   26   4.24 +/- 0.06  95.172% * 97.8267% (0.97   3.84  13.89) =  99.987%  kept
          HE3   TRP   27 - HN    THR   26   7.45 +/- 0.19   3.295% *  0.2573% (0.49   0.02  19.83) =   0.009%
          HD2   HIS   22 - HN    THR   26   8.57 +/- 0.35   1.452% *  0.2369% (0.45   0.02   0.02) =   0.004%
          QE    PHE   95 - HN    THR   26  18.77 +/- 0.61   0.013% *  0.5000% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    THR   26  14.95 +/- 0.82   0.052% *  0.0715% (0.14   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    THR   26  20.29 +/- 1.95   0.009% *  0.3206% (0.61   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    THR   26  22.67 +/- 0.36   0.004% *  0.4879% (0.92   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    THR   26  25.22 +/- 0.65   0.002% *  0.2992% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 307 (7.32, 7.73, 123.24 ppm):
    12 chemical-shift based assignments, quality = 0.78, support = 3.71, residual support = 30.0:
          HN    THR   23 - HN    TRP   27   3.79 +/- 0.18  83.897% * 30.2192% (0.69   3.16   2.37) =  70.135%  kept
          HE3   TRP   27 - HN    TRP   27   5.04 +/- 0.15  15.639% * 69.0332% (1.00   4.98  94.76) =  29.865%  kept
          HN    LYS+  81 - HN    TRP   27  10.03 +/- 0.33   0.258% *  0.0487% (0.18   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    TRP   27  16.81 +/- 0.63   0.012% *  0.2019% (0.73   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    ALA   91  13.03 +/- 0.42   0.053% *  0.0249% (0.09   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   91  14.12 +/- 0.98   0.037% *  0.0343% (0.12   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    ALA   91  15.75 +/- 0.58   0.017% *  0.0343% (0.12   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   27  23.57 +/- 0.64   0.002% *  0.2774% (1.00   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   91  12.44 +/- 0.27   0.069% *  0.0060% (0.02   0.02   0.02) =   0.000%
          HN    THR   23 - HN    ALA   91  16.46 +/- 0.39   0.013% *  0.0236% (0.08   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   27  20.81 +/- 0.31   0.003% *  0.0858% (0.31   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    ALA   91  25.14 +/- 0.59   0.001% *  0.0106% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 308 (8.12, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.4, residual support = 19.8:
        T HN    THR   26 - HN    TRP   27   2.52 +/- 0.04  99.997% * 99.8622% (0.97   4.40  19.83) = 100.000%  kept
          HN    LEU   71 - HN    TRP   27  14.84 +/- 0.25   0.002% *  0.0727% (0.15   0.02   0.02) =   0.000%
        T HN    THR   26 - HN    ALA   91  19.93 +/- 0.50   0.000% *  0.0561% (0.12   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ALA   91  23.90 +/- 0.85   0.000% *  0.0090% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 6.82, residual support = 33.4:
        T HN    GLN   90 - HN    ALA   91   1.99 +/- 0.19  99.983% * 93.1960% (0.12   6.82  33.38) = 100.000%  kept
          HN    SER   82 - HN    TRP   27   9.58 +/- 0.33   0.010% *  0.5204% (0.22   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    ALA   91  10.34 +/- 0.95   0.005% *  0.1520% (0.07   0.02   0.02) =   0.000%
        T HN    GLN   90 - HN    TRP   27  17.71 +/- 0.51   0.000% *  2.2112% (0.95   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  19.65 +/- 0.76   0.000% *  2.3375% (1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  13.16 +/- 0.14   0.001% *  0.0643% (0.03   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  21.71 +/- 0.61   0.000% *  1.2298% (0.53   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  21.72 +/- 1.42   0.000% *  0.2888% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 310 (8.80, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 5.18, residual support = 46.6:
        T HN    ASN   28 - HN    TRP   27   2.75 +/- 0.08  88.957% * 99.3986% (0.99   5.18  46.58) =  99.982%  kept
          HN    GLU-  25 - HN    TRP   27   3.91 +/- 0.20  11.021% *  0.1453% (0.38   0.02   0.02) =   0.018%
          HN    ASP-  44 - HN    TRP   27  12.16 +/- 0.34   0.012% *  0.1592% (0.41   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    ALA   91  13.33 +/- 0.57   0.007% *  0.0197% (0.05   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    TRP   27  20.62 +/- 0.31   0.001% *  0.1885% (0.49   0.02   0.02) =   0.000%
        T HN    ASN   28 - HN    ALA   91  19.25 +/- 0.73   0.001% *  0.0474% (0.12   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    ALA   91  19.09 +/- 0.60   0.001% *  0.0180% (0.05   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    ALA   91  28.22 +/- 0.70   0.000% *  0.0233% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 311 (7.18, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 2.01, residual support = 94.8:
      O   HD1   TRP   27 - HE1   TRP   27   2.64 +/- 0.00  99.762% * 96.5531% (0.76   2.01  94.76) =  99.997%  kept
          HE21  GLN   30 - HE1   TRP   27   7.82 +/- 1.35   0.236% *  1.2489% (0.99   0.02   0.02) =   0.003%
          QD    PHE   59 - HE1   TRP   27  17.49 +/- 0.57   0.001% *  0.9629% (0.76   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE1   TRP   27  19.58 +/- 1.12   0.001% *  1.2351% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 312 (6.73, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 1.2, residual support = 94.8:
      O   HZ2   TRP   27 - HE1   TRP   27   2.85 +/- 0.00  99.998% * 98.2228% (0.45   1.20  94.76) = 100.000%  kept
          HZ    PHE   72 - HE1   TRP   27  17.05 +/- 0.43   0.002% *  1.7772% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 0.975, support = 5.42, residual support = 31.2:
          HN    GLU-  29 - HN    ASN   28   2.69 +/- 0.08  92.859% * 71.7298% (0.98   5.51  31.89) =  97.098%  kept
          HN    GLN   30 - HN    ASN   28   4.17 +/- 0.17   7.132% * 27.9084% (0.80   2.62   6.56) =   2.902%  kept
          HN    ASP-  86 - HN    ASN   28  13.55 +/- 0.51   0.006% *  0.2306% (0.87   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    ASN   28  16.52 +/- 0.23   0.002% *  0.0360% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    ASN   28  19.52 +/- 1.93   0.001% *  0.0592% (0.22   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    ASN   28  21.35 +/- 2.13   0.000% *  0.0360% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 5.18, residual support = 46.6:
          HN    TRP   27 - HN    ASN   28   2.75 +/- 0.08  99.966% * 98.6682% (0.99   5.18  46.58) = 100.000%  kept
          HD1   TRP   87 - HN    ASN   28  13.45 +/- 0.89   0.008% *  0.2332% (0.61   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    ASN   28  11.70 +/- 0.10   0.017% *  0.0959% (0.25   0.02   0.02) =   0.000%
          HN    THR   39 - HN    ASN   28  15.56 +/- 0.38   0.003% *  0.2487% (0.65   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    ASN   28  16.82 +/- 1.13   0.002% *  0.1443% (0.38   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   28  19.25 +/- 0.73   0.001% *  0.2938% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    ASN   28  20.79 +/- 0.47   0.001% *  0.2641% (0.69   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    ASN   28  17.21 +/- 1.17   0.002% *  0.0520% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 315 (7.17, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.36, residual support = 46.6:
          HD1   TRP   27 - HN    ASN   28   2.94 +/- 0.31  97.711% * 98.1321% (0.41   5.36  46.58) =  99.984%  kept
          HE21  GLN   30 - HN    ASN   28   6.40 +/- 1.36   2.287% *  0.6803% (0.76   0.02   6.56) =   0.016%
          HH2   TRP   49 - HN    ASN   28  21.79 +/- 0.95   0.001% *  0.8217% (0.92   0.02   0.02) =   0.000%
          QD    PHE   59 - HN    ASN   28  19.99 +/- 0.77   0.001% *  0.3659% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 316 (6.96, 8.80, 115.33 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.39, residual support = 100.4:
          HD22  ASN   28 - HN    ASN   28   3.72 +/- 0.21  99.982% * 99.9297% (0.92   5.39 100.40) = 100.000%  kept
          QE    PHE   72 - HN    ASN   28  15.89 +/- 0.31   0.018% *  0.0703% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.80 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 = 2.31, residual support = 100.4:
      O   HD22  ASN   28 - HD21  ASN   28   1.73 +/- 0.00 100.000% * 99.6057% (0.98   2.31 100.40) = 100.000%  kept
          QE    PHE   72 - HD21  ASN   28  16.69 +/- 0.24   0.000% *  0.3943% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.41 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 = 1.38, residual support = 4.32:
          HA    GLU-  25 - HD21  ASN   28   4.19 +/- 0.09  99.448% * 96.8531% (1.00   1.38   4.32) =  99.995%  kept
          HA    SER   82 - HD21  ASN   28  10.32 +/- 0.46   0.459% *  0.7960% (0.57   0.02   0.02) =   0.004%
          HA    ILE   19 - HD21  ASN   28  13.58 +/- 0.37   0.088% *  1.3300% (0.95   0.02   0.02) =   0.001%
          HA    CYS   53 - HD21  ASN   28  21.92 +/- 0.64   0.005% *  1.0209% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 319 (4.14, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.83, support = 5.95, residual support = 97.8:
      O   HA    ASN   28 - HN    ASN   28   2.74 +/- 0.02  95.121% * 64.9062% (0.84   6.01 100.40) =  97.394%  kept
          HA    THR   26 - HN    ASN   28   4.52 +/- 0.15   4.861% * 33.9791% (0.65   4.06   0.11) =   2.606%  kept
          HA    ALA   34 - HN    ASN   28  12.17 +/- 0.23   0.012% *  0.2497% (0.97   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASN   28  14.71 +/- 1.62   0.005% *  0.2582% (1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   28  24.53 +/- 0.56   0.000% *  0.2245% (0.87   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   28  23.62 +/- 0.87   0.000% *  0.0799% (0.31   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASN   28  28.39 +/- 0.69   0.000% *  0.2448% (0.95   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   28  31.38 +/- 0.82   0.000% *  0.0576% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.917, support = 4.64, residual support = 90.3:
      O   HA    TRP   27 - HN    TRP   27   2.78 +/- 0.04  54.964% * 92.3546% (0.97   4.72  94.76) =  94.490%  kept
      O   HA    ALA   91 - HN    ALA   91   2.87 +/- 0.01  45.023% *  6.5740% (0.10   3.28  14.43) =   5.510%  kept
          HA    ALA   91 - HN    TRP   27  18.26 +/- 1.57   0.001% *  0.3248% (0.80   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  12.82 +/- 1.29   0.007% *  0.0344% (0.08   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  15.69 +/- 0.88   0.002% *  0.0324% (0.08   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  22.76 +/- 0.45   0.000% *  0.2624% (0.65   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  18.12 +/- 0.56   0.001% *  0.0484% (0.12   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.78 +/- 0.60   0.000% *  0.2787% (0.69   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    ALA   91  15.07 +/- 0.30   0.002% *  0.0099% (0.02   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    TRP   27  26.77 +/- 0.38   0.000% *  0.0803% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 321 (4.22, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.32, residual support = 19.8:
          HB    THR   26 - HN    TRP   27   3.13 +/- 0.15  99.938% * 98.6707% (0.99   3.32  19.83) = 100.000%  kept
          HA    SER   82 - HN    TRP   27  11.44 +/- 0.34   0.045% *  0.1049% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    TRP   27  23.02 +/- 0.38   0.001% *  0.5780% (0.97   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   91  13.87 +/- 0.19   0.014% *  0.0130% (0.02   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA   91  19.90 +/- 0.40   0.002% *  0.0734% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    TRP   27  29.47 +/- 0.38   0.000% *  0.4349% (0.73   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    ALA   91  23.45 +/- 0.23   0.001% *  0.0714% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   91  23.95 +/- 0.53   0.001% *  0.0537% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.39 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  24.99 +/- 0.50 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 4.36 A violated in 20 structures by 20.63 A, eliminated.
    Peak unassigned.
 
    Peak 323 (4.20, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.204, support = 4.2, residual support = 27.6:
      O   HB    THR   26 - HN    THR   26   2.01 +/- 0.04  97.175% * 17.1691% (0.15   4.05  27.70) =  87.851%  kept
      O   HA    GLU-  25 - HN    THR   26   3.63 +/- 0.00   2.819% * 81.8412% (0.57   5.26  27.26) =  12.149%  kept
          HA    SER   82 - HN    THR   26  11.71 +/- 0.50   0.003% *  0.5481% (1.00   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    THR   26  11.43 +/- 0.21   0.003% *  0.1874% (0.34   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    THR   26  22.05 +/- 0.68   0.000% *  0.0848% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   26  24.81 +/- 0.42   0.000% *  0.1695% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 0.602, support = 3.01, residual support = 6.26:
          HB    THR   23 - HN    GLU-  25   2.67 +/- 0.15  91.756% * 29.4837% (0.53   2.87   6.26) =  83.194%  kept
          HA    THR   23 - HN    GLU-  25   4.05 +/- 0.10   7.831% * 69.7713% (0.98   3.65   6.26) =  16.803%  kept
          HA    LEU   80 - HN    GLU-  25   6.70 +/- 0.27   0.410% *  0.2678% (0.69   0.02   0.02) =   0.003%
          HA    ASP-  78 - HN    GLU-  25  14.70 +/- 0.22   0.003% *  0.3688% (0.95   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    GLU-  25  25.39 +/- 0.64   0.000% *  0.1084% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 325 (4.19, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.95, residual support = 125.4:
      O   HA    GLU-  25 - HN    GLU-  25   2.75 +/- 0.03  99.919% * 99.2614% (0.87   5.95 125.36) = 100.000%  kept
          HA    SER   82 - HN    GLU-  25   9.28 +/- 0.60   0.074% *  0.3452% (0.90   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  25  13.80 +/- 0.22   0.006% *  0.2490% (0.65   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  25  22.58 +/- 0.75   0.000% *  0.1445% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.693, support = 5.05, residual support = 25.5:
      O   HA    THR   23 - HN    VAL   24   2.29 +/- 0.06  80.727% * 74.4614% (0.73   5.02  25.53) =  93.437%  kept
          HB    THR   23 - HN    VAL   24   3.03 +/- 0.20  16.919% * 24.9332% (0.22   5.48  25.53) =   6.557%  kept
          HA    LEU   80 - HN    VAL   24   4.21 +/- 0.33   2.347% *  0.1394% (0.34   0.02   9.64) =   0.005%
          HA    ASP-  78 - HN    VAL   24  12.24 +/- 0.31   0.003% *  0.3944% (0.97   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    VAL   24  12.88 +/- 0.49   0.003% *  0.0716% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 0.74, support = 3.42, residual support = 19.4:
      O   HA    THR   23 - HN    THR   23   2.91 +/- 0.03  79.060% * 31.7891% (0.61   3.11  19.40) =  65.855%  kept
      O   HB    THR   23 - HN    THR   23   3.69 +/- 0.08  19.304% * 67.4775% (1.00   4.02  19.40) =  34.132%  kept
          HA    LEU   80 - HN    THR   23   5.59 +/- 0.20   1.618% *  0.3185% (0.95   0.02   4.93) =   0.014%
          HA    ASP-  78 - HN    THR   23  11.73 +/- 0.18   0.018% *  0.1039% (0.31   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    THR   23  23.51 +/- 0.40   0.000% *  0.3109% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.715, support = 0.0197, residual support = 0.0197:
          HA    ALA   20 - HN    THR   23   7.24 +/- 0.04  98.641% * 46.5057% (0.73   0.02   0.02) =  98.440%  kept
          HA    LEU   71 - HN    THR   23  14.79 +/- 0.26   1.359% * 53.4943% (0.84   0.02   0.02) =   1.560%
    Distance limit 3.93 A violated in 20 structures by 3.31 A, eliminated.
    Peak unassigned.
 
    Peak 329 (4.22, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 2.25, residual support = 13.9:
          HB    THR   26 - HN    THR   23   3.57 +/- 0.04  99.865% * 98.3538% (0.99   2.25  13.89) = 100.000%  kept
          HA    SER   82 - HN    THR   23  10.79 +/- 0.25   0.133% *  0.1545% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   23  22.22 +/- 0.41   0.002% *  0.8513% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    THR   23  29.34 +/- 0.32   0.000% *  0.6405% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 330 (7.61, 6.97, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 2.31, residual support = 100.4:
      O   HD21  ASN   28 - HD22  ASN   28   1.73 +/- 0.00  99.991% * 98.0964% (0.98   2.31 100.40) = 100.000%  kept
          HZ2   TRP   87 - HD22  ASN   28   9.09 +/- 1.43   0.009% *  0.8585% (0.99   0.02   0.02) =   0.000%
          QE    PHE   60 - HD22  ASN   28  14.40 +/- 0.33   0.000% *  0.4216% (0.49   0.02   0.02) =   0.000%
          HN    LEU   63 - HD22  ASN   28  23.23 +/- 0.41   0.000% *  0.3561% (0.41   0.02   0.02) =   0.000%
          HN    ILE   56 - HD22  ASN   28  24.25 +/- 0.50   0.000% *  0.2673% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.49 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 = 5.51, residual support = 31.9:
        T HN    ASN   28 - HN    GLU-  29   2.69 +/- 0.08  99.119% * 99.2038% (0.76   5.51  31.89) =  99.997%  kept
          HN    GLU-  25 - HN    GLU-  29   5.93 +/- 0.15   0.875% *  0.3424% (0.73   0.02   0.12) =   0.003%
          HN    ASP-  44 - HN    GLU-  29  14.12 +/- 0.38   0.005% *  0.3604% (0.76   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    GLU-  29  19.89 +/- 0.44   0.001% *  0.0933% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 332 (7.84, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 6.99, residual support = 51.1:
        T HN    LEU   31 - HN    GLN   30   2.45 +/- 0.07  99.994% * 98.9652% (0.73   6.99  51.12) = 100.000%  kept
          HN    LEU   31 - HN    LYS+  99  13.33 +/- 0.75   0.004% *  0.0186% (0.05   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   30  20.68 +/- 0.45   0.000% *  0.2521% (0.65   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   30  20.62 +/- 0.58   0.000% *  0.2050% (0.53   0.02   0.02) =   0.000%
        T HN    PHE   55 - HN    GLN   30  24.90 +/- 0.54   0.000% *  0.3761% (0.97   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   30  24.10 +/- 0.49   0.000% *  0.1203% (0.31   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    LYS+  99  18.92 +/- 0.30   0.000% *  0.0166% (0.04   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LYS+  99  24.77 +/- 0.37   0.000% *  0.0247% (0.06   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    LYS+  99  24.49 +/- 0.57   0.000% *  0.0135% (0.03   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    LYS+  99  25.56 +/- 0.35   0.000% *  0.0079% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 334 (7.85, 8.06, 119.69 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.82, residual support = 44.7:
        T HN    LEU   31 - HN    GLN   32   2.85 +/- 0.05  99.865% * 99.0540% (0.98   5.82  44.70) = 100.000%  kept
          HN    LYS+  38 - HN    GLN   32   8.59 +/- 0.15   0.134% *  0.0773% (0.22   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   32  22.62 +/- 0.43   0.000% *  0.3284% (0.95   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   32  21.81 +/- 0.80   0.001% *  0.0773% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   32  26.89 +/- 0.51   0.000% *  0.2246% (0.65   0.02   0.02) =   0.000%
        T HN    PHE   55 - HN    GLN   32  27.40 +/- 0.54   0.000% *  0.2385% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 44.3:
      O   HE22  GLN   32 - HE21  GLN   32   1.73 +/- 0.00 100.000% * 94.7686% (0.87   1.00  44.26) = 100.000%  kept
          HE22  GLN   17 - HE21  GLN   32  23.09 +/- 1.91   0.000% *  2.1418% (0.98   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   32  29.20 +/- 2.46   0.000% *  1.6699% (0.76   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   32  24.87 +/- 0.98   0.000% *  0.6744% (0.31   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   32  33.92 +/- 1.04   0.000% *  0.7453% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.64 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 = 44.3:
      O T HE21  GLN   32 - HE22  GLN   32   1.73 +/- 0.00  99.994% * 88.5613% (0.83   1.00  44.26) = 100.000%  kept
          HN    ALA   84 - HE22  GLN   90  10.32 +/- 1.89   0.005% *  0.8010% (0.38   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   32  20.15 +/- 1.46   0.000% *  2.1018% (0.99   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   17  13.92 +/- 1.00   0.000% *  0.1542% (0.07   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   90  19.02 +/- 1.45   0.000% *  0.8010% (0.38   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   90  18.86 +/- 1.30   0.000% *  0.5868% (0.28   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   17  19.06 +/- 1.63   0.000% *  0.1846% (0.09   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   32  26.51 +/- 0.61   0.000% *  1.2862% (0.61   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   32  30.83 +/- 1.20   0.000% *  2.1018% (0.99   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   32  30.86 +/- 0.78   0.000% *  1.5398% (0.73   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   17  23.09 +/- 1.91   0.000% *  0.2124% (0.10   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   90  26.59 +/- 0.94   0.000% *  0.4902% (0.23   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   17  24.15 +/- 1.11   0.000% *  0.2520% (0.12   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   90  29.20 +/- 2.46   0.000% *  0.6750% (0.32   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   17  24.43 +/- 1.19   0.000% *  0.2520% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 338 (7.75, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.3, residual support = 45.7:
          HN    GLU-  36 - HN    ASN   35   2.51 +/- 0.07  99.377% * 98.6560% (0.90   5.30  45.71) =  99.998%  kept
          HN    THR   39 - HN    ASN   35   5.94 +/- 0.27   0.583% *  0.4007% (0.97   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HN    ASN   35   9.98 +/- 1.06   0.031% *  0.3015% (0.73   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    ASN   35  12.04 +/- 0.17   0.008% *  0.1707% (0.41   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    ASN   35  19.56 +/- 1.02   0.000% *  0.4070% (0.98   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   35  24.96 +/- 1.19   0.000% *  0.0641% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 339 (6.53, 7.37, 110.13 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 2.0, residual support = 54.2:
      O T HD22  ASN   35 - HD21  ASN   35   1.73 +/- 0.00 100.000% *100.0000% (0.99   2.00  54.22) = 100.000%  kept
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (4.38, 8.36, 120.50 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.26, residual support = 54.2:
      O   HA    ASN   35 - HN    ASN   35   2.82 +/- 0.02  99.658% * 97.7081% (0.98   4.26  54.22) =  99.999%  kept
          HA    LYS+  99 - HN    ASN   35   8.27 +/- 0.65   0.184% *  0.4197% (0.90   0.02   0.02) =   0.001%
          HA    LEU   40 - HN    ASN   35   8.38 +/- 0.36   0.151% *  0.2278% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ASN   35  15.12 +/- 1.40   0.005% *  0.1445% (0.31   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASN   35  22.06 +/- 0.86   0.000% *  0.4670% (1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ASN   35  19.55 +/- 2.33   0.001% *  0.1445% (0.31   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ASN   35  24.38 +/- 0.47   0.000% *  0.4639% (0.99   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ASN   35  24.23 +/- 0.41   0.000% *  0.1596% (0.34   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ASN   35  29.65 +/- 0.56   0.000% *  0.2650% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 2.52, residual support = 160.1:
      O   HE21  GLN   30 - HE22  GLN   30   1.73 +/- 0.00  99.969% * 97.6586% (0.90   2.52 160.10) = 100.000%  kept
          HD1   TRP   27 - HE22  GLN   30   6.77 +/- 0.56   0.031% *  0.8568% (0.99   0.02   0.02) =   0.000%
          QD    PHE   59 - HE22  GLN   30  15.66 +/- 0.98   0.000% *  0.8568% (0.99   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE22  GLN   30  20.70 +/- 1.28   0.000% *  0.6277% (0.73   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 2.52, residual support = 160.1:
      O T HE22  GLN   30 - HE21  GLN   30   1.73 +/- 0.00 100.000% * 99.0353% (0.92   2.52 160.10) = 100.000%  kept
          HD22  ASN   69 - HE21  GLN   30  16.24 +/- 1.81   0.000% *  0.5166% (0.61   0.02   0.02) =   0.000%
          HN    TRP   49 - HE21  GLN   30  19.22 +/- 0.89   0.000% *  0.4481% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 0.234, support = 0.0183, residual support = 0.0183:
          HA    VAL   42 - HN    GLN   30  12.71 +/- 0.36   6.118% *  6.4793% (0.25   0.02   0.02) =  40.113%  kept
          HA    VAL   42 - HN    LYS+  99   8.12 +/- 0.32  88.781% *  0.4257% (0.02   0.02   0.02) =  38.244%  kept
          HA    GLN   90 - HN    GLN   30  20.58 +/- 0.50   0.345% * 25.0767% (0.97   0.02   0.02) =   8.754%  kept
          HA    ALA  110 - HN    GLN   30  23.22 +/- 0.43   0.166% * 25.9267% (1.00   0.02   0.02) =   4.347%  kept
          HA    ALA   91 - HN    GLN   30  21.02 +/- 1.41   0.324% *  5.7850% (0.22   0.02   0.02) =   1.894%
          HA    VAL  107 - HN    LYS+  99  14.20 +/- 0.14   3.141% *  0.5823% (0.02   0.02   0.02) =   1.851%
          HA    VAL  107 - HN    GLN   30  22.41 +/- 0.47   0.206% *  8.8635% (0.34   0.02   0.02) =   1.849%
          HA    PHE   55 - HN    GLN   30  26.16 +/- 0.47   0.081% * 21.7040% (0.84   0.02   0.02) =   1.771%
          HA    ALA  110 - HN    LYS+  99  19.68 +/- 0.23   0.443% *  1.7034% (0.07   0.02   0.02) =   0.764%
          HA    GLN   90 - HN    LYS+  99  24.76 +/- 0.85   0.116% *  1.6475% (0.06   0.02   0.02) =   0.193%
          HA    PHE   55 - HN    LYS+  99  24.99 +/- 0.35   0.106% *  1.4259% (0.05   0.02   0.02) =   0.152%
          HA    ALA   91 - HN    LYS+  99  22.99 +/- 0.27   0.175% *  0.3801% (0.01   0.02   0.02) =   0.067%
    Distance limit 4.31 A violated in 20 structures by 3.71 A, eliminated.
    Peak unassigned.
 
    Peak 346 (8.09, 7.95, 120.58 ppm):
    4 chemical-shift based assignments, quality = 0.758, support = 4.49, residual support = 32.9:
          HN    ALA   34 - HN    LYS+  33   2.68 +/- 0.06  50.161% * 79.3916% (0.90   4.38  37.65) =  80.128%  kept
          HN    GLN   32 - HN    LYS+  33   2.68 +/- 0.05  49.838% * 19.8174% (0.20   4.95  13.90) =  19.872%  kept
          HN    LEU   80 - HN    LYS+  33  16.94 +/- 0.26   0.001% *  0.3903% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  33  26.64 +/- 0.58   0.000% *  0.4008% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 347 (7.36, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 54.2:
      O   HD21  ASN   35 - HD22  ASN   35   1.73 +/- 0.00 100.000% * 95.5852% (0.73   2.00  54.22) = 100.000%  kept
          HD2   HIS   22 - HD22  ASN   35  20.44 +/- 0.81   0.000% *  1.3134% (1.00   0.02   0.02) =   0.000%
          HN    THR   23 - HD22  ASN   35  17.95 +/- 0.83   0.000% *  0.4490% (0.34   0.02   0.02) =   0.000%
          HN    LEU   67 - HD22  ASN   35  21.68 +/- 0.94   0.000% *  0.9559% (0.73   0.02   0.02) =   0.000%
          QE    PHE   95 - HD22  ASN   35  20.23 +/- 1.08   0.000% *  0.4063% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   49 - HD22  ASN   35  30.13 +/- 1.08   0.000% *  1.2903% (0.98   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 348 (8.36, 7.76, 119.36 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 5.3, residual support = 45.7:
        T HN    ASN   35 - HN    GLU-  36   2.51 +/- 0.07  99.989% * 99.7030% (0.99   5.30  45.71) = 100.000%  kept
        T HN    LYS+  99 - HN    GLU-  36  11.74 +/- 0.66   0.010% *  0.0514% (0.14   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLU-  36  21.27 +/- 3.67   0.001% *  0.2456% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.31, support = 3.87, residual support = 17.0:
          HN    GLU-  36 - HN    SER   37   2.53 +/- 0.11  92.273% * 30.9669% (0.25   3.97  19.44) =  84.730%  kept
          HN    THR   39 - HN    SER   37   3.97 +/- 0.48   7.708% * 66.8077% (0.65   3.30   3.48) =  15.270%  kept
          HN    TRP   27 - HN    SER   37  14.87 +/- 0.24   0.002% *  0.6197% (0.99   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    SER   37  11.04 +/- 0.98   0.017% *  0.0846% (0.14   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    SER   37  21.91 +/- 0.41   0.000% *  0.4295% (0.69   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    SER   37  23.04 +/- 0.98   0.000% *  0.3792% (0.61   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    SER   37  28.07 +/- 1.14   0.000% *  0.4778% (0.76   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    SER   37  25.37 +/- 1.43   0.000% *  0.2347% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (7.74, 7.88, 117.58 ppm):
    8 chemical-shift based assignments, quality = 0.932, support = 5.48, residual support = 29.2:
          HN    THR   39 - HN    LYS+  38   2.88 +/- 0.24  82.637% * 83.9934% (0.95   5.63  30.30) =  96.385%  kept
          HN    GLU-  36 - HN    LYS+  38   3.79 +/- 0.12  17.270% * 15.0753% (0.57   1.69   1.08) =   3.615%  kept
          HN    LYS+ 102 - HN    LYS+  38   9.21 +/- 1.05   0.089% *  0.1185% (0.38   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    LYS+  38  15.92 +/- 0.29   0.003% *  0.2412% (0.76   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  38  22.89 +/- 0.94   0.000% *  0.2914% (0.92   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    LYS+  38  21.69 +/- 0.55   0.000% *  0.1077% (0.34   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    LYS+  38  27.84 +/- 1.20   0.000% *  0.1298% (0.41   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    LYS+  38  24.99 +/- 1.41   0.000% *  0.0427% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 351 (4.40, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.375, support = 4.59, residual support = 43.3:
      O   HA    ASN   35 - HN    GLU-  36   3.63 +/- 0.02  87.722% * 55.0741% (0.38   4.70  45.71) =  90.856%  kept
          HA    SER   37 - HN    GLU-  36   5.08 +/- 0.10  11.779% * 41.2637% (0.38   3.52  19.44) =   9.141%  kept
          HA    LEU   40 - HN    GLU-  36   9.97 +/- 0.33   0.209% *  0.6242% (1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HN    GLU-  36   9.73 +/- 0.60   0.261% *  0.1556% (0.25   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    GLU-  36  15.84 +/- 1.47   0.016% *  0.5904% (0.95   0.02   0.02) =   0.000%
          HA    SER   13 - HN    GLU-  36  19.46 +/- 2.57   0.005% *  0.5904% (0.95   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    GLU-  36  18.66 +/- 0.76   0.005% *  0.2343% (0.38   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  36  23.38 +/- 0.88   0.001% *  0.3284% (0.53   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  36  26.25 +/- 0.43   0.001% *  0.6024% (0.97   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  36  24.16 +/- 0.39   0.001% *  0.2798% (0.45   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  36  26.68 +/- 0.47   0.001% *  0.2566% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 352 (4.08, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 5.47, residual support = 82.8:
      O   HA    GLU-  36 - HN    GLU-  36   2.81 +/- 0.04  99.999% * 99.2340% (0.69   5.47  82.76) = 100.000%  kept
          HA    LYS+  66 - HN    GLU-  36  21.75 +/- 0.43   0.000% *  0.3626% (0.69   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    GLU-  36  24.09 +/- 0.25   0.000% *  0.2989% (0.57   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLU-  36  26.24 +/- 0.79   0.000% *  0.1045% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 353 (4.42, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.78, residual support = 25.1:
      O   HA    SER   37 - HN    SER   37   2.90 +/- 0.01  99.829% * 97.2979% (0.97   3.78  25.11) =  99.999%  kept
          HA    LEU   40 - HN    SER   37   8.63 +/- 0.33   0.146% *  0.2804% (0.53   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    SER   37  14.58 +/- 1.49   0.008% *  0.3870% (0.73   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    SER   37  13.11 +/- 0.22   0.012% *  0.2389% (0.45   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    SER   37  17.50 +/- 0.79   0.002% *  0.5143% (0.97   0.02   0.02) =   0.000%
          HA    SER   13 - HN    SER   37  18.23 +/- 2.55   0.002% *  0.3870% (0.73   0.02   0.02) =   0.000%
          HA    THR   46 - HN    SER   37  24.35 +/- 0.36   0.000% *  0.5282% (0.99   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    SER   37  25.26 +/- 0.41   0.000% *  0.3661% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (4.08, 7.91, 112.05 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.29, residual support = 19.4:
      O   HA    GLU-  36 - HN    SER   37   3.50 +/- 0.05  99.996% * 98.3672% (0.34   4.29  19.44) = 100.000%  kept
          HA    LYS+  66 - HN    SER   37  19.86 +/- 0.39   0.003% *  1.2976% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    SER   37  25.48 +/- 0.30   0.001% *  0.3353% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 4.23, residual support = 8.68:
      O   HA    SER   37 - HN    LYS+  38   3.50 +/- 0.01  98.613% * 96.3571% (0.73   4.23   8.68) =  99.993%  kept
          HA    LEU   40 - HN    LYS+  38   7.22 +/- 0.27   1.303% *  0.5234% (0.84   0.02   0.02) =   0.007%
          HA    GLU-  15 - HN    LYS+  38  15.49 +/- 1.53   0.017% *  0.6048% (0.97   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    LYS+  38  12.34 +/- 0.23   0.052% *  0.1240% (0.20   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LYS+  38  19.53 +/- 2.48   0.005% *  0.6048% (0.97   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LYS+  38  17.89 +/- 0.93   0.006% *  0.4551% (0.73   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LYS+  38  24.21 +/- 0.39   0.001% *  0.5018% (0.80   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LYS+  38  25.00 +/- 0.54   0.001% *  0.5928% (0.95   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  38  20.19 +/- 0.88   0.003% *  0.1395% (0.22   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  38  25.48 +/- 0.48   0.001% *  0.0967% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (4.09, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 1.08, residual support = 1.08:
          HA    GLU-  36 - HN    LYS+  38   4.21 +/- 0.08  99.982% * 96.1108% (0.97   1.08   1.08) = 100.000%  kept
          HA    LYS+  66 - HN    LYS+  38  19.40 +/- 0.58   0.011% *  0.6317% (0.34   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  38  22.88 +/- 0.83   0.004% *  0.9015% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  38  25.93 +/- 0.32   0.002% *  1.6609% (0.90   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  38  28.20 +/- 0.78   0.001% *  0.6951% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 357 (4.27, 7.75, 114.55 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.9, residual support = 38.4:
      O   HA    THR   39 - HN    THR   39   2.75 +/- 0.03  99.981% * 97.1672% (1.00   3.90  38.38) = 100.000%  kept
          HA    ILE  103 - HN    THR   39  11.96 +/- 0.51   0.015% *  0.3617% (0.73   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    THR   39  17.36 +/- 0.58   0.002% *  0.2620% (0.53   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   39  20.93 +/- 3.90   0.001% *  0.2424% (0.49   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    THR   39  22.27 +/- 0.68   0.000% *  0.3806% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    THR   39  25.76 +/- 0.58   0.000% *  0.4937% (0.99   0.02   0.02) =   0.000%
          HB    THR   77 - HN    THR   39  25.65 +/- 0.56   0.000% *  0.3021% (0.61   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   39  28.99 +/- 0.45   0.000% *  0.3021% (0.61   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   39  32.39 +/- 0.68   0.000% *  0.4882% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 4.14, residual support = 24.3:
      O   HA    THR   39 - HN    LEU   40   2.54 +/- 0.23  99.967% * 97.3234% (1.00   4.14  24.31) = 100.000%  kept
          HA    ILE  103 - HN    LEU   40  10.08 +/- 0.29   0.029% *  0.3417% (0.73   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   40  14.67 +/- 0.15   0.003% *  0.2476% (0.53   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   40  19.01 +/- 0.26   0.001% *  0.3596% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   40  21.62 +/- 3.26   0.001% *  0.2291% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU   40  25.18 +/- 0.48   0.000% *  0.4664% (0.99   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU   40  24.07 +/- 0.30   0.000% *  0.2854% (0.61   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   40  29.47 +/- 0.48   0.000% *  0.4613% (0.98   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   40  28.64 +/- 0.37   0.000% *  0.2854% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 1 structures by 0.02 A, kept.
 
    Peak 359 (4.40, 8.88, 128.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 108.7:
      O   HA    LEU   40 - HN    LEU   40   2.86 +/- 0.02  94.778% * 97.9629% (1.00   5.40 108.68) =  99.995%  kept
          HA    LYS+  99 - HN    LEU   40   4.81 +/- 0.35   4.676% *  0.0904% (0.25   0.02  12.46) =   0.005%
          HA    ASN   35 - HN    LEU   40   8.37 +/- 0.86   0.359% *  0.1361% (0.38   0.02   0.02) =   0.001%
          HA    SER   37 - HN    LEU   40   8.39 +/- 0.28   0.153% *  0.1361% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU   40  13.13 +/- 1.18   0.013% *  0.3430% (0.95   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LEU   40  13.43 +/- 0.91   0.010% *  0.1908% (0.53   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LEU   40  13.76 +/- 0.63   0.008% *  0.1361% (0.38   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   40  18.51 +/- 1.80   0.002% *  0.3430% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   40  19.47 +/- 0.35   0.001% *  0.3499% (0.97   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU   40  20.24 +/- 0.40   0.001% *  0.1491% (0.41   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   40  21.19 +/- 0.23   0.001% *  0.1626% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (4.85, 9.02, 128.16 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 4.51, residual support = 70.8:
      O   HA    VAL   41 - HN    VAL   41   2.94 +/- 0.00  99.990% * 97.4897% (0.22   4.51  70.85) = 100.000%  kept
          HA    PHE   45 - HN    VAL   41  14.10 +/- 0.18   0.008% *  1.4828% (0.76   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   41  18.94 +/- 0.34   0.001% *  0.2994% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   41  22.83 +/- 0.22   0.000% *  0.7282% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.72 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 = 5.0, residual support = 21.1:
      O   HA    LEU   40 - HN    VAL   41   2.22 +/- 0.02  94.283% * 97.8021% (1.00   5.00  21.09) =  99.994%  kept
          HA    LYS+  99 - HN    VAL   41   3.61 +/- 0.28   5.638% *  0.0976% (0.25   0.02   0.02) =   0.006%
          HA    ASN   35 - HN    VAL   41   7.57 +/- 0.45   0.067% *  0.1468% (0.38   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   41  10.63 +/- 0.34   0.008% *  0.1468% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    VAL   41  14.60 +/- 1.16   0.001% *  0.3701% (0.95   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    VAL   41  14.96 +/- 0.82   0.001% *  0.2058% (0.53   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   41  14.17 +/- 0.58   0.001% *  0.1468% (0.38   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   41  18.44 +/- 0.21   0.000% *  0.3776% (0.97   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   41  17.76 +/- 0.18   0.000% *  0.1754% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   41  20.72 +/- 1.62   0.000% *  0.3701% (0.95   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    VAL   41  18.05 +/- 0.39   0.000% *  0.1608% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 4.74, residual support = 18.0:
        T HN    LEU   98 - HN    VAL   41   2.86 +/- 0.26 100.000% *100.0000% (0.97   4.74  17.95) = 100.000%  kept
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 363 (5.25, 8.95, 126.35 ppm):
    1 chemical-shift based assignment, quality = 0.223, support = 1.27, residual support = 6.13:
          HA    PHE   72 - HN    VAL   42   2.54 +/- 0.22 100.000% *100.0000% (0.22   1.27   6.13) = 100.000%  kept
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 364 (4.85, 8.95, 126.35 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 5.1, residual support = 23.1:
      O   HA    VAL   41 - HN    VAL   42   2.19 +/- 0.00  99.994% * 97.7702% (0.22   5.10  23.13) = 100.000%  kept
          HA    PHE   45 - HN    VAL   42  11.27 +/- 0.14   0.005% *  1.3171% (0.76   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   42  16.81 +/- 0.35   0.000% *  0.2659% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   42  20.05 +/- 0.19   0.000% *  0.6468% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (4.45, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 5.46, residual support = 86.8:
      O   HA    VAL   42 - HN    VAL   42   2.93 +/- 0.01  99.918% * 98.7537% (0.87   5.46  86.85) = 100.000%  kept
          HA    GLN   17 - HN    VAL   42  10.37 +/- 0.53   0.054% *  0.1288% (0.31   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   42  12.70 +/- 0.32   0.015% *  0.1288% (0.31   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   42  15.79 +/- 0.29   0.004% *  0.2362% (0.57   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   42  14.64 +/- 0.22   0.006% *  0.1040% (0.25   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   42  19.04 +/- 0.25   0.001% *  0.3619% (0.87   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   42  20.52 +/- 0.72   0.001% *  0.2866% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 40.5:
      O   HA    VAL   42 - HN    VAL   43   2.20 +/- 0.02  99.987% * 98.8293% (1.00   5.04  40.49) = 100.000%  kept
          HA    THR   46 - HN    VAL   43  11.34 +/- 0.18   0.005% *  0.2227% (0.57   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   43  12.73 +/- 0.43   0.003% *  0.2544% (0.65   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   43  12.33 +/- 0.27   0.003% *  0.0981% (0.25   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   43  16.30 +/- 0.33   0.001% *  0.2544% (0.65   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   43  16.91 +/- 0.29   0.000% *  0.2069% (0.53   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   43  16.94 +/- 0.80   0.001% *  0.1342% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 368 (4.90, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 2.75, residual support = 6.0:
          HA    LYS+  74 - HN    ASP-  44   2.89 +/- 0.20  99.817% * 96.0017% (0.28   2.75   6.00) =  99.999%  kept
          HA    VAL   41 - HN    ASP-  44   8.62 +/- 0.12   0.153% *  0.4972% (0.20   0.02   0.02) =   0.001%
          HA    MET   92 - HN    ASP-  44  11.61 +/- 0.36   0.026% *  2.1793% (0.87   0.02   0.02) =   0.001%
          HA    HIS  122 - HN    ASP-  44  15.55 +/- 0.34   0.005% *  1.3218% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 369 (4.67, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.7, residual support = 15.4:
      O   HA    VAL   43 - HN    ASP-  44   2.21 +/- 0.02  99.981% * 99.0258% (0.87   3.70  15.36) = 100.000%  kept
          HA    LEU   71 - HN    ASP-  44  10.24 +/- 0.13   0.010% *  0.3001% (0.49   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASP-  44  10.60 +/- 0.39   0.008% *  0.3001% (0.49   0.02   0.02) =   0.000%
          HA    ASN   69 - HN    ASP-  44  15.86 +/- 0.15   0.001% *  0.3740% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 3.78, residual support = 34.9:
      O   HA    ASP-  44 - HN    ASP-  44   2.92 +/- 0.00  99.939% * 94.5263% (0.49   3.78  34.88) = 100.000%  kept
          HB    THR   77 - HN    ASP-  44  11.20 +/- 0.22   0.031% *  0.4228% (0.41   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  44  12.32 +/- 0.36   0.018% *  0.3175% (0.31   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  44  14.84 +/- 0.20   0.006% *  0.7065% (0.69   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  44  18.16 +/- 0.90   0.002% *  1.0082% (0.98   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP-  44  18.32 +/- 0.25   0.002% *  1.0263% (1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP-  44  17.88 +/- 0.25   0.002% *  0.4228% (0.41   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  44  23.55 +/- 1.08   0.000% *  1.0285% (1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  44  25.83 +/- 2.19   0.000% *  0.5411% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (8.02, 8.74, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.3, residual support = 27.2:
        T HN    THR   94 - HN    PHE   45   2.80 +/- 0.17  99.963% * 99.2856% (0.84   3.30  27.20) = 100.000%  kept
          HN    GLU-  79 - HN    PHE   45  10.53 +/- 0.17   0.037% *  0.7144% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 372 (6.84, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.92, residual support = 77.2:
          QD    PHE   45 - HN    PHE   45   2.04 +/- 0.14  99.998% * 98.3355% (0.53   4.92  77.24) = 100.000%  kept
          HD2   HIS  122 - HN    PHE   45  13.50 +/- 0.30   0.001% *  0.7338% (0.97   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    PHE   45  18.16 +/- 0.73   0.000% *  0.7193% (0.95   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    PHE   45  18.76 +/- 0.95   0.000% *  0.2114% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (5.96, 8.74, 125.75 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 1.89, residual support = 1.89:
          HA    PHE   95 - HN    PHE   45   3.88 +/- 0.21 100.000% *100.0000% (1.00   1.89   1.89) = 100.000%  kept
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 374 (4.86, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.99, residual support = 77.2:
      O   HA    PHE   45 - HN    PHE   45   2.86 +/- 0.03  99.959% * 99.5671% (0.99   3.99  77.24) = 100.000%  kept
          HA    VAL   41 - HN    PHE   45  11.84 +/- 0.23   0.020% *  0.2650% (0.53   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    PHE   45  11.99 +/- 0.08   0.018% *  0.0682% (0.14   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    PHE   45  16.99 +/- 0.29   0.002% *  0.0997% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (4.29, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.04, residual support = 12.8:
      O   HA    ASP-  44 - HN    PHE   45   2.27 +/- 0.02  99.924% * 96.6697% (1.00   4.04  12.78) = 100.000%  kept
          HB    THR   77 - HN    PHE   45   8.45 +/- 0.16   0.038% *  0.4746% (0.99   0.02  10.72) =   0.000%
          HA    ALA   57 - HN    PHE   45   8.89 +/- 0.36   0.029% *  0.0839% (0.18   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    PHE   45  12.73 +/- 0.39   0.003% *  0.4529% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    PHE   45  13.14 +/- 0.23   0.003% *  0.2904% (0.61   0.02   0.02) =   0.000%
          HA    SER   85 - HN    PHE   45  15.72 +/- 0.20   0.001% *  0.4746% (0.99   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    PHE   45  14.65 +/- 0.65   0.001% *  0.1968% (0.41   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    PHE   45  16.39 +/- 0.25   0.001% *  0.2147% (0.45   0.02   0.02) =   0.000%
          HA    THR   39 - HN    PHE   45  18.50 +/- 0.26   0.000% *  0.2519% (0.53   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    PHE   45  22.17 +/- 0.94   0.000% *  0.1797% (0.38   0.02   0.02) =   0.000%
          HA    MET   11 - HN    PHE   45  29.81 +/- 2.29   0.000% *  0.4777% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    PHE   45  27.52 +/- 1.17   0.000% *  0.2331% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 376 (6.83, 8.46, 117.19 ppm):
    6 chemical-shift based assignments, quality = 0.223, support = 4.42, residual support = 12.5:
          QD    PHE   45 - HN    THR   46   4.48 +/- 0.14  99.769% * 94.4447% (0.22   4.42  12.49) =  99.998%  kept
          HD2   HIS  122 - HN    THR   46  17.14 +/- 0.35   0.033% *  1.8156% (0.95   0.02   0.02) =   0.001%
          HE22  GLN   90 - HN    THR   46  13.40 +/- 0.85   0.150% *  0.2961% (0.15   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    THR   46  17.64 +/- 1.29   0.031% *  1.1641% (0.61   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    THR   46  20.49 +/- 0.96   0.012% *  1.8522% (0.97   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    THR   46  22.90 +/- 1.03   0.006% *  0.4273% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.05 A, kept.
 
    Peak 377 (5.00, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.74, residual support = 3.94:
          HA    ASP-  76 - HN    THR   46   2.88 +/- 0.39  99.999% * 98.8090% (0.53   2.74   3.94) = 100.000%  kept
          HA    LEU   67 - HN    THR   46  19.56 +/- 0.38   0.001% *  1.1910% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 378 (4.85, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.97, residual support = 12.5:
      O   HA    PHE   45 - HN    THR   46   2.20 +/- 0.01  99.956% * 99.5063% (0.76   3.97  12.49) = 100.000%  kept
          HA    ASP-  78 - HN    THR   46   8.17 +/- 0.17   0.039% *  0.2463% (0.38   0.02   0.02) =   0.000%
          HA    THR   23 - HN    THR   46  12.22 +/- 0.32   0.003% *  0.1013% (0.15   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    THR   46  14.46 +/- 0.17   0.001% *  0.1461% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.22 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   2.92 +/- 0.01  99.730% * 96.4272% (0.57   3.25  34.52) =  99.999%  kept
          HA    GLN   90 - HN    THR   46   8.60 +/- 0.59   0.174% *  0.3576% (0.34   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    THR   46  11.77 +/- 0.16   0.023% *  1.0460% (1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    THR   46  10.21 +/- 0.26   0.055% *  0.2614% (0.25   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    THR   46  13.25 +/- 0.59   0.012% *  0.5515% (0.53   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    THR   46  15.00 +/- 0.45   0.006% *  0.6782% (0.65   0.02   0.02) =   0.000%
          HA    SER   37 - HN    THR   46  24.20 +/- 0.39   0.000% *  0.6782% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 381 (9.28, 8.46, 117.19 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 3.62, residual support = 12.2:
          HN    THR   77 - HN    THR   46   2.98 +/- 0.15 100.000% *100.0000% (1.00   3.62  12.25) = 100.000%  kept
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 382 (4.57, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.889, support = 2.29, residual support = 10.5:
      O   HA    ALA   47 - HN    ALA   47   2.94 +/- 0.00  83.402% * 78.1843% (0.90   2.36  10.61) =  95.314%  kept
          HA    CYS   50 - HN    ALA   47   4.44 +/- 0.95  15.953% * 20.0793% (0.73   0.75   7.51) =   4.682%  kept
          HA    TRP   49 - HN    ALA   47   6.79 +/- 0.19   0.543% *  0.3880% (0.53   0.02  14.95) =   0.003%
          HA1   GLY  109 - HN    ALA   47   9.45 +/- 0.49   0.083% *  0.5065% (0.69   0.02   0.02) =   0.001%
          HA    VAL  108 - HN    ALA   47  13.06 +/- 0.78   0.012% *  0.5904% (0.80   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA   47  13.87 +/- 0.37   0.008% *  0.2515% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 3.06, residual support = 12.6:
      O   HA    THR   46 - HN    ALA   47   2.38 +/- 0.02  99.851% * 96.2165% (0.57   3.06  12.65) =  99.999%  kept
          HA    GLN   90 - HN    ALA   47   7.64 +/- 0.64   0.111% *  0.3787% (0.34   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   47   9.51 +/- 0.35   0.025% *  0.2768% (0.25   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    ALA   47  11.18 +/- 0.67   0.010% *  0.5841% (0.53   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ALA   47  15.50 +/- 0.13   0.001% *  1.1077% (1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    ALA   47  17.33 +/- 0.56   0.001% *  0.7181% (0.65   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   47  28.45 +/- 0.38   0.000% *  0.7181% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 386 (6.62, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 4.43, residual support = 14.7:
        T HN    TRP   49 - HN    SER   48   2.58 +/- 0.06  93.675% * 99.3468% (0.84   4.43  14.67) =  99.978%  kept
          HN    CYS   50 - HN    SER   48   4.09 +/- 0.20   6.317% *  0.3259% (0.61   0.02   0.11) =   0.022%
          HN    VAL   83 - HN    SER   48  12.89 +/- 0.30   0.006% *  0.1063% (0.20   0.02   0.02) =   0.000%
          HE22  GLN   30 - HN    SER   48  15.86 +/- 1.29   0.002% *  0.2209% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 6.13:
      O   HA    ALA   47 - HN    SER   48   2.34 +/- 0.06  98.827% * 96.7900% (0.90   2.07   6.13) =  99.993%  kept
          HA    TRP   49 - HN    SER   48   5.16 +/- 0.06   0.868% *  0.5481% (0.53   0.02  14.67) =   0.005%
          HA    CYS   50 - HN    SER   48   6.33 +/- 0.42   0.299% *  0.7565% (0.73   0.02   0.11) =   0.002%
          HA1   GLY  109 - HN    SER   48  13.48 +/- 0.69   0.003% *  0.7157% (0.69   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    SER   48  13.24 +/- 0.85   0.003% *  0.3554% (0.34   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    SER   48  17.01 +/- 0.78   0.001% *  0.8343% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 4.92, residual support = 80.9:
          HD1   TRP   49 - HN    TRP   49   3.00 +/- 0.39  99.912% * 98.2949% (0.92   4.92  80.86) = 100.000%  kept
          HD2   HIS   22 - HN    TRP   49  12.50 +/- 0.85   0.023% *  0.3468% (0.80   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    TRP   49  13.23 +/- 0.38   0.019% *  0.2801% (0.65   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   49  12.45 +/- 0.82   0.034% *  0.1080% (0.25   0.02   0.02) =   0.000%
          HN    THR   23 - HN    TRP   49  15.60 +/- 0.68   0.006% *  0.2975% (0.69   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    TRP   49  16.57 +/- 0.47   0.004% *  0.0857% (0.20   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   49  24.05 +/- 0.48   0.000% *  0.4245% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    TRP   49  28.96 +/- 1.01   0.000% *  0.1625% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 389 (9.45, 6.63, 116.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 4.43, residual support = 14.7:
        T HN    SER   48 - HN    TRP   49   2.58 +/- 0.06 100.000% *100.0000% (0.84   4.43  14.67) = 100.000%  kept
    Distance limit 3.70 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 = 0.929, support = 2.12, residual support = 5.18:
      O   HA    CYS   50 - HN    CYS   50   2.80 +/- 0.24  61.051% * 40.8768% (0.98   1.67   6.79) =  54.719%  kept
      O   HA    TRP   49 - HN    CYS   50   3.12 +/- 0.16  35.826% * 57.6193% (0.87   2.66   3.23) =  45.262%  kept
          HA    ALA   47 - HN    CYS   50   4.60 +/- 0.31   3.110% *  0.2831% (0.57   0.02   7.51) =   0.019%
          HA1   GLY  109 - HN    CYS   50  12.21 +/- 0.52   0.009% *  0.4826% (0.97   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    CYS   50  16.10 +/- 0.56   0.002% *  0.3435% (0.69   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    CYS   50  16.19 +/- 0.61   0.002% *  0.2242% (0.45   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   50  27.86 +/- 0.62   0.000% *  0.1706% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.854, support = 4.38, residual support = 73.2:
      O   HA    TRP   49 - HN    TRP   49   2.93 +/- 0.01  78.450% * 49.2186% (0.87   4.60  80.86) =  89.224%  kept
          HA    ALA   47 - HN    TRP   49   3.87 +/- 0.17  15.425% * 17.1472% (0.57   2.46  14.95) =   6.112%  kept
          HA    CYS   50 - HN    TRP   49   4.50 +/- 0.15   6.110% * 33.0322% (0.98   2.73   3.23) =   4.663%  kept
          HA1   GLY  109 - HN    TRP   49  13.31 +/- 0.68   0.009% *  0.2380% (0.97   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    TRP   49  15.64 +/- 0.69   0.004% *  0.1694% (0.69   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    TRP   49  17.18 +/- 0.75   0.002% *  0.1105% (0.45   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    TRP   49  28.24 +/- 0.57   0.000% *  0.0841% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 392 (7.36, 11.10, 134.86 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 2.17, residual support = 80.9:
      O   HD1   TRP   49 - HE1   TRP   49   2.64 +/- 0.00  99.986% * 97.1855% (0.92   2.17  80.86) = 100.000%  kept
          HD2   HIS   22 - HE1   TRP   49  13.57 +/- 1.65   0.007% *  0.9603% (0.99   0.02   0.02) =   0.000%
          QE    PHE   95 - HE1   TRP   49  14.83 +/- 1.16   0.004% *  0.2157% (0.22   0.02   0.02) =   0.000%
          HN    THR   23 - HE1   TRP   49  15.68 +/- 1.86   0.003% *  0.2416% (0.25   0.02   0.02) =   0.000%
          HN    LEU   67 - HE1   TRP   49  26.25 +/- 0.69   0.000% *  0.5876% (0.61   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE1   TRP   49  28.56 +/- 1.23   0.000% *  0.8093% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 1.37:
      O   HA    CYS   50 - HN    GLY   51   2.37 +/- 0.24  97.628% * 94.6058% (0.98   1.39   1.37) =  99.970%  kept
          HA    TRP   49 - HN    GLY   51   5.14 +/- 0.60   2.184% *  1.2075% (0.87   0.02   0.02) =   0.029%
          HA    ALA   47 - HN    GLY   51   8.03 +/- 0.78   0.177% *  0.7881% (0.57   0.02   0.02) =   0.002%
          HA1   GLY  109 - HN    GLY   51  11.45 +/- 0.70   0.010% *  1.3434% (0.97   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    GLY   51  15.70 +/- 0.73   0.001% *  0.6241% (0.45   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY   51  19.75 +/- 0.72   0.000% *  0.9562% (0.69   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY   51  29.26 +/- 0.76   0.000% *  0.4748% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 394 (4.26, 9.57, 121.38 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 3.22, residual support = 9.36:
      O   HA1   GLY   51 - HN    GLY   51   2.26 +/- 0.01  99.979% * 97.2206% (0.92   3.22   9.36) = 100.000%  kept
          HA    ALA   57 - HN    GLY   51  11.09 +/- 0.53   0.007% *  0.6480% (0.99   0.02   0.02) =   0.000%
          HB    THR   77 - HN    GLY   51  10.60 +/- 0.68   0.010% *  0.1818% (0.28   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    GLY   51  15.22 +/- 0.53   0.001% *  0.4996% (0.76   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLY   51  14.32 +/- 0.65   0.002% *  0.1456% (0.22   0.02   0.02) =   0.000%
          HA    SER   85 - HN    GLY   51  18.70 +/- 0.49   0.000% *  0.1818% (0.28   0.02   0.02) =   0.000%
          HA    SER  117 - HN    GLY   51  22.77 +/- 0.48   0.000% *  0.2018% (0.31   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLY   51  25.47 +/- 0.71   0.000% *  0.2454% (0.38   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLY   51  30.76 +/- 0.64   0.000% *  0.5461% (0.84   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLY   51  36.64 +/- 3.14   0.000% *  0.1294% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (7.87, 8.09, 110.83 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 5.2, residual support = 29.5:
        T HN    ARG+  54 - HN    CYS   53   2.73 +/- 0.12  99.993% * 99.1409% (0.98   5.20  29.47) = 100.000%  kept
        T HN    ASP-  62 - HN    CYS   53  13.76 +/- 0.42   0.006% *  0.2825% (0.73   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    CYS   53  23.60 +/- 0.59   0.000% *  0.2517% (0.65   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    CYS   53  29.28 +/- 0.47   0.000% *  0.3249% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 396 (8.10, 7.87, 121.30 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 5.2, residual support = 29.5:
        T HN    CYS   53 - HN    ARG+  54   2.73 +/- 0.12  99.991% * 99.1241% (0.85   5.20  29.47) = 100.000%  kept
        T HN    CYS   53 - HN    ASP-  62  13.76 +/- 0.42   0.006% *  0.0713% (0.16   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ARG+  54  17.86 +/- 0.73   0.001% *  0.2920% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ARG+  54  25.78 +/- 0.39   0.000% *  0.2407% (0.54   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ARG+  54  23.91 +/- 0.58   0.000% *  0.1450% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ASP-  62  19.70 +/- 0.35   0.001% *  0.0450% (0.10   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ASP-  62  21.49 +/- 0.42   0.000% *  0.0546% (0.12   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ASP-  62  23.41 +/- 0.41   0.000% *  0.0271% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.227, support = 0.0199, residual support = 0.0199:
          HN    GLN   17 - HN    ASP-  62  11.15 +/- 0.59  76.573% *  4.3392% (0.10   0.02   0.02) =  58.056%  kept
          HD21  ASN   69 - HN    ASP-  62  14.42 +/- 1.21  17.925% *  5.8573% (0.14   0.02   0.02) =  18.345%  kept
          HN    GLN   17 - HN    ARG+  54  19.56 +/- 0.57   2.643% * 23.1904% (0.54   0.02   0.02) =  10.710%  kept
          HN    TRP   87 - HN    ARG+  54  21.04 +/- 0.74   1.799% * 29.7440% (0.69   0.02   0.02) =   9.350%  kept
          HD21  ASN   69 - HN    ARG+  54  25.42 +/- 0.94   0.558% * 31.3037% (0.72   0.02   0.02) =   3.051%  kept
          HN    TRP   87 - HN    ASP-  62  25.89 +/- 0.24   0.502% *  5.5654% (0.13   0.02   0.02) =   0.488%
    Distance limit 3.85 A violated in 20 structures by 6.81 A, eliminated.
    Peak unassigned.
 
    Peak 400 (7.83, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 3.94, residual support = 16.2:
          HN    PHE   55 - HN    ILE   56   2.45 +/- 0.12  99.910% * 99.1179% (0.95   3.94  16.20) = 100.000%  kept
          HN    ASP-  62 - HN    ILE   56   9.53 +/- 0.14   0.030% *  0.1640% (0.31   0.02   0.02) =   0.000%
          HN    ALA   88 - HZ2   TRP   87   8.58 +/- 0.04   0.056% *  0.0200% (0.04   0.02   5.19) =   0.000%
          HN    ALA   88 - HN    ILE   56  21.77 +/- 0.54   0.000% *  0.4610% (0.87   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    ILE   56  22.82 +/- 0.58   0.000% *  0.1995% (0.38   0.02   0.02) =   0.000%
          HN    LEU   31 - HZ2   TRP   87  14.04 +/- 1.23   0.004% *  0.0087% (0.02   0.02   0.02) =   0.000%
          HN    PHE   55 - HZ2   TRP   87  24.28 +/- 0.82   0.000% *  0.0218% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HZ2   TRP   87  25.61 +/- 0.33   0.000% *  0.0071% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 401 (7.40, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 4.52, residual support = 25.8:
          HN    ALA   57 - HN    ILE   56   2.36 +/- 0.12  99.986% * 98.8726% (0.87   4.52  25.85) = 100.000%  kept
          HE21  GLN  116 - HN    ILE   56  11.54 +/- 0.96   0.009% *  0.4034% (0.80   0.02   0.02) =   0.000%
          HN    ALA  120 - HN    ILE   56  15.08 +/- 0.22   0.002% *  0.2071% (0.41   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE   56  18.24 +/- 1.43   0.001% *  0.4518% (0.90   0.02   0.02) =   0.000%
          HE21  GLN   90 - HZ2   TRP   87  14.59 +/- 1.16   0.002% *  0.0196% (0.04   0.02   0.02) =   0.000%
          HN    ALA   57 - HZ2   TRP   87  23.61 +/- 0.60   0.000% *  0.0190% (0.04   0.02   0.02) =   0.000%
          HE21  GLN  116 - HZ2   TRP   87  28.98 +/- 0.81   0.000% *  0.0175% (0.03   0.02   0.02) =   0.000%
          HN    ALA  120 - HZ2   TRP   87  27.67 +/- 0.79   0.000% *  0.0090% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 402 (4.41, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 0.154, support = 5.05, residual support = 114.1:
      O   HA    ILE   56 - HN    ILE   56   2.93 +/- 0.01  99.160% * 85.3853% (0.15   5.05 114.14) =  99.981%  kept
          HA    PRO   58 - HN    ILE   56   7.08 +/- 0.10   0.502% *  2.0731% (0.95   0.02   0.23) =   0.012%
          HA    THR   46 - HN    ILE   56   7.77 +/- 0.53   0.316% *  1.7548% (0.80   0.02   0.02) =   0.007%
          HA    GLN   17 - HN    ILE   56  15.68 +/- 0.66   0.004% *  1.5914% (0.73   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ILE   56  15.04 +/- 0.41   0.006% *  0.4337% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ILE   56  21.28 +/- 0.55   0.001% *  2.1150% (0.97   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ILE   56  21.24 +/- 0.37   0.001% *  1.8305% (0.84   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ILE   56  20.23 +/- 0.34   0.001% *  0.4879% (0.22   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ILE   56  27.59 +/- 1.15   0.000% *  2.1150% (0.97   0.02   0.02) =   0.000%
          HA    THR   46 - HZ2   TRP   87  16.00 +/- 0.39   0.004% *  0.0762% (0.03   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ILE   56  29.01 +/- 0.49   0.000% *  1.5914% (0.73   0.02   0.02) =   0.000%
          HA    LEU   40 - HZ2   TRP   87  19.43 +/- 0.45   0.001% *  0.0794% (0.04   0.02   0.02) =   0.000%
          HA    VAL   42 - HZ2   TRP   87  16.30 +/- 0.35   0.003% *  0.0188% (0.01   0.02   0.02) =   0.000%
          HA    SER   37 - HZ2   TRP   87  23.60 +/- 1.13   0.000% *  0.0691% (0.03   0.02   0.02) =   0.000%
          HA    GLU-  15 - HZ2   TRP   87  26.37 +/- 0.92   0.000% *  0.0918% (0.04   0.02   0.02) =   0.000%
          HA    GLN   17 - HZ2   TRP   87  25.13 +/- 0.43   0.000% *  0.0691% (0.03   0.02   0.02) =   0.000%
          HA    PRO   58 - HZ2   TRP   87  26.27 +/- 0.45   0.000% *  0.0900% (0.04   0.02   0.02) =   0.000%
          HA    ILE   56 - HZ2   TRP   87  22.99 +/- 0.73   0.000% *  0.0147% (0.01   0.02   0.02) =   0.000%
          HA    SER   13 - HZ2   TRP   87  32.11 +/- 1.84   0.000% *  0.0918% (0.04   0.02   0.02) =   0.000%
          HA    LEU  123 - HZ2   TRP   87  30.10 +/- 0.71   0.000% *  0.0212% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 403 (7.59, 7.41, 127.14 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 4.52, residual support = 25.8:
          HN    ILE   56 - HN    ALA   57   2.36 +/- 0.12  99.941% * 98.3645% (0.98   4.52  25.85) = 100.000%  kept
          HN    LEU   63 - HN    ALA   57   9.13 +/- 0.09   0.031% *  0.4094% (0.92   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    ALA   57   9.41 +/- 0.46   0.028% *  0.3978% (0.90   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA   57  20.19 +/- 0.51   0.000% *  0.3978% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   57  23.63 +/- 0.41   0.000% *  0.1369% (0.31   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   57  23.61 +/- 0.60   0.000% *  0.0777% (0.18   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   57  29.01 +/- 0.94   0.000% *  0.2159% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 404 (8.20, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.468, support = 4.42, residual support = 16.7:
        T HN    PHE   60 - HN    PHE   59   2.95 +/- 0.05  99.633% * 98.8718% (0.47   4.42  16.69) =  99.999%  kept
          HN    GLN  116 - HN    PHE   59   7.89 +/- 0.46   0.288% *  0.1291% (0.14   0.02   0.02) =   0.000%
        T HN    THR  118 - HN    PHE   59   9.75 +/- 0.25   0.078% *  0.2766% (0.29   0.02   5.66) =   0.000%
        T HN    GLU-  15 - HN    PHE   59  19.25 +/- 0.82   0.001% *  0.7225% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 0.347, support = 4.01, residual support = 45.6:
      O   HA    PHE   59 - HN    PHE   59   2.73 +/- 0.01  70.821% * 54.9139% (0.24   4.87  55.16) =  75.922%  kept
          HA    ILE   56 - HN    PHE   59   3.17 +/- 0.08  29.154% * 42.3038% (0.69   1.29  15.55) =  24.077%  kept
          HA    ASP- 113 - HN    PHE   59  10.60 +/- 0.40   0.021% *  0.6550% (0.69   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    PHE   59  15.24 +/- 0.47   0.002% *  0.5848% (0.62   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   59  20.01 +/- 0.32   0.000% *  0.7238% (0.76   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    PHE   59  18.16 +/- 0.36   0.001% *  0.1445% (0.15   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   59  24.20 +/- 0.53   0.000% *  0.6742% (0.71   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 406 (4.27, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.21, residual support = 23.2:
      O   HA    ALA   57 - HN    ALA   57   2.88 +/- 0.01  99.859% * 96.4501% (0.76   4.21  23.20) =  99.999%  kept
          HA1   GLY   51 - HN    ALA   57   9.72 +/- 0.20   0.069% *  0.5874% (0.98   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   57   9.89 +/- 0.32   0.063% *  0.3153% (0.53   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   57  14.47 +/- 0.58   0.006% *  0.3635% (0.61   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   57  18.37 +/- 0.56   0.002% *  0.5940% (0.99   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   57  20.42 +/- 0.39   0.001% *  0.4352% (0.73   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   57  23.70 +/- 0.27   0.000% *  0.5993% (1.00   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   57  23.45 +/- 0.43   0.000% *  0.3635% (0.61   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   57  30.06 +/- 3.02   0.000% *  0.2917% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.971, support = 4.7, residual support = 25.8:
      O   HA    ILE   56 - HN    ALA   57   3.18 +/- 0.05  92.809% * 70.1164% (0.99   4.68  25.85) =  96.959%  kept
          HA    PRO   58 - HN    ALA   57   4.87 +/- 0.06   7.158% * 28.5088% (0.34   5.53  24.61) =   3.041%  kept
          HA    ASP- 113 - HN    ALA   57  12.46 +/- 0.41   0.026% *  0.1713% (0.57   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ALA   57  19.27 +/- 0.43   0.002% *  0.3018% (1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   57  22.37 +/- 0.32   0.001% *  0.2713% (0.90   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   57  20.58 +/- 0.28   0.001% *  0.1472% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   57  19.42 +/- 0.59   0.002% *  0.0934% (0.31   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   57  25.83 +/- 0.52   0.000% *  0.2965% (0.98   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   57  25.61 +/- 1.23   0.000% *  0.0934% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 5.41, residual support = 41.6:
        T HN    PHE   60 - HN    ALA   61   2.71 +/- 0.08  99.969% * 99.0758% (0.61   5.41  41.57) = 100.000%  kept
        T HN    THR  118 - HN    ALA   61  12.43 +/- 0.15   0.011% *  0.2266% (0.38   0.02   0.02) =   0.000%
        T HN    GLU-  15 - HN    ALA   61  15.04 +/- 0.88   0.004% *  0.5919% (0.98   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    ALA   61  11.60 +/- 0.37   0.017% *  0.1057% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.521, support = 4.31, residual support = 29.7:
          QD    PHE   60 - HN    ALA   61   4.19 +/- 0.23  52.168% * 66.4501% (0.57   4.77  41.57) =  70.742%  kept
          HN    PHE   59 - HN    ALA   61   4.31 +/- 0.14  43.997% * 32.5499% (0.41   3.22   0.92) =  29.225%  kept
          QE    PHE   59 - HN    ALA   61   7.18 +/- 0.41   2.244% *  0.3944% (0.80   0.02   0.92) =   0.018%
          HN    LYS+  66 - HN    ALA   61   7.51 +/- 0.18   1.588% *  0.4828% (0.98   0.02   0.02) =   0.016%
          HN    LYS+  81 - HN    ALA   61  21.89 +/- 0.43   0.003% *  0.1228% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 1.15, residual support = 1.15:
          HA    PRO   58 - HN    ALA   61   3.43 +/- 0.09  97.427% * 90.7513% (0.97   1.15   1.15) =  99.980%  kept
          HA    ILE   56 - HN    ALA   61   6.68 +/- 0.16   1.820% *  0.6726% (0.41   0.02   0.02) =   0.014%
          HA    GLN   17 - HN    ALA   61   8.23 +/- 0.76   0.620% *  0.6141% (0.38   0.02   0.02) =   0.004%
          HA    THR   46 - HN    ALA   61  11.30 +/- 0.48   0.080% *  0.7335% (0.45   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    ALA   61  14.00 +/- 0.67   0.022% *  1.5477% (0.95   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   61  16.31 +/- 0.21   0.008% *  1.6361% (1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ALA   61  15.33 +/- 0.54   0.012% *  0.8608% (0.53   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   61  20.36 +/- 1.13   0.002% *  1.5477% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   61  18.44 +/- 0.29   0.004% *  0.4080% (0.25   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   61  21.85 +/- 0.52   0.001% *  0.6141% (0.38   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   61  23.04 +/- 0.48   0.001% *  0.6141% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 411 (4.28, 7.72, 117.18 ppm):
    12 chemical-shift based assignments, quality = 0.411, support = 2.0, residual support = 1.99:
          HA    ALA   57 - HN    ALA   61   4.14 +/- 0.17  99.003% * 84.4566% (0.41   2.00   1.99) =  99.979%  kept
          HA    ASP-  44 - HN    ALA   61   9.16 +/- 0.25   0.862% *  1.7829% (0.87   0.02   0.02) =   0.018%
          HA1   GLY   51 - HN    ALA   61  15.28 +/- 0.23   0.040% *  1.4925% (0.73   0.02   0.02) =   0.001%
          HB    THR   77 - HN    ALA   61  16.93 +/- 0.39   0.022% *  1.8974% (0.92   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   61  18.02 +/- 0.34   0.015% *  2.0147% (0.98   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   61  18.83 +/- 0.32   0.012% *  1.7168% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   61  19.32 +/- 0.49   0.010% *  1.8433% (0.90   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   61  16.85 +/- 0.98   0.025% *  0.3171% (0.15   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   61  24.87 +/- 2.74   0.004% *  1.7168% (0.84   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   61  25.27 +/- 0.33   0.002% *  1.8974% (0.92   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   61  21.98 +/- 1.54   0.005% *  0.4576% (0.22   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   61  26.60 +/- 0.29   0.001% *  0.4068% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 412 (7.86, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.86, residual support = 42.5:
        T HN    ASP-  62 - HN    LEU   63   2.40 +/- 0.04  99.992% * 99.0586% (0.98   5.86  42.53) = 100.000%  kept
          HN    ARG+  54 - HN    LEU   63  13.79 +/- 0.23   0.003% *  0.3182% (0.92   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LEU   63  12.68 +/- 0.24   0.005% *  0.1294% (0.38   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LEU   63  19.06 +/- 0.50   0.000% *  0.3261% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LEU   63  19.86 +/- 0.59   0.000% *  0.1678% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 413 (6.47, 7.59, 120.97 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.86, residual support = 54.0:
        T HN    ALA   64 - HN    LEU   63   2.67 +/- 0.10 100.000% *100.0000% (0.97   6.86  53.96) = 100.000%  kept
    Distance limit 3.37 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 = 4.27, residual support = 26.7:
        T HN    LYS+  65 - HN    ALA   64   2.68 +/- 0.14 100.000% *100.0000% (0.97   4.27  26.66) = 100.000%  kept
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (7.59, 6.46, 118.53 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.86, residual support = 54.0:
          HN    LEU   63 - HN    ALA   64   2.67 +/- 0.10  99.984% * 99.0099% (0.99   6.86  53.96) = 100.000%  kept
          HN    ILE   56 - HN    ALA   64  12.12 +/- 0.23   0.012% *  0.2755% (0.95   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    ALA   64  14.83 +/- 0.52   0.004% *  0.1767% (0.61   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   64  20.69 +/- 0.31   0.000% *  0.1767% (0.61   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA   64  22.30 +/- 0.32   0.000% *  0.1767% (0.61   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   64  23.78 +/- 0.34   0.000% *  0.1197% (0.41   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   64  23.07 +/- 0.65   0.000% *  0.0648% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 4.27, residual support = 26.7:
        T HN    ALA   64 - HN    LYS+  65   2.68 +/- 0.14 100.000% *100.0000% (0.67   4.27  26.66) = 100.000%  kept
    Distance limit 3.44 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 = 6.13, residual support = 27.5:
          HN    LYS+  66 - HN    LYS+  65   2.48 +/- 0.11  99.487% * 99.3293% (0.68   6.13  27.52) =  99.999%  kept
          QD    PHE   60 - HN    LYS+  65   6.31 +/- 0.36   0.401% *  0.1873% (0.39   0.02   0.02) =   0.001%
          QE    PHE   59 - HN    LYS+  65   8.38 +/- 0.30   0.069% *  0.2649% (0.55   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LYS+  65   9.03 +/- 0.14   0.044% *  0.1360% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    LYS+  65  25.11 +/- 0.44   0.000% *  0.0825% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 418 (4.22, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.667, support = 0.75, residual support = 3.18:
          HA    ASP-  62 - HN    LYS+  65   3.44 +/- 0.20  99.986% * 95.0307% (0.67   0.75   3.18) = 100.000%  kept
          HA    SER  117 - HN    LYS+  65  15.72 +/- 0.46   0.012% *  1.9068% (0.50   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LYS+  65  20.81 +/- 0.51   0.002% *  2.6026% (0.68   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LYS+  65  28.16 +/- 0.41   0.000% *  0.4599% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 6.13, residual support = 27.5:
        T HN    LYS+  65 - HN    LYS+  66   2.48 +/- 0.11 100.000% *100.0000% (0.97   6.13  27.52) = 100.000%  kept
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 420 (4.08, 7.27, 117.25 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.07, residual support = 112.8:
      O   HA    LYS+  66 - HN    LYS+  66   2.89 +/- 0.05  99.999% * 99.7590% (0.97   5.07 112.80) = 100.000%  kept
          HA    GLU-  36 - HN    LYS+  66  22.52 +/- 0.58   0.000% *  0.1392% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  66  27.66 +/- 0.38   0.000% *  0.1018% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.0756, support = 0.0198, residual support = 46.2:
          HD22  ASN   28 - HE3   TRP   27   7.53 +/- 0.19  99.888% * 11.1670% (0.08   0.02  46.58) =  99.114%  kept
          HD22  ASN   28 - HN    LEU   67  23.37 +/- 0.44   0.112% * 88.8330% (0.61   0.02   0.02) =   0.886%
    Distance limit 4.45 A violated in 20 structures by 3.08 A, eliminated.
    Peak unassigned.
 
    Peak 422 (4.99, 7.34, 119.88 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.11, residual support = 62.0:
      O   HA    LEU   67 - HN    LEU   67   2.94 +/- 0.00  99.895% * 99.8768% (1.00   6.11  62.04) = 100.000%  kept
          HA    ASP-  76 - HE3   TRP   27   9.29 +/- 0.26   0.101% *  0.0092% (0.03   0.02   0.02) =   0.000%
          HA    ASP-  76 - HN    LEU   67  19.20 +/- 0.36   0.001% *  0.0730% (0.22   0.02   0.02) =   0.000%
          HA    LEU   67 - HE3   TRP   27  17.61 +/- 0.39   0.002% *  0.0411% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 4.49, residual support = 10.5:
      O   HA    LYS+  66 - HN    LEU   67   3.41 +/- 0.22  99.939% * 99.6383% (0.97   4.49  10.46) = 100.000%  kept
          HA    LYS+  81 - HE3   TRP   27  12.52 +/- 0.37   0.044% *  0.0144% (0.03   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   67  20.40 +/- 0.54   0.002% *  0.1570% (0.34   0.02   0.02) =   0.000%
          HA    GLU-  36 - HE3   TRP   27  15.76 +/- 0.30   0.011% *  0.0197% (0.04   0.02   0.02) =   0.000%
          HA    LYS+  66 - HE3   TRP   27  20.10 +/- 0.28   0.003% *  0.0558% (0.12   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU   67  27.47 +/- 0.48   0.000% *  0.1147% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 26.3:
        T HN    VAL   70 - HN    ASN   69   2.27 +/- 0.22  99.999% * 99.8650% (0.87   5.26  26.28) = 100.000%  kept
          HN    LYS+  33 - HN    ASN   69  15.34 +/- 0.57   0.001% *  0.1350% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 425 (4.69, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.43, residual support = 59.8:
      O   HA    ASN   69 - HN    ASN   69   2.89 +/- 0.03  99.991% * 99.3516% (0.76   5.43  59.79) = 100.000%  kept
          HA    VAL   43 - HN    ASN   69  13.87 +/- 0.34   0.008% *  0.2331% (0.49   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASN   69  22.19 +/- 0.41   0.000% *  0.4153% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 426 (6.65, 7.68, 113.30 ppm):
    3 chemical-shift based assignments, quality = 0.518, support = 3.25, residual support = 59.8:
      O T HD22  ASN   69 - HD21  ASN   69   1.73 +/- 0.00 100.000% * 99.4499% (0.52   3.25  59.79) = 100.000%  kept
          HE22  GLN   30 - HD21  ASN   69  16.40 +/- 1.56   0.000% *  0.4024% (0.34   0.02   0.02) =   0.000%
          HN    TRP   49 - HD21  ASN   69  29.05 +/- 0.91   0.000% *  0.1477% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (7.69, 6.66, 113.30 ppm):
    4 chemical-shift based assignments, quality = 0.518, support = 3.25, residual support = 59.8:
      O   HD21  ASN   69 - HD22  ASN   69   1.73 +/- 0.00  99.998% * 98.5198% (0.52   3.25  59.79) = 100.000%  kept
          HN    GLN   17 - HD22  ASN   69  11.23 +/- 0.80   0.001% *  0.6557% (0.56   0.02   0.02) =   0.000%
          HN    TRP   87 - HD22  ASN   69  30.31 +/- 1.16   0.000% *  0.6217% (0.53   0.02   0.02) =   0.000%
          HE3   TRP   87 - HD22  ASN   69  30.48 +/- 1.39   0.000% *  0.2028% (0.17   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (6.97, 7.98, 124.64 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 1.5, residual support = 41.7:
          QE    PHE   72 - HN    VAL   70   4.08 +/- 0.42  99.994% * 97.1675% (0.45   1.50  41.74) = 100.000%  kept
          HD22  ASN   28 - HN    VAL   70  20.78 +/- 0.48   0.006% *  2.8325% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.01 A, kept.
 
    Peak 429 (8.83, 7.98, 124.64 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.26, residual support = 26.3:
        T HN    ASN   69 - HN    VAL   70   2.27 +/- 0.22  99.997% * 99.7696% (0.87   5.26  26.28) = 100.000%  kept
          HN    GLY  101 - HN    VAL   70  13.78 +/- 0.48   0.002% *  0.1089% (0.25   0.02   0.02) =   0.000%
          HN    ASN   28 - HN    VAL   70  18.70 +/- 0.45   0.000% *  0.1215% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 430 (4.73, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.06, residual support = 1.06:
          HA    PRO   68 - HN    VAL   70   3.88 +/- 0.34 100.000% *100.0000% (0.99   1.06   1.06) = 100.000%  kept
    Distance limit 4.27 A violated in 0 structures by 0.03 A, kept.
 
    Peak 431 (4.00, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 3.89, residual support = 81.7:
      O   HA    VAL   70 - HN    VAL   70   2.91 +/- 0.02  99.733% * 96.2765% (0.84   3.89  81.72) =  99.999%  kept
          HA    VAL   18 - HN    VAL   70   8.46 +/- 0.42   0.174% *  0.5713% (0.97   0.02   0.02) =   0.001%
          HB2   SER   37 - HN    VAL   70   9.91 +/- 0.73   0.071% *  0.1171% (0.20   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   70  13.07 +/- 0.57   0.013% *  0.5906% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   70  17.61 +/- 0.52   0.002% *  0.5802% (0.98   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   70  17.47 +/- 0.65   0.002% *  0.4944% (0.84   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    VAL   70  15.83 +/- 0.51   0.004% *  0.1827% (0.31   0.02   0.02) =   0.000%
          HA    SER   48 - HN    VAL   70  23.79 +/- 0.85   0.000% *  0.3351% (0.57   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   70  26.07 +/- 0.66   0.000% *  0.5464% (0.92   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   70  26.54 +/- 1.04   0.000% *  0.1037% (0.18   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    VAL   70  30.08 +/- 0.53   0.000% *  0.2019% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (4.65, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.65, residual support = 126.4:
      O   HA    LEU   71 - HN    LEU   71   2.91 +/- 0.00  99.875% * 99.7887% (1.00   5.65 126.38) = 100.000%  kept
          HA    VAL   43 - HN    LEU   71   9.07 +/- 0.17   0.110% *  0.0787% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LEU   71  12.75 +/- 0.23   0.014% *  0.1327% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.01, 8.15, 128.27 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.88, residual support = 31.5:
      O   HA    VAL   70 - HN    LEU   71   2.28 +/- 0.01  99.753% * 98.0610% (1.00   4.88  31.48) =  99.999%  kept
          HB2   SER   37 - HN    LEU   71   7.41 +/- 0.57   0.098% *  0.1958% (0.49   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   71   7.75 +/- 0.24   0.067% *  0.2763% (0.69   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   71   9.44 +/- 0.36   0.021% *  0.3489% (0.87   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LEU   71   8.77 +/- 1.26   0.059% *  0.0796% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   71  13.62 +/- 0.34   0.002% *  0.2921% (0.73   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   71  18.83 +/- 0.59   0.000% *  0.4022% (1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LEU   71  22.13 +/- 0.57   0.000% *  0.2439% (0.61   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   71  22.39 +/- 0.65   0.000% *  0.1003% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 2.0, residual support = 2.75:
          HA    VAL   41 - HN    LEU   71   3.56 +/- 0.23  99.915% * 98.6149% (1.00   2.00   2.75) =  99.999%  kept
          HA    HIS  122 - HN    LEU   71  12.12 +/- 0.40   0.068% *  0.8255% (0.84   0.02   0.02) =   0.001%
          HA    PHE   45 - HN    LEU   71  15.34 +/- 0.20   0.016% *  0.5596% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 435 (8.93, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.606, support = 2.33, residual support = 2.45:
          HN    VAL   42 - HN    LEU   71   4.46 +/- 0.17  91.131% * 97.8091% (0.61   2.34   2.45) =  99.898%  kept
          HN    LEU   73 - HN    LEU   71   7.09 +/- 0.12   5.708% *  0.8375% (0.61   0.02   0.02) =   0.054%
          HN    ILE   19 - HN    LEU   71   7.85 +/- 0.22   3.161% *  1.3534% (0.98   0.02   0.02) =   0.048%
    Distance limit 4.53 A violated in 0 structures by 0.04 A, kept.
 
    Peak 436 (6.67, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 5.46, residual support = 83.8:
          QD    PHE   72 - HN    PHE   72   2.64 +/- 0.22  99.932% * 98.8908% (0.45   5.46  83.76) = 100.000%  kept
          HD22  ASN   69 - HN    PHE   72   9.71 +/- 0.70   0.056% *  0.5866% (0.73   0.02   0.02) =   0.000%
          QE    PHE   45 - HN    PHE   72  11.98 +/- 0.23   0.012% *  0.5226% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 437 (5.26, 9.36, 127.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 5.12, residual support = 83.8:
      O   HA    PHE   72 - HN    PHE   72   2.92 +/- 0.01 100.000% *100.0000% (0.53   5.12  83.76) = 100.000%  kept
    Distance limit 4.19 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 = 5.26, residual support = 19.1:
      O   HA    LEU   71 - HN    PHE   72   2.19 +/- 0.01  99.900% * 99.7731% (1.00   5.26  19.13) = 100.000%  kept
          HA    VAL   43 - HN    PHE   72   7.23 +/- 0.22   0.078% *  0.0845% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    PHE   72   8.89 +/- 0.25   0.022% *  0.1424% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.472, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    PHE   72  12.85 +/- 0.15  61.397% *  7.2068% (0.18   0.02   0.02) =  35.859%  kept
          HA    THR   23 - HN    PHE   72  16.49 +/- 0.26  13.789% * 29.8815% (0.73   0.02   0.02) =  33.393%  kept
          HA    ASP-  78 - HN    PHE   72  20.61 +/- 0.17   3.609% * 39.7133% (0.97   0.02   0.02) =  11.615%  kept
          HA    LEU   80 - HN    PHE   72  17.87 +/- 0.40   8.578% * 14.0368% (0.34   0.02   0.02) =   9.758%  kept
          HB    THR   23 - HN    PHE   72  16.74 +/- 0.27  12.628% *  9.1616% (0.22   0.02   0.02) =   9.376%  kept
    Distance limit 4.41 A violated in 20 structures by 7.44 A, eliminated.
    Peak unassigned.
 
    Peak 440 (7.61, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 0.758, residual support = 0.758:
          QE    PHE   60 - HN    LEU   73   3.31 +/- 0.28  99.794% * 87.2659% (0.49   0.76   0.76) =  99.994%  kept
          HN    LEU   63 - HN    LEU   73   9.94 +/- 0.28   0.148% *  1.9453% (0.41   0.02   0.02) =   0.003%
          HD21  ASN   28 - HN    LEU   73  12.65 +/- 0.26   0.035% *  4.6382% (0.98   0.02   0.02) =   0.002%
          HZ2   TRP   87 - HN    LEU   73  16.63 +/- 0.48   0.007% *  4.6900% (0.99   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    LEU   73  14.37 +/- 0.40   0.016% *  1.4605% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 441 (5.57, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 6.68, residual support = 162.7:
      O   HA    LEU   73 - HN    LEU   73   2.93 +/- 0.01 100.000% *100.0000% (0.95   6.68 162.74) = 100.000%  kept
    Distance limit 3.83 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 = 5.11, residual support = 32.0:
      O   HA    PHE   72 - HN    LEU   73   2.30 +/- 0.03 100.000% *100.0000% (0.53   5.11  31.98) = 100.000%  kept
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 443 (4.66, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.526, support = 3.85, residual support = 10.6:
          HA    VAL   43 - HN    LEU   73   2.78 +/- 0.22  98.651% * 98.5916% (0.53   3.85  10.58) =  99.992%  kept
          HA    LEU   71 - HN    LEU   73   6.21 +/- 0.05   0.876% *  0.8133% (0.84   0.02   0.02) =   0.007%
          HA    ALA   20 - HN    LEU   73   7.00 +/- 0.15   0.436% *  0.1318% (0.14   0.02   0.02) =   0.001%
          HA    HIS   22 - HN    LEU   73  11.45 +/- 0.29   0.022% *  0.1927% (0.20   0.02   0.02) =   0.000%
          HA    ASN   69 - HN    LEU   73  12.13 +/- 0.17   0.016% *  0.2707% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 444 (7.90, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.124, support = 3.74, residual support = 10.0:
        T HN    CYS   21 - HN    LYS+  74   2.50 +/- 0.16  99.995% * 92.8143% (0.12   3.74  10.03) = 100.000%  kept
          HN    SER   37 - HN    LYS+  74  15.74 +/- 0.25   0.002% *  2.6809% (0.67   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    LYS+  74  16.04 +/- 0.38   0.002% *  2.2693% (0.57   0.02   0.02) =   0.000%
        T HN    ILE  119 - HN    LYS+  74  18.30 +/- 0.32   0.001% *  1.6045% (0.40   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LYS+  74  16.18 +/- 0.37   0.001% *  0.6310% (0.16   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 445 (8.94, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.598, support = 5.29, residual support = 30.4:
          HN    LEU   73 - HN    LYS+  74   4.43 +/- 0.02  43.325% * 65.3888% (0.64   6.25  45.45) =  59.723%  kept
        T HN    ILE   19 - HN    LYS+  74   4.25 +/- 0.15  55.604% * 34.3558% (0.54   3.85   8.15) =  40.273%  kept
          HN    VAL   42 - HN    LYS+  74   8.25 +/- 0.19   1.058% *  0.2092% (0.64   0.02   0.02) =   0.005%
          HN    LYS+ 106 - HN    LYS+  74  17.09 +/- 0.22   0.013% *  0.0462% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 446 (5.56, 8.48, 121.30 ppm):
    1 chemical-shift based assignment, quality = 0.684, support = 5.93, residual support = 45.4:
      O   HA    LEU   73 - HN    LYS+  74   2.35 +/- 0.10 100.000% *100.0000% (0.68   5.93  45.45) = 100.000%  kept
    Distance limit 3.00 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 = 6.07, residual support = 175.6:
      O   HA    LYS+  74 - HN    LYS+  74   2.93 +/- 0.01  99.900% * 98.1488% (0.20   6.07 175.61) = 100.000%  kept
          HA    VAL   41 - HN    LYS+  74   9.41 +/- 0.23   0.093% *  0.2302% (0.14   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LYS+  74  14.99 +/- 0.38   0.006% *  1.0090% (0.61   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    LYS+  74  18.72 +/- 0.37   0.001% *  0.6120% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.63, 8.48, 121.30 ppm):
    2 chemical-shift based assignments, quality = 0.684, support = 3.69, residual support = 8.15:
          HA    ALA   20 - HN    LYS+  74   2.82 +/- 0.21  99.899% * 99.7056% (0.68   3.69   8.15) = 100.000%  kept
          HA    LEU   71 - HN    LYS+  74   8.99 +/- 0.18   0.101% *  0.2944% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 449 (4.91, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 5.87, residual support = 27.1:
      O   HA    LYS+  74 - HN    VAL   75   2.19 +/- 0.01  99.993% * 99.3196% (0.61   5.87  27.08) = 100.000%  kept
          HA    MET   92 - HN    VAL   75  10.93 +/- 0.36   0.007% *  0.5562% (1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    VAL   75  18.76 +/- 0.38   0.000% *  0.1241% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 3.74, residual support = 36.1:
      O   HA    ASP-  76 - HN    ASP-  76   2.87 +/- 0.03  99.999% * 97.6590% (0.22   3.74  36.07) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  76  20.72 +/- 0.37   0.001% *  2.3410% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 3.42, residual support = 9.35:
      O   HA    VAL  107 - HN    VAL  108   2.21 +/- 0.02  99.891% * 97.6608% (0.65   3.42   9.35) = 100.000%  kept
          HA    LYS+ 111 - HN    VAL  108   7.02 +/- 0.43   0.106% *  0.1746% (0.20   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  108  14.11 +/- 0.97   0.002% *  0.7067% (0.80   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  108  14.47 +/- 1.06   0.001% *  0.6062% (0.69   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  108  21.62 +/- 0.41   0.000% *  0.8517% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 5.31, residual support = 28.0:
        T HN    ASP-  78 - HN    THR   77   2.78 +/- 0.01  99.064% * 99.7005% (0.98   5.31  28.02) =  99.998%  kept
          HN    VAL   75 - HN    THR   77   6.07 +/- 0.24   0.934% *  0.2324% (0.61   0.02   0.34) =   0.002%
          HN    LYS+ 112 - HN    THR   77  16.84 +/- 0.35   0.002% *  0.0671% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 5.31, residual support = 28.0:
        T HN    THR   77 - HN    ASP-  78   2.78 +/- 0.01 100.000% *100.0000% (1.00   5.31  28.02) = 100.000%  kept
    Distance limit 3.71 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 = 3.81, residual support = 15.5:
        T HN    GLU-  79 - HN    ASP-  78   2.31 +/- 0.05  99.987% * 99.5592% (0.99   3.81  15.47) = 100.000%  kept
          HN    THR   94 - HN    ASP-  78  10.28 +/- 0.27   0.013% *  0.4408% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 3.81, residual support = 15.5:
        T HN    ASP-  78 - HN    GLU-  79   2.31 +/- 0.05  99.947% * 99.4774% (0.56   3.81  15.47) = 100.000%  kept
          HN    VAL   75 - HN    GLU-  79   8.11 +/- 0.15   0.053% *  0.5226% (0.56   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 4.32, residual support = 53.7:
      O   HA    GLU-  79 - HN    GLU-  79   2.87 +/- 0.03  98.253% * 97.4085% (0.60   4.32  53.74) =  99.995%  kept
          HB    THR   77 - HN    GLU-  79   5.69 +/- 0.17   1.665% *  0.2759% (0.37   0.02   0.02) =   0.005%
          HA    SER   85 - HN    GLU-  79  10.13 +/- 0.16   0.051% *  0.2759% (0.37   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLU-  79  12.05 +/- 0.19   0.018% *  0.2393% (0.32   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    GLU-  79  14.17 +/- 0.41   0.007% *  0.3477% (0.47   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    GLU-  79  14.84 +/- 0.42   0.005% *  0.4459% (0.60   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLU-  79  21.44 +/- 0.45   0.001% *  0.3303% (0.44   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLU-  79  25.17 +/- 0.41   0.000% *  0.4549% (0.61   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLU-  79  30.80 +/- 2.96   0.000% *  0.2214% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 3.64, residual support = 15.5:
      O   HA    ASP-  78 - HN    GLU-  79   3.55 +/- 0.03  99.030% * 93.4937% (0.08   3.64  15.47) =  99.961%  kept
          HA    PHE   45 - HN    GLU-  79   7.71 +/- 0.18   0.964% *  3.7598% (0.60   0.02   0.02) =   0.039%
          HA    VAL   41 - HN    GLU-  79  18.41 +/- 0.27   0.005% *  1.9958% (0.32   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    GLU-  79  26.73 +/- 0.38   0.001% *  0.7507% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (5.00, 9.27, 119.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 11.0:
      O   HA    ASP-  76 - HN    THR   77   2.27 +/- 0.01 100.000% * 99.2768% (0.53   4.53  10.96) = 100.000%  kept
          HA    LEU   67 - HN    THR   77  22.38 +/- 0.34   0.000% *  0.7232% (0.87   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 0.566, support = 1.22, residual support = 3.84:
          HA    ALA   47 - HN    THR   77   2.95 +/- 0.18  99.575% * 88.9822% (0.57   1.22   3.84) =  99.989%  kept
          HA    CYS   50 - HN    THR   77   8.43 +/- 0.74   0.236% *  2.5179% (0.98   0.02   0.02) =   0.007%
          HA    TRP   49 - HN    THR   77   9.51 +/- 0.12   0.092% *  2.2283% (0.87   0.02   0.02) =   0.002%
          HA1   GLY  109 - HN    THR   77  11.07 +/- 0.36   0.040% *  2.4791% (0.97   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    THR   77  10.72 +/- 0.40   0.046% *  1.7645% (0.69   0.02   0.02) =   0.001%
          HA    VAL  108 - HN    THR   77  13.80 +/- 0.75   0.011% *  1.1517% (0.45   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    THR   77  21.98 +/- 0.56   0.001% *  0.8762% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 462 (4.45, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.248, support = 1.22, residual support = 12.2:
          HA    THR   46 - HN    THR   77   4.25 +/- 0.09  88.854% * 80.8941% (0.25   1.22  12.25) =  99.439%  kept
          HA    GLN   90 - HN    THR   77   6.10 +/- 0.36  10.853% *  3.6403% (0.69   0.02   0.02) =   0.547%
          HA    ALA  110 - HN    THR   77  12.16 +/- 0.25   0.164% *  3.0003% (0.57   0.02   0.02) =   0.007%
          HA    VAL   42 - HN    THR   77  14.29 +/- 0.15   0.061% *  4.5970% (0.87   0.02   0.02) =   0.004%
          HA    PHE   55 - HN    THR   77  15.09 +/- 0.59   0.046% *  4.5970% (0.87   0.02   0.02) =   0.003%
          HA    GLN   17 - HN    THR   77  17.34 +/- 0.45   0.019% *  1.6357% (0.31   0.02   0.02) =   0.000%
          HA    SER   37 - HN    THR   77  26.01 +/- 0.42   0.002% *  1.6357% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.02 A, kept.
 
    Peak 463 (4.29, 9.27, 119.07 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.02, residual support = 37.7:
      O   HB    THR   77 - HN    THR   77   3.48 +/- 0.01  97.962% * 95.9613% (0.76   4.02  37.70) =  99.994%  kept
          HA    GLU-  79 - HN    THR   77   7.03 +/- 0.07   1.456% *  0.1735% (0.28   0.02   0.02) =   0.003%
          HA    ASP-  44 - HN    THR   77   8.65 +/- 0.09   0.418% *  0.5212% (0.84   0.02   0.02) =   0.002%
          HA    SER   85 - HN    THR   77  11.41 +/- 0.25   0.080% *  0.4769% (0.76   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    THR   77  13.82 +/- 0.15   0.025% *  0.4997% (0.80   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   77  12.38 +/- 0.55   0.051% *  0.0963% (0.15   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    THR   77  18.86 +/- 0.40   0.004% *  0.4037% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    THR   77  23.43 +/- 1.01   0.001% *  0.4531% (0.73   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    THR   77  22.00 +/- 0.24   0.002% *  0.2129% (0.34   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    THR   77  28.89 +/- 1.59   0.000% *  0.5212% (0.84   0.02   0.02) =   0.000%
          HA    THR   39 - HN    THR   77  23.64 +/- 0.32   0.001% *  0.1389% (0.22   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   77  31.20 +/- 2.62   0.000% *  0.5413% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 5.04, residual support = 34.2:
        T HN    LEU   80 - HN    LYS+  81   3.35 +/- 0.15  93.961% * 98.5130% (0.65   5.04  34.22) =  99.982%  kept
          HN    SER   85 - HN    LYS+  81   5.31 +/- 0.05   6.028% *  0.2711% (0.45   0.02   0.02) =   0.018%
          HN    GLN   32 - HN    LYS+  81  17.33 +/- 0.30   0.005% *  0.5051% (0.84   0.02   0.02) =   0.000%
        T HN    ALA   34 - HN    LYS+  81  19.81 +/- 0.40   0.002% *  0.4622% (0.76   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  81  18.40 +/- 0.45   0.003% *  0.2486% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 466 (8.64, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 19.1:
        T HN    SER   82 - HN    LYS+  81   2.73 +/- 0.05  99.978% * 99.3593% (1.00   4.44  19.05) = 100.000%  kept
          HN    GLN   90 - HN    LYS+  81  11.24 +/- 0.40   0.021% *  0.1678% (0.38   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    LYS+  81  24.45 +/- 0.50   0.000% *  0.2353% (0.53   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    LYS+  81  24.03 +/- 0.86   0.000% *  0.0996% (0.22   0.02   0.02) =   0.000%
          HN    SER  117 - HN    LYS+  81  29.55 +/- 0.37   0.000% *  0.1380% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 5.32, residual support = 34.2:
      O   HA    LEU   80 - HN    LYS+  81   2.57 +/- 0.07  98.553% * 98.5265% (0.69   5.32  34.22) =  99.992%  kept
          HA    THR   23 - HN    LYS+  81   5.57 +/- 0.32   1.056% *  0.5290% (0.98   0.02   0.02) =   0.006%
          HA    ASP-  78 - HN    LYS+  81   6.94 +/- 0.28   0.269% *  0.5105% (0.95   0.02   0.02) =   0.001%
          HB    THR   23 - HN    LYS+  81   7.92 +/- 0.36   0.121% *  0.2839% (0.53   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LYS+  81  25.65 +/- 0.59   0.000% *  0.1501% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 5.31, residual support = 109.6:
      O   HA    LYS+  81 - HN    LYS+  81   2.75 +/- 0.02  99.992% * 98.8987% (0.99   5.31 109.60) = 100.000%  kept
          HA    ASN   28 - HN    LYS+  81  13.45 +/- 0.31   0.007% *  0.0837% (0.22   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  81  20.54 +/- 0.97   0.001% *  0.2731% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  81  25.31 +/- 0.30   0.000% *  0.3558% (0.95   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  81  25.43 +/- 0.38   0.000% *  0.0744% (0.20   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  81  36.43 +/- 0.71   0.000% *  0.3142% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 34.9:
      O   HA    SER   82 - HN    SER   82   2.76 +/- 0.02  99.939% * 94.1442% (0.25   4.20  34.89) =  99.999%  kept
          HA    GLU-  25 - HN    SER   82  10.03 +/- 0.51   0.047% *  1.4398% (0.80   0.02   0.02) =   0.001%
          HA    THR   26 - HN    SER   82  12.54 +/- 0.41   0.012% *  0.6749% (0.38   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    SER   82  17.33 +/- 0.25   0.002% *  1.7353% (0.97   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    SER   82  19.53 +/- 0.67   0.001% *  1.7625% (0.98   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    SER   82  29.04 +/- 0.62   0.000% *  0.2433% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.02, residual support = 0.02:
          HB    THR   23 - HN    SER   82   7.93 +/- 0.47  99.890% * 32.4951% (0.20   0.02   0.02) =  99.771%  kept
          HA    ASP- 105 - HN    SER   82  24.99 +/- 0.79   0.110% * 67.5049% (0.41   0.02   0.02) =   0.229%
    Distance limit 4.29 A violated in 20 structures by 3.64 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 = 20.9:
        T HN    VAL   83 - HN    SER   82   2.74 +/- 0.08  99.998% * 99.7424% (1.00   5.62  20.89) = 100.000%  kept
          HN    CYS   50 - HN    SER   82  16.73 +/- 0.26   0.002% *  0.2576% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 4.44, residual support = 19.1:
          HN    LYS+  81 - HN    SER   82   2.73 +/- 0.05  99.973% * 99.3247% (1.00   4.44  19.05) = 100.000%  kept
          HE3   TRP   27 - HN    SER   82  10.99 +/- 0.45   0.025% *  0.0997% (0.22   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    SER   82  17.47 +/- 0.43   0.002% *  0.3588% (0.80   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    SER   82  23.16 +/- 0.79   0.000% *  0.0785% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    SER   82  27.57 +/- 0.44   0.000% *  0.1383% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 7.32, residual support = 41.3:
        T HN    ALA   84 - HN    VAL   83   2.44 +/- 0.08  99.998% * 99.1372% (0.75   7.32  41.30) = 100.000%  kept
          HE21  GLN   32 - HN    VAL   83  17.19 +/- 1.91   0.001% *  0.2281% (0.63   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    VAL   83  21.49 +/- 0.57   0.000% *  0.2707% (0.75   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    VAL   83  20.91 +/- 0.59   0.000% *  0.1983% (0.55   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    VAL   83  23.59 +/- 0.36   0.000% *  0.1656% (0.46   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 20.9:
        T HN    SER   82 - HN    VAL   83   2.74 +/- 0.08  99.965% * 99.4930% (0.75   5.62  20.89) = 100.000%  kept
          HN    GLN   90 - HN    VAL   83  10.40 +/- 0.25   0.035% *  0.1328% (0.28   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    VAL   83  20.16 +/- 0.95   0.001% *  0.0788% (0.17   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    VAL   83  24.16 +/- 0.64   0.000% *  0.1862% (0.40   0.02   0.02) =   0.000%
          HN    SER  117 - HN    VAL   83  27.74 +/- 0.59   0.000% *  0.1092% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.47 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   2.65 +/- 0.10  99.991% * 99.3274% (0.99   3.77  20.65) = 100.000%  kept
          HN    THR   94 - HN    ALA   84  13.15 +/- 0.30   0.007% *  0.1184% (0.22   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ALA   84  16.89 +/- 0.47   0.002% *  0.4612% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ALA   84  19.11 +/- 0.41   0.001% *  0.0931% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 7.32, residual support = 41.3:
        T HN    VAL   83 - HN    ALA   84   2.44 +/- 0.08  99.998% * 99.8021% (1.00   7.32  41.30) = 100.000%  kept
          HN    CYS   50 - HN    ALA   84  14.45 +/- 0.26   0.002% *  0.1979% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 2.18, residual support = 4.93:
          HA    LYS+  81 - HN    ALA   84   3.24 +/- 0.12  99.967% * 95.5418% (0.80   2.18   4.93) = 100.000%  kept
          HA    ASN   28 - HN    ALA   84  12.94 +/- 0.48   0.027% *  0.5334% (0.49   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   84  20.02 +/- 0.93   0.002% *  1.0575% (0.97   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA   84  21.24 +/- 0.44   0.001% *  0.3382% (0.31   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   84  24.42 +/- 0.44   0.001% *  0.7527% (0.69   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   84  22.75 +/- 0.39   0.001% *  0.4913% (0.45   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   84  20.51 +/- 1.36   0.002% *  0.1919% (0.18   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   84  33.97 +/- 0.77   0.000% *  1.0933% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 478 (4.16, 6.59, 123.60 ppm):
    6 chemical-shift based assignments, quality = 0.418, support = 0.0198, residual support = 0.0198:
          HA    GLU-  25 - HN    VAL   83  10.26 +/- 0.62  71.528% * 13.1508% (0.34   0.02   0.02) =  61.536%  kept
          HA    THR   26 - HN    VAL   83  12.66 +/- 0.45  20.215% * 21.2999% (0.55   0.02   0.02) =  28.167%  kept
          HA    ILE   19 - HN    VAL   83  16.78 +/- 0.16   3.854% * 20.1488% (0.52   0.02   0.02) =   5.080%  kept
          HA    CYS   53 - HN    VAL   83  18.31 +/- 0.71   2.360% * 27.0775% (0.70   0.02   0.02) =   4.181%  kept
          HA1   GLY  101 - HN    VAL   83  19.38 +/- 1.56   1.803% *  7.3142% (0.19   0.02   0.02) =   0.863%
          HA    GLU- 114 - HN    VAL   83  26.79 +/- 0.74   0.240% * 11.0089% (0.28   0.02   0.02) =   0.173%
    Distance limit 4.28 A violated in 20 structures by 5.45 A, eliminated.
    Peak unassigned.
 
    Peak 479 (8.06, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.577, support = 2.6, residual support = 5.17:
        T HN    SER   85 - HN    VAL   83   3.91 +/- 0.07  90.662% * 98.0656% (0.58   2.60   5.17) =  99.964%  kept
          HN    LEU   80 - HN    VAL   83   5.73 +/- 0.12   9.290% *  0.3362% (0.26   0.02   0.02) =   0.035%
          HN    GLN   32 - HN    VAL   83  15.02 +/- 0.42   0.029% *  0.9836% (0.75   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    VAL   83  17.60 +/- 0.38   0.011% *  0.4419% (0.34   0.02   0.02) =   0.000%
        T HN    CYS   53 - HN    VAL   83  19.05 +/- 0.60   0.007% *  0.1726% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 4.08, residual support = 5.45:
          HN    SER   82 - HN    ALA   84   3.91 +/- 0.17  98.664% * 99.2032% (0.87   4.08   5.45) =  99.995%  kept
          HN    GLN   90 - HN    ALA   84   8.08 +/- 0.22   1.330% *  0.3846% (0.69   0.02   0.02) =   0.005%
          HN    ILE  103 - HN    ALA   84  20.66 +/- 0.66   0.005% *  0.2726% (0.49   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    ALA   84  24.78 +/- 0.55   0.002% *  0.1396% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 481 (8.32, 8.05, 111.48 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 3.33, residual support = 13.4:
          HN    ASP-  86 - HN    SER   85   2.45 +/- 0.02  99.998% * 97.4555% (0.80   3.33  13.42) = 100.000%  kept
          HN    GLN   30 - HN    SER   85  17.10 +/- 0.36   0.001% *  0.6337% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    SER   85  16.11 +/- 0.34   0.001% *  0.2742% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    SER   85  23.87 +/- 0.52   0.000% *  0.4726% (0.65   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    SER   85  26.69 +/- 1.76   0.000% *  0.5305% (0.73   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    SER   85  30.09 +/- 1.65   0.000% *  0.6337% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.37 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   2.65 +/- 0.10  99.902% * 97.8182% (0.90   3.77  20.65) = 100.000%  kept
          HZ2   TRP   87 - HN    SER   85   8.66 +/- 0.16   0.086% *  0.1013% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    SER   85  12.33 +/- 0.46   0.010% *  0.1786% (0.31   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    SER   85  21.45 +/- 0.51   0.000% *  0.5672% (0.98   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    SER   85  21.82 +/- 0.36   0.000% *  0.5189% (0.90   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    SER   85  20.89 +/- 1.99   0.000% *  0.2816% (0.49   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    SER   85  25.73 +/- 0.23   0.000% *  0.5341% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 483 (6.58, 8.05, 111.48 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.6, residual support = 5.17:
        T HN    VAL   83 - HN    SER   85   3.91 +/- 0.07  99.976% * 99.6372% (0.87   2.60   5.17) = 100.000%  kept
          HN    CYS   50 - HN    SER   85  15.80 +/- 0.28   0.024% *  0.3628% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 484 (4.29, 8.05, 111.48 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 18.0:
      O   HA    SER   85 - HN    SER   85   2.82 +/- 0.00  96.272% * 96.2963% (0.99   3.65  18.02) =  99.990%  kept
          HA    ASP-  86 - HN    SER   85   4.94 +/- 0.01   3.380% *  0.2384% (0.45   0.02  13.42) =   0.009%
          HB    THR   77 - HN    SER   85   8.40 +/- 0.28   0.142% *  0.5271% (0.99   0.02   0.02) =   0.001%
          HA    GLU-  79 - HN    SER   85   7.91 +/- 0.17   0.202% *  0.3226% (0.61   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    SER   85  16.14 +/- 0.26   0.003% *  0.5318% (1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    SER   85  21.82 +/- 0.54   0.000% *  0.5031% (0.95   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    SER   85  20.69 +/- 0.57   0.001% *  0.2186% (0.41   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    SER   85  20.93 +/- 0.39   0.001% *  0.0931% (0.18   0.02   0.02) =   0.000%
          HA    THR   39 - HN    SER   85  27.41 +/- 0.55   0.000% *  0.2798% (0.53   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    SER   85  29.46 +/- 1.08   0.000% *  0.1996% (0.38   0.02   0.02) =   0.000%
          HA    MET   11 - HN    SER   85  36.10 +/- 2.95   0.000% *  0.5306% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    SER   85  34.44 +/- 2.03   0.000% *  0.2589% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.571, support = 0.0192, residual support = 0.0192:
          HA    THR   26 - HN    SER   85  16.34 +/- 0.39  14.807% * 23.1039% (0.98   0.02   0.02) =  40.098%  kept
          HA    GLU-  25 - HN    SER   85  13.80 +/- 0.57  40.976% *  4.1279% (0.18   0.02   0.02) =  19.826%  kept
          HA    ASN   28 - HN    SER   85  14.82 +/- 0.44  26.719% *  5.2476% (0.22   0.02   0.02) =  16.434%  kept
          HA    CYS   53 - HN    SER   85  18.60 +/- 0.68   6.995% * 14.2963% (0.61   0.02   0.02) =  11.722%  kept
          HA    ILE   19 - HN    SER   85  19.88 +/- 0.16   4.605% *  8.0401% (0.34   0.02   0.02) =   4.340%  kept
          HA1   GLY  101 - HN    SER   85  22.40 +/- 1.34   2.370% * 13.3446% (0.57   0.02   0.02) =   3.708%  kept
          HA    ALA   34 - HN    SER   85  23.56 +/- 0.42   1.665% *  8.8463% (0.38   0.02   0.02) =   1.726%
          HA    GLU- 114 - HN    SER   85  27.54 +/- 0.44   0.656% * 17.1158% (0.73   0.02   0.02) =   1.315%
          HA    LEU  115 - HN    SER   85  24.87 +/- 0.29   1.207% *  5.8774% (0.25   0.02   0.02) =   0.832%
    Distance limit 3.86 A violated in 20 structures by 8.09 A, eliminated.
    Peak unassigned.
 
    Peak 486 (8.05, 8.31, 124.24 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 13.4:
        T HN    SER   85 - HN    ASP-  86   2.45 +/- 0.02  99.997% * 99.2396% (0.99   3.33  13.42) = 100.000%  kept
          HN    GLN   32 - HN    ASP-  86  18.41 +/- 0.64   0.001% *  0.5213% (0.87   0.02   0.02) =   0.000%
          HN    THR   94 - HN    ASP-  86  15.27 +/- 0.20   0.002% *  0.1338% (0.22   0.02   0.02) =   0.000%
        T HN    ALA   34 - HN    ASP-  86  20.97 +/- 0.53   0.000% *  0.1052% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 22.4:
          HN    TRP   87 - HN    ASP-  86   2.46 +/- 0.04  99.735% * 98.7385% (0.95   3.69  22.41) = 100.000%  kept
          HE3   TRP   87 - HN    ASP-  86   6.63 +/- 0.10   0.265% *  0.1746% (0.31   0.02  22.41) =   0.000%
          HN    GLN   17 - HN    ASP-  86  26.37 +/- 0.38   0.000% *  0.5646% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - HN    ASP-  86  30.30 +/- 1.23   0.000% *  0.5223% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.841, support = 4.02, residual support = 40.5:
      O   HA    ASP-  86 - HN    ASP-  86   2.80 +/- 0.01  76.999% * 85.9329% (0.87   4.05  41.59) =  96.282%  kept
      O   HA    SER   85 - HN    ASP-  86   3.49 +/- 0.01  20.716% * 12.3189% (0.15   3.27  13.42) =   3.713%  kept
          HA    TRP   87 - HN    ASP-  86   5.06 +/- 0.03   2.227% *  0.1359% (0.28   0.02  22.41) =   0.004%
          HB    THR   77 - HN    ASP-  86   9.37 +/- 0.22   0.056% *  0.0754% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  86  16.18 +/- 0.26   0.002% *  0.0967% (0.20   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  86  24.72 +/- 0.52   0.000% *  0.4718% (0.97   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  86  30.33 +/- 1.10   0.000% *  0.4513% (0.92   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  86  35.26 +/- 1.97   0.000% *  0.4083% (0.84   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  86  36.83 +/- 2.86   0.000% *  0.1088% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 22.4:
          HN    ASP-  86 - HN    TRP   87   2.46 +/- 0.04  99.998% * 98.4310% (1.00   3.69  22.41) = 100.000%  kept
          HN    GLN   30 - HN    TRP   87  18.34 +/- 0.72   0.001% *  0.5336% (1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    TRP   87  17.64 +/- 0.69   0.001% *  0.3883% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    TRP   87  22.26 +/- 0.51   0.000% *  0.1651% (0.31   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    TRP   87  25.48 +/- 2.01   0.000% *  0.2007% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    TRP   87  31.77 +/- 1.63   0.000% *  0.2813% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.856, support = 4.11, residual support = 66.8:
      O   HA    TRP   87 - HN    TRP   87   2.92 +/- 0.01  76.947% * 80.9784% (0.90   4.16  69.76) =  93.649%  kept
      O   HA    ASP-  86 - HN    TRP   87   3.58 +/- 0.01  23.053% * 18.3297% (0.25   3.39  22.41) =   6.351%  kept
          HA    LEU  104 - HN    TRP   87  23.79 +/- 0.41   0.000% *  0.2983% (0.69   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    TRP   87  25.27 +/- 0.28   0.000% *  0.1630% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    TRP   87  31.09 +/- 1.15   0.000% *  0.1340% (0.31   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    TRP   87  36.12 +/- 1.87   0.000% *  0.0967% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.294, support = 1.89, residual support = 69.8:
      O   HD1   TRP   87 - HE1   TRP   87   2.64 +/- 0.00  98.742% * 23.9602% (0.28   1.88  69.76) =  96.343%  kept
          HE3   TRP   87 - HE1   TRP   87   5.48 +/- 0.00   1.228% * 73.1338% (0.73   2.19  69.76) =   3.656%  kept
          HN    ALA   91 - HE1   TRP   87  11.11 +/- 0.42   0.018% *  0.9110% (0.99   0.02   0.02) =   0.001%
          HN    TRP   27 - HE1   TRP   87  12.23 +/- 0.92   0.011% *  0.8243% (0.90   0.02   0.02) =   0.000%
          HN    ALA   61 - HE1   TRP   87  21.65 +/- 0.31   0.000% *  0.8870% (0.97   0.02   0.02) =   0.000%
          HN    THR   39 - HE1   TRP   87  21.76 +/- 0.58   0.000% *  0.2837% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 0.8, support = 0.02, residual support = 0.02:
          HZ2   TRP   27 - HE1   TRP   87   8.33 +/- 0.65  99.620% * 80.1831% (0.80   0.02   0.02) =  99.906%  kept
          HZ    PHE   72 - HE1   TRP   87  21.35 +/- 0.51   0.380% * 19.8169% (0.20   0.02   0.02) =   0.094%
    Distance limit 4.21 A violated in 20 structures by 4.12 A, eliminated.
    Peak unassigned.
 
    Peak 493 (4.31, 7.82, 121.71 ppm):
    9 chemical-shift based assignments, quality = 0.272, support = 3.03, residual support = 5.07:
      O   HA    TRP   87 - HN    ALA   88   2.87 +/- 0.05  59.278% * 75.7966% (0.28   3.09   5.19) =  97.827%  kept
          HA    ASP-  86 - HN    ALA   88   4.33 +/- 0.07   4.972% * 18.1211% (0.87   0.24   0.02) =   1.962%
          HA    SER   85 - HN    ALA   88   3.13 +/- 0.11  35.684% *  0.2718% (0.15   0.02   0.02) =   0.211%
          HB    THR   77 - HN    ALA   88   8.96 +/- 0.31   0.065% *  0.2718% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   88  17.04 +/- 0.28   0.001% *  0.3486% (0.20   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   88  25.79 +/- 0.47   0.000% *  1.7001% (0.97   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   88  33.01 +/- 1.09   0.000% *  1.6262% (0.92   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   88  38.08 +/- 1.84   0.000% *  1.4715% (0.84   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   88  39.82 +/- 2.78   0.000% *  0.3922% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 494 (4.32, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.604, support = 0.789, residual support = 19.2:
          HA    TRP   87 - HN    ILE   89   4.54 +/- 0.08  87.734% * 74.8371% (0.61   0.81  19.88) =  96.668%  kept
          HA    ASP-  86 - HN    ILE   89   6.31 +/- 0.08  12.256% * 18.4642% (0.53   0.23   0.02) =   3.332%  kept
          HA    LEU  104 - HN    ILE   89  24.09 +/- 0.44   0.004% *  2.8888% (0.95   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    ILE   89  23.65 +/- 0.27   0.004% *  0.4712% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE   89  30.46 +/- 1.16   0.001% *  1.8523% (0.61   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE   89  35.65 +/- 1.83   0.000% *  1.4865% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 1 structures by 0.15 A, kept.
 
    Peak 495 (7.72, 8.62, 127.39 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 6.82, residual support = 33.4:
          HN    ALA   91 - HN    GLN   90   1.99 +/- 0.19  99.994% * 99.1461% (0.92   6.82  33.38) = 100.000%  kept
          HE3   TRP   87 - HN    GLN   90  10.20 +/- 0.15   0.006% *  0.3039% (0.97   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLN   90  17.71 +/- 0.51   0.000% *  0.1910% (0.61   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    GLN   90  19.66 +/- 0.33   0.000% *  0.3039% (0.97   0.02   0.02) =   0.000%
          HN    GLN   17 - HN    GLN   90  25.29 +/- 0.45   0.000% *  0.0551% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.418, support = 5.19, residual support = 86.3:
      O   HA    GLN   90 - HN    GLN   90   2.89 +/- 0.03  90.670% * 37.3257% (0.34   5.47  95.25) =  85.468%  kept
          HA    ALA   91 - HN    GLN   90   4.24 +/- 0.15   9.316% * 61.7702% (0.87   3.56  33.38) =  14.532%  kept
          HA    ALA  110 - HN    GLN   90  13.58 +/- 0.25   0.009% *  0.1795% (0.45   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    GLN   90  16.69 +/- 0.58   0.003% *  0.3864% (0.97   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    GLN   90  17.64 +/- 0.46   0.002% *  0.2590% (0.65   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   90  18.33 +/- 0.78   0.001% *  0.0792% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (6.79, 7.39, 112.01 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 1.0, residual support = 95.2:
      O T HE22  GLN   90 - HE21  GLN   90   1.73 +/- 0.00 100.000% * 97.3706% (0.92   1.00  95.25) = 100.000%  kept
        T HE22  GLN   32 - HE21  GLN   90  29.36 +/- 2.24   0.000% *  1.7621% (0.83   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN   90  28.94 +/- 1.73   0.000% *  0.8673% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (7.38, 6.80, 112.00 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 1.0, residual support = 95.2:
      O   HE21  GLN   90 - HE22  GLN   90   1.73 +/- 0.00  99.476% * 94.3291% (0.76   1.00  95.25) =  99.997%  kept
          HD21  ASN   35 - HE22  GLN   32   6.34 +/- 1.90   0.520% *  0.6127% (0.25   0.02   7.90) =   0.003%
          HD1   TRP   49 - HE22  GLN   90   9.92 +/- 1.35   0.004% *  0.3809% (0.15   0.02   1.50) =   0.000%
          HD2   HIS   22 - HE22  GLN   90  18.07 +/- 1.90   0.000% *  0.6156% (0.25   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   90  20.42 +/- 1.19   0.000% *  0.5496% (0.22   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   32  19.05 +/- 0.89   0.000% *  0.2362% (0.10   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE22  GLN   90  29.25 +/- 1.72   0.000% *  1.5970% (0.65   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN   32  29.36 +/- 2.24   0.000% *  0.7238% (0.29   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   90  28.91 +/- 1.54   0.000% *  0.4323% (0.18   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   32  30.36 +/- 0.70   0.000% *  0.2109% (0.09   0.02   0.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   32  30.31 +/- 1.40   0.000% *  0.1461% (0.06   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   32  33.97 +/- 0.94   0.000% *  0.1659% (0.07   0.02   0.02) =   0.000%
    Distance limit 2.50 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 = 6.82, residual support = 33.4:
        T HN    GLN   90 - HN    ALA   91   1.99 +/- 0.19  99.983% * 99.3590% (0.95   6.82  33.38) = 100.000%  kept
          HN    GLY  109 - HN    ALA   91  10.34 +/- 0.95   0.005% *  0.1620% (0.53   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  13.16 +/- 0.14   0.001% *  0.0686% (0.22   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27   9.58 +/- 0.33   0.010% *  0.0085% (0.03   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  21.72 +/- 1.42   0.000% *  0.3079% (1.00   0.02   0.02) =   0.000%
        T HN    GLN   90 - HN    TRP   27  17.71 +/- 0.51   0.000% *  0.0360% (0.12   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  19.65 +/- 0.76   0.000% *  0.0380% (0.12   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  21.71 +/- 0.61   0.000% *  0.0200% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 500 (5.58, 7.72, 122.85 ppm):
    2 chemical-shift based assignments, quality = 0.168, support = 0.02, residual support = 8.49:
          HA    LEU   73 - HN    TRP   27   9.28 +/- 0.18  97.772% * 10.9973% (0.08   0.02  10.05) =  84.427%  kept
          HA    LEU   73 - HN    ALA   91  17.46 +/- 0.45   2.228% * 89.0027% (0.65   0.02   0.02) =  15.573%  kept
    Distance limit 4.39 A violated in 20 structures by 4.85 A, eliminated.
    Peak unassigned.
 
    Peak 501 (4.49, 7.72, 122.85 ppm):
    10 chemical-shift based assignments, quality = 0.847, support = 3.52, residual support = 28.1:
      O   HA    ALA   91 - HN    ALA   91   2.87 +/- 0.01  45.020% * 84.3658% (1.00   3.28  14.43) =  82.920%  kept
      O   HA    TRP   27 - HN    TRP   27   2.78 +/- 0.04  54.961% * 14.2341% (0.12   4.72  94.76) =  17.079%  kept
          HA    PRO   52 - HN    ALA   91  12.82 +/- 1.29   0.007% *  0.1761% (0.34   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ALA   91  15.69 +/- 0.88   0.002% *  0.4883% (0.95   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   91  12.02 +/- 0.25   0.008% *  0.0904% (0.18   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  18.12 +/- 0.56   0.001% *  0.4883% (0.95   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  18.26 +/- 1.57   0.001% *  0.0636% (0.12   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  22.76 +/- 0.45   0.000% *  0.0603% (0.12   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  24.78 +/- 0.60   0.000% *  0.0218% (0.04   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    TRP   27  22.41 +/- 0.41   0.000% *  0.0112% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.45 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   4.10 +/- 0.29  99.406% * 98.2287% (0.99   3.55  14.21) =  99.999%  kept
          HD1   TRP   87 - HN    MET   92  10.13 +/- 1.25   0.466% *  0.1551% (0.28   0.02   0.02) =   0.001%
          HE3   TRP   87 - HN    MET   92  13.54 +/- 0.69   0.076% *  0.4052% (0.73   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    MET   92  15.37 +/- 1.21   0.036% *  0.5385% (0.97   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    MET   92  18.13 +/- 1.91   0.014% *  0.5004% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HN    MET   92  25.75 +/- 1.17   0.002% *  0.1722% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.94 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 = 63.6:
      O   HA    MET   92 - HN    MET   92   2.86 +/- 0.04  98.737% * 96.4866% (0.25   4.52  63.65) =  99.994%  kept
          HA    PHE   45 - HN    MET   92   6.79 +/- 1.76   1.261% *  0.4273% (0.25   0.02   0.02) =   0.006%
          HA    VAL   41 - HN    MET   92  18.83 +/- 1.03   0.001% *  1.3723% (0.80   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    MET   92  23.03 +/- 0.41   0.000% *  1.7138% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 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   2.33 +/- 0.22  99.972% * 98.2748% (0.80   3.55  14.21) = 100.000%  kept
          HA    PRO   52 - HN    MET   92  10.70 +/- 1.02   0.013% *  0.4746% (0.69   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    MET   92  12.75 +/- 0.77   0.006% *  0.4470% (0.65   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    MET   92  12.18 +/- 1.03   0.009% *  0.1367% (0.20   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    MET   92  17.34 +/- 1.84   0.001% *  0.6668% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 505 (8.75, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.3, residual support = 27.2:
        T HN    PHE   45 - HN    THR   94   2.80 +/- 0.17  98.815% * 99.3645% (0.95   3.30  27.20) =  99.992%  kept
          HN    ALA  110 - HN    THR   94   6.20 +/- 0.62   1.185% *  0.6355% (1.00   0.02   0.02) =   0.008%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 506 (5.60, 8.03, 115.19 ppm):
    1 chemical-shift based assignment, quality = 0.135, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - HN    THR   94   8.54 +/- 0.15 100.000% *100.0000% (0.14   0.02   0.02) = 100.000%  kept
    Distance limit 4.32 A violated in 20 structures by 4.22 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 = 15.5:
      O   HA    PRO   93 - HN    THR   94   2.17 +/- 0.01  99.967% * 99.5676% (0.22   4.09  15.48) = 100.000%  kept
          HA    ASP-  76 - HN    THR   94   8.33 +/- 0.40   0.033% *  0.4324% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 0.971, support = 0.02, residual support = 0.02:
          HA    MET   92 - HN    THR   94   5.71 +/- 0.24  89.263% * 54.6147% (1.00   0.02   0.02) =  93.227%  kept
          HA    LYS+  74 - HN    THR   94   8.17 +/- 0.22  10.628% * 33.1992% (0.61   0.02   0.02) =   6.747%  kept
          HA    HIS  122 - HN    THR   94  17.50 +/- 0.38   0.109% * 12.1862% (0.22   0.02   0.02) =   0.025%
    Distance limit 3.74 A violated in 20 structures by 1.86 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 = 40.7:
          HN    VAL  107 - HN    PHE   95   2.62 +/- 0.17  99.997% * 99.0525% (0.97   2.00  40.66) = 100.000%  kept
          HN    GLY   51 - HN    PHE   95  15.00 +/- 0.63   0.003% *  0.9475% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 3.87, residual support = 73.5:
          QD    PHE   95 - HN    PHE   95   3.03 +/- 0.49  99.818% * 99.3383% (0.87   3.87  73.53) = 100.000%  kept
          HN    ALA   47 - HN    PHE   95  11.21 +/- 0.26   0.053% *  0.5140% (0.87   0.02   0.02) =   0.000%
          QE    PHE   72 - HN    PHE   95   9.80 +/- 0.64   0.129% *  0.1477% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.82 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   4.33  73.53) = 100.000%  kept
    Distance limit 4.26 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 = 14.3:
      O   HA    THR   94 - HN    PHE   95   2.28 +/- 0.01  99.962% * 99.0684% (0.65   3.16  14.26) = 100.000%  kept
          HA    LYS+  74 - HN    PHE   95  10.06 +/- 0.25   0.014% *  0.7400% (0.76   0.02   0.02) =   0.000%
          HA    MET   92 - HN    PHE   95   9.12 +/- 0.26   0.025% *  0.1916% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.29 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 +/- 0.01 100.000% *100.0000% (0.95   4.00  11.99) = 100.000%  kept
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 514 (5.31, 9.32, 123.66 ppm):
    2 chemical-shift based assignments, quality = 0.938, support = 4.09, residual support = 115.5:
      O   HA    MET   96 - HN    MET   96   2.92 +/- 0.00  99.697% * 99.9026% (0.94   4.09 115.53) = 100.000%  kept
          HA    PHE   72 - HN    MET   96   7.68 +/- 0.14   0.303% *  0.0974% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 4.64, residual support = 60.6:
        T HN    ASP- 105 - HN    PHE   97   3.20 +/- 0.10  99.998% * 99.9146% (1.00   4.64  60.61) = 100.000%  kept
          HN    ALA   88 - HN    PHE   97  20.29 +/- 0.35   0.002% *  0.0854% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 516 (7.12, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.09, residual support = 62.6:
          QD    PHE   97 - HN    PHE   97   2.92 +/- 0.32  99.997% * 98.9924% (0.80   4.09  62.60) = 100.000%  kept
          HZ3   TRP   87 - HN    PHE   97  17.53 +/- 0.35   0.003% *  0.5239% (0.87   0.02   0.02) =   0.000%
          HE3   TRP   49 - HN    PHE   97  22.83 +/- 0.66   0.001% *  0.4837% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 517 (5.62, 8.40, 123.79 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.37, residual support = 12.8:
          HA    LYS+ 106 - HN    PHE   97   3.26 +/- 0.12 100.000% *100.0000% (0.98   3.37  12.79) = 100.000%  kept
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 518 (5.31, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 6.07, residual support = 45.8:
      O   HA    MET   96 - HN    PHE   97   2.22 +/- 0.02  99.984% * 99.9343% (0.99   6.07  45.77) = 100.000%  kept
          HA    PHE   72 - HN    PHE   97   9.51 +/- 0.19   0.016% *  0.0657% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 4.74, residual support = 18.0:
        T HN    VAL   41 - HN    LEU   98   2.86 +/- 0.26 100.000% *100.0000% (0.69   4.74  17.95) = 100.000%  kept
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 520 (5.50, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.21, residual support = 81.3:
      O   HA    LEU   98 - HN    LEU   98   2.92 +/- 0.01 100.000% *100.0000% (0.80   5.21  81.31) = 100.000%  kept
    Distance limit 4.15 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 = 3.46, residual support = 11.0:
      O   HA    PHE   97 - HN    LEU   98   2.20 +/- 0.00 100.000% *100.0000% (0.98   3.46  11.00) = 100.000%  kept
    Distance limit 3.11 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 = 0.497, support = 1.77, residual support = 6.8:
          HA    LEU   40 - HN    LEU   98   4.37 +/- 0.22  30.325% * 74.6136% (0.53   2.39  10.70) =  62.650%  kept
          HA    VAL   42 - HN    LEU   98   3.74 +/- 0.31  69.596% * 19.3809% (0.45   0.73   0.26) =  37.347%  kept
          HA    SER   37 - HN    LEU   98  13.32 +/- 0.52   0.036% *  1.1453% (0.97   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    LEU   98  15.20 +/- 0.48   0.016% *  1.1453% (0.97   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   98  16.33 +/- 0.28   0.010% *  1.1762% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU   98  16.54 +/- 0.99   0.010% *  0.8617% (0.73   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   98  17.76 +/- 0.25   0.006% *  0.8152% (0.69   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   98  22.96 +/- 1.40   0.001% *  0.8617% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 523 (7.77, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 0.663, residual support = 1.32:
          HN    LYS+ 102 - HN    LYS+  99   2.51 +/- 0.37  99.058% * 94.1730% (0.95   0.66   1.32) =  99.994%  kept
          HN    ASP- 105 - HN    LYS+  99   6.00 +/- 0.17   0.771% *  0.5260% (0.18   0.02   0.02) =   0.004%
          HN    THR   39 - HN    LYS+  99   8.80 +/- 0.52   0.077% *  1.1272% (0.38   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    LYS+  99  11.74 +/- 0.66   0.014% *  2.4048% (0.80   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    GLN   30   8.99 +/- 0.11   0.065% *  0.1580% (0.05   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  99  19.44 +/- 0.50   0.001% *  1.2347% (0.41   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLN   30  12.37 +/- 0.34   0.010% *  0.0741% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    GLN   30  15.97 +/- 1.12   0.002% *  0.1866% (0.06   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLN   30  16.44 +/- 0.88   0.002% *  0.0811% (0.03   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLN   30  18.27 +/- 0.53   0.001% *  0.0346% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 524 (5.51, 8.33, 118.17 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.96, residual support = 15.7:
      O   HA    LEU   98 - HN    LYS+  99   2.29 +/- 0.05  99.999% * 99.9668% (0.99   3.96  15.74) = 100.000%  kept
          HA    LEU   98 - HN    GLN   30  15.25 +/- 0.64   0.001% *  0.0332% (0.07   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 5.07, residual support = 172.3:
      O   HA    LYS+  99 - HN    LYS+  99   2.89 +/- 0.02  99.726% * 98.1710% (0.80   5.07 172.32) =  99.999%  kept
          HA    ASN   35 - HN    LYS+  99   8.37 +/- 0.70   0.210% *  0.3129% (0.65   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    GLN   30  10.37 +/- 0.17   0.047% *  0.0206% (0.04   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  99  15.75 +/- 0.78   0.004% *  0.2354% (0.49   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    LYS+  99  18.55 +/- 0.34   0.001% *  0.2934% (0.61   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  99  20.48 +/- 0.37   0.001% *  0.2934% (0.61   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LYS+  99  22.70 +/- 0.34   0.000% *  0.4826% (1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLN   30  14.17 +/- 0.66   0.008% *  0.0254% (0.05   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    LYS+  99  22.88 +/- 0.70   0.000% *  0.0746% (0.15   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLN   30  22.34 +/- 0.44   0.000% *  0.0193% (0.04   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLN   30  22.86 +/- 0.47   0.000% *  0.0193% (0.04   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN   30  20.66 +/- 0.86   0.001% *  0.0049% (0.01   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLN   30  25.53 +/- 0.77   0.000% *  0.0155% (0.03   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLN   30  30.13 +/- 0.52   0.000% *  0.0317% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 526 (8.85, 10.11, 128.03 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.61, residual support = 14.9:
        T HN    GLY  101 - HN    GLU- 100   2.68 +/- 0.28  98.554% * 99.9250% (1.00   3.61  14.95) =  99.999%  kept
          HN    LEU   40 - HN    GLU- 100   5.67 +/- 0.45   1.446% *  0.0750% (0.14   0.02   0.02) =   0.001%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 527 (4.37, 10.11, 128.03 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.78, residual support = 40.1:
      O   HA    LYS+  99 - HN    GLU- 100   2.20 +/- 0.03  97.032% * 98.8159% (0.99   6.78  40.14) =  99.997%  kept
          HA    ASN   35 - HN    GLU- 100   5.44 +/- 0.65   0.624% *  0.2716% (0.92   0.02   0.02) =   0.002%
          HA    LEU   40 - HN    GLU- 100   4.24 +/- 0.43   2.343% *  0.0582% (0.20   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    GLU- 100  16.98 +/- 0.79   0.000% *  0.2356% (0.80   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU- 100  23.08 +/- 0.38   0.000% *  0.2639% (0.90   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 100  20.69 +/- 0.34   0.000% *  0.0908% (0.31   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU- 100  26.03 +/- 0.36   0.000% *  0.2639% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 529 (7.77, 8.85, 104.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.13, residual support = 12.5:
          HN    LYS+ 102 - HN    GLY  101   2.31 +/- 0.29  99.809% * 98.8242% (0.95   3.13  12.53) =  99.999%  kept
          HN    THR   39 - HN    GLY  101   7.41 +/- 0.70   0.119% *  0.2504% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    GLY  101   9.13 +/- 0.89   0.041% *  0.5343% (0.80   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLY  101   9.19 +/- 0.22   0.031% *  0.1169% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLY  101  19.76 +/- 0.66   0.000% *  0.2743% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 0.663, residual support = 1.32:
          HN    LYS+  99 - HN    LYS+ 102   2.51 +/- 0.37  99.936% * 93.1676% (0.98   0.66   1.32) =  99.999%  kept
          HE1   HIS  122 - HN    LYS+ 102  12.66 +/- 3.12   0.022% *  2.7125% (0.95   0.02   0.02) =   0.001%
          HN    ASN   35 - HN    LYS+ 102   9.98 +/- 1.06   0.039% *  0.4424% (0.15   0.02   0.02) =   0.000%
          HN    GLN   30 - HN    LYS+ 102  15.97 +/- 1.12   0.002% *  0.7150% (0.25   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    LYS+ 102  25.15 +/- 1.82   0.000% *  2.3951% (0.84   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    LYS+ 102  22.91 +/- 0.90   0.000% *  0.5675% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 531 (8.85, 7.76, 120.90 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.13, residual support = 12.5:
        T HN    GLY  101 - HN    LYS+ 102   2.31 +/- 0.29  99.968% * 99.9134% (1.00   3.13  12.53) = 100.000%  kept
          HN    LEU   40 - HN    LYS+ 102   8.98 +/- 0.48   0.032% *  0.0866% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 532 (10.10, 8.85, 104.25 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.61, residual support = 14.9:
        T HN    GLU- 100 - HN    GLY  101   2.68 +/- 0.28 100.000% *100.0000% (0.80   3.61  14.95) = 100.000%  kept
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (4.37, 8.85, 104.25 ppm):
    7 chemical-shift based assignments, quality = 0.99, support = 1.43, residual support = 1.43:
          HA    LYS+  99 - HN    GLY  101   3.36 +/- 0.34  88.520% * 94.6250% (0.99   1.43   1.43) =  99.880%  kept
          HA    ASN   35 - HN    GLY  101   5.63 +/- 0.95   7.210% *  1.2330% (0.92   0.02   0.02) =   0.106%
          HA    LEU   40 - HN    GLY  101   5.69 +/- 0.61   4.262% *  0.2643% (0.20   0.02   0.02) =   0.013%
          HA    LEU  123 - HN    GLY  101  18.42 +/- 0.78   0.004% *  1.0696% (0.80   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLY  101  23.01 +/- 0.57   0.001% *  1.1979% (0.90   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLY  101  21.18 +/- 0.50   0.002% *  0.4123% (0.31   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLY  101  25.86 +/- 0.36   0.001% *  1.1979% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 534 (4.14, 8.85, 104.25 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 2.86, residual support = 15.4:
      O   HA1   GLY  101 - HN    GLY  101   2.35 +/- 0.08  99.918% * 96.7495% (1.00   2.86  15.44) =  99.999%  kept
          HA    ALA   34 - HN    GLY  101   8.14 +/- 1.02   0.077% *  0.6546% (0.97   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    GLY  101  13.14 +/- 0.98   0.003% *  0.5666% (0.84   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLY  101  18.39 +/- 0.94   0.000% *  0.4388% (0.65   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLY  101  19.46 +/- 0.33   0.000% *  0.5884% (0.87   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLY  101  22.02 +/- 0.54   0.000% *  0.6417% (0.95   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLY  101  20.09 +/- 1.00   0.000% *  0.1510% (0.22   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    GLY  101  26.82 +/- 0.66   0.000% *  0.2094% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 6.69, residual support = 37.9:
          HN    LEU  104 - HN    ILE  103   4.51 +/- 0.03  99.957% * 99.4012% (0.49   6.69  37.92) = 100.000%  kept
          HN    PHE   72 - HN    ILE  103  16.47 +/- 0.29   0.043% *  0.5988% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.08 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   2.22 +/- 0.06  99.999% * 99.2659% (0.97   5.97  22.42) = 100.000%  kept
          HA1   GLY  109 - HN    ILE  103  17.63 +/- 0.60   0.000% *  0.1175% (0.34   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ILE  103  20.50 +/- 0.53   0.000% *  0.2365% (0.69   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  103  20.69 +/- 0.47   0.000% *  0.1063% (0.31   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    ILE  103  26.01 +/- 0.95   0.000% *  0.1063% (0.31   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ILE  103  29.15 +/- 0.47   0.000% *  0.1676% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (4.28, 8.62, 122.05 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 7.01, residual support = 138.2:
      O   HA    ILE  103 - HN    ILE  103   2.80 +/- 0.01  99.979% * 98.0060% (0.98   7.01 138.21) = 100.000%  kept
          HA    THR   39 - HN    ILE  103  12.47 +/- 0.32   0.013% *  0.2382% (0.84   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ILE  103  14.14 +/- 0.39   0.006% *  0.2473% (0.87   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ILE  103  21.16 +/- 0.56   0.001% *  0.2632% (0.92   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ILE  103  23.97 +/- 0.60   0.000% *  0.2632% (0.92   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ILE  103  21.40 +/- 0.42   0.001% *  0.1172% (0.41   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ILE  103  24.78 +/- 0.68   0.000% *  0.2557% (0.90   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ILE  103  21.47 +/- 0.77   0.001% *  0.0564% (0.20   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ILE  103  28.80 +/- 0.76   0.000% *  0.2071% (0.73   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ILE  103  32.39 +/- 3.13   0.000% *  0.2382% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE  103  27.29 +/- 1.20   0.000% *  0.0440% (0.15   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE  103  31.16 +/- 2.47   0.000% *  0.0635% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 538 (7.80, 9.38, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 7.04, residual support = 30.8:
        T HN    ASP- 105 - HN    LEU  104   2.39 +/- 0.02 100.000% * 99.9437% (1.00   7.04  30.77) = 100.000%  kept
          HN    ALA   88 - HN    LEU  104  23.42 +/- 0.47   0.000% *  0.0563% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 539 (5.50, 9.38, 128.74 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.51, residual support = 7.82:
          HA    LEU   98 - HN    LEU  104   2.10 +/- 0.10 100.000% *100.0000% (0.80   3.51   7.82) = 100.000%  kept
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 540 (4.29, 9.38, 128.74 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 6.92, residual support = 37.9:
      O   HA    ILE  103 - HN    LEU  104   2.18 +/- 0.01  99.986% * 97.9027% (0.95   6.92  37.92) = 100.000%  kept
          HA    THR   39 - HN    LEU  104  10.33 +/- 0.24   0.009% *  0.1574% (0.53   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU  104  11.73 +/- 0.21   0.004% *  0.2992% (1.00   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU  104  20.52 +/- 0.36   0.000% *  0.2966% (0.99   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU  104  18.10 +/- 0.28   0.000% *  0.0524% (0.18   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU  104  24.90 +/- 0.36   0.000% *  0.2966% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU  104  24.16 +/- 0.45   0.000% *  0.1815% (0.61   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    LEU  104  23.14 +/- 0.52   0.000% *  0.1342% (0.45   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    LEU  104  24.21 +/- 1.04   0.000% *  0.1123% (0.38   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU  104  29.69 +/- 2.83   0.000% *  0.2986% (1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU  104  26.56 +/- 0.63   0.000% *  0.1230% (0.41   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    LEU  104  28.19 +/- 2.17   0.000% *  0.1456% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 4.64, residual support = 60.6:
        T HN    PHE   97 - HN    ASP- 105   3.20 +/- 0.10  99.967% * 98.9839% (0.73   4.64  60.61) = 100.000%  kept
          HN    LEU  115 - HN    ASP- 105  13.10 +/- 0.21   0.022% *  0.4264% (0.73   0.02   0.02) =   0.000%
          HN    ASN   35 - HN    ASP- 105  14.79 +/- 0.52   0.011% *  0.1633% (0.28   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ASP- 105  29.48 +/- 2.14   0.000% *  0.4264% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 542 (9.39, 7.80, 116.22 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 7.04, residual support = 30.8:
        T HN    LEU  104 - HN    ASP- 105   2.39 +/- 0.02  99.997% * 99.9495% (0.87   7.04  30.77) = 100.000%  kept
          HN    PHE   72 - HN    ASP- 105  13.86 +/- 0.26   0.003% *  0.0505% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 543 (5.63, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 5.15, residual support = 131.1:
      O   HA    LYS+ 106 - HN    LYS+ 106   2.87 +/- 0.00 100.000% *100.0000% (0.95   5.15 131.09) = 100.000%  kept
    Distance limit 3.82 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 = 3.6, residual support = 21.4:
      O   HA    ASP- 105 - HN    LYS+ 106   2.63 +/- 0.05  99.999% * 98.3067% (0.92   3.60  21.37) = 100.000%  kept
          HA    LEU   80 - HN    LYS+ 106  23.06 +/- 0.69   0.000% *  0.5603% (0.95   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+ 106  25.72 +/- 0.43   0.000% *  0.5910% (1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HN    LYS+ 106  24.15 +/- 0.44   0.000% *  0.3592% (0.61   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    LYS+ 106  22.78 +/- 0.30   0.000% *  0.1828% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 4.43, residual support = 39.4:
      O   HA    ASP- 105 - HN    ASP- 105   2.78 +/- 0.04  99.999% * 98.6217% (0.92   4.43  39.37) = 100.000%  kept
          HA    LEU   80 - HN    ASP- 105  22.24 +/- 0.71   0.000% *  0.4560% (0.95   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP- 105  23.99 +/- 0.44   0.000% *  0.4810% (1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HN    ASP- 105  22.80 +/- 0.44   0.000% *  0.2924% (0.61   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ASP- 105  23.45 +/- 0.27   0.000% *  0.1488% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 0.469, support = 4.75, residual support = 20.3:
      O   HA    LEU  104 - HN    ASP- 105   3.57 +/- 0.02  55.074% * 51.4215% (0.34   6.12  30.77) =  58.140%  kept
          HA    ILE  103 - HN    ASP- 105   3.70 +/- 0.09  44.810% * 45.5010% (0.65   2.86   5.80) =  41.859%  kept
          HA    ASP-  44 - HN    ASP- 105  10.71 +/- 0.18   0.076% *  0.4114% (0.84   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ASP- 105  12.21 +/- 0.24   0.035% *  0.1097% (0.22   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ASP- 105  19.63 +/- 0.33   0.002% *  0.3764% (0.76   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP- 105  23.11 +/- 0.52   0.001% *  0.3944% (0.80   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP- 105  24.57 +/- 0.31   0.001% *  0.3764% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP- 105  24.86 +/- 0.92   0.001% *  0.3577% (0.73   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP- 105  29.04 +/- 1.93   0.000% *  0.4114% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ASP- 105  23.91 +/- 0.40   0.001% *  0.1369% (0.28   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP- 105  30.72 +/- 2.68   0.000% *  0.4272% (0.87   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ASP- 105  24.91 +/- 0.64   0.000% *  0.0760% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 2.49:
          QD    PHE   97 - HN    VAL  107   4.22 +/- 0.20  99.972% * 98.5222% (0.87   1.50   2.49) = 100.000%  kept
          HZ3   TRP   87 - HN    VAL  107  17.97 +/- 0.74   0.018% *  1.2126% (0.80   0.02   0.02) =   0.000%
          HE3   TRP   49 - HN    VAL  107  19.64 +/- 0.90   0.010% *  0.2652% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 548 (5.62, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.24, residual support = 19.9:
      O   HA    LYS+ 106 - HN    VAL  107   2.30 +/- 0.05 100.000% *100.0000% (0.98   4.24  19.87) = 100.000%  kept
    Distance limit 3.12 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 = 53.5:
      O   HA    VAL  107 - HN    VAL  107   2.94 +/- 0.00  99.712% * 98.5976% (0.95   3.66  53.50) = 100.000%  kept
          HA    ALA  110 - HN    VAL  107   7.89 +/- 0.19   0.271% *  0.0998% (0.18   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  107  13.84 +/- 0.39   0.009% *  0.5688% (1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  107  17.81 +/- 0.35   0.002% *  0.5393% (0.95   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  107  15.29 +/- 0.95   0.005% *  0.1945% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 5.85, residual support = 60.6:
          QD    PHE   97 - HN    ASP- 105   3.98 +/- 0.19  99.991% * 99.6171% (0.87   5.85  60.61) = 100.000%  kept
          HZ3   TRP   87 - HN    ASP- 105  19.49 +/- 0.47   0.008% *  0.3142% (0.80   0.02   0.02) =   0.000%
          HE3   TRP   49 - HN    ASP- 105  25.74 +/- 0.74   0.001% *  0.0687% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 0.262, support = 0.02, residual support = 0.02:
          HA    THR   94 - HN    GLY  109   3.91 +/- 0.46  95.325% * 19.2756% (0.26   0.02   0.02) =  93.868%  kept
          HA    MET   92 - HN    GLY  109   6.55 +/- 0.63   4.621% * 25.3346% (0.34   0.02   0.02) =   5.980%  kept
          HA    LYS+  74 - HN    GLY  109  13.75 +/- 0.59   0.054% * 55.3898% (0.74   0.02   0.02) =   0.152%
    Distance limit 4.38 A violated in 2 structures by 0.05 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 = 0.547, support = 2.18, residual support = 8.45:
      O   HA1   GLY  109 - HN    GLY  109   2.30 +/- 0.10  44.620% * 57.4454% (0.73   1.76   9.35) =  53.500%  kept
      O   HA    VAL  108 - HN    GLY  109   2.22 +/- 0.04  55.377% * 40.2295% (0.34   2.66   7.42) =  46.500%  kept
          HA    CYS   50 - HN    GLY  109  12.86 +/- 0.55   0.002% *  0.6622% (0.74   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    GLY  109  13.10 +/- 0.72   0.001% *  0.3825% (0.43   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    GLY  109  16.98 +/- 0.66   0.000% *  0.5860% (0.65   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY  109  20.03 +/- 0.60   0.000% *  0.4640% (0.52   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY  109  18.05 +/- 0.46   0.000% *  0.2304% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 9.11:
          HN    LYS+ 111 - HN    ALA  110   3.57 +/- 0.28  98.223% * 97.3109% (0.90   3.04   9.11) =  99.987%  kept
          HN    ILE   56 - HN    ALA  110   7.23 +/- 0.63   1.740% *  0.6990% (0.98   0.02   6.82) =   0.013%
          HN    LEU   63 - HN    ALA  110  14.82 +/- 0.60   0.022% *  0.6583% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA  110  17.69 +/- 0.66   0.008% *  0.6396% (0.90   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA  110  19.26 +/- 1.25   0.005% *  0.1249% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA  110  23.32 +/- 0.67   0.001% *  0.2201% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA  110  29.34 +/- 1.70   0.000% *  0.3471% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 554 (4.57, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 2.07, residual support = 6.47:
      O   HA1   GLY  109 - HN    ALA  110   2.69 +/- 0.26  99.204% * 95.5707% (0.69   2.07   6.47) =  99.991%  kept
          HA    VAL  108 - HN    ALA  110   6.29 +/- 0.24   0.715% *  1.0777% (0.80   0.02   0.02) =   0.008%
          HA    CYS   50 - HN    ALA  110   9.72 +/- 0.48   0.055% *  0.9773% (0.73   0.02   0.02) =   0.001%
          HA    ALA   47 - HN    ALA  110  11.68 +/- 0.53   0.019% *  1.2070% (0.90   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ALA  110  14.07 +/- 0.51   0.006% *  0.7081% (0.53   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA  110  20.39 +/- 0.68   0.001% *  0.4591% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 555 (4.49, 8.75, 122.21 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.74, residual support = 9.58:
      O   HA    ALA  110 - HN    ALA  110   2.83 +/- 0.16  99.455% * 88.1192% (0.18   2.74   9.58) =  99.986%  kept
          HA    VAL  107 - HN    ALA  110   8.32 +/- 0.39   0.154% *  3.4786% (0.95   0.02   0.02) =   0.006%
          HA    PRO   52 - HN    ALA  110   7.84 +/- 1.02   0.302% *  1.2544% (0.34   0.02   0.02) =   0.004%
          HA    ALA   91 - HN    ALA  110   9.28 +/- 0.44   0.088% *  3.6692% (1.00   0.02   0.02) =   0.004%
          HA    TRP   27 - HN    ALA  110  21.43 +/- 0.67   0.001% *  3.4786% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 5.35, residual support = 26.4:
        T HN    LYS+ 112 - HN    LYS+ 111   4.11 +/- 0.10  99.819% * 99.3194% (0.99   5.35  26.37) = 100.000%  kept
          HN    THR   46 - HN    LYS+ 111  12.33 +/- 0.23   0.139% *  0.0742% (0.20   0.02   0.02) =   0.000%
          HN    LYS+  74 - HN    LYS+ 111  17.27 +/- 0.29   0.018% *  0.2123% (0.57   0.02   0.02) =   0.000%
          HN    ASP-  78 - HN    LYS+ 111  16.66 +/- 0.31   0.023% *  0.0578% (0.15   0.02   0.02) =   0.000%
          HN    MET   11 - HN    LYS+ 111  36.72 +/- 2.64   0.000% *  0.3362% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.05 A, kept.
 
    Peak 557 (8.75, 7.58, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.04, residual support = 9.11:
        T HN    ALA  110 - HN    LYS+ 111   3.57 +/- 0.28  99.747% * 99.3807% (1.00   3.04   9.11) =  99.998%  kept
          HN    PHE   45 - HN    LYS+ 111   9.83 +/- 0.23   0.253% *  0.6193% (0.95   0.02   0.02) =   0.002%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 558 (6.86, 7.58, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.881, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HN    LYS+ 111  10.43 +/- 0.25  61.005% * 58.2608% (1.00   0.02   0.02) =  81.413%  kept
          HE22  GLN  116 - HN    LYS+ 111  12.57 +/- 0.72  20.684% * 19.8732% (0.34   0.02   0.02) =   9.416%  kept
          HD2   HIS  122 - HN    LYS+ 111  12.76 +/- 0.45  18.312% * 21.8659% (0.38   0.02   0.02) =   9.172%  kept
    Distance limit 4.45 A violated in 20 structures by 5.14 A, eliminated.
    Peak unassigned.
 
    Peak 559 (4.48, 7.58, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 3.04, residual support = 9.11:
      O   HA    ALA  110 - HN    LYS+ 111   2.60 +/- 0.18  99.141% * 95.7618% (0.45   3.04   9.11) =  99.988%  kept
          HA    VAL  107 - HN    LYS+ 111   5.89 +/- 0.17   0.799% *  1.3551% (0.97   0.02   0.02) =   0.011%
          HA    PHE   55 - HN    LYS+ 111   9.53 +/- 0.61   0.048% *  0.2779% (0.20   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LYS+ 111  12.34 +/- 0.54   0.011% *  1.2180% (0.87   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LYS+ 111  16.22 +/- 1.07   0.002% *  0.4790% (0.34   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LYS+ 111  22.26 +/- 0.28   0.000% *  0.9083% (0.65   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 560 (4.54, 8.49, 124.18 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 7.1, residual support = 26.4:
      O   HA    LYS+ 111 - HN    LYS+ 112   2.27 +/- 0.04  99.981% * 99.4596% (0.53   7.10  26.37) = 100.000%  kept
          HA    VAL  108 - HN    LYS+ 112   9.58 +/- 0.35   0.019% *  0.3016% (0.57   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    LYS+ 112  16.39 +/- 0.55   0.001% *  0.2388% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 3.88, residual support = 20.3:
        T HN    GLU- 114 - HN    ASP- 113   2.56 +/- 0.11  97.101% * 98.6223% (0.81   3.88  20.30) =  99.986%  kept
          HN    GLN  116 - HN    ASP- 113   4.67 +/- 0.20   2.753% *  0.4824% (0.76   0.02   1.50) =   0.014%
          HN    THR  118 - HN    ASP- 113   7.74 +/- 0.23   0.136% *  0.3479% (0.55   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    ASP- 113  11.88 +/- 0.27   0.010% *  0.2211% (0.35   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ASP- 113  23.43 +/- 0.38   0.000% *  0.3262% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 3.88, residual support = 20.3:
        T HN    ASP- 113 - HN    GLU- 114   2.56 +/- 0.11 100.000% *100.0000% (1.00   3.88  20.30) = 100.000%  kept
    Distance limit 3.05 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 = 3.81, residual support = 38.9:
      O   HA    GLU- 114 - HN    GLU- 114   2.80 +/- 0.03  97.261% * 97.9634% (0.97   3.81  38.94) =  99.992%  kept
          HA    LEU  115 - HN    GLU- 114   5.10 +/- 0.11   2.726% *  0.2804% (0.53   0.02  19.72) =   0.008%
          HA    CYS   53 - HN    GLU- 114  12.65 +/- 0.41   0.012% *  0.1645% (0.31   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU- 114  23.99 +/- 0.47   0.000% *  0.4622% (0.87   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU- 114  25.99 +/- 0.42   0.000% *  0.3660% (0.69   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLU- 114  30.57 +/- 0.38   0.000% *  0.5041% (0.95   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLU- 114  27.60 +/- 0.62   0.000% *  0.2594% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 564 (4.53, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 2.09, residual support = 5.37:
          HA    LYS+ 111 - HN    ASP- 113   3.29 +/- 0.12  99.785% * 99.1609% (0.74   2.09   5.37) =  99.999%  kept
          HA    VAL  108 - HN    ASP- 113  10.02 +/- 0.48   0.143% *  0.2733% (0.21   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ASP- 113  11.24 +/- 0.74   0.070% *  0.3739% (0.29   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    ASP- 113  18.84 +/- 0.52   0.003% *  0.1919% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 565 (4.37, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.851, support = 3.3, residual support = 13.9:
      O   HA    ASP- 113 - HN    ASP- 113   2.81 +/- 0.04  99.806% * 98.0334% (0.85   3.30  13.90) =  99.999%  kept
          HA    ILE   56 - HN    ASP- 113   8.32 +/- 0.33   0.153% *  0.3613% (0.52   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    ASP- 113  10.43 +/- 0.38   0.039% *  0.3613% (0.52   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASP- 113  18.07 +/- 0.22   0.001% *  0.2899% (0.41   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP- 113  23.71 +/- 0.24   0.000% *  0.4769% (0.68   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP- 113  28.90 +/- 0.53   0.000% *  0.3853% (0.55   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP- 113  25.15 +/- 0.52   0.000% *  0.0919% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.845, support = 6.6, residual support = 63.2:
        T HN    GLN  116 - HN    LEU  115   2.78 +/- 0.07  37.041% * 68.7845% (0.99   7.61  95.33) =  57.527%  kept
          HN    GLU- 114 - HN    LEU  115   2.56 +/- 0.11  61.014% * 30.8247% (0.65   5.22  19.72) =  42.465%  kept
          HN    THR  118 - HN    LEU  115   4.56 +/- 0.13   1.921% *  0.1726% (0.95   0.02   0.14) =   0.007%
          HN    PHE   60 - HN    LEU  115   9.46 +/- 0.24   0.024% *  0.1394% (0.76   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    LEU  115  19.85 +/- 0.42   0.000% *  0.0507% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    LEU  115  25.93 +/- 0.65   0.000% *  0.0281% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 7.61, residual support = 95.3:
        T HN    LEU  115 - HN    GLN  116   2.78 +/- 0.07  99.993% * 99.6378% (0.98   7.61  95.33) = 100.000%  kept
          HN    PHE   97 - HN    GLN  116  13.76 +/- 0.23   0.007% *  0.2619% (0.98   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLN  116  32.91 +/- 1.85   0.000% *  0.1003% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 4.84, residual support = 19.6:
        T HN    SER  117 - HN    GLN  116   2.79 +/- 0.06  99.999% * 99.5746% (0.97   4.84  19.62) = 100.000%  kept
          HN    GLY   16 - HN    GLN  116  21.96 +/- 0.59   0.000% *  0.3411% (0.80   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN  116  28.79 +/- 0.42   0.000% *  0.0843% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 569 (8.18, 8.66, 115.11 ppm):
    6 chemical-shift based assignments, quality = 0.967, support = 3.88, residual support = 12.1:
        T HN    THR  118 - HN    SER  117   2.50 +/- 0.17  64.698% * 37.2004% (0.95   3.03   5.52) =  53.087%  kept
        T HN    GLN  116 - HN    SER  117   2.79 +/- 0.06  34.125% * 62.3210% (0.99   4.84  19.62) =  46.909%  kept
          HN    GLU- 114 - HN    SER  117   4.90 +/- 0.19   1.169% *  0.1679% (0.65   0.02   0.80) =   0.004%
        T HN    PHE   60 - HN    SER  117  11.23 +/- 0.24   0.008% *  0.1984% (0.76   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    SER  117  19.87 +/- 0.42   0.000% *  0.0722% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    SER  117  26.34 +/- 0.58   0.000% *  0.0401% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 2.54, residual support = 115.5:
      O   HE22  GLN  116 - HE21  GLN  116   1.73 +/- 0.00  99.995% * 98.5515% (0.95   2.54 115.52) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN  116   9.36 +/- 0.60   0.004% *  0.7901% (0.96   0.02   0.02) =   0.000%
          QD    PHE   45 - HE21  GLN  116  16.95 +/- 0.58   0.000% *  0.4308% (0.53   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN  116  22.30 +/- 1.45   0.000% *  0.2276% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 571 (7.42, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 2.54, residual support = 115.5:
      O T HE21  GLN  116 - HE22  GLN  116   1.73 +/- 0.00  99.935% * 98.0508% (0.90   2.54 115.52) =  99.999%  kept
          HN    ALA  120 - HE22  GLN  116   6.30 +/- 0.76   0.062% *  0.8422% (0.98   0.02   0.02) =   0.001%
          HN    ALA   57 - HE22  GLN  116  12.35 +/- 1.01   0.001% *  0.7177% (0.84   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN  116  10.55 +/- 1.00   0.002% *  0.1505% (0.18   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN  116  29.97 +/- 1.60   0.000% *  0.2389% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 572 (4.37, 8.17, 116.99 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 0.749, residual support = 1.5:
          HA    ASP- 113 - HN    GLN  116   3.79 +/- 0.15  95.804% * 91.8913% (1.00   0.75   1.50) =  99.929%  kept
          HA    PHE   59 - HN    GLN  116   7.12 +/- 0.52   2.591% *  1.4896% (0.61   0.02   0.02) =   0.044%
          HA    ILE   56 - HN    GLN  116   7.62 +/- 0.36   1.551% *  1.4896% (0.61   0.02   0.02) =   0.026%
          HA    LEU  123 - HN    GLN  116  13.53 +/- 0.24   0.048% *  1.1954% (0.49   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLN  116  20.58 +/- 0.29   0.004% *  1.9665% (0.80   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN  116  26.10 +/- 0.65   0.001% *  1.5887% (0.65   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN  116  26.40 +/- 0.39   0.001% *  0.3789% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 7.0, residual support = 115.5:
      O   HA    GLN  116 - HN    GLN  116   2.72 +/- 0.03  99.997% * 98.6406% (1.00   7.00 115.52) = 100.000%  kept
          HA    VAL   18 - HN    GLN  116  18.38 +/- 0.47   0.001% *  0.1937% (0.69   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN  116  19.80 +/- 0.49   0.001% *  0.2820% (1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN  116  20.67 +/- 0.98   0.001% *  0.0703% (0.25   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    GLN  116  20.41 +/- 0.61   0.001% *  0.0558% (0.20   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN  116  28.52 +/- 0.49   0.000% *  0.2446% (0.87   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN  116  26.89 +/- 0.75   0.000% *  0.1373% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN  116  30.17 +/- 0.60   0.000% *  0.2048% (0.73   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN  116  29.77 +/- 0.68   0.000% *  0.1710% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.968, support = 7.6, residual support = 212.5:
      O   HA    LEU  115 - HN    LEU  115   2.77 +/- 0.02  82.183% * 69.6192% (1.00   7.83 230.30) =  91.566%  kept
      O   HA    GLU- 114 - HN    LEU  115   3.58 +/- 0.03  17.807% * 29.5956% (0.65   5.13  19.72) =   8.434%  kept
          HA    ARG+  54 - HN    LEU  115  13.30 +/- 0.38   0.007% *  0.1153% (0.65   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU  115  16.01 +/- 0.62   0.002% *  0.0938% (0.53   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU  115  22.53 +/- 0.37   0.000% *  0.1428% (0.80   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU  115  23.88 +/- 0.42   0.000% *  0.1687% (0.95   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU  115  25.79 +/- 0.63   0.000% *  0.1783% (1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU  115  25.55 +/- 0.29   0.000% *  0.0312% (0.18   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU  115  28.54 +/- 0.35   0.000% *  0.0550% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 3.11, residual support = 15.0:
      O   HA    SER  117 - HN    SER  117   2.81 +/- 0.04  99.992% * 96.4381% (0.38   3.11  14.98) = 100.000%  kept
          HA    ASP-  62 - HN    SER  117  13.62 +/- 0.51   0.008% *  1.5610% (0.95   0.02   0.02) =   0.000%
          HB    THR   26 - HN    SER  117  29.88 +/- 0.35   0.000% *  1.2611% (0.76   0.02   0.02) =   0.000%
          HA    SER   82 - HN    SER  117  31.15 +/- 0.52   0.000% *  0.7398% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 5.92, residual support = 48.9:
        T HN    ILE  119 - HN    ALA  120   2.74 +/- 0.07  99.999% * 99.0993% (0.83   5.92  48.87) = 100.000%  kept
          HN    SER   37 - HN    ALA  120  24.42 +/- 0.55   0.000% *  0.3605% (0.89   0.02   0.02) =   0.000%
        T HN    CYS   21 - HN    ALA  120  22.71 +/- 0.40   0.000% *  0.1675% (0.41   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    ALA  120  28.08 +/- 0.22   0.000% *  0.3727% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 577 (7.23, 7.51, 116.39 ppm):
    4 chemical-shift based assignments, quality = 0.802, support = 6.71, residual support = 49.3:
          HN    HIS  122 - HN    LYS+ 121   2.92 +/- 0.22  98.273% * 99.4526% (0.80   6.71  49.33) =  99.999%  kept
          QE    PHE   59 - HN    LYS+ 121   5.87 +/- 0.26   1.706% *  0.0739% (0.20   0.02   0.02) =   0.001%
          HN    PHE   59 - HN    LYS+ 121  12.15 +/- 0.20   0.020% *  0.1797% (0.49   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LYS+ 121  27.42 +/- 0.81   0.000% *  0.2937% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.01 A, kept.
 
    Peak 578 (7.47, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.257, support = 5.85, residual support = 38.1:
          HN    LEU  123 - HN    HIS  122   2.39 +/- 0.26  98.685% * 99.5786% (0.26   5.85  38.09) =  99.998%  kept
          HN    ALA  124 - HN    HIS  122   4.92 +/- 0.42   1.314% *  0.1169% (0.09   0.02   0.02) =   0.002%
          HE21  GLN   17 - HN    HIS  122  20.53 +/- 0.88   0.000% *  0.1599% (0.12   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HN    HIS  122  27.71 +/- 0.61   0.000% *  0.1446% (0.11   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 5.85, residual support = 38.1:
          HN    HIS  122 - HN    LEU  123   2.39 +/- 0.26  99.850% * 99.1315% (0.87   5.85  38.09) = 100.000%  kept
          QE    PHE   59 - HN    LEU  123   7.52 +/- 0.66   0.147% *  0.2055% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LEU  123  13.75 +/- 0.32   0.003% *  0.3503% (0.90   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LEU  123  29.40 +/- 0.79   0.000% *  0.3127% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 4.62, residual support = 15.2:
      O   HA    LEU  123 - HN    ALA  124   3.61 +/- 0.02  99.932% * 97.9285% (1.00   4.62  15.21) = 100.000%  kept
          HA    ASP- 113 - HN    ALA  124  14.57 +/- 0.34   0.024% *  0.2404% (0.57   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA  124  16.82 +/- 0.62   0.010% *  0.3807% (0.90   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ALA  124  17.38 +/- 0.22   0.008% *  0.4208% (0.99   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA  124  15.82 +/- 0.76   0.015% *  0.2066% (0.49   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ALA  124  17.38 +/- 0.47   0.008% *  0.1448% (0.34   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA  124  23.20 +/- 0.81   0.001% *  0.4161% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA  124  22.83 +/- 0.60   0.002% *  0.1310% (0.31   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA  124  28.28 +/- 1.39   0.000% *  0.1310% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 1.91, residual support = 9.82:
      O   HA    ALA  124 - HN    ALA  124   2.67 +/- 0.27  99.985% * 96.1040% (1.00   1.91   9.82) = 100.000%  kept
          HA    LEU  115 - HN    ALA  124  12.06 +/- 0.15   0.013% *  0.4512% (0.45   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA  124  22.91 +/- 0.35   0.000% *  0.9711% (0.97   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA  124  21.54 +/- 0.63   0.000% *  0.3106% (0.31   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA  124  26.49 +/- 0.74   0.000% *  0.6912% (0.69   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA  124  21.34 +/- 0.54   0.000% *  0.1762% (0.18   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA  124  28.44 +/- 0.76   0.000% *  0.4898% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA  124  34.49 +/- 0.40   0.000% *  0.8058% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 4.79, residual support = 38.1:
      O   HA    HIS  122 - HN    LEU  123   3.40 +/- 0.11  99.982% * 99.4607% (1.00   4.79  38.09) = 100.000%  kept
          HA    VAL   41 - HN    LEU  123  14.93 +/- 0.58   0.015% *  0.3323% (0.80   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    LEU  123  20.65 +/- 0.33   0.002% *  0.1035% (0.25   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LEU  123  23.22 +/- 0.36   0.001% *  0.1035% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 6.28, residual support = 197.2:
      O   HA    LEU  123 - HN    LEU  123   2.90 +/- 0.02  99.965% * 98.4666% (1.00   6.28 197.19) = 100.000%  kept
          HA    LYS+  99 - HN    LEU  123  14.64 +/- 0.68   0.006% *  0.2818% (0.90   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    LEU  123  13.44 +/- 0.85   0.011% *  0.1530% (0.49   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU  123  15.53 +/- 0.24   0.004% *  0.3115% (0.99   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LEU  123  14.17 +/- 0.26   0.007% *  0.1779% (0.57   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU  123  15.44 +/- 0.38   0.004% *  0.1072% (0.34   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    LEU  123  20.90 +/- 0.84   0.001% *  0.3080% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU  123  20.36 +/- 0.53   0.001% *  0.0970% (0.31   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU  123  26.07 +/- 1.27   0.000% *  0.0970% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 6.33, residual support = 71.8:
          HD2   HIS  122 - HN    HIS  122   2.57 +/- 0.43  99.947% * 97.0674% (0.11   6.33  71.82) = 100.000%  kept
          HE22  GLN  116 - HN    HIS  122  10.21 +/- 0.89   0.052% *  0.3388% (0.12   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    HIS  122  21.94 +/- 0.74   0.000% *  0.9734% (0.35   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    HIS  122  27.67 +/- 1.21   0.000% *  0.8615% (0.31   0.02   0.02) =   0.000%
          HE22  GLN   90 - HN    HIS  122  30.66 +/- 1.17   0.000% *  0.7590% (0.27   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 585 (4.88, 7.24, 114.00 ppm):
    3 chemical-shift based assignments, quality = 0.295, support = 5.03, residual support = 71.8:
      O   HA    HIS  122 - HN    HIS  122   2.86 +/- 0.07  99.988% * 99.2610% (0.30   5.03  71.82) = 100.000%  kept
          HA    VAL   41 - HN    HIS  122  13.20 +/- 0.72   0.011% *  0.4714% (0.35   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    HIS  122  18.41 +/- 0.45   0.001% *  0.2675% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 0.534, support = 5.95, residual support = 262.8:
      O   HA    LYS+ 121 - HN    LYS+ 121   2.72 +/- 0.03  81.422% * 50.5481% (0.49   6.38 314.74) =  83.368%  kept
      O   HA    ALA  120 - HN    LYS+ 121   3.53 +/- 0.01  17.120% * 47.9569% (0.77   3.80   2.28) =  16.630%  kept
          QB    SER  117 - HN    LYS+ 121   5.35 +/- 0.17   1.452% *  0.0727% (0.22   0.02   0.02) =   0.002%
          HA    LYS+  65 - HN    LYS+ 121  15.26 +/- 0.36   0.003% *  0.2345% (0.72   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+ 121  16.03 +/- 0.20   0.002% *  0.1796% (0.55   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LYS+ 121  19.32 +/- 0.65   0.001% *  0.2473% (0.76   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+ 121  24.20 +/- 0.59   0.000% *  0.2093% (0.64   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+ 121  24.02 +/- 0.40   0.000% *  0.1375% (0.42   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+ 121  22.73 +/- 0.77   0.000% *  0.0807% (0.25   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+ 121  28.76 +/- 0.28   0.000% *  0.2473% (0.76   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+ 121  25.02 +/- 0.61   0.000% *  0.0458% (0.14   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+ 121  30.00 +/- 0.37   0.000% *  0.0403% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 3.59, residual support = 11.8:
      O   HA    ALA  120 - HN    ALA  120   2.80 +/- 0.03  94.912% * 95.8895% (0.74   3.59  11.84) =  99.990%  kept
          HA    LYS+ 121 - HN    ALA  120   5.07 +/- 0.09   2.711% *  0.2506% (0.35   0.02   2.28) =   0.007%
          QB    SER  117 - HN    ALA  120   5.19 +/- 0.11   2.368% *  0.0903% (0.12   0.02   5.15) =   0.002%
          HA    LYS+  65 - HN    ALA  120  14.75 +/- 0.47   0.005% *  0.6661% (0.92   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA  120  16.63 +/- 0.22   0.002% *  0.2993% (0.41   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ALA  120  19.17 +/- 0.59   0.001% *  0.6661% (0.92   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA  120  21.85 +/- 0.73   0.000% *  0.3512% (0.49   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA  120  23.88 +/- 0.71   0.000% *  0.3780% (0.52   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA  120  22.94 +/- 0.47   0.000% *  0.2060% (0.28   0.02   0.02) =   0.000%
          QB    SER   85 - HN    ALA  120  29.46 +/- 0.26   0.000% *  0.6661% (0.92   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA  120  26.74 +/- 0.65   0.000% *  0.2277% (0.31   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA  120  24.74 +/- 0.86   0.000% *  0.1030% (0.14   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA  120  30.63 +/- 0.34   0.000% *  0.2060% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.313, support = 3.3, residual support = 115.5:
      O   HG2   GLN  116 - HE22  GLN  116   3.52 +/- 0.10  70.835% * 38.3453% (0.25   3.37 115.52) =  60.831%  kept
      O   HG3   GLN  116 - HE22  GLN  116   4.08 +/- 0.05  29.140% * 60.0189% (0.41   3.20 115.52) =  39.169%  kept
          HB3   PHE   95 - HE22  GLN  116  13.34 +/- 0.62   0.025% *  0.2816% (0.31   0.02   0.02) =   0.000%
          HB3   TRP   87 - HE22  GLN  116  28.71 +/- 0.62   0.000% *  0.4440% (0.49   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HE22  GLN  116  36.07 +/- 1.01   0.000% *  0.9102% (1.00   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 = 4.58, residual support = 15.2:
          HB2   LEU  123 - HN    ALA  124   2.06 +/- 0.10  99.899% * 96.5140% (0.76   4.58  15.21) = 100.000%  kept
          HB2   LYS+ 121 - HN    ALA  124   6.56 +/- 0.15   0.100% *  0.4000% (0.73   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA  124  16.12 +/- 0.67   0.000% *  0.4210% (0.76   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA  124  18.13 +/- 1.33   0.000% *  0.5211% (0.95   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA  124  20.05 +/- 1.15   0.000% *  0.5211% (0.95   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA  124  18.14 +/- 0.83   0.000% *  0.2682% (0.49   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA  124  23.28 +/- 0.35   0.000% *  0.4411% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ALA  124  21.80 +/- 0.60   0.000% *  0.1374% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ALA  124  21.61 +/- 0.71   0.000% *  0.1090% (0.20   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA  124  24.13 +/- 0.83   0.000% *  0.2068% (0.38   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA  124  30.08 +/- 0.63   0.000% *  0.4602% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 593 (1.36, 7.45, 128.80 ppm):
    16 chemical-shift based assignments, quality = 0.647, support = 2.03, residual support = 9.82:
      O   QB    ALA  124 - HN    ALA  124   2.39 +/- 0.32  99.986% * 88.4360% (0.65   2.03   9.82) = 100.000%  kept
          HB2   LEU   63 - HN    ALA  124  12.81 +/- 0.48   0.005% *  0.5045% (0.38   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA  124  14.93 +/- 0.60   0.002% *  0.7610% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA  124  16.13 +/- 0.41   0.001% *  1.1659% (0.87   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA  124  17.93 +/- 0.59   0.001% *  1.0272% (0.76   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA  124  18.00 +/- 0.34   0.001% *  1.0272% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA  124  17.35 +/- 0.56   0.001% *  0.7610% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA  124  17.65 +/- 0.29   0.001% *  0.6543% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA  124  19.81 +/- 1.36   0.000% *  0.9233% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA  124  20.71 +/- 0.26   0.000% *  1.2055% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA  124  22.95 +/- 0.35   0.000% *  0.8695% (0.65   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA  124  27.01 +/- 0.26   0.000% *  1.1659% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA  124  25.53 +/- 1.53   0.000% *  0.6543% (0.49   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA  124  24.82 +/- 1.78   0.000% *  0.2354% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA  124  26.78 +/- 0.76   0.000% *  0.2354% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA  124  30.10 +/- 0.48   0.000% *  0.3737% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.981, support = 5.57, residual support = 29.2:
          HA    ALA  120 - HN    LEU  123   2.85 +/- 0.25  83.967% * 72.8199% (0.99   5.78  30.96) =  93.714%  kept
          HA    LYS+ 121 - HN    LEU  123   3.89 +/- 0.22  15.906% * 25.7860% (0.84   2.43   2.34) =   6.286%  kept
          QB    SER  117 - HN    LEU  123   8.63 +/- 0.17   0.117% *  0.1238% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    LEU  123  13.77 +/- 0.41   0.007% *  0.1747% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LEU  123  17.59 +/- 0.66   0.002% *  0.1943% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LEU  123  18.72 +/- 0.34   0.001% *  0.2281% (0.90   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU  123  25.78 +/- 0.74   0.000% *  0.2454% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU  123  26.31 +/- 0.39   0.000% *  0.1943% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LEU  123  30.52 +/- 0.43   0.000% *  0.1943% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU  123  25.40 +/- 0.78   0.000% *  0.0392% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 595 (2.76, 7.46, 121.46 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 5.28, residual support = 38.1:
          HB3   HIS  122 - HN    LEU  123   3.77 +/- 0.49  95.009% * 99.3685% (0.99   5.28  38.09) =  99.985%  kept
          QE    LYS+ 121 - HN    LEU  123   6.61 +/- 0.84   4.988% *  0.2900% (0.76   0.02   2.34) =   0.015%
          HG2   GLN   30 - HN    LEU  123  24.40 +/- 0.56   0.002% *  0.1055% (0.28   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    LEU  123  29.14 +/- 0.70   0.001% *  0.1847% (0.49   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LEU  123  28.27 +/- 0.82   0.001% *  0.0514% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.74 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 = 5.92, residual support = 197.2:
          HG    LEU  123 - HN    LEU  123   3.39 +/- 0.13  98.142% * 96.8572% (0.76   5.92 197.19) =  99.997%  kept
          QB    LYS+  66 - HN    LEU  123   6.95 +/- 0.44   1.402% *  0.0847% (0.20   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    LEU  123   8.86 +/- 0.49   0.338% *  0.3272% (0.76   0.02   0.02) =   0.001%
          HG3   PRO   68 - HN    LEU  123  12.97 +/- 1.31   0.052% *  0.3714% (0.87   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU  123  13.02 +/- 0.39   0.032% *  0.1919% (0.45   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU  123  16.27 +/- 0.57   0.008% *  0.3576% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU  123  16.37 +/- 0.92   0.008% *  0.2084% (0.49   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU  123  16.54 +/- 0.76   0.008% *  0.1460% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU  123  20.28 +/- 0.93   0.002% *  0.2769% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  123  21.85 +/- 0.72   0.001% *  0.3272% (0.76   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU  123  23.10 +/- 0.54   0.001% *  0.3428% (0.80   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU  123  17.44 +/- 0.22   0.005% *  0.0579% (0.14   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU  123  29.90 +/- 0.43   0.000% *  0.2424% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU  123  30.50 +/- 0.45   0.000% *  0.2084% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.01 A, kept.
 
    Peak 597 (1.67, 7.46, 121.46 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 6.32, residual support = 197.2:
      O   HB2   LEU  123 - HN    LEU  123   2.41 +/- 0.10  98.571% * 97.4487% (0.76   6.33 197.19) =  99.996%  kept
          HB2   LYS+ 121 - HN    LEU  123   4.96 +/- 0.29   1.423% *  0.2928% (0.73   0.02   2.34) =   0.004%
          QD    LYS+  65 - HN    LEU  123  14.39 +/- 0.54   0.002% *  0.3081% (0.76   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU  123  16.80 +/- 1.29   0.001% *  0.3814% (0.95   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU  123  18.44 +/- 1.26   0.001% *  0.3814% (0.95   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU  123  17.32 +/- 0.78   0.001% *  0.1963% (0.49   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU  123  21.33 +/- 0.36   0.000% *  0.3229% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    LEU  123  19.03 +/- 0.64   0.000% *  0.1005% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LEU  123  18.98 +/- 0.68   0.000% *  0.0798% (0.20   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU  123  22.11 +/- 0.79   0.000% *  0.1513% (0.38   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LEU  123  27.53 +/- 0.70   0.000% *  0.3368% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 598 (0.85, 7.46, 121.46 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.8, residual support = 197.2:
          QD1   LEU  123 - HN    LEU  123   2.23 +/- 0.37  97.172% * 98.8821% (0.90   6.80 197.19) =  99.998%  kept
          QD2   LEU  123 - HN    LEU  123   4.21 +/- 0.14   2.720% *  0.0500% (0.15   0.02 197.19) =   0.001%
          HB3   LEU  104 - HN    LEU  123   9.37 +/- 0.57   0.032% *  0.3212% (0.99   0.02   0.02) =   0.000%
          QG1   VAL   70 - HN    LEU  123   8.68 +/- 0.36   0.043% *  0.2226% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    LEU  123   9.10 +/- 0.58   0.030% *  0.0500% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    LEU  123  14.89 +/- 0.63   0.002% *  0.1835% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU  123  16.23 +/- 0.63   0.001% *  0.2906% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 5.29, residual support = 38.1:
          HB2   HIS  122 - HN    LEU  123   4.21 +/- 0.20  99.929% * 99.3258% (1.00   5.29  38.09) = 100.000%  kept
          HA    LYS+ 112 - HN    LEU  123  14.43 +/- 0.19   0.063% *  0.3371% (0.90   0.02   0.02) =   0.000%
          HB    THR   46 - HN    LEU  123  20.48 +/- 0.99   0.008% *  0.3371% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.82 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 = 0.262, support = 6.09, residual support = 27.6:
      O   HA    LYS+ 121 - HN    HIS  122   3.56 +/- 0.06  61.504% * 41.1514% (0.20   6.59  49.33) =  53.700%  kept
          HA    ALA  120 - HN    HIS  122   3.96 +/- 0.60  37.893% * 57.5879% (0.33   5.52   2.34) =  46.299%  kept
          QB    SER  117 - HN    HIS  122   7.81 +/- 0.18   0.565% *  0.0550% (0.09   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    HIS  122  13.32 +/- 0.43   0.023% *  0.2037% (0.33   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    HIS  122  17.07 +/- 0.70   0.005% *  0.2129% (0.34   0.02   0.02) =   0.000%
          HB    THR   94 - HN    HIS  122  16.42 +/- 0.48   0.007% *  0.1427% (0.23   0.02   0.02) =   0.000%
          QB    SER   48 - HN    HIS  122  24.02 +/- 0.64   0.001% *  0.1686% (0.27   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    HIS  122  24.64 +/- 0.35   0.001% *  0.1074% (0.17   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    HIS  122  23.61 +/- 0.84   0.001% *  0.0753% (0.12   0.02   0.02) =   0.000%
          QB    SER   85 - HN    HIS  122  28.44 +/- 0.57   0.000% *  0.2129% (0.34   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    HIS  122  22.98 +/- 0.79   0.001% *  0.0437% (0.07   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    HIS  122  30.11 +/- 0.50   0.000% *  0.0386% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.256, support = 2.99, residual support = 6.37:
          HA    ILE  119 - HN    HIS  122   3.96 +/- 0.25  78.030% * 45.5849% (0.27   2.67   7.18) =  75.240%  kept
          HA    THR  118 - HN    HIS  122   4.96 +/- 0.22  21.923% * 53.3941% (0.21   3.94   3.92) =  24.760%  kept
          HD3   PRO   58 - HN    HIS  122  14.53 +/- 0.28   0.032% *  0.1242% (0.10   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    HIS  122  17.50 +/- 0.38   0.011% *  0.1378% (0.11   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    HIS  122  20.87 +/- 0.55   0.004% *  0.2350% (0.19   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    HIS  122  26.60 +/- 0.51   0.001% *  0.2174% (0.17   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    HIS  122  28.75 +/- 0.45   0.001% *  0.3068% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 5.76, residual support = 71.8:
      O   HB2   HIS  122 - HN    HIS  122   3.59 +/- 0.07  98.540% * 98.5936% (0.11   5.76  71.82) =  99.997%  kept
          HA    LEU   63 - HN    HIS  122   7.38 +/- 0.39   1.417% *  0.1943% (0.06   0.02   0.02) =   0.003%
          HA    LYS+ 112 - HN    HIS  122  13.09 +/- 0.20   0.043% *  0.6282% (0.20   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    HIS  122  27.35 +/- 0.44   0.001% *  0.5838% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 604 (2.76, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.326, support = 5.92, residual support = 71.8:
      O   HB3   HIS  122 - HN    HIS  122   2.56 +/- 0.16  99.055% * 99.4803% (0.33   5.92  71.82) =  99.998%  kept
          QE    LYS+ 121 - HN    HIS  122   5.78 +/- 0.57   0.945% *  0.2207% (0.21   0.02  49.33) =   0.002%
          HB3   ASP-  78 - HN    HIS  122  27.02 +/- 0.69   0.000% *  0.2353% (0.23   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    HIS  122  22.68 +/- 0.59   0.000% *  0.0637% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 605 (1.66, 7.24, 114.00 ppm):
    12 chemical-shift based assignments, quality = 0.322, support = 7.1, residual support = 48.5:
          HB2   LYS+ 121 - HN    HIS  122   3.27 +/- 0.37  82.701% * 71.7626% (0.33   7.24  49.33) =  92.700%  kept
          HB2   LEU  123 - HN    HIS  122   4.46 +/- 0.30  17.238% * 27.1127% (0.17   5.31  38.09) =   7.300%  kept
          QD    LYS+  65 - HN    HIS  122  14.12 +/- 0.52   0.015% *  0.2023% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    HIS  122  15.47 +/- 1.35   0.009% *  0.1522% (0.26   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    HIS  122  17.64 +/- 1.19   0.004% *  0.2078% (0.35   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    HIS  122  14.64 +/- 0.22   0.011% *  0.0367% (0.06   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    HIS  122  17.04 +/- 0.65   0.005% *  0.0862% (0.15   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    HIS  122  15.85 +/- 0.75   0.007% *  0.0523% (0.09   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    HIS  122  19.33 +/- 0.34   0.002% *  0.1103% (0.19   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    HIS  122  16.51 +/- 0.59   0.006% *  0.0324% (0.05   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    HIS  122  25.22 +/- 0.86   0.000% *  0.2078% (0.35   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    HIS  122  19.88 +/- 0.75   0.002% *  0.0367% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 0.34, support = 6.57, residual support = 49.3:
          HB3   LYS+ 121 - HN    HIS  122   3.11 +/- 0.57  92.341% * 68.7712% (0.35   6.56  49.33) =  96.714%  kept
          HD2   LYS+ 121 - HN    HIS  122   5.56 +/- 0.77   7.126% * 30.2661% (0.15   6.88  49.33) =   3.285%  kept
          QD    LYS+  66 - HN    HIS  122   8.56 +/- 0.92   0.411% *  0.1714% (0.28   0.02   0.02) =   0.001%
          HG    LEU  104 - HN    HIS  122  10.18 +/- 0.72   0.087% *  0.2098% (0.35   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    HIS  122  13.93 +/- 0.29   0.016% *  0.1976% (0.33   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    HIS  122  14.45 +/- 0.37   0.014% *  0.0730% (0.12   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    HIS  122  17.79 +/- 0.64   0.004% *  0.1919% (0.32   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    HIS  122  21.20 +/- 1.52   0.001% *  0.0595% (0.10   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    HIS  122  20.84 +/- 0.39   0.001% *  0.0595% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 607 (0.86, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.307, support = 6.21, residual support = 38.1:
          QD1   LEU  123 - HN    HIS  122   2.91 +/- 0.46  98.479% * 98.4640% (0.31   6.21  38.09) =  99.996%  kept
          HB3   LEU  104 - HN    HIS  122   7.79 +/- 0.69   0.691% *  0.1922% (0.19   0.02   0.02) =   0.001%
          QG1   VAL   70 - HN    HIS  122   7.97 +/- 0.42   0.345% *  0.3621% (0.35   0.02   0.02) =   0.001%
          HB3   LEU   63 - HN    HIS  122   7.55 +/- 0.55   0.448% *  0.2363% (0.23   0.02   0.02) =   0.001%
          QG1   VAL   18 - HN    HIS  122  13.44 +/- 0.65   0.017% *  0.3645% (0.35   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    HIS  122  15.06 +/- 0.81   0.008% *  0.3169% (0.31   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    HIS  122  14.31 +/- 0.45   0.013% *  0.0640% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 608 (3.70, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.513, support = 2.46, residual support = 7.9:
          HA    THR  118 - HN    LYS+ 121   3.13 +/- 0.09  81.460% * 44.6834% (0.49   2.48   9.88) =  78.456%  kept
          HA    ILE  119 - HN    LYS+ 121   4.02 +/- 0.05  18.524% * 53.9576% (0.61   2.38   0.71) =  21.544%  kept
          HD3   PRO   58 - HN    LYS+ 121  14.12 +/- 0.18   0.010% *  0.1653% (0.22   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    LYS+ 121  16.16 +/- 0.20   0.004% *  0.1835% (0.25   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    LYS+ 121  21.78 +/- 0.26   0.001% *  0.3127% (0.42   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    LYS+ 121  28.35 +/- 0.41   0.000% *  0.4083% (0.55   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    LYS+ 121  26.77 +/- 0.22   0.000% *  0.2893% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 6.63, residual support = 314.7:
      O   HB2   LYS+ 121 - HN    LYS+ 121   2.27 +/- 0.45  98.120% * 98.1680% (0.76   6.63 314.74) =  99.997%  kept
          HB2   LEU  123 - HN    LYS+ 121   4.84 +/- 0.26   1.866% *  0.1524% (0.39   0.02   2.34) =   0.003%
          QD    LYS+  65 - HN    LYS+ 121  15.52 +/- 0.46   0.002% *  0.3022% (0.77   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+ 121  13.65 +/- 0.79   0.004% *  0.0781% (0.20   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+ 121  16.27 +/- 1.28   0.001% *  0.2274% (0.58   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LYS+ 121  19.64 +/- 1.05   0.000% *  0.3103% (0.79   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    LYS+ 121  14.30 +/- 0.65   0.003% *  0.0483% (0.12   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    LYS+ 121  14.69 +/- 0.14   0.002% *  0.0548% (0.14   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+ 121  18.57 +/- 0.28   0.001% *  0.1647% (0.42   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LYS+ 121  17.88 +/- 0.57   0.001% *  0.1287% (0.33   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+ 121  19.21 +/- 0.85   0.000% *  0.0548% (0.14   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LYS+ 121  25.84 +/- 0.64   0.000% *  0.3103% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.01 A, kept.
 
    Peak 610 (1.50, 7.51, 116.39 ppm):
    8 chemical-shift based assignments, quality = 0.432, support = 4.38, residual support = 158.5:
          QB    ALA  120 - HN    LYS+ 121   2.93 +/- 0.04  83.858% * 15.7695% (0.22   3.10   2.28) =  50.008%  kept
          HD2   LYS+ 121 - HN    LYS+ 121   4.32 +/- 0.90  15.970% * 82.7806% (0.64   5.65 314.74) =  49.992%  kept
          HG    LEU  115 - HN    LYS+ 121   9.17 +/- 0.43   0.093% *  0.1017% (0.22   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+ 121   9.99 +/- 0.84   0.061% *  0.1504% (0.33   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LYS+ 121  12.61 +/- 0.56   0.014% *  0.1780% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 121  15.96 +/- 0.35   0.003% *  0.3173% (0.70   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+ 121  18.95 +/- 0.42   0.001% *  0.3649% (0.80   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 121  22.27 +/- 0.25   0.000% *  0.3376% (0.74   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.01 A, kept.
 
    Peak 611 (1.15, 7.51, 116.39 ppm):
    6 chemical-shift based assignments, quality = 0.774, support = 5.9, residual support = 314.7:
          HG2   LYS+ 121 - HN    LYS+ 121   3.85 +/- 0.16  91.134% * 99.0746% (0.77   5.90 314.74) =  99.990%  kept
          HG13  ILE  119 - HN    LYS+ 121   5.87 +/- 0.37   7.838% *  0.0689% (0.16   0.02   0.71) =   0.006%
          QG2   VAL  107 - HN    LYS+ 121   8.26 +/- 0.27   0.983% *  0.3451% (0.79   0.02   0.02) =   0.004%
          HG13  ILE  103 - HN    LYS+ 121  14.27 +/- 0.42   0.037% *  0.2252% (0.52   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    LYS+ 121  19.85 +/- 0.41   0.005% *  0.2252% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LYS+ 121  22.61 +/- 0.76   0.002% *  0.0610% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.01 A, kept.
 
    Peak 612 (0.85, 7.51, 116.39 ppm):
    7 chemical-shift based assignments, quality = 0.719, support = 2.21, residual support = 2.34:
          QD1   LEU  123 - HN    LYS+ 121   4.35 +/- 0.07  88.370% * 96.6318% (0.72   2.21   2.34) =  99.966%  kept
          QD2   LEU  123 - HN    LYS+ 121   6.41 +/- 0.17   8.763% *  0.1507% (0.12   0.02   2.34) =   0.015%
          HB3   LEU  104 - HN    LYS+ 121   9.15 +/- 0.40   1.064% *  0.9678% (0.79   0.02   0.02) =   0.012%
          QG1   VAL   70 - HN    LYS+ 121  10.26 +/- 0.36   0.527% *  0.6707% (0.55   0.02   0.02) =   0.004%
          HB3   LEU   63 - HN    LYS+ 121   9.19 +/- 0.69   1.187% *  0.1507% (0.12   0.02   0.02) =   0.002%
          QG1   VAL   18 - HN    LYS+ 121  14.65 +/- 0.57   0.063% *  0.5528% (0.45   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LYS+ 121  17.00 +/- 0.66   0.025% *  0.8757% (0.72   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.19 A, kept.
 
    Peak 613 (2.04, 7.43, 118.69 ppm):
    11 chemical-shift based assignments, quality = 0.905, support = 5.1, residual support = 48.9:
          HB    ILE  119 - HN    ALA  120   2.56 +/- 0.17  99.978% * 97.5079% (0.90   5.10  48.87) = 100.000%  kept
          HB    VAL  108 - HN    ALA  120  13.71 +/- 0.73   0.005% *  0.3260% (0.77   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ALA  120  11.48 +/- 0.36   0.013% *  0.1205% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ALA  120  16.85 +/- 0.72   0.001% *  0.2367% (0.56   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA  120  17.07 +/- 0.34   0.001% *  0.1750% (0.41   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA  120  18.88 +/- 0.31   0.001% *  0.2983% (0.71   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ALA  120  21.60 +/- 0.42   0.000% *  0.3894% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ALA  120  23.19 +/- 0.49   0.000% *  0.3825% (0.90   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ALA  120  19.90 +/- 0.74   0.000% *  0.0973% (0.23   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ALA  120  24.97 +/- 0.76   0.000% *  0.3692% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ALA  120  20.02 +/- 0.68   0.000% *  0.0973% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 614 (1.49, 7.43, 118.69 ppm):
    9 chemical-shift based assignments, quality = 0.486, support = 3.48, residual support = 11.8:
      O   QB    ALA  120 - HN    ALA  120   2.08 +/- 0.04  99.738% * 95.4260% (0.49   3.48  11.84) =  99.999%  kept
          HD2   LYS+ 121 - HN    ALA  120   6.48 +/- 1.15   0.199% *  0.5488% (0.49   0.02   2.28) =   0.001%
          HG    LEU  115 - HN    ALA  120   7.85 +/- 0.45   0.040% *  0.5488% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA  120   9.15 +/- 0.93   0.016% *  0.2064% (0.18   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  120  11.39 +/- 1.81   0.005% *  0.1609% (0.14   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA  120  14.42 +/- 0.66   0.001% *  0.7971% (0.71   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA  120  15.09 +/- 0.56   0.001% *  0.6326% (0.56   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA  120  19.05 +/- 0.49   0.000% *  0.9628% (0.85   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA  120  22.89 +/- 0.32   0.000% *  0.7165% (0.63   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 5.76, residual support = 48.9:
          QG2   ILE  119 - HN    ALA  120   3.12 +/- 0.29  99.548% * 96.6903% (0.49   5.76  48.87) =  99.998%  kept
          QD1   LEU   67 - HN    ALA  120   8.79 +/- 1.70   0.344% *  0.5110% (0.74   0.02   0.02) =   0.002%
          QD2   LEU   40 - HN    ALA  120  10.95 +/- 0.41   0.062% *  0.4877% (0.71   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    ALA  120  12.29 +/- 0.31   0.029% *  0.5723% (0.83   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    ALA  120  14.94 +/- 0.51   0.009% *  0.4634% (0.67   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ALA  120  17.10 +/- 0.36   0.004% *  0.5330% (0.77   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ALA  120  19.87 +/- 0.82   0.002% *  0.6159% (0.89   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ALA  120  20.46 +/- 0.81   0.001% *  0.1263% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 2.73, residual support = 15.0:
      O   QB    SER  117 - HN    SER  117   2.20 +/- 0.09  99.914% * 82.9808% (0.25   2.73  14.98) =  99.998%  kept
          HA    ALA  120 - HN    SER  117   7.90 +/- 0.15   0.048% *  2.3074% (0.95   0.02   5.15) =   0.001%
          HA    LYS+ 121 - HN    SER  117   8.31 +/- 0.18   0.036% *  1.3810% (0.57   0.02   0.02) =   0.001%
          HB    THR   94 - HN    SER  117  14.18 +/- 0.29   0.001% *  1.5779% (0.65   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER  117  17.82 +/- 0.44   0.000% *  2.2517% (0.92   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER  117  18.49 +/- 0.62   0.000% *  0.8320% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER  117  22.25 +/- 0.57   0.000% *  2.3540% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER  117  20.13 +/- 0.59   0.000% *  1.1873% (0.49   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER  117  22.22 +/- 0.58   0.000% *  1.8641% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER  117  27.72 +/- 0.29   0.000% *  2.3540% (0.97   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER  117  28.35 +/- 0.64   0.000% *  0.4827% (0.20   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER  117  27.99 +/- 0.38   0.000% *  0.4272% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.38, support = 0.0199, residual support = 19.5:
          HG3   GLN  116 - HN    SER  117   5.16 +/- 0.10  41.322% * 19.6243% (0.49   0.02  19.62) =  63.315%  kept
          HG2   GLN  116 - HN    SER  117   4.88 +/- 0.04  57.907% *  7.9786% (0.20   0.02  19.62) =  36.074%  kept
          HB3   PHE   95 - HN    SER  117  10.07 +/- 0.30   0.767% * 10.0531% (0.25   0.02   0.02) =   0.602%
          HB3   TRP   87 - HN    SER  117  24.34 +/- 0.41   0.004% * 22.8255% (0.57   0.02   0.02) =   0.007%
          HG2   GLU-  25 - HN    SER  117  34.03 +/- 0.55   0.001% * 39.5185% (0.98   0.02   0.02) =   0.002%
    Distance limit 4.15 A violated in 10 structures by 0.30 A, eliminated.
    Peak unassigned.
 
    Peak 618 (2.36, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 4.06, residual support = 19.6:
          HB2   GLN  116 - HN    SER  117   3.00 +/- 0.12  99.967% * 98.5239% (0.97   4.06  19.62) = 100.000%  kept
          HB3   PHE   97 - HN    SER  117  12.94 +/- 0.29   0.016% *  0.5035% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    SER  117  12.98 +/- 0.51   0.016% *  0.3656% (0.73   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    SER  117  22.60 +/- 0.57   0.001% *  0.4516% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    SER  117  24.80 +/- 0.57   0.000% *  0.1554% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 620 (2.53, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 7.03, residual support = 115.5:
          HG2   GLN  116 - HN    GLN  116   2.97 +/- 0.21  99.913% * 99.4052% (0.73   7.03 115.52) = 100.000%  kept
          HB3   PHE   95 - HN    GLN  116   9.72 +/- 0.27   0.087% *  0.3119% (0.80   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    GLN  116  33.33 +/- 0.57   0.000% *  0.2829% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 621 (2.37, 8.17, 116.99 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 7.0, residual support = 115.5:
      O   HB2   GLN  116 - HN    GLN  116   2.17 +/- 0.05  99.991% * 99.0784% (0.98   7.00 115.52) = 100.000%  kept
          HB2   PRO   58 - HN    GLN  116  10.58 +/- 0.55   0.008% *  0.1295% (0.45   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLN  116  13.86 +/- 0.23   0.001% *  0.2591% (0.90   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN  116  23.97 +/- 0.45   0.000% *  0.2890% (1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN  116  23.38 +/- 0.68   0.000% *  0.1636% (0.57   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    GLN  116  26.95 +/- 0.77   0.000% *  0.0803% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 0.797, support = 7.46, residual support = 92.0:
          HB2   LEU  115 - HN    GLN  116   3.33 +/- 0.28  89.677% * 66.8837% (0.80   7.58  95.33) =  96.491%  kept
          QB    GLU- 114 - HN    GLN  116   5.22 +/- 0.14   6.758% * 32.2490% (0.69   4.26   0.50) =   3.506%  kept
          HB2   LYS+ 111 - HN    GLN  116   5.90 +/- 0.45   3.347% *  0.0340% (0.15   0.02   0.02) =   0.002%
          HG3   PRO   58 - HN    GLN  116   9.56 +/- 0.68   0.194% *  0.1841% (0.84   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    GLN  116  15.42 +/- 0.66   0.010% *  0.0906% (0.41   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLN  116  19.63 +/- 0.51   0.002% *  0.1841% (0.84   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLN  116  16.51 +/- 0.81   0.007% *  0.0436% (0.20   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLN  116  21.58 +/- 0.44   0.001% *  0.1684% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLN  116  20.50 +/- 0.89   0.002% *  0.0436% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLN  116  22.18 +/- 0.73   0.001% *  0.0436% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN  116  32.40 +/- 0.49   0.000% *  0.0752% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.02 A, kept.
 
    Peak 623 (1.46, 8.17, 116.99 ppm):
    10 chemical-shift based assignments, quality = 0.788, support = 8.56, residual support = 95.3:
          HG    LEU  115 - HN    GLN  116   2.77 +/- 1.03  79.808% * 42.9015% (0.73   8.62  95.33) =  75.714%  kept
          HB3   LEU  115 - HN    GLN  116   4.00 +/- 0.38  19.469% * 56.4069% (0.98   8.39  95.33) =  24.285%  kept
          QB    ALA  120 - HN    GLN  116   7.01 +/- 0.24   0.682% *  0.0996% (0.73   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    GLN  116  11.34 +/- 0.76   0.026% *  0.0515% (0.38   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    GLN  116  15.25 +/- 1.67   0.005% *  0.1371% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    GLN  116  16.61 +/- 0.69   0.003% *  0.1344% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    GLN  116  18.18 +/- 0.60   0.002% *  0.0667% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN  116  16.22 +/- 0.63   0.003% *  0.0305% (0.22   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN  116  19.87 +/- 0.39   0.001% *  0.0776% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    GLN  116  23.28 +/- 1.53   0.001% *  0.0942% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 95.3:
          QD1   LEU  115 - HN    GLN  116   3.74 +/- 0.67  99.980% * 99.6304% (0.49   7.61  95.33) = 100.000%  kept
          QG1   VAL   75 - HN    GLN  116  16.29 +/- 0.72   0.020% *  0.3696% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 95.3:
          QD2   LEU  115 - HN    GLN  116   2.62 +/- 0.21  99.611% * 98.5892% (0.57  10.00  95.33) =  99.999%  kept
          QD1   LEU   63 - HN    GLN  116   7.44 +/- 0.44   0.228% *  0.3124% (0.90   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    GLN  116   8.00 +/- 0.63   0.152% *  0.2909% (0.84   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    GLN  116  14.21 +/- 0.37   0.004% *  0.1075% (0.31   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    GLN  116  17.98 +/- 0.52   0.001% *  0.3124% (0.90   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    GLN  116  16.65 +/- 0.40   0.002% *  0.0968% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    GLN  116  16.64 +/- 0.70   0.002% *  0.0537% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    GLN  116  21.18 +/- 0.43   0.000% *  0.1833% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    GLN  116  22.65 +/- 0.97   0.000% *  0.0537% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 626 (1.03, 8.17, 116.99 ppm):
    4 chemical-shift based assignments, quality = 0.725, support = 1.5, residual support = 14.6:
          QD1   ILE  119 - HN    GLN  116   4.63 +/- 0.36  81.868% * 95.8792% (0.73   1.50  14.59) =  99.827%  kept
          HG3   LYS+ 112 - HN    GLN  116   6.32 +/- 0.69  16.665% *  0.6608% (0.38   0.02   0.02) =   0.140%
          QG2   VAL  108 - HN    GLN  116   9.50 +/- 0.80   1.397% *  1.7607% (1.00   0.02   0.02) =   0.031%
          HB2   LEU  104 - HN    GLN  116  15.19 +/- 0.31   0.070% *  1.6992% (0.97   0.02   0.02) =   0.002%
    Distance limit 4.84 A violated in 0 structures by 0.04 A, kept.
 
    Peak 627 (3.45, 8.40, 122.87 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 0.75, residual support = 2.19:
          HA    LYS+ 112 - HN    LEU  115   3.42 +/- 0.23  99.941% * 94.6610% (0.90   0.75   2.19) =  99.998%  kept
          HB    THR   46 - HN    LEU  115  13.35 +/- 1.06   0.033% *  2.5243% (0.90   0.02   0.02) =   0.001%
          HB2   HIS  122 - HN    LEU  115  13.78 +/- 0.29   0.026% *  2.8147% (1.00   0.02   0.02) =   0.001%
    Distance limit 4.29 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 = 0.218, support = 0.0196, residual support = 93.3:
          HB2   GLN  116 - HN    LEU  115   4.60 +/- 0.07  99.193% *  8.0423% (0.22   0.02  95.33) =  97.854%  kept
          HB2   PRO   58 - HN    LEU  115  11.56 +/- 0.43   0.413% * 28.9252% (0.80   0.02   0.02) =   1.466%
          HG2   PRO   52 - HN    LEU  115  13.14 +/- 0.77   0.198% * 16.1952% (0.45   0.02   0.02) =   0.394%
          HB3   PHE   97 - HN    LEU  115  13.19 +/- 0.28   0.182% * 12.3219% (0.34   0.02   0.02) =   0.275%
          HB2   GLU-  79 - HN    LEU  115  22.62 +/- 0.54   0.007% *  5.5736% (0.15   0.02   0.02) =   0.005%
          HB2   GLU- 100 - HN    LEU  115  23.36 +/- 0.42   0.006% *  5.5736% (0.15   0.02   0.02) =   0.004%
          HG3   GLU-  25 - HN    LEU  115  32.86 +/- 0.50   0.001% * 23.3683% (0.65   0.02   0.02) =   0.002%
    Distance limit 4.29 A violated in 12 structures by 0.32 A, eliminated.
    Peak unassigned.
 
    Peak 629 (1.99, 8.40, 122.87 ppm):
    11 chemical-shift based assignments, quality = 0.796, support = 7.04, residual support = 222.3:
      O   HB2   LEU  115 - HN    LEU  115   2.06 +/- 0.11  89.139% * 61.8209% (0.80   7.12 230.30) =  96.203%  kept
          QB    GLU- 114 - HN    LEU  115   3.33 +/- 0.21   5.823% * 37.3263% (0.69   5.01  19.72) =   3.794%  kept
          HB2   LYS+ 111 - HN    LEU  115   3.51 +/- 0.45   5.030% *  0.0334% (0.15   0.02   0.02) =   0.003%
          HG3   PRO   58 - HN    LEU  115  10.21 +/- 0.60   0.007% *  0.1810% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    LEU  115  16.06 +/- 0.59   0.000% *  0.0891% (0.41   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU  115  16.39 +/- 0.68   0.000% *  0.0429% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LEU  115  20.85 +/- 0.47   0.000% *  0.1810% (0.84   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU  115  21.08 +/- 0.32   0.000% *  0.1656% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU  115  20.76 +/- 0.79   0.000% *  0.0429% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU  115  22.66 +/- 0.66   0.000% *  0.0429% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU  115  31.01 +/- 0.47   0.000% *  0.0739% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 0.892, support = 7.28, residual support = 230.3:
      O   HB3   LEU  115 - HN    LEU  115   3.20 +/- 0.27  58.426% * 56.5939% (0.98   7.24 230.30) =  65.216%  kept
          HG    LEU  115 - HN    LEU  115   3.56 +/- 0.53  41.396% * 42.6015% (0.73   7.36 230.30) =  34.783%  kept
          QB    ALA  120 - HN    LEU  115   8.60 +/- 0.16   0.151% *  0.1158% (0.73   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU  115  12.90 +/- 0.74   0.014% *  0.0599% (0.38   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU  115  16.05 +/- 1.61   0.004% *  0.1595% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU  115  16.40 +/- 0.57   0.003% *  0.1564% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU  115  18.11 +/- 0.46   0.002% *  0.0776% (0.49   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU  115  19.04 +/- 0.34   0.001% *  0.0903% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU  115  16.86 +/- 0.58   0.003% *  0.0355% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU  115  22.29 +/- 1.39   0.001% *  0.1096% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 0.526, support = 0.476, residual support = 1.66:
          QG2   VAL  107 - HN    LEU  115   3.24 +/- 0.24  96.347% * 78.2477% (0.53   0.48   1.66) =  99.894%  kept
          HG13  ILE  119 - HN    LEU  115   7.12 +/- 0.82   1.166% *  4.5342% (0.73   0.02  11.63) =   0.070%
          HD3   LYS+ 112 - HN    LEU  115   6.29 +/- 0.58   2.406% *  0.9634% (0.15   0.02   2.19) =   0.031%
          HG2   LYS+ 121 - HN    LEU  115  10.99 +/- 0.34   0.068% *  4.7719% (0.76   0.02   0.02) =   0.004%
          QB    ALA   20 - HN    LEU  115  18.32 +/- 0.44   0.003% *  6.2303% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LEU  115  15.45 +/- 0.47   0.009% *  0.9634% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LEU  115  23.95 +/- 0.88   0.001% *  4.2891% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 632 (0.61, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 8.42, residual support = 230.3:
          QD2   LEU  115 - HN    LEU  115   3.93 +/- 0.26  97.672% * 98.7352% (0.65   8.42 230.30) =  99.997%  kept
          QD1   LEU   63 - HN    LEU  115   7.55 +/- 0.41   2.218% *  0.1119% (0.31   0.02   0.02) =   0.003%
          QD1   LEU  104 - HN    LEU  115  14.08 +/- 0.36   0.049% *  0.3252% (0.90   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU  115  15.02 +/- 0.21   0.033% *  0.1237% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU  115  19.37 +/- 0.80   0.007% *  0.3430% (0.95   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU  115  17.11 +/- 0.51   0.015% *  0.1119% (0.31   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU  115  19.76 +/- 0.43   0.006% *  0.2491% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 7.13, residual support = 230.3:
          QD1   LEU  115 - HN    LEU  115   3.78 +/- 0.47  99.966% * 99.6697% (0.80   7.13 230.30) = 100.000%  kept
          QG1   VAL   75 - HN    LEU  115  14.75 +/- 0.70   0.034% *  0.3303% (0.95   0.02   0.02) =   0.000%
    Distance limit 4.50 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 = 0.562, support = 6.77, residual support = 138.2:
      O   HB    ILE  103 - HN    ILE  103   2.07 +/- 0.02  91.219% * 38.5018% (0.53   6.74 138.21) =  86.989%  kept
          HG12  ILE  103 - HN    ILE  103   3.14 +/- 0.30   8.721% * 60.2348% (0.80   6.93 138.21) =  13.010%  kept
          HB3   ASP- 105 - HN    ILE  103   8.80 +/- 0.10   0.016% *  0.0973% (0.45   0.02   5.80) =   0.000%
          QB    LYS+ 106 - HN    ILE  103   7.79 +/- 0.34   0.034% *  0.0430% (0.20   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    ILE  103   9.90 +/- 0.99   0.009% *  0.1404% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE  103  15.27 +/- 0.73   0.001% *  0.0741% (0.34   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ILE  103  19.39 +/- 0.57   0.000% *  0.2128% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ILE  103  17.38 +/- 0.49   0.000% *  0.0973% (0.45   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE  103  21.46 +/- 1.27   0.000% *  0.1229% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ILE  103  24.05 +/- 1.10   0.000% *  0.2128% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ILE  103  20.42 +/- 0.30   0.000% *  0.0483% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE  103  22.96 +/- 0.74   0.000% *  0.0483% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE  103  24.37 +/- 0.87   0.000% *  0.0604% (0.28   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ILE  103  27.41 +/- 0.76   0.000% *  0.1057% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 6.24, residual support = 138.2:
          HG13  ILE  103 - HN    ILE  103   4.03 +/- 0.29  99.639% * 98.5459% (0.65   6.24 138.21) =  99.999%  kept
          QG2   VAL  107 - HN    ILE  103  12.86 +/- 0.22   0.101% *  0.4843% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    ILE  103  13.21 +/- 0.63   0.090% *  0.4715% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  103  12.33 +/- 1.01   0.146% *  0.0856% (0.18   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  103  19.26 +/- 0.38   0.009% *  0.3161% (0.65   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ILE  103  17.78 +/- 0.58   0.015% *  0.0967% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 3 structures by 0.14 A, kept.
 
    Peak 636 (0.98, 8.62, 122.05 ppm):
    8 chemical-shift based assignments, quality = 0.789, support = 6.07, residual support = 138.2:
          QG2   ILE  103 - HN    ILE  103   3.51 +/- 0.02  39.242% * 70.5792% (1.00   6.31 138.21) =  61.790%  kept
          QD1   ILE  103 - HN    ILE  103   3.22 +/- 0.59  60.119% * 28.4859% (0.45   5.68 138.21) =  38.207%  kept
          QD2   LEU   40 - HN    ILE  103   6.98 +/- 0.25   0.603% *  0.2158% (0.97   0.02   0.02) =   0.003%
          QD1   LEU   67 - HN    ILE  103  12.55 +/- 1.31   0.020% *  0.2192% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ILE  103  14.90 +/- 0.30   0.007% *  0.1266% (0.57   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ILE  103  15.91 +/- 0.57   0.004% *  0.0919% (0.41   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    ILE  103  16.17 +/- 0.33   0.004% *  0.0622% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ILE  103  20.78 +/- 0.54   0.001% *  0.2192% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 7.26, residual support = 216.1:
          HG    LEU  104 - HN    LEU  104   2.77 +/- 0.06  98.450% * 97.5628% (0.45   7.26 216.13) =  99.994%  kept
          HG2   LYS+ 106 - HN    LEU  104   5.74 +/- 0.56   1.435% *  0.4120% (0.69   0.02   0.02) =   0.006%
          HB3   LYS+ 121 - HN    LEU  104   8.89 +/- 0.86   0.107% *  0.2689% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LEU  104  16.21 +/- 1.60   0.003% *  0.5945% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    LEU  104  15.77 +/- 0.30   0.003% *  0.3396% (0.57   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LEU  104  17.48 +/- 0.43   0.002% *  0.3638% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    LEU  104  22.98 +/- 0.49   0.000% *  0.4584% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 638 (1.00, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.245, support = 7.24, residual support = 181.7:
      O   HB2   LEU  104 - HN    LEU  104   2.30 +/- 0.04  81.364% * 41.4105% (0.22   7.38 216.13) =  80.711%  kept
          QG2   ILE  103 - HN    LEU  104   3.09 +/- 0.07  14.046% * 57.2483% (0.34   6.66  37.92) =  19.262%  kept
          QD2   LEU   40 - HN    LEU  104   3.77 +/- 0.24   4.552% *  0.2452% (0.49   0.02   0.02) =   0.027%
          QD1   LEU   67 - HN    LEU  104   8.97 +/- 1.45   0.034% *  0.2258% (0.45   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    LEU  104  14.67 +/- 0.66   0.001% *  0.4993% (0.99   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    LEU  104  13.04 +/- 0.44   0.003% *  0.2452% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU  104  18.25 +/- 0.59   0.000% *  0.1256% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.789, support = 7.5, residual support = 195.3:
          QD2   LEU  104 - HN    LEU  104   2.98 +/- 0.15  83.140% * 64.4611% (0.80   7.79 216.13) =  90.015%  kept
          QD1   LEU   98 - HN    LEU  104   3.97 +/- 0.33  16.843% * 35.2953% (0.69   4.97   7.82) =   9.985%  kept
          QD1   ILE   19 - HN    LEU  104  15.71 +/- 0.35   0.004% *  0.1338% (0.65   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LEU  104  14.11 +/- 0.70   0.008% *  0.0460% (0.22   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU  104  15.38 +/- 0.39   0.005% *  0.0638% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 640 (3.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 7.78, residual support = 60.6:
          HB2   PHE   97 - HN    ASP- 105   2.02 +/- 0.16  99.718% * 98.8659% (0.69   7.78  60.61) = 100.000%  kept
          QE    LYS+ 106 - HN    ASP- 105   5.75 +/- 0.53   0.240% *  0.0922% (0.25   0.02  21.37) =   0.000%
          QE    LYS+  99 - HN    ASP- 105   8.76 +/- 0.55   0.017% *  0.3318% (0.90   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ASP- 105   8.44 +/- 0.49   0.022% *  0.1521% (0.41   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ASP- 105  15.17 +/- 0.58   0.001% *  0.2393% (0.65   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ASP- 105  17.84 +/- 0.58   0.000% *  0.2686% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ASP- 105  14.10 +/- 0.67   0.001% *  0.0501% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 5.51, residual support = 60.6:
          HB3   PHE   97 - HN    ASP- 105   2.81 +/- 0.26  99.951% * 98.6939% (0.90   5.51  60.61) = 100.000%  kept
          HB2   GLU- 100 - HN    ASP- 105  10.49 +/- 0.52   0.042% *  0.3991% (1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    ASP- 105  15.63 +/- 0.24   0.004% *  0.3912% (0.98   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    ASP- 105  17.11 +/- 0.78   0.002% *  0.1110% (0.28   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ASP- 105  19.65 +/- 0.26   0.001% *  0.1789% (0.45   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    ASP- 105  21.00 +/- 0.45   0.001% *  0.2259% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 642 (2.24, 7.80, 116.22 ppm):
    11 chemical-shift based assignments, quality = 0.801, support = 4.44, residual support = 39.4:
      O   HB2   ASP- 105 - HN    ASP- 105   3.90 +/- 0.03  99.571% * 97.3221% (0.80   4.44  39.37) =  99.999%  kept
          HG2   GLU- 100 - HN    ASP- 105  11.58 +/- 0.35   0.149% *  0.2663% (0.49   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP- 105  12.54 +/- 0.57   0.094% *  0.3758% (0.69   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP- 105  13.46 +/- 0.60   0.062% *  0.1521% (0.28   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ASP- 105  12.68 +/- 0.25   0.086% *  0.1083% (0.20   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP- 105  18.07 +/- 1.10   0.011% *  0.5471% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP- 105  21.22 +/- 0.62   0.004% *  0.5362% (0.98   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    ASP- 105  21.07 +/- 0.47   0.004% *  0.3097% (0.57   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP- 105  18.05 +/- 1.46   0.012% *  0.0740% (0.14   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP- 105  21.00 +/- 0.66   0.004% *  0.1866% (0.34   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP- 105  22.68 +/- 1.35   0.003% *  0.1218% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 0.778, support = 4.36, residual support = 38.2:
      O   HB3   ASP- 105 - HN    ASP- 105   3.02 +/- 0.08  91.435% * 39.4935% (0.76   4.32  39.37) =  93.535%  kept
          QB    LYS+ 106 - HN    ASP- 105   5.06 +/- 0.16   4.240% * 58.7032% (0.98   5.00  21.37) =   6.447%  kept
          HB    ILE  103 - HN    ASP- 105   5.07 +/- 0.17   4.292% *  0.1644% (0.69   0.02   5.80) =   0.018%
          HB3   LYS+  38 - HN    ASP- 105  13.66 +/- 0.72   0.011% *  0.1738% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP- 105  15.73 +/- 0.55   0.005% *  0.2076% (0.87   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASP- 105  16.06 +/- 0.43   0.004% *  0.2076% (0.87   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP- 105  16.24 +/- 0.58   0.004% *  0.1259% (0.53   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ASP- 105  17.87 +/- 1.19   0.002% *  0.1549% (0.65   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASP- 105  16.42 +/- 0.41   0.004% *  0.0898% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP- 105  23.00 +/- 0.57   0.000% *  0.2210% (0.92   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP- 105  23.26 +/- 0.45   0.000% *  0.2310% (0.97   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASP- 105  18.33 +/- 0.26   0.002% *  0.0533% (0.22   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP- 105  23.03 +/- 0.64   0.000% *  0.1738% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 0.601, support = 4.85, residual support = 24.8:
          HG2   LYS+ 106 - HN    ASP- 105   4.16 +/- 0.57  64.271% * 47.3667% (0.69   3.92  21.37) =  64.018%  kept
          HG    LEU  104 - HN    ASP- 105   4.66 +/- 0.08  33.253% * 51.4450% (0.45   6.52  30.77) =  35.974%  kept
          HB3   LYS+ 121 - HN    ASP- 105   7.32 +/- 0.72   2.388% *  0.1578% (0.45   0.02   0.02) =   0.008%
          HB3   LYS+ 111 - HN    ASP- 105  13.47 +/- 0.30   0.057% *  0.1993% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    ASP- 105  17.74 +/- 1.58   0.012% *  0.3488% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ASP- 105  16.72 +/- 0.46   0.016% *  0.2135% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    ASP- 105  22.87 +/- 0.45   0.002% *  0.2690% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.50 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 = 0.302, support = 3.95, residual support = 13.9:
          QG2   ILE  103 - HN    ASP- 105   2.38 +/- 0.19  74.157% * 39.4239% (0.34   2.80   5.80) =  67.361%  kept
          HB2   LEU  104 - HN    ASP- 105   2.91 +/- 0.10  24.255% * 58.3759% (0.22   6.35  30.77) =  32.624%  kept
          QD2   LEU   40 - HN    ASP- 105   4.63 +/- 0.26   1.538% *  0.4023% (0.49   0.02   0.02) =   0.014%
          QD1   LEU   67 - HN    ASP- 105   8.87 +/- 1.56   0.043% *  0.3705% (0.45   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    ASP- 105  11.66 +/- 0.35   0.005% *  0.4023% (0.49   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ASP- 105  14.35 +/- 0.71   0.002% *  0.8191% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ASP- 105  17.73 +/- 0.59   0.000% *  0.2061% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 3.62, residual support = 21.4:
          HB2   ASP- 105 - HN    LYS+ 106   2.24 +/- 0.12  99.952% * 97.7057% (0.98   3.62  21.37) = 100.000%  kept
          HB2   MET   96 - HN    LYS+ 106   8.51 +/- 0.24   0.036% *  0.1698% (0.31   0.02   2.30) =   0.000%
          HG12  ILE  119 - HN    LYS+ 106  10.68 +/- 0.47   0.010% *  0.2261% (0.41   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    LYS+ 106  15.94 +/- 0.79   0.001% *  0.4933% (0.90   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    LYS+ 106  15.84 +/- 0.34   0.001% *  0.4204% (0.76   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LYS+ 106  20.95 +/- 0.42   0.000% *  0.4594% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    LYS+ 106  24.02 +/- 0.61   0.000% *  0.4404% (0.80   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LYS+ 106  19.73 +/- 0.58   0.000% *  0.0849% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 647 (1.87, 8.97, 118.18 ppm):
    13 chemical-shift based assignments, quality = 0.953, support = 4.99, residual support = 117.5:
      O   QB    LYS+ 106 - HN    LYS+ 106   2.88 +/- 0.14  79.103% * 63.5460% (0.98   5.18 131.09) =  87.592%  kept
          HB3   ASP- 105 - HN    LYS+ 106   3.62 +/- 0.11  20.597% * 34.5684% (0.76   3.61  21.37) =  12.407%  kept
          HB    ILE  103 - HN    LYS+ 106   7.44 +/- 0.20   0.281% *  0.1719% (0.69   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    LYS+ 106  13.63 +/- 0.41   0.007% *  0.2171% (0.87   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+ 106  14.43 +/- 0.33   0.005% *  0.0939% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+ 106  17.94 +/- 0.71   0.001% *  0.1818% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+ 106  18.88 +/- 0.52   0.001% *  0.2171% (0.87   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+ 106  19.00 +/- 0.58   0.001% *  0.1317% (0.53   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+ 106  20.11 +/- 1.05   0.001% *  0.1619% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+ 106  16.75 +/- 0.26   0.002% *  0.0557% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+ 106  21.32 +/- 0.56   0.000% *  0.2311% (0.92   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+ 106  21.42 +/- 0.57   0.000% *  0.1818% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+ 106  23.50 +/- 0.42   0.000% *  0.2416% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 2.6, residual support = 2.8:
          QG2   THR  118 - HN    LYS+ 106   4.01 +/- 0.24 100.000% *100.0000% (0.53   2.60   2.80) = 100.000%  kept
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 651 (3.20, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 2.31, residual support = 40.7:
          HB2   PHE   95 - HN    VAL  107   2.75 +/- 0.19 100.000% *100.0000% (1.00   2.31  40.66) = 100.000%  kept
    Distance limit 4.39 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 = 53.5:
      O   HB    VAL  107 - HN    VAL  107   2.58 +/- 0.38  99.917% * 98.4308% (0.99   3.33  53.50) = 100.000%  kept
          HB3   PHE   45 - HN    VAL  107   9.81 +/- 0.31   0.051% *  0.4092% (0.69   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    VAL  107  11.15 +/- 0.60   0.030% *  0.4092% (0.69   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    VAL  107  19.77 +/- 0.88   0.001% *  0.4092% (0.69   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    VAL  107  18.28 +/- 0.48   0.001% *  0.2236% (0.38   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    VAL  107  24.45 +/- 0.59   0.000% *  0.1179% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (1.88, 9.57, 125.50 ppm):
    13 chemical-shift based assignments, quality = 0.526, support = 4.28, residual support = 19.9:
          QB    LYS+ 106 - HN    VAL  107   2.92 +/- 0.18  98.658% * 94.4592% (0.53   4.28  19.87) =  99.996%  kept
          HB3   ASP- 105 - HN    VAL  107   6.33 +/- 0.22   1.113% *  0.2093% (0.25   0.02   0.02) =   0.002%
          HB    ILE   56 - HN    VAL  107   9.87 +/- 0.50   0.072% *  0.7748% (0.92   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    VAL  107  10.61 +/- 0.30   0.047% *  0.7527% (0.90   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    VAL  107   9.59 +/- 0.31   0.091% *  0.1661% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    VAL  107  14.32 +/- 0.27   0.008% *  0.6095% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    VAL  107  17.36 +/- 0.56   0.002% *  0.8227% (0.98   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    VAL  107  19.53 +/- 0.69   0.001% *  0.8319% (0.99   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    VAL  107  17.47 +/- 0.47   0.002% *  0.3451% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    VAL  107  18.26 +/- 0.49   0.002% *  0.2863% (0.34   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL  107  17.58 +/- 0.63   0.002% *  0.1869% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    VAL  107  20.49 +/- 0.39   0.001% *  0.4085% (0.49   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL  107  20.27 +/- 0.85   0.001% *  0.1470% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 3.52, residual support = 53.5:
          QG1   VAL  107 - HN    VAL  107   2.72 +/- 0.39  99.875% * 89.8530% (0.20   3.52  53.50) =  99.997%  kept
          HG13  ILE  119 - HN    VAL  107   9.82 +/- 0.81   0.066% *  2.5538% (0.99   0.02   0.02) =   0.002%
          HG2   LYS+ 121 - HN    VAL  107  10.44 +/- 0.37   0.041% *  0.6425% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL  107  13.40 +/- 0.76   0.010% *  1.5628% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  107  16.69 +/- 0.80   0.003% *  2.5709% (1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    VAL  107  15.62 +/- 0.38   0.003% *  1.5628% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  107  16.51 +/- 1.15   0.003% *  1.2542% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 3.76, residual support = 60.5:
      O   HB    VAL  108 - HN    VAL  108   2.32 +/- 0.07  99.974% * 96.9662% (0.95   3.76  60.50) = 100.000%  kept
          HB2   PRO   93 - HN    VAL  108  10.43 +/- 0.34   0.012% *  0.5156% (0.95   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    VAL  108  11.87 +/- 0.61   0.006% *  0.4165% (0.76   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    VAL  108  13.03 +/- 0.86   0.004% *  0.0954% (0.18   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    VAL  108  17.35 +/- 0.64   0.001% *  0.5342% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    VAL  108  13.72 +/- 0.65   0.003% *  0.0954% (0.18   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    VAL  108  21.78 +/- 0.55   0.000% *  0.4165% (0.76   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    VAL  108  21.95 +/- 0.39   0.000% *  0.3744% (0.69   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    VAL  108  23.48 +/- 0.64   0.000% *  0.2443% (0.45   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    VAL  108  23.57 +/- 0.47   0.000% *  0.0841% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    VAL  108  29.61 +/- 1.56   0.000% *  0.1213% (0.22   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    VAL  108  36.66 +/- 2.70   0.000% *  0.1359% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 2.97, residual support = 9.35:
          QG2   VAL  107 - HN    VAL  108   2.88 +/- 0.40  99.901% * 91.5329% (0.28   2.97   9.35) =  99.998%  kept
          HG13  ILE  119 - HN    VAL  108  11.02 +/- 1.02   0.040% *  2.1002% (0.95   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    VAL  108  11.26 +/- 0.60   0.033% *  1.0807% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL  108  12.14 +/- 0.68   0.022% *  0.7573% (0.34   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    VAL  108  18.28 +/- 0.39   0.002% *  1.9258% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  108  20.66 +/- 0.83   0.001% *  2.0495% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  108  19.08 +/- 1.15   0.002% *  0.5536% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 658 (1.07, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.247, support = 0.0198, residual support = 9.25:
          QG1   VAL  107 - HN    VAL  108   4.07 +/- 0.28  99.626% *  8.8393% (0.25   0.02   9.35) =  98.914%  kept
          HG3   LYS+ 112 - HN    VAL  108  11.20 +/- 0.74   0.248% * 21.5009% (0.61   0.02   0.02) =   0.598%
          HG    LEU   63 - HN    VAL  108  12.56 +/- 0.63   0.119% * 34.2108% (0.97   0.02   0.02) =   0.458%
          QG2   VAL   24 - HN    VAL  108  20.40 +/- 1.10   0.007% * 35.4490% (1.00   0.02   0.02) =   0.029%
    Distance limit 3.49 A violated in 18 structures by 0.59 A, eliminated.
    Peak unassigned.
 
    Peak 659 (3.73, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.64, residual support = 26.9:
      O   HA    VAL   75 - HN    ASP-  76   2.20 +/- 0.02  99.998% * 98.7017% (0.69   4.64  26.93) = 100.000%  kept
          HA    ALA   61 - HN    ASP-  76  14.45 +/- 0.37   0.001% *  0.4253% (0.69   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASP-  76  15.35 +/- 0.43   0.001% *  0.5716% (0.92   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASP-  76  21.77 +/- 0.55   0.000% *  0.3014% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 660 (2.90, 9.10, 128.88 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.7, residual support = 36.1:
      O   HB2   ASP-  76 - HN    ASP-  76   2.21 +/- 0.27  99.730% * 98.7683% (1.00   3.70  36.07) =  99.999%  kept
          HB2   ASP-  78 - HN    ASP-  76   6.43 +/- 0.48   0.265% *  0.3879% (0.73   0.02   3.59) =   0.001%
          HB2   ASN   28 - HN    ASP-  76  13.00 +/- 0.36   0.003% *  0.0824% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  76  15.84 +/- 1.09   0.001% *  0.1189% (0.22   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  76  23.00 +/- 0.51   0.000% *  0.5236% (0.98   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    ASP-  76  21.21 +/- 0.60   0.000% *  0.1189% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 661 (2.25, 9.10, 128.88 ppm):
    11 chemical-shift based assignments, quality = 0.278, support = 3.74, residual support = 36.1:
      O   HB3   ASP-  76 - HN    ASP-  76   3.25 +/- 0.15  99.408% * 89.7142% (0.28   3.74  36.07) =  99.994%  kept
          HB2   ASP-  44 - HN    ASP-  76   8.38 +/- 0.29   0.355% *  0.7740% (0.45   0.02   0.02) =   0.003%
          QG    GLN   90 - HN    ASP-  76  10.56 +/- 0.84   0.109% *  1.1168% (0.65   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    ASP-  76  12.06 +/- 1.57   0.049% *  1.4975% (0.87   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    ASP-  76  12.10 +/- 0.70   0.041% *  0.9774% (0.57   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP-  76  13.28 +/- 0.52   0.023% *  1.6331% (0.95   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  76  17.18 +/- 1.53   0.006% *  0.8403% (0.49   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP-  76  17.12 +/- 1.30   0.005% *  0.5889% (0.34   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  76  20.10 +/- 0.62   0.002% *  1.6331% (0.95   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    ASP-  76  19.49 +/- 0.32   0.002% *  0.8403% (0.49   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP-  76  24.03 +/- 0.47   0.001% *  0.3844% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 662 (0.45, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 4.97, residual support = 26.9:
          QG1   VAL   75 - HN    ASP-  76   3.08 +/- 0.38  99.989% * 99.7156% (0.69   4.97  26.93) = 100.000%  kept
          QD1   LEU  115 - HN    ASP-  76  14.68 +/- 0.66   0.011% *  0.2844% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.01 A, kept.
 
    Peak 663 (0.13, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.64, residual support = 26.9:
          QG2   VAL   75 - HN    ASP-  76   3.87 +/- 0.14  99.865% * 99.6073% (0.98   4.64  26.93) =  99.999%  kept
          QG2   VAL   42 - HN    ASP-  76  11.94 +/- 1.03   0.135% *  0.3927% (0.90   0.02   0.02) =   0.001%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 664 (3.69, 8.60, 114.88 ppm):
    6 chemical-shift based assignments, quality = 0.427, support = 2.2, residual support = 9.35:
      O   HA2   GLY  109 - HN    GLY  109   2.65 +/- 0.13  99.976% * 94.2644% (0.43   2.20   9.35) = 100.000%  kept
          HA    THR  118 - HN    GLY  109  12.29 +/- 0.25   0.010% *  1.3100% (0.65   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    GLY  109  14.43 +/- 0.24   0.004% *  1.4575% (0.73   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    GLY  109  14.45 +/- 0.63   0.004% *  1.1542% (0.58   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    GLY  109  16.89 +/- 0.77   0.002% *  1.3941% (0.70   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    GLY  109  14.70 +/- 0.65   0.004% *  0.4199% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 0.683, support = 0.0196, residual support = 0.0196:
          HG3   LYS+ 111 - HN    GLY  109   6.03 +/- 0.46  97.094% * 20.3763% (0.70   0.02   0.02) =  98.019%  kept
          HG12  ILE   89 - HN    GLY  109  12.91 +/- 0.66   1.183% * 21.3024% (0.73   0.02   0.02) =   1.249%
          HG2   LYS+  74 - HN    GLY  109  14.22 +/- 0.71   0.676% * 13.3882% (0.46   0.02   0.02) =   0.448%
          HD2   LYS+ 112 - HN    GLY  109  13.54 +/- 0.42   0.847% *  4.3683% (0.15   0.02   0.02) =   0.183%
          HG3   LYS+  99 - HN    GLY  109  21.05 +/- 0.43   0.057% * 12.4970% (0.43   0.02   0.02) =   0.036%
          HG    LEU   71 - HN    GLY  109  22.11 +/- 0.95   0.045% * 14.2794% (0.49   0.02   0.02) =   0.032%
          HG13  ILE   19 - HN    GLY  109  22.14 +/- 0.53   0.044% *  8.2844% (0.28   0.02   0.02) =   0.018%
          HB3   LEU   71 - HN    GLY  109  21.43 +/- 0.52   0.053% *  5.5041% (0.19   0.02   0.02) =   0.014%
    Distance limit 4.60 A violated in 20 structures by 1.43 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 = 7.42:
          QG1   VAL  108 - HN    GLY  109   2.57 +/- 0.26  99.992% * 98.9381% (0.65   3.09   7.42) = 100.000%  kept
          QD1   LEU   40 - HN    GLY  109  14.45 +/- 0.37   0.004% *  0.5069% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    GLY  109  15.24 +/- 0.35   0.003% *  0.2517% (0.26   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    GLY  109  16.86 +/- 0.90   0.001% *  0.3034% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 668 (3.69, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 2.2, residual support = 6.47:
      O   HA2   GLY  109 - HN    ALA  110   2.61 +/- 0.30  99.975% * 94.2644% (0.57   2.20   6.47) = 100.000%  kept
          HA    THR  118 - HN    ALA  110  13.47 +/- 0.40   0.008% *  1.3100% (0.87   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA  110  14.50 +/- 0.48   0.005% *  1.4575% (0.97   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  110  14.19 +/- 0.61   0.005% *  1.3941% (0.92   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  110  15.73 +/- 0.56   0.003% *  1.1542% (0.76   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  110  15.09 +/- 0.63   0.004% *  0.4199% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 669 (1.84, 8.75, 122.21 ppm):
    14 chemical-shift based assignments, quality = 0.221, support = 0.744, residual support = 6.53:
          HG2   PRO   93 - HN    ALA  110   2.72 +/- 0.73  93.373% * 54.6666% (0.22   0.75   6.58) =  99.188%  kept
          HB3   PRO   52 - HN    ALA  110   5.33 +/- 1.02   6.466% *  6.4182% (0.98   0.02   0.02) =   0.806%
          QB    LYS+ 106 - HN    ALA  110   9.93 +/- 0.57   0.102% *  1.2958% (0.20   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HN    ALA  110  12.62 +/- 0.68   0.020% *  3.1872% (0.49   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ALA  110  12.72 +/- 0.59   0.016% *  1.8205% (0.28   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    ALA  110  14.76 +/- 0.58   0.008% *  2.9356% (0.45   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    ALA  110  17.22 +/- 0.93   0.003% *  5.2431% (0.80   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ALA  110  17.17 +/- 0.68   0.003% *  2.9356% (0.45   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ALA  110  19.49 +/- 0.67   0.001% *  6.4182% (0.98   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA  110  17.87 +/- 0.64   0.003% *  3.4450% (0.53   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    ALA  110  19.71 +/- 1.13   0.001% *  4.2358% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA  110  19.44 +/- 0.45   0.001% *  1.4578% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA  110  25.63 +/- 0.70   0.000% *  3.7071% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ALA  110  23.53 +/- 0.63   0.000% *  2.2335% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 670 (1.44, 8.75, 122.21 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.12, residual support = 9.58:
      O   QB    ALA  110 - HN    ALA  110   2.13 +/- 0.15  99.947% * 90.9421% (0.69   2.12   9.58) = 100.000%  kept
          HB3   LEU  115 - HN    ALA  110   7.95 +/- 0.59   0.048% *  0.5135% (0.41   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA  110  12.76 +/- 0.42   0.003% *  1.1202% (0.90   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA  110  17.49 +/- 0.89   0.000% *  1.2380% (0.99   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA  110  18.44 +/- 0.79   0.000% *  1.1202% (0.90   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA  110  18.66 +/- 1.21   0.000% *  0.9070% (0.73   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA  110  20.46 +/- 0.83   0.000% *  1.2243% (0.98   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA  110  19.14 +/- 0.79   0.000% *  0.5135% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA  110  17.70 +/- 0.77   0.000% *  0.2781% (0.22   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  110  20.12 +/- 1.47   0.000% *  0.3855% (0.31   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA  110  22.45 +/- 0.76   0.000% *  0.7576% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA  110  24.17 +/- 1.36   0.000% *  1.0001% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 671 (2.02, 7.58, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.997, support = 7.05, residual support = 313.6:
      O   HB2   LYS+ 111 - HN    LYS+ 111   3.40 +/- 0.33  82.196% * 98.2120% (1.00   7.06 313.66) =  99.968%  kept
          QB    GLU- 114 - HN    LYS+ 111   4.57 +/- 0.37  17.727% *  0.1468% (0.53   0.02   1.93) =   0.032%
          HB    ILE  119 - HN    LYS+ 111  11.35 +/- 0.59   0.069% *  0.0696% (0.25   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 111  20.89 +/- 0.77   0.002% *  0.2735% (0.98   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 111  20.51 +/- 0.34   0.002% *  0.1251% (0.45   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 111  23.46 +/- 0.64   0.001% *  0.2735% (0.98   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 111  23.41 +/- 0.62   0.001% *  0.2502% (0.90   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 111  24.06 +/- 0.72   0.001% *  0.1468% (0.53   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 111  23.09 +/- 0.41   0.001% *  0.1047% (0.38   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 111  22.70 +/- 0.61   0.001% *  0.0696% (0.25   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 111  28.86 +/- 0.52   0.000% *  0.2420% (0.87   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 111  25.66 +/- 0.26   0.000% *  0.0861% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 672 (1.52, 7.58, 125.75 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.36, residual support = 313.7:
      O   HB3   LYS+ 111 - HN    LYS+ 111   2.29 +/- 0.31  99.985% * 98.0339% (0.92   5.36 313.66) = 100.000%  kept
          HB3   LYS+ 121 - HN    LYS+ 111  13.00 +/- 0.47   0.005% *  0.3881% (0.98   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LYS+ 111  13.36 +/- 0.60   0.004% *  0.3551% (0.90   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+ 111  13.20 +/- 1.49   0.004% *  0.1628% (0.41   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+ 111  16.55 +/- 1.10   0.001% *  0.3170% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+ 111  18.03 +/- 0.24   0.001% *  0.3881% (0.98   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 111  18.57 +/- 0.75   0.001% *  0.1350% (0.34   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 111  20.53 +/- 0.35   0.000% *  0.1101% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+ 111  25.82 +/- 1.25   0.000% *  0.1101% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.01 A, kept.
 
    Peak 673 (1.22, 7.58, 125.75 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 6.54, residual support = 313.7:
          HG3   LYS+ 111 - HN    LYS+ 111   3.29 +/- 0.22  99.631% * 98.8195% (0.92   6.54 313.66) = 100.000%  kept
          HD2   LYS+ 112 - HN    LYS+ 111   8.61 +/- 0.22   0.345% *  0.0648% (0.20   0.02  26.37) =   0.000%
          HG2   LYS+  74 - HN    LYS+ 111  14.64 +/- 0.60   0.015% *  0.1985% (0.61   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    LYS+ 111  17.16 +/- 0.49   0.005% *  0.3158% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    LYS+ 111  21.85 +/- 0.51   0.001% *  0.1853% (0.57   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    LYS+ 111  22.65 +/- 0.62   0.001% *  0.2117% (0.65   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    LYS+ 111  22.41 +/- 0.46   0.001% *  0.1228% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 111  21.94 +/- 0.65   0.001% *  0.0816% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 1 structures by 0.03 A, kept.
 
    Peak 674 (0.80, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 2.29, residual support = 2.29:
          QD1   ILE   56 - HN    LYS+ 111   3.41 +/- 0.45  99.934% * 97.6238% (0.76   2.29   2.29) =  99.999%  kept
          HG3   LYS+ 121 - HN    LYS+ 111  13.31 +/- 0.54   0.035% *  1.0746% (0.97   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    LYS+ 111  15.45 +/- 1.25   0.016% *  0.5420% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    LYS+ 111  15.27 +/- 0.40   0.015% *  0.3798% (0.34   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LYS+ 111  22.42 +/- 0.73   0.002% *  0.3798% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 675 (3.46, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.72, residual support = 236.3:
      O   HA    LYS+ 112 - HN    LYS+ 112   2.76 +/- 0.02  99.987% * 99.5201% (0.87   5.72 236.33) = 100.000%  kept
          HB    THR   46 - HN    LYS+ 112  12.66 +/- 0.98   0.012% *  0.1368% (0.34   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    LYS+ 112  17.78 +/- 0.32   0.001% *  0.2432% (0.61   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LYS+ 112  25.31 +/- 0.59   0.000% *  0.1000% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 7.07, residual support = 26.4:
          HB2   LYS+ 111 - HN    LYS+ 112   4.15 +/- 0.18  84.823% * 97.8544% (0.87   7.07  26.37) =  99.984%  kept
          QB    GLU- 114 - HN    LYS+ 112   5.68 +/- 0.16  13.107% *  0.0887% (0.28   0.02   0.02) =   0.014%
          HB    VAL  108 - HN    LYS+ 112   8.48 +/- 0.91   1.557% *  0.0887% (0.28   0.02   0.02) =   0.002%
          HB    ILE  119 - HN    LYS+ 112  10.92 +/- 0.33   0.260% *  0.1553% (0.49   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+ 112  11.20 +/- 0.56   0.235% *  0.0710% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 112  21.86 +/- 0.97   0.004% *  0.2555% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 112  24.16 +/- 0.73   0.002% *  0.3191% (1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 112  24.60 +/- 0.64   0.002% *  0.2555% (0.80   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 112  26.75 +/- 0.84   0.001% *  0.2555% (0.80   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 112  25.49 +/- 0.65   0.002% *  0.1553% (0.49   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 112  22.75 +/- 0.46   0.003% *  0.0710% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 112  28.71 +/- 0.22   0.001% *  0.1806% (0.57   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 112  23.71 +/- 0.47   0.003% *  0.0559% (0.18   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 112  31.93 +/- 0.50   0.000% *  0.1935% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 1 structures by 0.03 A, kept.
 
    Peak 677 (1.39, 8.49, 124.18 ppm):
    13 chemical-shift based assignments, quality = 0.764, support = 5.71, residual support = 236.3:
      O   HB2   LYS+ 112 - HN    LYS+ 112   2.10 +/- 0.26  99.923% * 96.4778% (0.76   5.71 236.33) = 100.000%  kept
          HB3   PRO   93 - HN    LYS+ 112   7.87 +/- 0.64   0.073% *  0.0683% (0.15   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+ 112  14.26 +/- 1.62   0.002% *  0.1660% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+ 112  15.28 +/- 0.40   0.001% *  0.2862% (0.65   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+ 112  17.28 +/- 0.32   0.000% *  0.4084% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 112  19.26 +/- 0.94   0.000% *  0.4084% (0.92   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+ 112  19.13 +/- 0.32   0.000% *  0.3039% (0.69   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 112  18.78 +/- 0.57   0.000% *  0.1819% (0.41   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 112  21.07 +/- 0.27   0.000% *  0.3838% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 112  26.19 +/- 0.78   0.000% *  0.3695% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 112  22.93 +/- 0.51   0.000% *  0.1103% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 112  29.18 +/- 0.79   0.000% *  0.4270% (0.97   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 112  28.64 +/- 1.80   0.000% *  0.4084% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 678 (1.18, 8.49, 124.18 ppm):
    6 chemical-shift based assignments, quality = 0.883, support = 5.91, residual support = 236.3:
      O   HB3   LYS+ 112 - HN    LYS+ 112   3.25 +/- 0.29  90.956% * 61.6008% (0.90   5.88 236.33) =  96.711%  kept
          HD2   LYS+ 112 - HN    LYS+ 112   5.34 +/- 0.20   5.020% * 37.9128% (0.49   6.67 236.33) =   3.285%  kept
          QG2   VAL  107 - HN    LYS+ 112   5.57 +/- 0.13   3.880% *  0.0462% (0.20   0.02   0.02) =   0.003%
          QG2   THR   94 - HN    LYS+ 112   9.69 +/- 0.29   0.140% *  0.2025% (0.87   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LYS+ 112  18.64 +/- 0.54   0.003% *  0.1416% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 112  24.35 +/- 0.56   0.001% *  0.0960% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 6.24, residual support = 236.3:
          HG2   LYS+ 112 - HN    LYS+ 112   3.58 +/- 0.34  99.850% * 98.1788% (0.34   6.24 236.33) =  99.999%  kept
          QB    ALA   47 - HN    LYS+ 112  12.76 +/- 0.69   0.063% *  0.7386% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    LYS+ 112  12.44 +/- 0.27   0.063% *  0.6336% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    LYS+ 112  14.72 +/- 0.36   0.023% *  0.4490% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 681 (0.80, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.74, residual support = 7.38:
          QD1   ILE   56 - HN    LYS+ 112   3.37 +/- 0.29  99.965% * 96.8852% (0.76   1.74   7.38) = 100.000%  kept
          HG3   LYS+ 121 - HN    LYS+ 112  15.05 +/- 0.56   0.014% *  1.4086% (0.97   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    LYS+ 112  14.96 +/- 0.33   0.015% *  0.4979% (0.34   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    LYS+ 112  17.67 +/- 1.23   0.005% *  0.7104% (0.49   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LYS+ 112  25.80 +/- 0.69   0.001% *  0.4979% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 682 (1.06, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.94, residual support = 236.3:
          HG3   LYS+ 112 - HN    LYS+ 112   3.55 +/- 0.17  99.521% * 99.2174% (0.87   5.94 236.33) = 100.000%  kept
          QG2   VAL  108 - HN    LYS+ 112   8.98 +/- 0.72   0.427% *  0.0594% (0.15   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    LYS+ 112  12.73 +/- 0.90   0.051% *  0.3776% (0.98   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LYS+ 112  24.25 +/- 0.81   0.001% *  0.3455% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 4 structures by 0.16 A, kept.
 
    Peak 683 (3.46, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 5.05, residual support = 14.9:
      O   HA    LYS+ 112 - HN    ASP- 113   3.53 +/- 0.02  99.973% * 99.4567% (0.74   5.05  14.91) = 100.000%  kept
          HB    THR   46 - HN    ASP- 113  14.92 +/- 0.98   0.019% *  0.1548% (0.29   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    ASP- 113  17.22 +/- 0.30   0.007% *  0.2753% (0.52   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    ASP- 113  27.49 +/- 0.51   0.000% *  0.1132% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 3.3, residual support = 13.9:
      O   QB    ASP- 113 - HN    ASP- 113   2.14 +/- 0.16 100.000% *100.0000% (0.82   3.30  13.90) = 100.000%  kept
    Distance limit 3.12 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 = 2.56, residual support = 20.3:
          QG    GLU- 114 - HN    ASP- 113   4.59 +/- 0.20  99.192% * 92.8253% (0.26   2.56  20.30) =  99.989%  kept
          HG2   PRO   52 - HN    ASP- 113  12.12 +/- 0.78   0.342% *  1.7988% (0.65   0.02   0.02) =   0.007%
          HB2   PRO   58 - HN    ASP- 113  12.39 +/- 0.46   0.271% *  1.1457% (0.41   0.02   0.02) =   0.003%
          HG2   MET   92 - HN    ASP- 113  14.34 +/- 1.97   0.189% *  0.5869% (0.21   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    ASP- 113  24.31 +/- 0.55   0.005% *  0.8834% (0.32   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ASP- 113  35.53 +/- 0.47   0.000% *  2.1728% (0.79   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP- 113  34.26 +/- 1.01   0.001% *  0.5869% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.03 A, kept.
 
    Peak 686 (2.02, 8.43, 117.70 ppm):
    12 chemical-shift based assignments, quality = 0.813, support = 3.58, residual support = 6.78:
          HB2   LYS+ 111 - HN    ASP- 113   3.39 +/- 0.41  81.730% * 66.6036% (0.85   3.61   5.37) =  90.577%  kept
          QB    GLU- 114 - HN    ASP- 113   4.43 +/- 0.24  18.136% * 31.2233% (0.45   3.21  20.30) =   9.422%  kept
          HB    ILE  119 - HN    ASP- 113   9.99 +/- 0.32   0.129% *  0.0921% (0.21   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP- 113  23.31 +/- 0.92   0.001% *  0.3621% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP- 113  24.55 +/- 0.60   0.001% *  0.3313% (0.76   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP- 113  25.41 +/- 0.65   0.001% *  0.3621% (0.84   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP- 113  24.13 +/- 0.38   0.001% *  0.1656% (0.38   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP- 113  23.90 +/- 0.43   0.001% *  0.1387% (0.32   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP- 113  28.11 +/- 0.79   0.000% *  0.1944% (0.45   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP- 113  26.70 +/- 0.58   0.000% *  0.0921% (0.21   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP- 113  33.67 +/- 0.47   0.000% *  0.3205% (0.74   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP- 113  28.44 +/- 0.26   0.000% *  0.1140% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.55 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 = 4.99, residual support = 14.9:
          HB2   LYS+ 112 - HN    ASP- 113   3.40 +/- 0.13  99.766% * 95.9949% (0.65   4.99  14.91) = 100.000%  kept
          HB3   PRO   93 - HN    ASP- 113  10.08 +/- 0.63   0.163% *  0.0776% (0.13   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP- 113  12.95 +/- 1.64   0.043% *  0.1888% (0.32   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP- 113  15.27 +/- 0.30   0.012% *  0.3255% (0.55   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ASP- 113  17.90 +/- 0.32   0.005% *  0.4644% (0.79   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ASP- 113  20.20 +/- 0.90   0.002% *  0.4644% (0.79   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP- 113  19.31 +/- 0.34   0.003% *  0.3456% (0.59   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ASP- 113  22.51 +/- 0.21   0.001% *  0.4364% (0.74   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP- 113  20.67 +/- 0.50   0.002% *  0.2068% (0.35   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP- 113  25.76 +/- 0.87   0.001% *  0.4202% (0.71   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ASP- 113  29.56 +/- 1.74   0.000% *  0.4644% (0.79   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ASP- 113  30.10 +/- 0.83   0.000% *  0.4855% (0.82   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP- 113  24.86 +/- 0.49   0.001% *  0.1254% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 688 (1.18, 8.43, 117.70 ppm):
    6 chemical-shift based assignments, quality = 0.752, support = 4.87, residual support = 14.9:
          HB3   LYS+ 112 - HN    ASP- 113   3.57 +/- 0.20  89.926% * 60.2492% (0.76   4.83  14.91) =  96.350%  kept
          HD2   LYS+ 112 - HN    ASP- 113   6.23 +/- 0.55   5.232% * 39.1717% (0.41   5.79  14.91) =   3.645%  kept
          QG2   VAL  107 - HN    ASP- 113   5.84 +/- 0.12   4.690% *  0.0550% (0.17   0.02   0.02) =   0.005%
          QG2   THR   94 - HN    ASP- 113  10.42 +/- 0.25   0.147% *  0.2412% (0.74   0.02   0.02) =   0.001%
          HG13  ILE  103 - HN    ASP- 113  18.73 +/- 0.56   0.004% *  0.1686% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    ASP- 113  25.10 +/- 0.50   0.001% *  0.1143% (0.35   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 3.21, residual support = 20.3:
      O   HA    ASP- 113 - HN    GLU- 114   3.64 +/- 0.01  99.370% * 97.9770% (1.00   3.21  20.30) =  99.998%  kept
          HA    ILE   56 - HN    GLU- 114   9.03 +/- 0.37   0.440% *  0.3716% (0.61   0.02   0.02) =   0.002%
          HA    PHE   59 - HN    GLU- 114  10.53 +/- 0.42   0.176% *  0.3716% (0.61   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    GLU- 114  16.85 +/- 0.26   0.010% *  0.2982% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU- 114  21.77 +/- 0.42   0.002% *  0.4906% (0.80   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU- 114  27.13 +/- 0.62   0.001% *  0.3964% (0.65   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU- 114  24.24 +/- 0.51   0.001% *  0.0945% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 3.21, residual support = 20.3:
          QB    ASP- 113 - HN    GLU- 114   2.45 +/- 0.16  99.996% * 99.8563% (0.97   3.21  20.30) = 100.000%  kept
          HB2   ASP-  62 - HN    GLU- 114  13.32 +/- 0.45   0.004% *  0.1437% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 4.73, residual support = 38.9:
          QG    GLU- 114 - HN    GLU- 114   2.80 +/- 0.31  99.980% * 97.8831% (0.84   4.73  38.94) = 100.000%  kept
          HG2   PRO   52 - HN    GLU- 114  13.34 +/- 0.79   0.011% *  0.4856% (0.98   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    GLU- 114  14.26 +/- 1.66   0.009% *  0.3786% (0.76   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU- 114  24.21 +/- 0.51   0.000% *  0.4443% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    GLU- 114  32.69 +/- 0.98   0.000% *  0.3786% (0.76   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    GLU- 114  34.66 +/- 0.53   0.000% *  0.4297% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.864, support = 3.25, residual support = 21.6:
      O   QB    GLU- 114 - HN    GLU- 114   2.17 +/- 0.15  43.989% * 58.0292% (0.84   3.90  38.94) =  53.183%  kept
          HB2   LYS+ 111 - HN    GLU- 114   2.14 +/- 0.45  56.011% * 40.1180% (0.90   2.51   1.93) =  46.817%  kept
          HB2   GLN   17 - HN    GLU- 114  23.24 +/- 0.86   0.000% *  0.3371% (0.95   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU- 114  23.42 +/- 0.39   0.000% *  0.2723% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU- 114  23.24 +/- 0.51   0.000% *  0.2448% (0.69   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU- 114  24.90 +/- 0.71   0.000% *  0.3371% (0.95   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU- 114  23.95 +/- 0.66   0.000% *  0.2161% (0.61   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU- 114  32.86 +/- 0.56   0.000% *  0.3564% (1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU- 114  27.19 +/- 0.74   0.000% *  0.0889% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 693 (1.52, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 0.52, residual support = 1.93:
          HB3   LYS+ 111 - HN    GLU- 114   3.36 +/- 0.38  99.763% * 82.8536% (0.92   0.52   1.93) =  99.994%  kept
          HB3   LYS+ 121 - HN    GLU- 114  11.46 +/- 0.80   0.080% *  3.3842% (0.98   0.02   0.02) =   0.003%
          HD2   LYS+ 121 - HN    GLU- 114  11.10 +/- 1.57   0.131% *  1.4194% (0.41   0.02   0.02) =   0.002%
          QD    LYS+  66 - HN    GLU- 114  15.97 +/- 1.16   0.011% *  2.7646% (0.80   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    GLU- 114  17.13 +/- 0.46   0.007% *  3.0964% (0.90   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    GLU- 114  18.49 +/- 0.44   0.004% *  3.3842% (0.98   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    GLU- 114  19.65 +/- 0.72   0.003% *  1.1777% (0.34   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    GLU- 114  23.61 +/- 0.41   0.001% *  0.9599% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    GLU- 114  28.34 +/- 1.35   0.000% *  0.9599% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 694 (1.14, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.511, support = 0.705, residual support = 1.35:
          QG2   VAL  107 - HN    GLU- 114   4.56 +/- 0.26  91.701% * 57.1521% (0.53   0.68   1.40) =  96.067%  kept
          HD3   LYS+ 112 - HN    GLU- 114   7.16 +/- 0.36   6.532% * 32.2230% (0.15   1.31   0.02) =   3.858%  kept
          HG13  ILE  119 - HN    GLU- 114   9.42 +/- 0.83   1.416% *  2.3173% (0.73   0.02   0.02) =   0.060%
          HG2   LYS+ 121 - HN    GLU- 114  11.94 +/- 0.50   0.294% *  2.4389% (0.76   0.02   0.02) =   0.013%
          QB    ALA   20 - HN    GLU- 114  20.14 +/- 0.48   0.013% *  3.1842% (1.00   0.02   0.02) =   0.001%
          HG13  ILE  103 - HN    GLU- 114  16.63 +/- 0.65   0.041% *  0.4924% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    GLU- 114  25.74 +/- 0.86   0.003% *  2.1921% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.78 A violated in 0 structures by 0.01 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 +/- 0.18  99.977% * 96.9912% (0.57   3.86  14.95) = 100.000%  kept
          HA    GLN   30 - HN    GLY  101  13.28 +/- 0.97   0.021% *  0.5381% (0.61   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLY  101  19.75 +/- 0.74   0.002% *  0.5381% (0.61   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLY  101  26.14 +/- 0.76   0.000% *  0.8562% (0.97   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLY  101  25.23 +/- 0.57   0.000% *  0.6095% (0.69   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLY  101  28.62 +/- 0.91   0.000% *  0.4668% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.89 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   2.93 +/- 0.02  99.996% * 99.4114% (0.53   2.86  15.44) = 100.000%  kept
          HB2   TRP   27 - HN    GLY  101  16.43 +/- 0.87   0.003% *  0.2943% (0.22   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    GLY  101  23.41 +/- 0.39   0.000% *  0.2943% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 72.7:
      O   HA    GLU- 100 - HN    GLU- 100   2.19 +/- 0.05  99.997% * 98.1591% (0.57   6.39  72.68) = 100.000%  kept
          HA    GLN   30 - HN    GLU- 100  12.91 +/- 0.61   0.002% *  0.3293% (0.61   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLU- 100  21.52 +/- 0.56   0.000% *  0.3293% (0.61   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLU- 100  25.06 +/- 0.34   0.000% *  0.3729% (0.69   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLU- 100  26.57 +/- 0.63   0.000% *  0.5239% (0.97   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLU- 100  29.33 +/- 0.75   0.000% *  0.2856% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 698 (2.10, 10.11, 128.03 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 4.33, residual support = 72.7:
          HG3   GLU- 100 - HN    GLU- 100   2.80 +/- 0.31  99.963% * 97.4572% (0.69   4.33  72.68) = 100.000%  kept
          QB    GLN   32 - HN    GLU- 100  11.14 +/- 0.64   0.032% *  0.6419% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLU- 100  16.40 +/- 1.31   0.003% *  0.6419% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU- 100  20.95 +/- 0.70   0.001% *  0.6195% (0.95   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    GLU- 100  21.57 +/- 1.72   0.001% *  0.1458% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU- 100  24.89 +/- 0.57   0.000% *  0.1821% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLU- 100  26.57 +/- 4.15   0.000% *  0.1296% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU- 100  27.97 +/- 0.97   0.000% *  0.1821% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 5.61, residual support = 40.1:
          HB2   LYS+  99 - HN    GLU- 100   4.34 +/- 0.07  99.817% * 99.1246% (0.73   5.61  40.14) =  99.999%  kept
          HB    VAL   43 - HN    GLU- 100  12.54 +/- 0.42   0.178% *  0.4068% (0.84   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    GLU- 100  26.18 +/- 0.62   0.002% *  0.3722% (0.76   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    GLU- 100  23.59 +/- 0.51   0.004% *  0.0964% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 700 (1.32, 10.11, 128.03 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 6.39, residual support = 40.1:
          HG2   LYS+  99 - HN    GLU- 100   2.96 +/- 0.25  97.004% * 98.3955% (0.90   6.39  40.14) =  99.990%  kept
          HG2   LYS+  38 - HN    GLU- 100   5.86 +/- 1.25   2.951% *  0.3314% (0.97   0.02   0.02) =   0.010%
          HB2   LEU   31 - HN    GLU- 100  11.54 +/- 0.82   0.034% *  0.1944% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLU- 100  16.18 +/- 0.38   0.004% *  0.1060% (0.31   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    GLU- 100  18.72 +/- 0.38   0.002% *  0.2083% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLU- 100  16.54 +/- 0.41   0.004% *  0.0764% (0.22   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU- 100  24.12 +/- 0.71   0.000% *  0.3248% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLU- 100  21.17 +/- 0.57   0.001% *  0.1412% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLU- 100  24.31 +/- 0.36   0.000% *  0.2221% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 4.73, residual support = 172.3:
      O   HB2   LYS+  99 - HN    LYS+  99   3.03 +/- 0.12  99.881% * 98.8528% (0.99   4.73 172.32) = 100.000%  kept
          HB    VAL   43 - HN    LYS+  99  10.53 +/- 0.34   0.061% *  0.3988% (0.95   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   30  11.33 +/- 0.50   0.040% *  0.0262% (0.06   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+  99  20.56 +/- 0.68   0.001% *  0.2387% (0.57   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    LYS+  99  25.19 +/- 0.64   0.000% *  0.4132% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    GLN   30  14.91 +/- 1.10   0.008% *  0.0157% (0.04   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   30  16.66 +/- 0.95   0.004% *  0.0275% (0.07   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   30  16.47 +/- 0.38   0.004% *  0.0271% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 3.62, residual support = 15.7:
          QB    LEU   98 - HN    LYS+  99   3.02 +/- 0.25  98.743% * 93.1802% (0.57   3.62  15.74) =  99.999%  kept
          HD3   LYS+ 121 - HN    LYS+  99  12.34 +/- 1.20   0.030% *  0.7895% (0.87   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    GLN   30   8.19 +/- 0.81   0.339% *  0.0536% (0.06   0.02  13.61) =   0.000%
          HB3   LEU   67 - HN    LYS+  99  12.34 +/- 0.60   0.025% *  0.4080% (0.45   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN   30   7.21 +/- 0.33   0.627% *  0.0092% (0.01   0.02   4.91) =   0.000%
          HG    LEU   73 - HN    LYS+  99  11.60 +/- 0.58   0.036% *  0.1404% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLN   30  10.63 +/- 0.45   0.060% *  0.0479% (0.05   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LYS+  99  17.22 +/- 0.56   0.003% *  0.8162% (0.90   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  99  18.22 +/- 0.24   0.002% *  0.7602% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    GLN   30  11.52 +/- 0.31   0.035% *  0.0499% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+  99  18.33 +/- 0.38   0.002% *  0.7602% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLN   30  11.95 +/- 0.27   0.029% *  0.0577% (0.06   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  99  17.53 +/- 0.26   0.003% *  0.5520% (0.61   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  99  19.23 +/- 1.19   0.002% *  0.7288% (0.80   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    GLN   30  11.77 +/- 0.69   0.037% *  0.0339% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+  99  20.11 +/- 0.70   0.001% *  0.8783% (0.97   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+  99  16.56 +/- 0.52   0.004% *  0.2530% (0.28   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  99  22.68 +/- 2.07   0.001% *  0.2809% (0.31   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    GLN   30  16.63 +/- 2.46   0.009% *  0.0185% (0.02   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    GLN   30  16.84 +/- 0.48   0.004% *  0.0363% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN   30  16.60 +/- 0.68   0.004% *  0.0268% (0.03   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLN   30  20.19 +/- 0.42   0.001% *  0.0499% (0.05   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLN   30  24.25 +/- 1.17   0.000% *  0.0519% (0.06   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLN   30  20.54 +/- 0.51   0.001% *  0.0166% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 704 (0.72, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.781, support = 3.13, residual support = 18.7:
          QD2   LEU  104 - HN    LYS+  99   2.90 +/- 0.23  82.672% * 46.4463% (0.80   2.96  19.31) =  82.712%  kept
          QD1   LEU   98 - HN    LYS+  99   4.38 +/- 0.81  15.135% * 53.0228% (0.69   3.94  15.74) =  17.287%  kept
          QD1   ILE   19 - HN    GLN   30   5.57 +/- 0.49   2.122% *  0.0167% (0.04   0.02  13.61) =   0.001%
          QD1   ILE   19 - HN    LYS+  99  15.04 +/- 0.42   0.004% *  0.2538% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   98 - HN    GLN   30  11.28 +/- 0.60   0.026% *  0.0177% (0.05   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LYS+  99  14.92 +/- 0.67   0.005% *  0.0873% (0.22   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LYS+  99  16.80 +/- 0.38   0.002% *  0.1211% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    GLN   30  11.73 +/- 0.33   0.020% *  0.0057% (0.01   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    GLN   30  13.46 +/- 0.39   0.009% *  0.0080% (0.02   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    GLN   30  15.75 +/- 0.55   0.003% *  0.0206% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 0.845, support = 4.12, residual support = 18.9:
          QD1   LEU  104 - HN    LYS+  99   4.14 +/- 0.18  55.984% * 93.8797% (0.87   4.17  19.31) =  97.203%  kept
          QD1   LEU   73 - HN    GLN   30   4.37 +/- 0.29  41.016% *  3.6790% (0.06   2.49   4.91) =   2.791%  kept
          QD1   LEU   73 - HN    LYS+  99  10.08 +/- 0.42   0.289% *  0.4503% (0.87   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    LYS+  99  10.97 +/- 0.37   0.165% *  0.4503% (0.87   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    GLN   30   7.34 +/- 0.14   1.869% *  0.0338% (0.07   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    LYS+  99  11.18 +/- 0.73   0.154% *  0.1443% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  99  15.36 +/- 0.54   0.022% *  0.5180% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LYS+  99  15.51 +/- 0.57   0.021% *  0.5145% (0.99   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    GLN   30   9.63 +/- 0.56   0.390% *  0.0140% (0.03   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LYS+  99  15.12 +/- 0.75   0.025% *  0.2134% (0.41   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    GLN   30  15.19 +/- 0.49   0.024% *  0.0296% (0.06   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    GLN   30  15.37 +/- 0.59   0.022% *  0.0296% (0.06   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    GLN   30  20.29 +/- 0.71   0.004% *  0.0340% (0.07   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    GLN   30  16.52 +/- 0.77   0.015% *  0.0095% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 707 (2.38, 9.69, 125.68 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 4.07, residual support = 11.0:
          HB3   PHE   97 - HN    LEU   98   3.58 +/- 0.07  99.557% * 97.5693% (0.65   4.07  11.00) =  99.997%  kept
          HB2   GLU- 100 - HN    LEU   98   9.10 +/- 0.26   0.382% *  0.6643% (0.90   0.02   0.02) =   0.003%
          QG    GLN   32 - HN    LEU   98  13.04 +/- 0.62   0.046% *  0.3897% (0.53   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    LEU   98  18.30 +/- 0.45   0.006% *  0.6187% (0.84   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    LEU   98  18.45 +/- 0.26   0.005% *  0.5931% (0.80   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   98  19.58 +/- 0.25   0.004% *  0.1649% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 708 (1.84, 9.69, 125.68 ppm):
    14 chemical-shift based assignments, quality = 0.693, support = 0.0199, residual support = 21.5:
          HB    VAL   41 - HN    LEU   98   4.56 +/- 1.12  57.588% *  9.0526% (0.65   0.02  17.95) =  54.996%  kept
          HG12  ILE  103 - HN    LEU   98   5.31 +/- 0.64  32.896% * 11.2053% (0.80   0.02  27.71) =  38.885%  kept
          HB3   ASP- 105 - HN    LEU   98   6.83 +/- 0.19   4.196% *  6.2738% (0.45   0.02   5.44) =   2.777%  kept
          HB    ILE  103 - HN    LEU   98   7.13 +/- 0.16   3.353% *  7.3624% (0.53   0.02  27.71) =   2.604%  kept
          QB    LYS+ 106 - HN    LEU   98   8.07 +/- 0.23   1.514% *  2.7693% (0.20   0.02   0.02) =   0.442%
          QB    LYS+  33 - HN    LEU   98  11.25 +/- 0.53   0.221% *  4.7734% (0.34   0.02   0.02) =   0.111%
          QB    LYS+  66 - HN    LEU   98  12.21 +/- 0.39   0.132% *  6.2738% (0.45   0.02   0.02) =   0.087%
          HG    LEU  123 - HN    LEU   98  15.32 +/- 0.72   0.034% * 13.7167% (0.98   0.02   0.02) =   0.050%
          HG3   PRO   68 - HN    LEU   98  15.48 +/- 1.06   0.035% *  7.9226% (0.57   0.02   0.02) =   0.029%
          HB3   PRO   52 - HN    LEU   98  20.79 +/- 1.04   0.005% * 13.7167% (0.98   0.02   0.02) =   0.008%
          HG2   PRO   93 - HN    LEU   98  17.59 +/- 0.37   0.014% *  3.1155% (0.22   0.02   0.02) =   0.005%
          HG2   ARG+  54 - HN    LEU   98  22.35 +/- 0.72   0.003% *  6.8115% (0.49   0.02   0.02) =   0.002%
          QB    LYS+  81 - HN    LEU   98  21.15 +/- 0.49   0.005% *  3.1155% (0.22   0.02   0.02) =   0.002%
          HB3   GLN   90 - HN    LEU   98  22.77 +/- 0.52   0.003% *  3.8908% (0.28   0.02   0.02) =   0.001%
    Distance limit 4.04 A violated in 3 structures by 0.13 A, kept.
 
    Peak 709 (1.41, 9.69, 125.68 ppm):
    13 chemical-shift based assignments, quality = 0.835, support = 5.16, residual support = 81.3:
      O   QB    LEU   98 - HN    LEU   98   3.02 +/- 0.25  96.521% * 97.1117% (0.84   5.16  81.31) =  99.997%  kept
          HB    VAL   42 - HN    LEU   98   5.69 +/- 0.56   3.272% *  0.0789% (0.18   0.02   0.26) =   0.003%
          HD3   LYS+ 121 - HN    LEU   98  11.33 +/- 1.09   0.044% *  0.4495% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   98   9.84 +/- 0.39   0.093% *  0.1003% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   98  14.20 +/- 0.38   0.010% *  0.4465% (0.99   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   98  14.04 +/- 0.41   0.010% *  0.2914% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   98  12.79 +/- 1.01   0.020% *  0.1003% (0.22   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   98  15.12 +/- 0.25   0.007% *  0.2551% (0.57   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   98  14.12 +/- 0.20   0.010% *  0.1537% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   98  17.08 +/- 0.59   0.003% *  0.4416% (0.98   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   98  16.38 +/- 1.16   0.004% *  0.2370% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   98  16.81 +/- 0.48   0.004% *  0.0789% (0.18   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   98  20.88 +/- 1.73   0.001% *  0.2551% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (0.99, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 4.58, residual support = 10.7:
          QD2   LEU   40 - HN    LEU   98   2.22 +/- 0.27  99.071% * 98.3195% (0.97   4.58  10.70) =  99.997%  kept
          QG2   ILE  103 - HN    LEU   98   5.45 +/- 0.16   0.540% *  0.3857% (0.87   0.02  27.71) =   0.002%
          QD1   LEU   67 - HN    LEU   98   7.52 +/- 1.01   0.091% *  0.4206% (0.95   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    LEU   98   6.07 +/- 0.31   0.274% *  0.0880% (0.20   0.02  27.71) =   0.000%
          QD2   LEU   71 - HN    LEU   98   9.71 +/- 0.21   0.018% *  0.1236% (0.28   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    LEU   98  11.95 +/- 0.65   0.006% *  0.3228% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU   98  15.15 +/- 0.59   0.001% *  0.3398% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 0.347, support = 4.52, residual support = 73.5:
          QD1   LEU   98 - HN    LEU   98   3.26 +/- 0.85  59.323% * 66.6266% (0.38   4.82  81.31) =  87.928%  kept
          QG1   VAL   41 - HN    LEU   98   3.55 +/- 0.43  32.852% * 15.0414% (0.15   2.64  17.95) =  10.993%  kept
          QD2   LEU  104 - HN    LEU   98   5.38 +/- 0.14   2.855% * 16.6402% (0.99   0.46   7.82) =   1.057%
          QG1   VAL   43 - HN    LEU   98   4.99 +/- 0.34   4.902% *  0.2050% (0.28   0.02   0.02) =   0.022%
          QG2   VAL   18 - HN    LEU   98  11.45 +/- 0.69   0.037% *  0.3589% (0.49   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    LEU   98  12.51 +/- 0.34   0.018% *  0.6806% (0.92   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   98  13.25 +/- 0.39   0.013% *  0.4472% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 0.202, support = 4.05, residual support = 57.1:
          QD2   LEU   98 - HN    LEU   98   3.71 +/- 0.46  60.622% * 35.7987% (0.15   4.68  81.31) =  62.653%  kept
          QG2   VAL   41 - HN    LEU   98   4.52 +/- 0.50  24.011% * 46.0059% (0.28   3.34  17.95) =  31.891%  kept
          QD1   LEU  104 - HN    LEU   98   4.86 +/- 0.27  13.027% * 14.3518% (0.31   0.94   7.82) =   5.398%  kept
          QD1   LEU   73 - HN    LEU   98   7.52 +/- 0.40   1.004% *  0.8894% (0.90   0.02   0.02) =   0.026%
          QD1   LEU   63 - HN    LEU   98   7.88 +/- 0.33   0.733% *  0.8894% (0.90   0.02   0.02) =   0.019%
          QD2   LEU   63 - HN    LEU   98   8.56 +/- 0.69   0.514% *  0.8284% (0.84   0.02   0.02) =   0.012%
          QD2   LEU  115 - HN    LEU   98  12.60 +/- 0.55   0.042% *  0.5615% (0.57   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU   98  13.16 +/- 0.46   0.032% *  0.5218% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   98  15.19 +/- 0.74   0.014% *  0.1530% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 713 (2.99, 8.40, 123.79 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 4.84, residual support = 62.6:
      O   HB2   PHE   97 - HN    PHE   97   2.36 +/- 0.09  98.470% * 98.7255% (0.95   4.84  62.60) =  99.996%  kept
          QE    LYS+ 106 - HN    PHE   97   5.00 +/- 0.52   1.481% *  0.2269% (0.53   0.02  12.79) =   0.003%
          QE    LYS+  99 - HN    PHE   97   9.74 +/- 0.48   0.022% *  0.2616% (0.61   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    PHE   97   9.99 +/- 0.34   0.018% *  0.0755% (0.18   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    PHE   97  11.91 +/- 0.65   0.006% *  0.1471% (0.34   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   97  15.09 +/- 0.55   0.001% *  0.4162% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    PHE   97  15.87 +/- 0.46   0.001% *  0.1471% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 714 (2.63, 8.40, 123.79 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 5.6, residual support = 45.8:
          HG2   MET   96 - HN    PHE   97   3.52 +/- 0.33  99.972% * 99.4690% (0.73   5.60  45.77) = 100.000%  kept
          HB2   ASP-  62 - HN    PHE   97  14.44 +/- 0.40   0.024% *  0.1221% (0.25   0.02   0.02) =   0.000%
          HB2   PRO   52 - HN    PHE   97  19.27 +/- 1.13   0.005% *  0.4090% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 715 (2.38, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.19, residual support = 62.6:
      O   HB3   PHE   97 - HN    PHE   97   3.56 +/- 0.08  98.247% * 96.5070% (0.34   5.19  62.60) =  99.994%  kept
          HB    VAL  107 - HN    PHE   97   7.09 +/- 0.49   1.655% *  0.3031% (0.28   0.02   2.49) =   0.005%
          HB2   GLU- 100 - HN    PHE   97  12.08 +/- 0.41   0.066% *  0.6612% (0.61   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   97  15.93 +/- 0.80   0.013% *  0.9105% (0.84   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    PHE   97  15.57 +/- 0.24   0.014% *  0.5306% (0.49   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   97  18.22 +/- 0.47   0.006% *  1.0876% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 0.512, support = 5.28, residual support = 50.3:
          HB2   MET   96 - HN    PHE   97   4.13 +/- 0.09  80.357% * 35.2410% (0.31   6.07  45.77) =  69.785%  kept
          HB2   ASP- 105 - HN    PHE   97   5.24 +/- 0.15  19.366% * 63.3070% (0.98   3.44  60.61) =  30.213%  kept
          HG2   GLU- 100 - HN    PHE   97  13.01 +/- 0.37   0.084% *  0.2873% (0.76   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    PHE   97  12.24 +/- 0.62   0.125% *  0.1546% (0.41   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    PHE   97  15.45 +/- 1.26   0.036% *  0.3371% (0.90   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    PHE   97  17.89 +/- 0.45   0.012% *  0.3140% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   97  19.07 +/- 0.59   0.009% *  0.3010% (0.80   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   97  18.41 +/- 0.66   0.010% *  0.0580% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 717 (1.90, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.154, support = 6.07, residual support = 45.8:
          HB3   MET   96 - HN    PHE   97   4.44 +/- 0.09  99.542% * 91.3871% (0.15   6.07  45.77) =  99.994%  kept
          HB2   MET   92 - HN    PHE   97  13.74 +/- 0.66   0.119% *  1.6916% (0.87   0.02   0.02) =   0.002%
          HB3   GLN   30 - HN    PHE   97  14.07 +/- 0.58   0.102% *  1.4161% (0.73   0.02   0.02) =   0.002%
          HB3   LYS+  38 - HN    PHE   97  14.47 +/- 0.64   0.087% *  1.0260% (0.53   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    PHE   97  13.90 +/- 0.47   0.110% *  0.7319% (0.38   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    PHE   97  16.95 +/- 0.24   0.033% *  1.9115% (0.98   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    PHE   97  22.70 +/- 1.21   0.006% *  0.7319% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   97  30.36 +/- 2.84   0.001% *  1.1041% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.10 A, kept.
 
    Peak 718 (1.00, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.619, support = 1.68, residual support = 1.96:
          QG2   ILE  103 - HN    PHE   97   3.35 +/- 0.21  89.943% * 54.5063% (0.61   1.73   1.99) =  92.290%  kept
          QD2   LEU   40 - HN    PHE   97   4.93 +/- 0.24   9.517% * 42.9969% (0.76   1.09   1.53) =   7.703%  kept
          QD1   LEU   67 - HN    PHE   97   8.70 +/- 1.16   0.382% *  0.7529% (0.73   0.02   0.02) =   0.005%
          HB    VAL   75 - HN    PHE   97  11.18 +/- 0.70   0.075% *  0.9808% (0.95   0.02   0.02) =   0.001%
          QD1   ILE  119 - HN    PHE   97  11.24 +/- 0.46   0.071% *  0.2585% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    PHE   97  14.86 +/- 0.53   0.013% *  0.5047% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.27 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   3.45 +/- 0.09  99.952% * 95.7142% (0.24   4.00  11.99) = 100.000%  kept
          HB3   TRP   87 - HN    MET   96  14.41 +/- 0.41   0.019% *  1.0876% (0.54   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    MET   96  16.06 +/- 0.32   0.010% *  0.9351% (0.46   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    MET   96  14.71 +/- 0.39   0.017% *  0.3802% (0.19   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    MET   96  20.81 +/- 0.56   0.002% *  1.8830% (0.93   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 720 (2.21, 9.32, 123.66 ppm):
    8 chemical-shift based assignments, quality = 0.944, support = 4.06, residual support = 115.5:
      O   HB2   MET   96 - HN    MET   96   2.69 +/- 0.14  99.812% * 98.0861% (0.94   4.06 115.53) = 100.000%  kept
          HB2   ASP- 105 - HN    MET   96   8.10 +/- 0.22   0.139% *  0.2171% (0.42   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    MET   96  11.14 +/- 0.32   0.020% *  0.3516% (0.69   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    MET   96  13.76 +/- 0.50   0.006% *  0.3326% (0.65   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    MET   96  14.53 +/- 0.55   0.004% *  0.3132% (0.61   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    MET   96  12.60 +/- 1.24   0.016% *  0.0747% (0.15   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    MET   96  16.10 +/- 0.43   0.002% *  0.3700% (0.72   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    MET   96  19.96 +/- 0.46   0.001% *  0.2547% (0.50   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 721 (1.94, 9.32, 123.66 ppm):
    7 chemical-shift based assignments, quality = 0.574, support = 3.97, residual support = 115.5:
      O   HB3   MET   96 - HN    MET   96   2.71 +/- 0.15  99.910% * 97.5401% (0.57   3.97 115.53) = 100.000%  kept
          HB    VAL   18 - HN    MET   96  10.00 +/- 0.75   0.046% *  0.4265% (0.50   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    MET   96  11.24 +/- 0.34   0.021% *  0.7668% (0.89   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    MET   96  11.41 +/- 0.42   0.020% *  0.2254% (0.26   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    MET   96  16.84 +/- 0.42   0.002% *  0.6491% (0.76   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   96  20.64 +/- 1.27   0.001% *  0.2502% (0.29   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   96  29.02 +/- 2.55   0.000% *  0.1420% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.65 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   3.68 +/- 0.22  99.384% * 76.2797% (0.19   1.50  16.41) =  99.977%  kept
          HB2   LEU   71 - HN    MET   96  11.34 +/- 0.35   0.125% *  4.4580% (0.82   0.02   0.02) =   0.007%
          HG2   PRO   93 - HN    MET   96  11.03 +/- 0.38   0.156% *  2.5016% (0.46   0.02   0.02) =   0.005%
          QB    LYS+ 102 - HN    MET   96  12.25 +/- 0.26   0.080% *  3.7319% (0.69   0.02   0.02) =   0.004%
          HB2   LYS+  99 - HN    MET   96  11.62 +/- 0.62   0.119% *  1.4289% (0.26   0.02   0.02) =   0.002%
          QB    LYS+  65 - HN    MET   96  13.89 +/- 0.24   0.036% *  4.2927% (0.79   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    MET   96  12.28 +/- 0.45   0.078% *  1.2815% (0.24   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    MET   96  16.01 +/- 0.40   0.016% *  4.7442% (0.87   0.02   0.02) =   0.001%
          QD    LYS+  81 - HN    MET   96  18.75 +/- 0.65   0.006% *  1.2815% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 1 structures by 0.03 A, kept.
 
    Peak 723 (1.19, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.848, support = 1.37, residual support = 1.52:
          QG2   THR   94 - HN    MET   96   4.22 +/- 0.13  99.577% * 94.9064% (0.85   1.37   1.52) =  99.995%  kept
          HB3   LEU   71 - HN    MET   96  12.26 +/- 0.53   0.176% *  1.4627% (0.89   0.02   0.02) =   0.003%
          HB3   LYS+ 112 - HN    MET   96  15.61 +/- 0.49   0.041% *  1.3412% (0.82   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HN    MET   96  15.93 +/- 0.46   0.036% *  1.5156% (0.93   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    MET   96  13.35 +/- 0.30   0.101% *  0.4299% (0.26   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    MET   96  14.25 +/- 0.42   0.070% *  0.3442% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 724 (0.75, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.757, support = 2.96, residual support = 16.4:
          QG1   VAL   43 - HN    MET   96   4.39 +/- 0.60  91.530% * 96.6032% (0.76   2.96  16.41) =  99.938%  kept
          QG2   THR   46 - HN    MET   96   8.41 +/- 0.40   2.240% *  0.8141% (0.94   0.02   0.02) =   0.021%
          QG1   VAL   41 - HN    MET   96   7.96 +/- 0.60   3.593% *  0.4949% (0.57   0.02   0.02) =   0.020%
          QG2   VAL   18 - HN    MET   96   9.05 +/- 0.71   1.690% *  0.7874% (0.91   0.02   0.02) =   0.015%
          QD2   LEU  104 - HN    MET   96  10.01 +/- 0.11   0.747% *  0.5925% (0.69   0.02   0.02) =   0.005%
          QD1   ILE   19 - HN    MET   96  12.48 +/- 0.25   0.200% *  0.7078% (0.82   0.02   0.02) =   0.002%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 725 (0.58, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.705, support = 0.0191, residual support = 0.0459:
          QD1   LEU   63 - HN    MET   96   5.93 +/- 0.28  37.234% * 19.4267% (0.85   0.02   0.02) =  58.713%  kept
          QD1   LEU   73 - HN    MET   96   7.84 +/- 0.45   7.388% * 19.4267% (0.85   0.02   0.02) =  11.650%  kept
          QD2   LEU   63 - HN    MET   96   7.96 +/- 0.41   6.434% * 18.0932% (0.79   0.02   0.02) =   9.449%  kept
          QG2   VAL   41 - HN    MET   96   6.72 +/- 0.40  18.786% *  6.0227% (0.26   0.02   0.02) =   9.184%  kept
          QD2   LEU   98 - HN    MET   96   6.58 +/- 0.82  24.420% *  3.3423% (0.15   0.02   0.42) =   6.625%  kept
          QD2   LEU  115 - HN    MET   96   9.46 +/- 0.51   2.309% * 12.2638% (0.54   0.02   0.02) =   2.299%
          QD1   LEU  104 - HN    MET   96   9.47 +/- 0.28   2.232% *  6.6858% (0.29   0.02   0.02) =   1.211%
          QD2   LEU   80 - HN    MET   96  11.20 +/- 0.42   0.833% * 11.3966% (0.50   0.02   0.02) =   0.771%
          QD1   LEU   80 - HN    MET   96  13.01 +/- 0.86   0.364% *  3.3423% (0.15   0.02   0.02) =   0.099%
    Distance limit 4.63 A violated in 15 structures by 0.42 A, eliminated.
    Peak unassigned.
 
    Peak 726 (0.10, 9.32, 123.66 ppm):
    3 chemical-shift based assignments, quality = 0.539, support = 0.02, residual support = 0.02:
          QD1   ILE   89 - HN    MET   96   9.86 +/- 0.35  26.253% * 55.1266% (0.72   0.02   0.02) =  52.354%  kept
          QG2   VAL   83 - HN    MET   96  10.05 +/- 0.43  23.557% * 35.1112% (0.46   0.02   0.02) =  29.921%  kept
          QD2   LEU   31 - HN    MET   96   8.82 +/- 0.41  50.191% *  9.7622% (0.13   0.02   0.02) =  17.725%  kept
    Distance limit 4.46 A violated in 20 structures by 3.39 A, eliminated.
    Peak unassigned.
 
    Peak 727 (3.21, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 3.87, residual support = 73.5:
      O   HB2   PHE   95 - HN    PHE   95   2.29 +/- 0.09 100.000% *100.0000% (0.87   3.87  73.53) = 100.000%  kept
    Distance limit 4.02 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   3.52 +/- 0.07  99.934% * 99.3268% (0.98   4.20  73.53) = 100.000%  kept
          HG2   GLN  116 - HN    PHE   95  12.02 +/- 0.41   0.065% *  0.4567% (0.95   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    PHE   95  24.38 +/- 0.56   0.001% *  0.2165% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 40.7:
          HB    VAL  107 - HN    PHE   95   2.32 +/- 0.80  99.432% * 98.3872% (0.99   3.24  40.66) =  99.998%  kept
          HB3   PHE   45 - HN    PHE   95   7.78 +/- 0.27   0.430% *  0.4206% (0.69   0.02   1.89) =   0.002%
          QE    LYS+ 112 - HN    PHE   95  10.02 +/- 0.49   0.131% *  0.4206% (0.69   0.02   0.02) =   0.001%
          QG    GLU-  79 - HN    PHE   95  16.47 +/- 0.51   0.004% *  0.2298% (0.38   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   95  19.76 +/- 0.88   0.001% *  0.4206% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   95  23.82 +/- 0.54   0.000% *  0.1212% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 1 structures by 0.02 A, kept.
 
    Peak 730 (1.18, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.848, support = 4.01, residual support = 15.0:
          QG2   THR   94 - HN    PHE   95   2.09 +/- 0.08  87.303% * 82.1225% (0.87   4.02  14.26) =  97.123%  kept
          QG2   VAL  107 - HN    PHE   95   3.07 +/- 0.40  12.681% * 16.7472% (0.20   3.60  40.66) =   2.877%  kept
          HG13  ILE  103 - HN    PHE   95   9.41 +/- 0.43   0.011% *  0.2855% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HN    PHE   95  11.97 +/- 0.49   0.003% *  0.4221% (0.90   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HN    PHE   95  12.79 +/- 0.48   0.002% *  0.2291% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    PHE   95  16.43 +/- 0.53   0.000% *  0.1935% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.60 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   2.71 +/- 0.10  99.922% * 93.8033% (0.65   3.08  25.32) = 100.000%  kept
          QB    SER   48 - HN    THR   94  11.64 +/- 0.35   0.017% *  0.7197% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    THR   94  10.88 +/- 1.23   0.033% *  0.3212% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR   94  12.79 +/- 0.49   0.010% *  0.4584% (0.49   0.02   0.02) =   0.000%
          QB    SER   85 - HN    THR   94  15.61 +/- 0.23   0.003% *  0.9089% (0.97   0.02   0.02) =   0.000%
          QB    SER  117 - HN    THR   94  13.25 +/- 0.30   0.008% *  0.2348% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    THR   94  18.11 +/- 0.41   0.001% *  0.8694% (0.92   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    THR   94  18.20 +/- 0.33   0.001% *  0.8909% (0.95   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    THR   94  17.43 +/- 0.27   0.001% *  0.5332% (0.57   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    THR   94  14.81 +/- 0.57   0.004% *  0.1649% (0.18   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    THR   94  20.55 +/- 0.53   0.001% *  0.9089% (0.97   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    THR   94  21.01 +/- 0.46   0.000% *  0.1864% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 732 (3.06, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 27.2:
          HB2   PHE   45 - HN    THR   94   2.61 +/- 0.40  99.959% * 98.8926% (0.95   2.96  27.20) = 100.000%  kept
          QE    LYS+ 111 - HN    THR   94  10.65 +/- 0.42   0.028% *  0.7071% (1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    THR   94  12.19 +/- 0.40   0.012% *  0.4003% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 733 (2.44, 8.03, 115.19 ppm):
    8 chemical-shift based assignments, quality = 0.566, support = 1.5, residual support = 27.2:
          HB3   PHE   45 - HN    THR   94   4.02 +/- 0.37  91.092% * 91.6934% (0.57   1.50  27.20) =  99.949%  kept
          HB    VAL  107 - HN    THR   94   6.36 +/- 0.77   7.973% *  0.4274% (0.20   0.02   0.02) =   0.041%
          QE    LYS+ 112 - HN    THR   94  10.79 +/- 0.64   0.302% *  1.2226% (0.57   0.02   0.02) =   0.004%
          HG3   MET   96 - HN    THR   94   9.54 +/- 0.27   0.548% *  0.6004% (0.28   0.02   1.52) =   0.004%
          HB3   ASP-  62 - HN    THR   94  14.21 +/- 0.43   0.053% *  1.4833% (0.69   0.02   0.02) =   0.001%
          HB3   ASP-  86 - HN    THR   94  15.87 +/- 0.53   0.027% *  2.1403% (0.99   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HN    THR   94  22.78 +/- 0.42   0.003% *  2.1403% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    THR   94  24.61 +/- 1.36   0.002% *  0.2922% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 734 (2.06, 8.03, 115.19 ppm):
    11 chemical-shift based assignments, quality = 0.98, support = 4.39, residual support = 15.5:
      O   HB2   PRO   93 - HN    THR   94   4.18 +/- 0.14  97.112% * 97.8365% (0.98   4.39  15.48) =  99.993%  kept
          HG3   PRO   52 - HN    THR   94   8.68 +/- 1.11   1.644% *  0.1870% (0.41   0.02   0.02) =   0.003%
          HB    VAL  108 - HN    THR   94   9.28 +/- 0.40   0.836% *  0.3125% (0.69   0.02   0.02) =   0.003%
          HB2   ARG+  54 - HN    THR   94  13.10 +/- 0.68   0.113% *  0.3476% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    THR   94  11.98 +/- 0.64   0.194% *  0.1870% (0.41   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   94  14.84 +/- 0.49   0.051% *  0.2039% (0.45   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    THR   94  16.60 +/- 0.61   0.026% *  0.2039% (0.45   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    THR   94  17.74 +/- 0.68   0.017% *  0.0900% (0.20   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   94  22.72 +/- 0.20   0.004% *  0.1707% (0.38   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    THR   94  24.28 +/- 1.81   0.003% *  0.2214% (0.49   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    THR   94  32.38 +/- 2.64   0.001% *  0.2393% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 0.878, support = 2.69, residual support = 14.8:
      O   HB3   PRO   93 - HN    THR   94   3.92 +/- 0.19  87.162% * 70.2520% (0.90   2.74  15.48) =  95.468%  kept
          HB3   ASP-  44 - HN    THR   94   5.60 +/- 0.32  11.495% * 25.2443% (0.49   1.81   0.02) =   4.524%  kept
          HG3   LYS+ 106 - HN    THR   94   9.87 +/- 0.73   0.391% *  0.4966% (0.87   0.02   0.02) =   0.003%
          QB    ALA   84 - HN    THR   94  10.46 +/- 0.26   0.243% *  0.4966% (0.87   0.02   0.02) =   0.002%
          HB    VAL   42 - HN    THR   94  11.45 +/- 0.22   0.145% *  0.3241% (0.57   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    THR   94  12.28 +/- 0.46   0.098% *  0.4375% (0.76   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    THR   94  11.95 +/- 0.35   0.112% *  0.3704% (0.65   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    THR   94  12.97 +/- 1.29   0.077% *  0.4375% (0.76   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    THR   94  11.42 +/- 0.24   0.150% *  0.2149% (0.38   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    THR   94  12.59 +/- 0.56   0.087% *  0.1592% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    THR   94  17.47 +/- 0.56   0.012% *  0.3241% (0.57   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    THR   94  18.67 +/- 0.58   0.008% *  0.3704% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    THR   94  20.55 +/- 0.59   0.004% *  0.3933% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    THR   94  20.72 +/- 0.56   0.004% *  0.2787% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   94  17.64 +/- 0.45   0.011% *  0.1003% (0.18   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR   94  24.48 +/- 1.77   0.002% *  0.1003% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 736 (1.21, 8.03, 115.19 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 3.52, residual support = 25.3:
          QG2   THR   94 - HN    THR   94   3.76 +/- 0.06  99.438% * 94.3571% (0.34   3.52  25.32) =  99.993%  kept
          HG3   LYS+ 111 - HN    THR   94   9.93 +/- 0.41   0.301% *  1.3132% (0.84   0.02   0.02) =   0.004%
          HG12  ILE   89 - HN    THR   94  11.34 +/- 0.30   0.134% *  1.2015% (0.76   0.02   0.02) =   0.002%
          HD2   LYS+ 112 - HN    THR   94  13.51 +/- 0.54   0.048% *  1.1416% (0.73   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HN    THR   94  13.11 +/- 0.63   0.058% *  0.4852% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    THR   94  17.30 +/- 0.71   0.011% *  1.2589% (0.80   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    THR   94  17.75 +/- 0.94   0.009% *  0.2426% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 0.88, support = 0.0196, residual support = 0.0196:
          QG2   ILE   89 - HN    THR   94   6.77 +/- 0.30  94.229% * 76.3346% (0.90   0.02   0.02) =  98.137%  kept
          QG1   VAL   83 - HN    THR   94  11.04 +/- 0.63   5.771% * 23.6654% (0.28   0.02   0.02) =   1.863%
    Distance limit 4.56 A violated in 20 structures by 2.21 A, eliminated.
    Peak unassigned.
 
    Peak 738 (2.27, 8.46, 118.59 ppm):
    9 chemical-shift based assignments, quality = 0.164, support = 3.92, residual support = 61.2:
          HG3   MET   92 - HN    MET   92   3.74 +/- 0.37  96.600% * 40.3551% (0.14   4.04  63.65) =  96.125%  kept
          QG    GLN   90 - HN    MET   92   7.17 +/- 0.62   3.023% * 51.8002% (0.87   0.81   0.02) =   3.862%  kept
          HB2   ASP-  44 - HN    MET   92  10.57 +/- 1.47   0.343% *  1.4458% (0.98   0.02   0.02) =   0.012%
          HB3   PHE   72 - HN    MET   92  17.13 +/- 1.68   0.016% *  1.3616% (0.92   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    MET   92  17.73 +/- 0.44   0.010% *  0.7760% (0.53   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   92  23.20 +/- 2.17   0.003% *  1.4750% (1.00   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    MET   92  24.43 +/- 1.75   0.002% *  1.4234% (0.97   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    MET   92  22.24 +/- 2.05   0.003% *  0.2919% (0.20   0.02   0.02) =   0.000%
          QB    MET   11 - HN    MET   92  32.22 +/- 2.62   0.000% *  1.0710% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 739 (1.89, 8.46, 118.59 ppm):
    11 chemical-shift based assignments, quality = 0.998, support = 3.94, residual support = 63.6:
      O   HB2   MET   92 - HN    MET   92   2.51 +/- 0.33  99.430% * 97.6996% (1.00   3.94  63.65) =  99.999%  kept
          HB3   GLN   90 - HN    MET   92   6.60 +/- 0.54   0.495% *  0.0871% (0.18   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    MET   92   9.45 +/- 0.61   0.053% *  0.3218% (0.65   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    MET   92  11.70 +/- 0.55   0.011% *  0.1240% (0.25   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    MET   92  13.29 +/- 1.39   0.008% *  0.1107% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   92  17.10 +/- 0.77   0.001% *  0.4800% (0.97   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   92  18.97 +/- 1.71   0.001% *  0.4705% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   92  27.44 +/- 1.11   0.000% *  0.3983% (0.80   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    MET   92  21.44 +/- 1.34   0.000% *  0.0673% (0.14   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   92  26.92 +/- 2.15   0.000% *  0.0871% (0.18   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   92  35.98 +/- 3.33   0.000% *  0.1535% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 4.23, residual support = 63.6:
      O   HB3   MET   92 - HN    MET   92   3.62 +/- 0.23  90.253% * 95.9366% (0.57   4.23  63.65) =  99.978%  kept
          HG3   PRO   93 - HN    MET   92   5.92 +/- 0.67   6.735% *  0.1584% (0.20   0.02   1.41) =   0.012%
          HB    ILE   89 - HN    MET   92   7.43 +/- 1.47   2.440% *  0.1996% (0.25   0.02   0.02) =   0.006%
          QG1   ILE   56 - HN    MET   92   9.02 +/- 0.24   0.405% *  0.6118% (0.76   0.02   0.02) =   0.003%
          QD    LYS+ 106 - HN    MET   92  11.72 +/- 0.72   0.087% *  0.7180% (0.90   0.02   0.02) =   0.001%
          HB2   LEU   73 - HN    MET   92  14.17 +/- 1.61   0.036% *  0.5814% (0.73   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    MET   92  13.97 +/- 1.74   0.039% *  0.3589% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    MET   92  21.62 +/- 0.54   0.002% *  0.7390% (0.92   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    MET   92  22.72 +/- 0.76   0.002% *  0.5179% (0.65   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    MET   92  25.01 +/- 0.37   0.001% *  0.1782% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 741 (1.25, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 3.55, residual support = 14.2:
          QB    ALA   91 - HN    MET   92   3.04 +/- 0.57  98.783% * 96.7019% (1.00   3.55  14.21) =  99.995%  kept
          QG2   ILE   56 - HN    MET   92   7.34 +/- 0.68   1.027% *  0.3748% (0.69   0.02   0.02) =   0.004%
          HG2   LYS+  74 - HN    MET   92  10.75 +/- 2.12   0.167% *  0.3530% (0.65   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    MET   92  15.42 +/- 1.72   0.013% *  0.1080% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    MET   92  17.69 +/- 0.89   0.004% *  0.2656% (0.49   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    MET   92  20.28 +/- 1.84   0.002% *  0.4733% (0.87   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    MET   92  20.57 +/- 0.94   0.002% *  0.5444% (1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    MET   92  21.93 +/- 1.64   0.001% *  0.3309% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    MET   92  24.23 +/- 0.97   0.001% *  0.3748% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    MET   92  28.39 +/- 1.55   0.000% *  0.4733% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 742 (3.88, 7.72, 122.85 ppm):
    12 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 7.85:
          HA    ILE   89 - HN    ALA   91   3.93 +/- 0.41  98.813% * 96.1997% (0.61   2.49   7.85) =  99.999%  kept
          HB3   SER   82 - HN    TRP   27   8.68 +/- 0.36   1.039% *  0.0276% (0.02   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ALA   91  14.35 +/- 0.22   0.047% *  0.2232% (0.18   0.02   0.02) =   0.000%
          HB    THR  118 - HN    ALA   91  19.08 +/- 0.60   0.008% *  1.2057% (0.95   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    TRP   27  15.27 +/- 0.46   0.033% *  0.0955% (0.07   0.02   0.02) =   0.000%
          HB    THR   39 - HN    TRP   27  16.09 +/- 0.83   0.025% *  0.0706% (0.06   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    TRP   27  16.86 +/- 0.68   0.017% *  0.0955% (0.07   0.02   0.02) =   0.000%
          QB    SER   13 - HN    TRP   27  18.37 +/- 1.83   0.012% *  0.0647% (0.05   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ALA   91  27.84 +/- 1.14   0.001% *  0.7731% (0.61   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ALA   91  26.77 +/- 1.19   0.001% *  0.5714% (0.45   0.02   0.02) =   0.000%
          HB    THR  118 - HN    TRP   27  23.90 +/- 0.39   0.002% *  0.1490% (0.12   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ALA   91  29.55 +/- 0.76   0.001% *  0.5240% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.12 A, kept.
 
    Peak 743 (2.17, 7.72, 122.85 ppm):
    14 chemical-shift based assignments, quality = 0.726, support = 4.96, residual support = 33.4:
          HB2   GLN   90 - HN    ALA   91   3.89 +/- 0.43  68.416% * 98.1047% (0.73   4.96  33.38) =  99.986%  kept
          HG3   GLU-  29 - HN    TRP   27   5.63 +/- 0.60   8.240% *  0.0604% (0.11   0.02   0.02) =   0.007%
          HB2   GLU-  25 - HN    TRP   27   4.90 +/- 0.18  18.215% *  0.0133% (0.02   0.02   0.02) =   0.004%
          HB3   GLU-  29 - HN    TRP   27   6.35 +/- 0.34   4.411% *  0.0354% (0.07   0.02   0.02) =   0.002%
          HB3   GLU-  79 - HN    ALA   91  11.78 +/- 0.43   0.094% *  0.1079% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    TRP   27   8.74 +/- 0.40   0.555% *  0.0133% (0.02   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    TRP   27  12.98 +/- 0.19   0.052% *  0.0168% (0.03   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   91  23.80 +/- 0.72   0.001% *  0.4890% (0.90   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ALA   91  24.27 +/- 0.64   0.001% *  0.2869% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    TRP   27  19.25 +/- 1.10   0.005% *  0.0637% (0.12   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ALA   91  21.26 +/- 0.74   0.003% *  0.1079% (0.20   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    TRP   27  19.38 +/- 0.51   0.005% *  0.0489% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ALA   91  30.00 +/- 1.41   0.000% *  0.5158% (0.95   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    ALA   91  26.35 +/- 0.95   0.001% *  0.1360% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.04 A, kept.
 
    Peak 744 (1.86, 7.72, 122.85 ppm):
    28 chemical-shift based assignments, quality = 0.991, support = 4.96, residual support = 33.4:
          HB3   GLN   90 - HN    ALA   91   2.98 +/- 0.74  91.253% * 96.1664% (0.99   4.96  33.38) =  99.996%  kept
          HB2   MET   92 - HN    ALA   91   5.21 +/- 0.83   4.017% *  0.0604% (0.15   0.02  14.21) =   0.003%
          HB3   GLN   30 - HN    TRP   27   5.82 +/- 0.53   4.250% *  0.0121% (0.03   0.02   0.02) =   0.001%
          QB    LYS+  81 - HN    ALA   91  11.37 +/- 0.20   0.054% *  0.3779% (0.97   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   91  13.85 +/- 1.02   0.031% *  0.3704% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    TRP   27   9.30 +/- 0.61   0.226% *  0.0484% (0.12   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   91  12.53 +/- 0.48   0.029% *  0.2217% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ALA   91  11.04 +/- 1.34   0.048% *  0.0976% (0.25   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   91  15.39 +/- 1.06   0.008% *  0.3779% (0.97   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    TRP   27  11.16 +/- 0.36   0.058% *  0.0467% (0.12   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   91  20.22 +/- 1.41   0.003% *  0.3704% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   91  20.55 +/- 1.07   0.002% *  0.3838% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ALA   91  22.73 +/- 0.77   0.001% *  0.3916% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   91  20.19 +/- 0.81   0.002% *  0.0976% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    TRP   27  18.27 +/- 0.55   0.003% *  0.0458% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    TRP   27  19.58 +/- 0.50   0.002% *  0.0480% (0.12   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    TRP   27  19.88 +/- 0.69   0.002% *  0.0458% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   91  30.30 +/- 0.59   0.000% *  0.3615% (0.92   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    TRP   27  22.37 +/- 1.12   0.001% *  0.0467% (0.12   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    TRP   27  21.74 +/- 0.49   0.001% *  0.0474% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    TRP   27  19.39 +/- 0.78   0.002% *  0.0199% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   91  29.39 +/- 1.41   0.000% *  0.1610% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    TRP   27  23.30 +/- 0.40   0.001% *  0.0447% (0.11   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    TRP   27  21.66 +/- 0.66   0.001% *  0.0274% (0.07   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ALA   91  27.51 +/- 0.74   0.000% *  0.0976% (0.25   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    TRP   27  18.35 +/- 2.47   0.002% *  0.0075% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    TRP   27  23.86 +/- 0.93   0.001% *  0.0121% (0.03   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    TRP   27  28.09 +/- 0.73   0.000% *  0.0121% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.05 A, kept.
 
    Peak 745 (1.26, 7.72, 122.85 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 3.62, residual support = 14.4:
      O   QB    ALA   91 - HN    ALA   91   2.53 +/- 0.27  98.650% * 96.2085% (0.92   3.62  14.43) =  99.999%  kept
          QG2   THR   23 - HN    TRP   27   5.37 +/- 0.06   1.218% *  0.0293% (0.05   0.02   2.37) =   0.000%
          QG2   ILE   56 - HN    ALA   91   9.99 +/- 0.19   0.030% *  0.5320% (0.92   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    TRP   27   9.81 +/- 0.33   0.034% *  0.0544% (0.09   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   91  12.72 +/- 0.70   0.008% *  0.2163% (0.38   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    TRP   27  10.26 +/- 0.33   0.026% *  0.0432% (0.07   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   91  14.99 +/- 0.42   0.003% *  0.2369% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    TRP   27  11.75 +/- 0.43   0.011% *  0.0267% (0.05   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    TRP   27  12.08 +/- 1.32   0.011% *  0.0243% (0.04   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   91  19.15 +/- 0.90   0.001% *  0.4405% (0.76   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    TRP   27  14.41 +/- 0.69   0.003% *  0.0657% (0.11   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   91  22.51 +/- 0.94   0.000% *  0.5320% (0.92   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    TRP   27  16.16 +/- 0.49   0.002% *  0.0657% (0.11   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    TRP   27  16.27 +/- 0.32   0.002% *  0.0657% (0.11   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   91  22.08 +/- 0.45   0.000% *  0.3496% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    TRP   27  18.69 +/- 1.01   0.001% *  0.0711% (0.12   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   91  23.93 +/- 1.50   0.000% *  0.1966% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   91  30.14 +/- 1.66   0.000% *  0.5751% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   91  26.57 +/- 1.16   0.000% *  0.2369% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    TRP   27  19.72 +/- 1.40   0.001% *  0.0293% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 747 (2.48, 6.80, 112.00 ppm):
    8 chemical-shift based assignments, quality = 0.338, support = 0.0198, residual support = 0.0198:
          HG2   GLU-  36 - HE22  GLN   32   7.80 +/- 1.25  70.827% *  7.7282% (0.20   0.02   0.02) =  50.755%  kept
          HB3   TRP   87 - HE22  GLN   90   9.32 +/- 0.89  28.056% * 18.6359% (0.49   0.02   0.02) =  48.482%  kept
          HG3   MET   96 - HE22  GLN   32  18.20 +/- 1.41   0.639% *  4.5337% (0.12   0.02   0.02) =   0.269%
          HG3   MET   96 - HE22  GLN   90  21.06 +/- 0.89   0.223% * 11.8170% (0.31   0.02   0.02) =   0.244%
          HB3   TRP   87 - HE22  GLN   32  23.05 +/- 2.08   0.185% *  7.1499% (0.19   0.02   0.02) =   0.123%
          HG3   GLN  116 - HE22  GLN   90  27.92 +/- 1.60   0.046% * 21.6759% (0.57   0.02   0.02) =   0.093%
          HG2   GLU-  36 - HE22  GLN   90  33.32 +/- 1.91   0.015% * 20.1433% (0.53   0.02   0.02) =   0.028%
          HG3   GLN  116 - HE22  GLN   32  35.75 +/- 0.99   0.009% *  8.3162% (0.22   0.02   0.02) =   0.007%
    Distance limit 5.50 A violated in 20 structures by 1.79 A, eliminated.
    Peak unassigned.
 
    Peak 748 (4.63, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.175, support = 5.16, residual support = 159.2:
      O   HA    LYS+ 102 - HN    LYS+ 102   2.93 +/- 0.01  99.991% * 96.9740% (0.18   5.16 159.17) = 100.000%  kept
          HA    LEU   71 - HN    LYS+ 102  14.27 +/- 0.58   0.008% *  0.8830% (0.41   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LYS+ 102  20.42 +/- 0.84   0.001% *  2.1430% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 749 (4.15, 7.76, 120.90 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 3.13, residual support = 12.5:
      O   HA1   GLY  101 - HN    LYS+ 102   3.23 +/- 0.14  99.858% * 96.2276% (0.61   3.13  12.53) =  99.999%  kept
          HA    ALA   34 - HN    LYS+ 102  10.22 +/- 1.02   0.120% *  0.4166% (0.41   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    LYS+ 102  14.72 +/- 1.19   0.012% *  0.2527% (0.25   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+ 102  20.17 +/- 1.09   0.002% *  1.0043% (0.99   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+ 102  20.70 +/- 0.60   0.001% *  0.7744% (0.76   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+ 102  18.55 +/- 0.26   0.003% *  0.2817% (0.28   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+ 102  19.76 +/- 0.78   0.002% *  0.3127% (0.31   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+ 102  24.40 +/- 0.76   0.001% *  0.5737% (0.57   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    LYS+ 102  20.56 +/- 1.20   0.002% *  0.1563% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 750 (3.54, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 3.13, residual support = 12.5:
      O   HA2   GLY  101 - HN    LYS+ 102   3.41 +/- 0.26  99.993% * 97.9818% (0.28   3.13  12.53) = 100.000%  kept
          HB2   TRP   27 - HN    LYS+ 102  17.75 +/- 1.07   0.006% *  1.0091% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    LYS+ 102  22.86 +/- 0.43   0.001% *  1.0091% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 0.78, support = 0.02, residual support = 0.02:
          HB    ILE   19 - HN    LYS+ 102  16.97 +/- 0.80  21.006% * 11.0262% (0.76   0.02   0.02) =  23.292%  kept
          QB    GLU- 114 - HN    LYS+ 102  17.91 +/- 0.71  15.222% * 12.0512% (0.84   0.02   0.02) =  18.448%  kept
          QB    GLU-  15 - HN    LYS+ 102  18.83 +/- 1.62  12.425% * 13.6482% (0.95   0.02   0.02) =  17.053%  kept
          HG2   PRO   68 - HN    LYS+ 102  19.81 +/- 1.89  10.178% *  9.9106% (0.69   0.02   0.02) =  10.144%  kept
          HG3   GLN   30 - HN    LYS+ 102  16.95 +/- 1.07  21.392% *  3.5976% (0.25   0.02   0.02) =   7.739%  kept
          HB3   PRO   68 - HN    LYS+ 102  20.04 +/- 0.80   7.697% *  8.7509% (0.61   0.02   0.02) =   6.773%  kept
          HB2   LYS+ 111 - HN    LYS+ 102  22.05 +/- 0.70   4.419% * 12.9393% (0.90   0.02   0.02) =   5.750%  kept
          HB2   GLN   17 - HN    LYS+ 102  22.28 +/- 0.73   4.045% * 13.6482% (0.95   0.02   0.02) =   5.552%  kept
          HB3   GLU-  25 - HN    LYS+ 102  22.77 +/- 1.14   3.616% * 14.4279% (1.00   0.02   0.02) =   5.247%  kept
    Distance limit 4.47 A violated in 20 structures by 8.55 A, eliminated.
    Peak unassigned.
 
    Peak 752 (1.81, 7.76, 120.90 ppm):
    10 chemical-shift based assignments, quality = 0.98, support = 4.66, residual support = 159.2:
      O   QB    LYS+ 102 - HN    LYS+ 102   2.59 +/- 0.13  99.133% * 97.6581% (0.98   4.66 159.17) =  99.998%  kept
          HG12  ILE  103 - HN    LYS+ 102   5.97 +/- 0.26   0.718% *  0.1917% (0.45   0.02  22.42) =   0.001%
          HB    VAL   41 - HN    LYS+ 102   8.29 +/- 0.96   0.135% *  0.2594% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+ 102  12.00 +/- 0.74   0.011% *  0.3835% (0.90   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LYS+ 102  16.79 +/- 0.47   0.001% *  0.3424% (0.80   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LYS+ 102  20.06 +/- 0.37   0.000% *  0.3948% (0.92   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+ 102  23.04 +/- 0.42   0.000% *  0.4192% (0.98   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+ 102  19.43 +/- 0.72   0.001% *  0.0952% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+ 102  22.48 +/- 0.94   0.000% *  0.1605% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+ 102  26.51 +/- 1.24   0.000% *  0.0952% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 3.9, residual support = 117.3:
          HG2   LYS+ 102 - HN    LYS+ 102   3.43 +/- 0.32  61.032% * 59.2476% (0.28   4.41 159.17) =  73.448%  kept
          QB    LEU   98 - HN    LYS+ 102   3.82 +/- 0.62  38.909% * 33.5964% (0.28   2.50   1.65) =  26.552%  kept
          HD3   LYS+ 121 - HN    LYS+ 102  14.25 +/- 1.22   0.014% *  0.5469% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+ 102  14.59 +/- 0.71   0.010% *  0.7383% (0.76   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+ 102  13.02 +/- 0.89   0.021% *  0.3626% (0.38   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LYS+ 102  18.65 +/- 0.88   0.002% *  0.9639% (1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+ 102  19.79 +/- 1.61   0.002% *  0.9575% (0.99   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+ 102  19.79 +/- 0.39   0.002% *  0.9639% (1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+ 102  19.45 +/- 0.40   0.002% *  0.8664% (0.90   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+ 102  18.70 +/- 0.52   0.002% *  0.5469% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 102  20.77 +/- 1.13   0.001% *  0.7015% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 102  19.99 +/- 0.78   0.002% *  0.5082% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 754 (0.74, 7.76, 120.90 ppm):
    7 chemical-shift based assignments, quality = 0.592, support = 1.2, residual support = 0.868:
          QD2   LEU  104 - HN    LYS+ 102   4.03 +/- 0.15  65.072% * 27.9796% (0.95   0.20   0.21) =  54.113%  kept
          QD1   LEU   98 - HN    LYS+ 102   5.12 +/- 1.25  24.830% * 61.7596% (0.18   2.40   1.65) =  45.577%  kept
          QG1   VAL   41 - HN    LYS+ 102   5.73 +/- 0.69   9.572% *  1.0010% (0.34   0.02   0.02) =   0.285%
          QG1   VAL   43 - HN    LYS+ 102   9.31 +/- 0.75   0.489% *  1.5439% (0.53   0.02   0.02) =   0.022%
          QD1   ILE   19 - HN    LYS+ 102  16.05 +/- 0.76   0.016% *  2.9279% (1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LYS+ 102  16.62 +/- 0.80   0.013% *  2.2426% (0.76   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    LYS+ 102  18.24 +/- 0.54   0.008% *  2.5454% (0.87   0.02   0.02) =   0.001%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 755 (3.88, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.14, residual support = 37.5:
      O   HA    ILE   89 - HN    GLN   90   2.22 +/- 0.03  99.997% * 98.6290% (0.61   6.14  37.52) = 100.000%  kept
          HB3   SER   82 - HN    GLN   90  12.89 +/- 0.23   0.003% *  0.0928% (0.18   0.02   0.02) =   0.000%
          HB    THR  118 - HN    GLN   90  20.27 +/- 0.37   0.000% *  0.5013% (0.95   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   90  27.75 +/- 0.88   0.000% *  0.3214% (0.61   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   90  26.86 +/- 0.97   0.000% *  0.2376% (0.45   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   90  29.87 +/- 0.77   0.000% *  0.2179% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 756 (2.26, 8.62, 127.39 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 6.12, residual support = 95.2:
          QG    GLN   90 - HN    GLN   90   2.81 +/- 0.54  91.110% * 97.9636% (0.90   6.12  95.25) =  99.978%  kept
          HG3   MET   92 - HN    GLN   90   5.31 +/- 2.27   8.874% *  0.2166% (0.61   0.02   0.02) =   0.022%
          HB2   ASP-  44 - HN    GLN   90  14.15 +/- 0.46   0.011% *  0.2593% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLN   90  20.27 +/- 0.95   0.001% *  0.2982% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLN   90  22.47 +/- 0.41   0.001% *  0.3539% (0.99   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLN   90  22.22 +/- 0.57   0.001% *  0.2593% (0.73   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLN   90  20.64 +/- 0.62   0.001% *  0.0890% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLN   90  26.40 +/- 1.50   0.000% *  0.2729% (0.76   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    GLN   90  25.64 +/- 1.30   0.000% *  0.2166% (0.61   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLN   90  34.26 +/- 2.17   0.000% *  0.0707% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 5.68, residual support = 95.2:
      O   HB3   GLN   90 - HN    GLN   90   2.91 +/- 0.22  96.866% * 96.9127% (0.92   5.68  95.25) =  99.995%  kept
          HB2   MET   92 - HN    GLN   90   5.94 +/- 1.43   3.049% *  0.1387% (0.38   0.02   0.02) =   0.005%
          QB    LYS+  81 - HN    GLN   90  10.05 +/- 0.29   0.063% *  0.3566% (0.97   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    GLN   90  14.31 +/- 0.65   0.008% *  0.3622% (0.98   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   90  14.17 +/- 0.53   0.008% *  0.3205% (0.87   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   90  16.97 +/- 0.96   0.003% *  0.2683% (0.73   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   90  20.20 +/- 0.94   0.001% *  0.2538% (0.69   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    GLN   90  19.88 +/- 0.70   0.001% *  0.1944% (0.53   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   90  21.22 +/- 0.70   0.001% *  0.2824% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    GLN   90  22.49 +/- 0.64   0.000% *  0.3205% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   90  21.82 +/- 0.45   0.001% *  0.0823% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   90  29.29 +/- 1.10   0.000% *  0.2683% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   90  31.07 +/- 0.50   0.000% *  0.2391% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 759 (0.64, 8.62, 127.39 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 6.99, residual support = 37.5:
          QG2   ILE   89 - HN    GLN   90   2.77 +/- 0.30 100.000% *100.0000% (0.65   6.99  37.52) = 100.000%  kept
    Distance limit 3.88 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 = 5.56, residual support = 37.5:
          QD1   ILE   89 - HN    GLN   90   4.39 +/- 0.11  94.231% * 99.5195% (0.49   5.56  37.52) =  99.989%  kept
          QG2   VAL   83 - HN    GLN   90   7.21 +/- 0.35   5.039% *  0.1835% (0.25   0.02   0.02) =   0.010%
          QG2   VAL   75 - HN    GLN   90   9.98 +/- 0.38   0.699% *  0.1835% (0.25   0.02   0.02) =   0.001%
          QG2   VAL   42 - HN    GLN   90  16.81 +/- 0.82   0.031% *  0.1135% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.03 A, kept.
 
    Peak 761 (3.98, 7.91, 118.70 ppm):
    13 chemical-shift based assignments, quality = 0.991, support = 3.91, residual support = 5.6:
      O   HA    ALA   88 - HN    ILE   89   2.77 +/- 0.06  98.449% * 97.0186% (0.99   3.91   5.60) =  99.998%  kept
          QB    SER   85 - HN    ILE   89   5.58 +/- 0.03   1.482% *  0.1114% (0.22   0.02   0.02) =   0.002%
          HB2   SER   82 - HN    ILE   89   9.59 +/- 0.27   0.058% *  0.3237% (0.65   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   89  13.96 +/- 0.91   0.007% *  0.4828% (0.97   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ILE   89  16.29 +/- 1.10   0.003% *  0.4340% (0.87   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ILE   89  22.31 +/- 0.86   0.000% *  0.4904% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   89  21.04 +/- 0.65   0.001% *  0.2632% (0.53   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ILE   89  21.38 +/- 0.40   0.000% *  0.2833% (0.57   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   89  25.13 +/- 0.79   0.000% *  0.1878% (0.38   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ILE   89  28.21 +/- 0.41   0.000% *  0.1391% (0.28   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ILE   89  26.10 +/- 0.62   0.000% *  0.0772% (0.15   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   89  26.18 +/- 0.30   0.000% *  0.0772% (0.15   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ILE   89  29.11 +/- 0.39   0.000% *  0.1114% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 762 (3.89, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.92, residual support = 211.0:
      O   HA    ILE   89 - HN    ILE   89   2.82 +/- 0.01  99.999% * 98.3344% (0.34   5.92 211.03) = 100.000%  kept
          HB    THR  118 - HN    ILE   89  22.60 +/- 0.22   0.000% *  0.7071% (0.73   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    ILE   89  21.08 +/- 0.29   0.001% *  0.2168% (0.22   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE   89  26.70 +/- 0.88   0.000% *  0.3322% (0.34   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE   89  26.24 +/- 0.92   0.000% *  0.2168% (0.22   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE   89  29.84 +/- 1.09   0.000% *  0.1927% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 5.49, residual support = 211.0:
      O   HB    ILE   89 - HN    ILE   89   2.62 +/- 0.06  99.904% * 98.8869% (0.45   5.49 211.03) = 100.000%  kept
          QD    LYS+  81 - HN    ILE   89   8.68 +/- 0.71   0.092% *  0.3602% (0.45   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    ILE   89  14.17 +/- 0.54   0.004% *  0.4227% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ILE   89  25.11 +/- 0.67   0.000% *  0.3303% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 764 (1.23, 7.91, 118.70 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.63, residual support = 211.0:
          HG12  ILE   89 - HN    ILE   89   1.92 +/- 0.02  99.968% * 97.8666% (0.76   5.63 211.03) = 100.000%  kept
          QB    ALA   91 - HN    ILE   89   7.61 +/- 0.71   0.031% *  0.1405% (0.31   0.02   7.85) =   0.000%
          HG2   LYS+  74 - HN    ILE   89  14.52 +/- 0.69   0.001% *  0.3949% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   89  19.28 +/- 0.58   0.000% *  0.3127% (0.69   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   89  22.03 +/- 0.41   0.000% *  0.2945% (0.65   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   89  23.54 +/- 1.44   0.000% *  0.4083% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   89  26.40 +/- 0.84   0.000% *  0.3803% (0.84   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   89  22.43 +/- 0.77   0.000% *  0.1405% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   89  28.57 +/- 1.28   0.000% *  0.0616% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 765 (0.63, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.23, residual support = 211.0:
          QG2   ILE   89 - HN    ILE   89   3.70 +/- 0.01  95.967% * 99.7822% (1.00   6.23 211.03) =  99.993%  kept
          QG1   VAL   83 - HN    ILE   89   6.70 +/- 0.68   4.030% *  0.1684% (0.53   0.02   0.14) =   0.007%
          QD1   LEU  104 - HN    ILE   89  21.52 +/- 0.43   0.003% *  0.0494% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 5.44, residual support = 211.0:
          HG13  ILE   89 - HN    ILE   89   2.64 +/- 0.21 100.000% *100.0000% (0.90   5.44 211.03) = 100.000%  kept
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 768 (3.99, 7.82, 121.71 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 1.63, residual support = 10.6:
      O   HA    ALA   88 - HN    ALA   88   2.28 +/- 0.02  99.982% * 91.6032% (0.84   1.63  10.64) = 100.000%  kept
          HB2   SER   82 - HN    ALA   88   9.78 +/- 0.36   0.017% *  1.2050% (0.90   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   88  16.83 +/- 0.94   0.001% *  1.3170% (0.98   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   88  19.00 +/- 1.06   0.000% *  0.8149% (0.61   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ALA   88  22.24 +/- 0.61   0.000% *  1.0759% (0.80   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA   88  23.44 +/- 0.86   0.000% *  1.0759% (0.80   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   88  24.13 +/- 0.34   0.000% *  1.1223% (0.84   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ALA   88  26.64 +/- 0.76   0.000% *  0.8692% (0.65   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   88  28.41 +/- 0.57   0.000% *  0.4583% (0.34   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   88  28.90 +/- 0.29   0.000% *  0.4583% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 769 (1.33, 7.82, 121.71 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 1.81, residual support = 10.6:
      O   QB    ALA   88 - HN    ALA   88   2.54 +/- 0.04  98.225% * 91.0781% (0.73   1.81  10.64) =  99.995%  kept
          QB    ALA   84 - HN    ALA   88   5.01 +/- 0.05   1.696% *  0.2137% (0.15   0.02   0.02) =   0.004%
          QG2   THR   77 - HN    ALA   88   8.71 +/- 0.23   0.062% *  0.4725% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA   88  11.15 +/- 0.62   0.015% *  0.9516% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   88  19.47 +/- 0.76   0.001% *  1.1571% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   88  21.56 +/- 0.57   0.000% *  1.2424% (0.90   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   88  19.16 +/- 0.27   0.001% *  0.6211% (0.45   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   88  20.75 +/- 1.15   0.000% *  0.3084% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   88  25.57 +/- 0.32   0.000% *  0.7843% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   88  28.34 +/- 0.68   0.000% *  1.3853% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ALA   88  29.37 +/- 0.84   0.000% *  1.3579% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   88  30.03 +/- 0.79   0.000% *  0.4276% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 69.8:
      O   HB2   TRP   87 - HN    TRP   87   3.87 +/- 0.02  99.970% * 99.1873% (0.73   3.84  69.76) = 100.000%  kept
          HB    THR   46 - HN    TRP   87  15.42 +/- 0.31   0.025% *  0.2427% (0.34   0.02   0.02) =   0.000%
          HB2   PHE   60 - HN    TRP   87  20.95 +/- 0.39   0.004% *  0.4603% (0.65   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    TRP   87  28.40 +/- 0.50   0.001% *  0.1098% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.02 A, kept.
 
    Peak 771 (2.93, 7.69, 117.92 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.91, residual support = 22.4:
          HB2   ASP-  86 - HN    TRP   87   2.86 +/- 0.12  99.967% * 97.4641% (0.80   3.91  22.41) = 100.000%  kept
          HB2   ASP-  78 - HN    TRP   87  12.48 +/- 0.27   0.015% *  0.3275% (0.53   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    TRP   87  15.88 +/- 0.83   0.004% *  0.6225% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    TRP   87  12.82 +/- 0.28   0.013% *  0.0960% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    TRP   87  21.75 +/- 1.13   0.001% *  0.6101% (0.98   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    TRP   87  21.18 +/- 1.01   0.001% *  0.2791% (0.45   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    TRP   87  27.39 +/- 0.80   0.000% *  0.6007% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.50, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.37, residual support = 69.8:
      O   HB3   TRP   87 - HN    TRP   87   3.24 +/- 0.04  99.995% * 99.1360% (1.00   3.37  69.76) = 100.000%  kept
          HG2   GLU-  25 - HN    TRP   87  17.02 +/- 1.06   0.005% *  0.2867% (0.49   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    TRP   87  29.03 +/- 0.45   0.000% *  0.5773% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.02 A, kept.
 
    Peak 773 (1.30, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 2.25, residual support = 5.18:
          QB    ALA   88 - HN    TRP   87   4.49 +/- 0.05  96.538% * 96.7042% (0.53   2.26   5.19) =  99.948%  kept
          QG2   THR   77 - HN    TRP   87   7.93 +/- 0.19   3.216% *  1.4614% (0.90   0.02   0.02) =   0.050%
          QG2   THR   23 - HN    TRP   87  12.54 +/- 0.55   0.214% *  0.8573% (0.53   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    TRP   87  17.65 +/- 0.64   0.027% *  0.3628% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    TRP   87  26.95 +/- 0.86   0.002% *  0.3628% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    TRP   87  26.04 +/- 0.64   0.003% *  0.2514% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.02 A, kept.
 
    Peak 774 (0.08, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.789, support = 2.23, residual support = 19.1:
          QD1   ILE   89 - HN    TRP   87   3.95 +/- 0.06  63.714% * 79.8586% (0.76   2.48  19.88) =  87.855%  kept
          QG2   VAL   83 - HN    TRP   87   4.37 +/- 0.29  36.236% * 19.4092% (0.97   0.48  13.65) =  12.144%  kept
          QD2   LEU   31 - HN    TRP   87  13.12 +/- 0.58   0.049% *  0.7322% (0.87   0.02   0.02) =   0.001%
    Distance limit 4.25 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 = 0.515, support = 1.03, residual support = 15.1:
          QG2   VAL   83 - HE1   TRP   87   2.21 +/- 0.72  91.010% * 23.9268% (0.45   0.83  13.65) =  76.100%  kept
          QD1   ILE   89 - HE1   TRP   87   3.82 +/- 0.09   8.990% * 76.0732% (0.73   1.64  19.88) =  23.900%  kept
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (3.97, 8.31, 124.24 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.33, residual support = 13.4:
          QB    SER   85 - HN    ASP-  86   3.06 +/- 0.02  93.600% * 96.0037% (0.76   3.33  13.42) =  99.972%  kept
          HA    ALA   88 - HN    ASP-  86   5.09 +/- 0.02   4.427% *  0.5179% (0.69   0.02   0.02) =   0.026%
          HB2   SER   82 - HN    ASP-  86   5.96 +/- 0.45   1.947% *  0.1163% (0.15   0.02   0.02) =   0.003%
          QB    SER   48 - HN    ASP-  86  13.90 +/- 0.89   0.012% *  0.1679% (0.22   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASP-  86  16.66 +/- 0.87   0.004% *  0.3380% (0.45   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ASP-  86  14.39 +/- 0.42   0.009% *  0.1163% (0.15   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASP-  86  20.34 +/- 1.12   0.001% *  0.6762% (0.90   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ASP-  86  20.14 +/- 0.64   0.001% *  0.5475% (0.73   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ASP-  86  29.46 +/- 0.40   0.000% *  0.6298% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ASP-  86  29.72 +/- 0.39   0.000% *  0.5762% (0.76   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ASP-  86  32.20 +/- 0.36   0.000% *  0.3100% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.45 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   3.13 +/- 0.09  99.994% * 95.3192% (0.61   2.25  10.83) = 100.000%  kept
          HB2   CYS   53 - HN    ASP-  86  19.17 +/- 0.78   0.002% *  1.3481% (0.97   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  86  19.74 +/- 0.53   0.002% *  0.8473% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  86  19.61 +/- 0.84   0.002% *  0.7350% (0.53   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    ASP-  86  24.70 +/- 0.42   0.000% *  0.9596% (0.69   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  86  25.28 +/- 0.56   0.000% *  0.7909% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 778 (2.93, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 41.6:
      O   HB2   ASP-  86 - HN    ASP-  86   2.57 +/- 0.34  99.983% * 98.5192% (0.98   5.00  41.59) = 100.000%  kept
          HB2   ASN   28 - HN    ASP-  86  14.33 +/- 0.64   0.005% *  0.3607% (0.90   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASP-  86  12.21 +/- 0.24   0.011% *  0.1118% (0.28   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  86  20.86 +/- 1.17   0.000% *  0.3220% (0.80   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASP-  86  20.56 +/- 0.71   0.000% *  0.2920% (0.73   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  86  27.55 +/- 0.87   0.000% *  0.3942% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 779 (2.46, 8.31, 124.24 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.56, residual support = 41.6:
      O   HB3   ASP-  86 - HN    ASP-  86   2.56 +/- 0.50  99.996% * 96.0949% (0.41   3.56  41.59) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  86  16.71 +/- 0.57   0.002% *  1.3024% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  86  19.42 +/- 0.66   0.001% *  0.3653% (0.28   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  86  25.35 +/- 0.77   0.000% *  1.1398% (0.87   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    ASP-  86  28.29 +/- 0.30   0.000% *  1.0976% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 780 (3.97, 8.05, 111.48 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.15, residual support = 18.0:
      O   QB    SER   85 - HN    SER   85   2.23 +/- 0.00  98.699% * 95.7839% (0.76   3.15  18.02) =  99.994%  kept
          HA    ALA   88 - HN    SER   85   4.86 +/- 0.03   0.913% *  0.5464% (0.69   0.02   0.02) =   0.005%
          HB2   SER   82 - HN    SER   85   5.63 +/- 0.10   0.381% *  0.1227% (0.15   0.02   1.80) =   0.000%
          QB    SER   48 - HN    SER   85  12.18 +/- 0.90   0.004% *  0.1771% (0.22   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   85  14.94 +/- 0.94   0.001% *  0.3566% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   85  19.33 +/- 0.99   0.000% *  0.7134% (0.90   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   85  14.76 +/- 0.37   0.001% *  0.1227% (0.15   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   85  20.82 +/- 0.45   0.000% *  0.5776% (0.73   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   85  28.95 +/- 0.41   0.000% *  0.6644% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   85  29.10 +/- 0.32   0.000% *  0.6079% (0.76   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   85  32.52 +/- 0.33   0.000% *  0.3270% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (3.70, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.27, residual support = 20.7:
      O   HA    ALA   84 - HN    SER   85   3.60 +/- 0.01  99.872% * 96.1672% (0.49   3.27  20.65) =  99.999%  kept
          HA    VAL   75 - HN    SER   85  11.27 +/- 0.18   0.107% *  0.6360% (0.53   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    SER   85  15.97 +/- 0.80   0.014% *  0.8304% (0.69   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    SER   85  18.93 +/- 0.47   0.005% *  0.3731% (0.31   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    SER   85  23.64 +/- 0.38   0.001% *  0.3361% (0.28   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    SER   85  27.98 +/- 0.34   0.000% *  0.9239% (0.76   0.02   0.02) =   0.000%
          HA    THR  118 - HN    SER   85  27.40 +/- 0.37   0.001% *  0.7332% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 782 (1.36, 8.05, 111.48 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 3.87, residual support = 20.7:
          QB    ALA   84 - HN    SER   85   2.73 +/- 0.04  99.669% * 95.9088% (1.00   3.87  20.65) =  99.999%  kept
          HB3   LEU   80 - HN    SER   85   7.23 +/- 0.46   0.321% *  0.2616% (0.53   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    SER   85  17.64 +/- 0.39   0.001% *  0.4971% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   85  15.88 +/- 0.55   0.003% *  0.1866% (0.38   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    SER   85  18.01 +/- 0.24   0.001% *  0.3799% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    SER   85  16.75 +/- 0.43   0.002% *  0.1866% (0.38   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    SER   85  19.85 +/- 0.93   0.001% *  0.4798% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   85  20.05 +/- 0.93   0.001% *  0.3015% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    SER   85  24.31 +/- 0.33   0.000% *  0.3216% (0.65   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   85  21.62 +/- 0.39   0.000% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   85  22.44 +/- 1.24   0.000% *  0.1240% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    SER   85  23.33 +/- 0.61   0.000% *  0.1534% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   85  26.61 +/- 0.52   0.000% *  0.2420% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   85  26.19 +/- 1.09   0.000% *  0.2044% (0.41   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    SER   85  30.08 +/- 0.85   0.000% *  0.4459% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   85  28.24 +/- 0.49   0.000% *  0.1534% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 3.91, residual support = 18.2:
      O   HA    ALA   84 - HN    ALA   84   2.80 +/- 0.03  99.881% * 96.7751% (0.49   3.91  18.19) =  99.999%  kept
          HA    VAL   75 - HN    ALA   84   8.69 +/- 0.22   0.113% *  0.5351% (0.53   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    ALA   84  15.32 +/- 0.64   0.004% *  0.6987% (0.69   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA   84  17.49 +/- 0.54   0.002% *  0.3139% (0.31   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA   84  21.47 +/- 0.45   0.000% *  0.2828% (0.28   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA   84  25.59 +/- 0.42   0.000% *  0.7773% (0.76   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA   84  25.21 +/- 0.44   0.000% *  0.6169% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 5.26, residual support = 41.3:
          HB    VAL   83 - HN    ALA   84   3.09 +/- 0.42  99.905% * 97.8202% (0.99   5.26  41.30) = 100.000%  kept
          HB3   MET   92 - HN    ALA   84  12.39 +/- 2.18   0.056% *  0.0657% (0.18   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ALA   84  14.00 +/- 1.01   0.019% *  0.1543% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA   84  15.52 +/- 0.29   0.009% *  0.1975% (0.53   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    ALA   84  16.27 +/- 0.42   0.007% *  0.0657% (0.18   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA   84  21.21 +/- 1.17   0.001% *  0.2726% (0.73   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   84  24.19 +/- 0.63   0.001% *  0.3721% (0.99   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   84  24.68 +/- 0.51   0.001% *  0.3623% (0.97   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   84  26.16 +/- 0.46   0.000% *  0.3551% (0.95   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA   84  24.02 +/- 1.00   0.001% *  0.0936% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   84  23.82 +/- 0.73   0.001% *  0.0579% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ALA   84  31.34 +/- 0.51   0.000% *  0.1827% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 5 structures by 0.11 A, kept.
 
    Peak 785 (1.36, 7.58, 119.96 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 4.26, residual support = 18.2:
      O   QB    ALA   84 - HN    ALA   84   1.95 +/- 0.01  99.420% * 95.6592% (0.87   4.26  18.19) =  99.999%  kept
          HB3   LEU   80 - HN    ALA   84   4.89 +/- 0.54   0.577% *  0.1440% (0.28   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    ALA   84  13.30 +/- 0.58   0.001% *  0.3350% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   84  15.76 +/- 0.43   0.000% *  0.4644% (0.90   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   84  15.52 +/- 0.33   0.000% *  0.2520% (0.49   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   84  17.62 +/- 0.96   0.000% *  0.3957% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   84  18.07 +/- 1.01   0.000% *  0.4492% (0.87   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   84  14.80 +/- 0.45   0.001% *  0.0907% (0.18   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   84  19.04 +/- 0.43   0.000% *  0.2932% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   84  20.24 +/- 1.18   0.000% *  0.2520% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   84  21.76 +/- 0.40   0.000% *  0.1943% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   84  24.44 +/- 1.07   0.000% *  0.3557% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   84  24.83 +/- 0.56   0.000% *  0.3957% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   84  25.66 +/- 0.50   0.000% *  0.2932% (0.57   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   84  28.16 +/- 0.88   0.000% *  0.3350% (0.65   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   84  26.36 +/- 2.45   0.000% *  0.0907% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 0.686, support = 5.85, residual support = 41.3:
          QG1   VAL   83 - HN    ALA   84   3.75 +/- 0.64  85.011% * 98.0129% (0.69   5.86  41.30) =  99.917%  kept
          QD2   LEU   80 - HN    ALA   84   5.26 +/- 0.32  14.845% *  0.4607% (0.95   0.02   0.02) =   0.082%
          QD1   LEU   73 - HN    ALA   84  11.49 +/- 0.24   0.126% *  0.2954% (0.61   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   84  17.72 +/- 0.35   0.009% *  0.2954% (0.61   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   84  20.27 +/- 0.46   0.004% *  0.4496% (0.92   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   84  20.70 +/- 0.41   0.004% *  0.4860% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.04 A, kept.
 
    Peak 787 (0.07, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 6.24, residual support = 41.3:
          QG2   VAL   83 - HN    ALA   84   3.16 +/- 0.69  93.141% * 99.2893% (0.76   6.24  41.30) =  99.985%  kept
          QD1   ILE   89 - HN    ALA   84   5.24 +/- 0.11   6.565% *  0.2026% (0.49   0.02  14.67) =   0.014%
          QD2   LEU   31 - HN    ALA   84  10.94 +/- 0.27   0.083% *  0.4154% (1.00   0.02   0.02) =   0.000%
          QG2   VAL   43 - HN    ALA   84   9.28 +/- 0.24   0.211% *  0.0927% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 20.9:
          HB2   SER   82 - HN    VAL   83   3.36 +/- 0.29  99.474% * 97.0129% (0.75   4.10  20.89) =  99.998%  kept
          HA    ALA   88 - HN    VAL   83   8.33 +/- 0.03   0.477% *  0.2678% (0.43   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    VAL   83  14.80 +/- 0.40   0.016% *  0.4636% (0.74   0.02   0.02) =   0.000%
          HA    SER   48 - HN    VAL   83  14.97 +/- 0.74   0.016% *  0.3787% (0.60   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    VAL   83  18.51 +/- 0.31   0.004% *  0.4688% (0.75   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    VAL   83  17.07 +/- 0.39   0.007% *  0.2488% (0.40   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   83  19.81 +/- 0.44   0.003% *  0.4242% (0.68   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   83  20.13 +/- 1.20   0.003% *  0.1613% (0.26   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    VAL   83  23.02 +/- 0.31   0.001% *  0.2869% (0.46   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   83  27.81 +/- 0.50   0.000% *  0.2869% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 4.73, residual support = 87.3:
      O   HA    VAL   83 - HN    VAL   83   2.86 +/- 0.01  99.993% * 97.7178% (0.46   4.73  87.28) = 100.000%  kept
          HA    GLN   30 - HN    VAL   83  15.86 +/- 0.42   0.004% *  0.4131% (0.46   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    VAL   83  17.89 +/- 0.62   0.002% *  0.6573% (0.73   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    VAL   83  19.32 +/- 0.85   0.001% *  0.3583% (0.40   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    VAL   83  22.97 +/- 0.48   0.000% *  0.4678% (0.52   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    VAL   83  23.14 +/- 0.65   0.000% *  0.3856% (0.43   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 4.8, residual support = 87.3:
      O   HB    VAL   83 - HN    VAL   83   2.51 +/- 0.52  99.977% * 97.6186% (0.75   4.80  87.28) = 100.000%  kept
          HD2   LYS+  74 - HN    VAL   83  14.49 +/- 0.91   0.007% *  0.1686% (0.31   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    VAL   83  14.14 +/- 2.38   0.010% *  0.0718% (0.13   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    VAL   83  17.31 +/- 0.31   0.002% *  0.2158% (0.40   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    VAL   83  20.57 +/- 1.31   0.001% *  0.2978% (0.55   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    VAL   83  17.21 +/- 0.42   0.002% *  0.0718% (0.13   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    VAL   83  22.93 +/- 0.63   0.000% *  0.4065% (0.75   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    VAL   83  24.79 +/- 0.58   0.000% *  0.3958% (0.73   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    VAL   83  26.54 +/- 0.66   0.000% *  0.3880% (0.71   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    VAL   83  25.54 +/- 1.06   0.000% *  0.1023% (0.19   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    VAL   83  25.34 +/- 0.85   0.000% *  0.0633% (0.12   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    VAL   83  31.63 +/- 0.68   0.000% *  0.1996% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 4 structures by 0.07 A, kept.
 
    Peak 791 (1.39, 6.59, 123.60 ppm):
    13 chemical-shift based assignments, quality = 0.188, support = 0.02, residual support = 0.02:
          HB2   LEU   80 - HN    VAL   83   3.14 +/- 0.40  99.928% *  2.8578% (0.19   0.02   0.02) =  99.803%  kept
          HB3   LEU   73 - HN    VAL   83  12.58 +/- 0.52   0.031% *  9.9416% (0.65   0.02   0.02) =   0.106%
          HB3   LYS+  74 - HN    VAL   83  13.63 +/- 0.26   0.018% *  4.7118% (0.31   0.02   0.02) =   0.030%
          QB    LEU   98 - HN    VAL   83  15.81 +/- 0.72   0.008% *  7.8727% (0.52   0.02   0.02) =   0.021%
          HG3   LYS+  33 - HN    VAL   83  18.61 +/- 1.32   0.003% * 11.0607% (0.73   0.02   0.02) =   0.011%
          HB    VAL   42 - HN    VAL   83  18.81 +/- 0.55   0.003% * 10.5799% (0.70   0.02   0.02) =   0.010%
          HG3   LYS+ 106 - HN    VAL   83  18.30 +/- 1.23   0.003% *  7.4142% (0.49   0.02   0.02) =   0.008%
          HB3   PRO   93 - HN    VAL   83  17.27 +/- 0.39   0.004% *  1.7684% (0.12   0.02   0.02) =   0.003%
          HG3   LYS+ 102 - HN    VAL   83  23.63 +/- 1.31   0.001% *  9.5730% (0.63   0.02   0.02) =   0.002%
          QB    ALA   12 - HN    VAL   83  25.56 +/- 2.48   0.001% * 10.5799% (0.70   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    VAL   83  25.75 +/- 0.52   0.000% * 10.5799% (0.70   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    VAL   83  26.36 +/- 0.59   0.000% *  8.7588% (0.58   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    VAL   83  26.70 +/- 1.45   0.000% *  4.3014% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 792 (0.61, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.748, support = 5.37, residual support = 87.3:
          QG1   VAL   83 - HN    VAL   83   2.32 +/- 0.22  94.073% * 99.2393% (0.75   5.37  87.28) =  99.990%  kept
          QD2   LEU   80 - HN    VAL   83   3.98 +/- 0.35   5.769% *  0.1533% (0.31   0.02   0.02) =   0.009%
          QG2   ILE   89 - HN    VAL   83   6.85 +/- 0.13   0.158% *  0.2262% (0.46   0.02   0.14) =   0.000%
          QD1   LEU  104 - HN    VAL   83  20.32 +/- 0.53   0.000% *  0.2412% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   83  21.05 +/- 0.49   0.000% *  0.1400% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.17 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   3.36 +/- 0.60  97.113% * 99.3986% (0.74   5.30  87.28) =  99.989%  kept
          QD1   ILE   89 - HN    VAL   83   6.43 +/- 0.10   2.667% *  0.3693% (0.73   0.02   0.14) =   0.010%
          QD2   LEU   31 - HN    VAL   83   9.78 +/- 0.22   0.219% *  0.2321% (0.46   0.02   0.02) =   0.001%
    Distance limit 4.03 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 = 34.9:
      O   HB2   SER   82 - HN    SER   82   2.74 +/- 0.64  99.839% * 96.8668% (0.87   4.32  34.89) = 100.000%  kept
          HA    ALA   88 - HN    SER   82   9.07 +/- 0.07   0.141% *  0.1438% (0.28   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    SER   82  15.30 +/- 0.36   0.006% *  0.4891% (0.95   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   82  15.05 +/- 0.80   0.008% *  0.2517% (0.49   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    SER   82  19.58 +/- 0.37   0.001% *  0.4773% (0.92   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    SER   82  20.86 +/- 0.43   0.001% *  0.5159% (1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   82  18.37 +/- 0.38   0.002% *  0.1289% (0.25   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    SER   82  24.64 +/- 0.40   0.000% *  0.4637% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   82  21.03 +/- 1.02   0.001% *  0.0700% (0.14   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    SER   82  29.78 +/- 0.46   0.000% *  0.4637% (0.90   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    SER   82  24.90 +/- 0.65   0.000% *  0.1289% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 34.9:
      O   HB3   SER   82 - HN    SER   82   2.60 +/- 0.40  99.968% * 96.1740% (0.69   3.71  34.89) = 100.000%  kept
          HA    ILE   89 - HN    SER   82  10.65 +/- 0.10   0.028% *  0.7555% (1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   82  16.70 +/- 0.41   0.002% *  0.1166% (0.15   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    SER   82  23.71 +/- 0.62   0.000% *  0.7555% (1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   82  24.07 +/- 0.82   0.000% *  0.7291% (0.97   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   82  20.24 +/- 0.72   0.001% *  0.1495% (0.20   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   82  26.06 +/- 1.40   0.000% *  0.7147% (0.95   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   82  26.16 +/- 0.51   0.000% *  0.6050% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 5.08, residual support = 19.1:
          QB    LYS+  81 - HN    SER   82   3.09 +/- 0.06  99.951% * 96.7222% (0.97   5.08  19.05) = 100.000%  kept
          HB3   GLN   90 - HN    SER   82  13.07 +/- 0.39   0.018% *  0.3640% (0.92   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    SER   82  14.44 +/- 0.58   0.010% *  0.2075% (0.53   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    SER   82  14.94 +/- 2.75   0.013% *  0.1480% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    SER   82  17.45 +/- 0.60   0.003% *  0.3420% (0.87   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    SER   82  19.02 +/- 0.81   0.002% *  0.3865% (0.98   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    SER   82  21.60 +/- 0.58   0.001% *  0.3420% (0.87   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    SER   82  22.39 +/- 1.15   0.001% *  0.2863% (0.73   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    SER   82  22.25 +/- 0.99   0.001% *  0.2709% (0.69   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    SER   82  24.99 +/- 0.69   0.000% *  0.3013% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    SER   82  26.57 +/- 0.87   0.000% *  0.2863% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    SER   82  30.80 +/- 0.43   0.000% *  0.2551% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    SER   82  27.22 +/- 0.44   0.000% *  0.0878% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 797 (1.58, 8.64, 114.33 ppm):
    3 chemical-shift based assignments, quality = 0.249, support = 5.08, residual support = 19.1:
          QG    LYS+  81 - HN    SER   82   3.97 +/- 0.20  99.993% * 98.7606% (0.25   5.08  19.05) = 100.000%  kept
          HG2   LYS+ 106 - HN    SER   82  21.06 +/- 0.90   0.005% *  0.4810% (0.31   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HN    SER   82  23.39 +/- 1.10   0.003% *  0.7585% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 798 (0.61, 8.64, 114.33 ppm):
    7 chemical-shift based assignments, quality = 0.91, support = 4.11, residual support = 18.0:
          QG1   VAL   83 - HN    SER   82   4.37 +/- 0.17  59.517% * 79.4893% (0.95   4.52  20.89) =  86.049%  kept
          QD2   LEU   80 - HN    SER   82   4.70 +/- 0.36  39.163% * 19.5813% (0.69   1.53   0.20) =  13.948%  kept
          QG2   ILE   89 - HN    SER   82   8.43 +/- 0.17   1.159% *  0.1267% (0.34   0.02   0.02) =   0.003%
          QD1   LEU   73 - HN    SER   82  11.82 +/- 0.41   0.147% *  0.1146% (0.31   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    SER   82  22.22 +/- 0.61   0.003% *  0.3331% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    SER   82  19.64 +/- 0.55   0.007% *  0.1146% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    SER   82  22.62 +/- 0.48   0.003% *  0.2403% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 799 (1.87, 7.29, 121.74 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.22, residual support = 109.6:
      O   QB    LYS+  81 - HN    LYS+  81   2.61 +/- 0.13  99.979% * 96.8063% (0.97   5.22 109.60) = 100.000%  kept
          HB3   GLN   90 - HN    LYS+  81  12.19 +/- 0.33   0.010% *  0.3547% (0.92   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  81  14.54 +/- 2.53   0.005% *  0.1442% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  81  14.88 +/- 0.53   0.003% *  0.2021% (0.53   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  81  18.00 +/- 0.54   0.001% *  0.3333% (0.87   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  81  19.52 +/- 0.66   0.001% *  0.3766% (0.98   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  81  20.52 +/- 0.54   0.000% *  0.3333% (0.87   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  81  20.45 +/- 1.20   0.000% *  0.2790% (0.73   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  81  23.47 +/- 0.80   0.000% *  0.2639% (0.69   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  81  25.39 +/- 0.57   0.000% *  0.2936% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  81  27.67 +/- 0.94   0.000% *  0.2790% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  81  30.44 +/- 0.47   0.000% *  0.2485% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  81  25.96 +/- 0.45   0.000% *  0.0855% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 5.9, residual support = 109.6:
          QG    LYS+  81 - HN    LYS+  81   1.94 +/- 0.22  99.999% * 98.9703% (0.97   5.90 109.60) = 100.000%  kept
          HD3   LYS+  74 - HN    LYS+  81  14.74 +/- 0.65   0.001% *  0.1185% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+  81  19.81 +/- 0.63   0.000% *  0.3286% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    LYS+  81  21.76 +/- 0.90   0.000% *  0.3207% (0.92   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    LYS+  81  24.68 +/- 0.48   0.000% *  0.1072% (0.31   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+  81  25.54 +/- 0.65   0.000% *  0.0773% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+  81  28.78 +/- 0.55   0.000% *  0.0773% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.267, support = 4.75, residual support = 34.2:
          QD1   LEU   80 - HN    LYS+  81   3.49 +/- 0.21  90.809% * 18.2670% (0.15   4.38  34.22) =  69.610%  kept
          QD2   LEU   80 - HN    LYS+  81   5.24 +/- 0.22   9.097% * 79.6036% (0.53   5.59  34.22) =  30.389%  kept
          QD1   LEU   73 - HN    LYS+  81  12.10 +/- 0.38   0.057% *  0.4852% (0.90   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    LYS+  81  14.89 +/- 0.42   0.016% *  0.1504% (0.28   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LYS+  81  19.31 +/- 0.48   0.003% *  0.4852% (0.90   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LYS+  81  15.65 +/- 0.73   0.012% *  0.0835% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LYS+  81  21.52 +/- 0.52   0.002% *  0.4519% (0.84   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  81  22.04 +/- 0.49   0.001% *  0.3063% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LYS+  81  22.78 +/- 0.51   0.001% *  0.1670% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 802 (2.91, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.572, support = 3.05, residual support = 12.2:
          HB2   ASP-  78 - HN    GLU-  79   3.07 +/- 0.45  48.724% * 71.4269% (0.60   3.62  15.47) =  70.997%  kept
          HB2   ASP-  76 - HN    GLU-  79   3.00 +/- 0.38  51.255% * 27.7376% (0.51   1.65   4.25) =  29.003%  kept
          HB2   ASP-  86 - HN    GLU-  79  11.56 +/- 0.38   0.017% *  0.0544% (0.08   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    GLU-  79  15.11 +/- 0.21   0.003% *  0.1654% (0.25   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    GLU-  79  18.92 +/- 1.08   0.001% *  0.2117% (0.32   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  79  20.62 +/- 0.90   0.001% *  0.1119% (0.17   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    GLU-  79  27.03 +/- 0.51   0.000% *  0.2922% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (2.34, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.0941, support = 3.99, residual support = 53.7:
      O   HB2   GLU-  79 - HN    GLU-  79   2.30 +/- 0.17  99.997% * 92.1720% (0.09   3.99  53.74) = 100.000%  kept
          HG3   GLU-  25 - HN    GLU-  79  15.97 +/- 0.29   0.001% *  1.9372% (0.39   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  79  15.18 +/- 0.68   0.001% *  1.3426% (0.27   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    GLU-  79  20.10 +/- 0.46   0.000% *  2.3979% (0.49   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLU-  79  21.07 +/- 0.28   0.000% *  1.0215% (0.21   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLU-  79  25.51 +/- 0.41   0.000% *  0.6667% (0.14   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLU-  79  27.36 +/- 0.53   0.000% *  0.4621% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 805 (2.15, 8.02, 121.50 ppm):
    6 chemical-shift based assignments, quality = 0.588, support = 3.85, residual support = 53.7:
      O   HB3   GLU-  79 - HN    GLU-  79   2.99 +/- 0.28  99.816% * 98.1914% (0.59   3.85  53.74) =  99.999%  kept
          HB2   GLN   90 - HN    GLU-  79   8.95 +/- 0.62   0.177% *  0.4042% (0.47   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    GLU-  79  17.46 +/- 0.48   0.003% *  0.4882% (0.56   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  79  17.00 +/- 0.57   0.003% *  0.2994% (0.35   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  79  22.26 +/- 0.21   0.001% *  0.5242% (0.60   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  79  27.33 +/- 1.23   0.000% *  0.0926% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.02 A, kept.
 
    Peak 819 (2.79, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 3.95, residual support = 37.1:
      O   HB3   ASP-  78 - HN    ASP-  78   2.53 +/- 0.36  99.509% * 97.1570% (0.49   3.95  37.07) =  99.995%  kept
          QB    CYS   50 - HN    ASP-  78   6.72 +/- 0.41   0.434% *  0.9747% (0.97   0.02   0.02) =   0.004%
          QE    LYS+  74 - HN    ASP-  78   9.24 +/- 0.90   0.055% *  0.9900% (0.98   0.02   0.02) =   0.001%
          HB2   PHE   72 - HN    ASP-  78  16.17 +/- 0.69   0.002% *  0.2249% (0.22   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ASP-  78  27.37 +/- 0.27   0.000% *  0.6534% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.967, support = 4.87, residual support = 34.0:
      O   HB2   ASP-  78 - HN    ASP-  78   2.65 +/- 0.24  89.912% * 52.0730% (0.98   4.83  37.07) =  90.732%  kept
          HB2   ASP-  76 - HN    ASP-  78   4.04 +/- 0.41  10.074% * 47.4706% (0.84   5.17   3.59) =   9.268%  kept
          HB2   ASP-  86 - HN    ASP-  78  12.16 +/- 0.38   0.011% *  0.0297% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  78  16.94 +/- 0.24   0.001% *  0.0904% (0.41   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  78  20.17 +/- 1.05   0.001% *  0.1156% (0.53   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  78  20.32 +/- 0.80   0.001% *  0.0611% (0.28   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  78  27.43 +/- 0.44   0.000% *  0.1596% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 4.62, residual support = 28.0:
      O   HA    THR   77 - HN    ASP-  78   3.48 +/- 0.01  99.845% * 99.6629% (0.92   4.62  28.02) = 100.000%  kept
          HD2   PRO   93 - HN    ASP-  78  11.02 +/- 0.29   0.100% *  0.1165% (0.25   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ASP-  78  12.36 +/- 0.26   0.050% *  0.1165% (0.25   0.02   0.02) =   0.000%
          HA    LEU   31 - HN    ASP-  78  18.13 +/- 0.22   0.005% *  0.1041% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 2.46, residual support = 3.59:
          HA    ASP-  76 - HN    ASP-  78   3.48 +/- 0.08  99.999% * 99.6476% (0.95   2.46   3.59) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  78  24.54 +/- 0.34   0.001% *  0.3524% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.30 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 = 4.02, residual support = 37.7:
      O   HA    THR   77 - HN    THR   77   2.76 +/- 0.00  99.902% * 99.4292% (0.98   4.02  37.70) = 100.000%  kept
          HD2   PRO   93 - HN    THR   77   9.04 +/- 0.30   0.082% *  0.2854% (0.57   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    THR   77  11.91 +/- 0.47   0.016% *  0.2854% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 0.945, support = 3.52, residual support = 14.8:
          HB2   ASP-  76 - HN    THR   77   4.57 +/- 0.17  69.302% * 60.1837% (1.00   3.64  10.96) =  77.599%  kept
          HB2   ASP-  78 - HN    THR   77   5.27 +/- 0.27  30.644% * 39.2899% (0.76   3.10  28.02) =  22.401%  kept
          HB2   ASN   28 - HN    THR   77  16.54 +/- 0.45   0.031% *  0.0581% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    THR   77  19.21 +/- 1.05   0.014% *  0.0827% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    THR   77  25.47 +/- 0.46   0.002% *  0.3200% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    THR   77  21.62 +/- 0.65   0.006% *  0.0656% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.77 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 = 11.0:
          HB3   ASP-  76 - HN    THR   77   3.95 +/- 0.22  94.630% * 95.2549% (0.57   3.64  10.96) =  99.971%  kept
          HG3   MET   92 - HN    THR   77   8.35 +/- 1.33   1.714% *  0.9250% (1.00   0.02   0.02) =   0.018%
          QG    GLN   90 - HN    THR   77   7.53 +/- 0.81   2.707% *  0.3155% (0.34   0.02   0.02) =   0.009%
          HB2   ASP-  44 - HN    THR   77   8.74 +/- 0.28   0.860% *  0.1831% (0.20   0.02   0.02) =   0.002%
          HB2   GLU-  29 - HN    THR   77  17.40 +/- 0.51   0.014% *  0.9067% (0.98   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    THR   77  14.31 +/- 0.78   0.046% *  0.2572% (0.28   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    THR   77  18.94 +/- 0.25   0.008% *  0.7407% (0.80   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    THR   77  19.23 +/- 0.51   0.007% *  0.6354% (0.69   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR   77  20.31 +/- 1.51   0.006% *  0.2059% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR   77  19.95 +/- 1.27   0.006% *  0.1252% (0.14   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    THR   77  25.97 +/- 0.48   0.001% *  0.4503% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 826 (1.32, 9.27, 119.07 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 4.02, residual support = 37.7:
          QG2   THR   77 - HN    THR   77   2.10 +/- 0.18  99.880% * 96.0922% (0.61   4.02  37.70) = 100.000%  kept
          HB3   LEU   80 - HN    THR   77   7.05 +/- 0.51   0.100% *  0.3237% (0.41   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    THR   77  10.25 +/- 0.32   0.008% *  0.7448% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    THR   77   9.78 +/- 0.12   0.011% *  0.1753% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   77  16.88 +/- 0.43   0.000% *  0.5093% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   77  16.93 +/- 0.35   0.000% *  0.4458% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   77  15.96 +/- 0.32   0.001% *  0.2430% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   77  23.67 +/- 0.48   0.000% *  0.7061% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   77  25.93 +/- 0.87   0.000% *  0.7598% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 827 (0.38, 9.27, 119.07 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 2.61, residual support = 3.84:
          QB    ALA   47 - HN    THR   77   3.83 +/- 0.29  99.776% * 98.6323% (0.90   2.61   3.84) =  99.999%  kept
          QG1   VAL   42 - HN    THR   77  11.52 +/- 0.29   0.150% *  0.6742% (0.80   0.02   0.02) =   0.001%
          QB    ALA   64 - HN    THR   77  13.39 +/- 0.30   0.059% *  0.3160% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    THR   77  16.92 +/- 0.89   0.015% *  0.3775% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 828 (3.72, 8.53, 128.95 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.14, residual support = 83.3:
      O   HA    VAL   75 - HN    VAL   75   2.92 +/- 0.01  99.953% * 99.3912% (0.97   5.14  83.28) = 100.000%  kept
          HD3   PRO   58 - HN    VAL   75  12.60 +/- 0.37   0.016% *  0.3928% (0.98   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    VAL   75  11.33 +/- 0.35   0.030% *  0.1367% (0.34   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   75  18.01 +/- 0.57   0.002% *  0.0793% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 0.985, residual support = 0.983:
          HB2   ASP-  44 - HN    VAL   75   4.36 +/- 0.24  97.291% * 89.8613% (0.87   0.99   0.98) =  99.954%  kept
          HB3   PHE   72 - HN    VAL   75   8.54 +/- 0.82   2.084% *  1.6073% (0.76   0.02   0.02) =   0.038%
          QG    GLN   90 - HN    VAL   75  12.52 +/- 0.78   0.203% *  1.4447% (0.69   0.02   0.02) =   0.003%
          QG    GLU-  15 - HN    VAL   75  14.97 +/- 1.26   0.074% *  1.9896% (0.95   0.02   0.02) =   0.002%
          HG2   MET   92 - HN    VAL   75  12.06 +/- 0.73   0.249% *  0.3683% (0.18   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    VAL   75  16.25 +/- 1.46   0.046% *  1.7567% (0.84   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    VAL   75  16.12 +/- 0.65   0.040% *  0.7174% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - HN    VAL   75  24.05 +/- 1.86   0.004% *  1.8862% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    VAL   75  20.56 +/- 0.44   0.009% *  0.3683% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.04 A, kept.
 
    Peak 830 (1.43, 8.53, 128.95 ppm):
    14 chemical-shift based assignments, quality = 0.226, support = 4.23, residual support = 25.7:
          HB3   LYS+  74 - HN    VAL   75   4.44 +/- 0.09  88.417% * 44.8457% (0.20   4.40  27.08) =  94.854%  kept
          HG    LEU   73 - HN    VAL   75   7.36 +/- 0.24   4.414% * 47.5997% (0.76   1.21   0.30) =   5.026%  kept
          HG    LEU   80 - HN    VAL   75   8.51 +/- 1.13   2.979% *  0.8937% (0.87   0.02   0.02) =   0.064%
          HB2   LEU   80 - HN    VAL   75   8.27 +/- 0.41   2.250% *  0.3514% (0.34   0.02   0.02) =   0.019%
          QB    ALA   61 - HN    VAL   75  10.34 +/- 0.30   0.565% *  1.0099% (0.98   0.02   0.02) =   0.014%
          QB    ALA  110 - HN    VAL   75  10.66 +/- 0.37   0.477% *  0.8606% (0.84   0.02   0.02) =   0.010%
          HG12  ILE   19 - HN    VAL   75  10.63 +/- 0.18   0.476% *  0.7874% (0.76   0.02   0.02) =   0.009%
          HB3   LEU   67 - HN    VAL   75  14.86 +/- 0.55   0.065% *  1.0280% (1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    VAL   75  16.07 +/- 0.61   0.041% *  0.9511% (0.92   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    VAL   75  13.43 +/- 0.98   0.129% *  0.2865% (0.28   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    VAL   75  13.70 +/- 0.73   0.108% *  0.2865% (0.28   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    VAL   75  15.52 +/- 0.78   0.051% *  0.2039% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    VAL   75  20.22 +/- 0.95   0.011% *  0.6665% (0.65   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   75  18.65 +/- 1.04   0.017% *  0.2294% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.04 A, kept.
 
    Peak 831 (1.26, 8.53, 128.95 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 5.66, residual support = 27.1:
          HG2   LYS+  74 - HN    VAL   75   3.36 +/- 0.27  98.532% * 95.2055% (0.45   5.66  27.08) =  99.991%  kept
          QG2   ILE   56 - HN    VAL   75   7.59 +/- 0.37   0.901% *  0.6508% (0.87   0.02   0.02) =   0.006%
          QB    ALA   91 - HN    VAL   75   9.91 +/- 0.26   0.166% *  0.7240% (0.97   0.02   0.02) =   0.001%
          HG13  ILE   19 - HN    VAL   75  10.59 +/- 0.15   0.110% *  0.5154% (0.69   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    VAL   75  10.80 +/- 0.24   0.098% *  0.5154% (0.69   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    VAL   75  10.53 +/- 0.22   0.113% *  0.2559% (0.34   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    VAL   75  13.73 +/- 0.55   0.025% *  0.7240% (0.97   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    VAL   75  12.59 +/- 1.25   0.048% *  0.3084% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    VAL   75  17.90 +/- 1.15   0.005% *  0.3652% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    VAL   75  20.84 +/- 1.43   0.002% *  0.7354% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 832 (1.00, 8.53, 128.95 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 4.37, residual support = 83.3:
      O   HB    VAL   75 - HN    VAL   75   2.42 +/- 0.49  97.451% * 98.6484% (0.95   4.37  83.28) =  99.994%  kept
          HG3   LYS+  74 - HN    VAL   75   4.88 +/- 0.18   2.502% *  0.2322% (0.49   0.02  27.08) =   0.006%
          QD2   LEU   40 - HN    VAL   75  11.37 +/- 0.38   0.018% *  0.3646% (0.76   0.02   0.02) =   0.000%
          QD1   LEU   67 - HN    VAL   75  11.70 +/- 0.62   0.014% *  0.3464% (0.73   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    VAL   75  12.68 +/- 0.29   0.010% *  0.2894% (0.61   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    VAL   75  13.40 +/- 0.62   0.006% *  0.1190% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.04 A, kept.
 
    Peak 833 (0.76, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.666, support = 0.59, residual support = 1.37:
          QG2   THR   46 - HN    VAL   75   4.06 +/- 0.44  71.820% * 21.7134% (0.69   0.38   1.92) =  68.501%  kept
          QD2   LEU   73 - HN    VAL   75   6.18 +/- 0.65   8.045% * 54.0314% (0.41   1.58   0.30) =  19.093%  kept
          QG1   VAL   43 - HN    VAL   75   5.39 +/- 0.31  14.467% * 19.0476% (0.97   0.24   0.02) =  12.105%  kept
          QG2   VAL   18 - HN    VAL   75   6.65 +/- 0.48   4.296% *  1.3338% (0.80   0.02   0.02) =   0.252%
          QG1   VAL   41 - HN    VAL   75  10.35 +/- 0.49   0.283% *  1.6620% (1.00   0.02   0.02) =   0.021%
          QD1   ILE   19 - HN    VAL   75   9.01 +/- 0.44   0.651% *  0.5682% (0.34   0.02   0.02) =   0.016%
          HG    LEU   31 - HN    VAL   75  10.72 +/- 0.31   0.236% *  0.9431% (0.57   0.02   0.02) =   0.010%
          QD1   ILE   56 - HN    VAL   75  11.13 +/- 0.32   0.175% *  0.3296% (0.20   0.02   0.02) =   0.003%
          QD2   LEU  104 - HN    VAL   75  15.26 +/- 0.27   0.027% *  0.3708% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 834 (0.45, 8.53, 128.95 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.14, residual support = 83.3:
          QG1   VAL   75 - HN    VAL   75   3.32 +/- 0.52  99.939% * 99.6789% (0.92   5.14  83.28) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   75  11.90 +/- 0.58   0.061% *  0.3211% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.11, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 4.95, residual support = 83.3:
          QG2   VAL   75 - HN    VAL   75   2.94 +/- 0.31  99.515% * 99.5125% (0.49   4.95  83.28) =  99.999%  kept
          QG2   VAL   42 - HN    VAL   75   8.39 +/- 1.04   0.298% *  0.2816% (0.34   0.02   0.02) =   0.001%
          QD1   ILE   89 - HN    VAL   75   8.63 +/- 0.42   0.187% *  0.2059% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 0.647, support = 4.44, residual support = 162.5:
      O   HB3   LYS+  74 - HN    LYS+  74   2.68 +/- 0.16  64.257% * 81.0809% (0.71   4.30 175.61) =  89.911%  kept
          HB3   LEU   73 - HN    LYS+  74   2.98 +/- 0.14  35.276% * 16.5702% (0.11   5.68  45.45) =  10.087%  kept
          HG12  ILE   19 - HN    LYS+  74   6.54 +/- 0.13   0.300% *  0.2294% (0.43   0.02   8.15) =   0.001%
          HB2   LEU   80 - HN    LYS+  74  10.07 +/- 0.35   0.023% *  0.3650% (0.68   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  74   9.84 +/- 1.03   0.036% *  0.1841% (0.34   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+  74   8.85 +/- 0.68   0.052% *  0.0749% (0.14   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  74   9.88 +/- 0.38   0.026% *  0.1167% (0.22   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  74  12.22 +/- 0.45   0.007% *  0.3281% (0.61   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  74  13.40 +/- 0.36   0.004% *  0.1990% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  74  12.17 +/- 0.67   0.008% *  0.0943% (0.18   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  74  16.61 +/- 1.87   0.002% *  0.2294% (0.43   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+  74  13.17 +/- 0.63   0.005% *  0.0749% (0.14   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  74  13.09 +/- 0.51   0.005% *  0.0749% (0.14   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+  74  19.93 +/- 0.86   0.000% *  0.3782% (0.71   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 837 (0.80, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.197, support = 6.07, residual support = 45.4:
          QD2   LEU   73 - HN    LYS+  74   4.00 +/- 0.29  99.337% * 97.3948% (0.20   6.07  45.45) =  99.998%  kept
          HG    LEU   31 - HN    LYS+  74   9.64 +/- 0.27   0.558% *  0.2020% (0.12   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LYS+  74  13.21 +/- 0.27   0.084% *  0.6069% (0.37   0.02   0.02) =   0.001%
          QD2   LEU  123 - HN    LYS+  74  17.89 +/- 0.60   0.014% *  0.6530% (0.40   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  74  19.78 +/- 0.47   0.007% *  1.1433% (0.70   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 7 structures by 0.22 A, kept.
 
    Peak 838 (1.70, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.635, support = 5.93, residual support = 45.4:
          HB2   LEU   73 - HN    LYS+  74   3.51 +/- 0.46  99.809% * 98.0352% (0.64   5.93  45.45) = 100.000%  kept
          QD    LYS+ 106 - HN    LYS+  74  13.48 +/- 0.95   0.039% *  0.3654% (0.70   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    LYS+  74  12.33 +/- 0.31   0.066% *  0.2087% (0.40   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+  74  14.71 +/- 0.92   0.024% *  0.2818% (0.54   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    LYS+  74  15.53 +/- 0.53   0.016% *  0.3679% (0.71   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+  74  14.54 +/- 0.80   0.025% *  0.1258% (0.24   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LYS+  74  16.64 +/- 0.80   0.012% *  0.1653% (0.32   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+  74  21.86 +/- 0.76   0.002% *  0.2385% (0.46   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+  74  19.03 +/- 0.85   0.005% *  0.0730% (0.14   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LYS+  74  22.00 +/- 0.47   0.002% *  0.1384% (0.27   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 839 (1.82, 8.48, 121.30 ppm):
    9 chemical-shift based assignments, quality = 0.533, support = 0.0194, residual support = 0.0194:
          HB    VAL   41 - HN    LYS+  74   9.99 +/- 0.42  32.089% * 15.4986% (0.71   0.02   0.02) =  50.444%  kept
          HB2   LEU   71 - HN    LYS+  74   9.29 +/- 0.47  49.443% *  5.8297% (0.27   0.02   0.02) =  29.236%  kept
          QB    LYS+  66 - HN    LYS+  74  14.15 +/- 0.38   3.949% * 14.9905% (0.68   0.02   0.02) =   6.004%  kept
          QB    LYS+  65 - HN    LYS+  74  13.12 +/- 0.36   6.213% *  6.3858% (0.29   0.02   0.02) =   4.024%  kept
          HG12  ILE  103 - HN    LYS+  74  15.16 +/- 0.68   2.670% * 14.6936% (0.67   0.02   0.02) =   3.979%  kept
          HG2   PRO   93 - HN    LYS+  74  15.07 +/- 0.80   2.904% * 11.8708% (0.54   0.02   0.02) =   3.497%  kept
          HB3   PRO   52 - HN    LYS+  74  17.10 +/- 0.80   1.329% * 11.2793% (0.51   0.02   0.02) =   1.521%
          QB    LYS+ 102 - HN    LYS+  74  17.86 +/- 0.38   0.981% *  8.1723% (0.37   0.02   0.02) =   0.813%
          HG    LEU  123 - HN    LYS+  74  20.59 +/- 0.57   0.421% * 11.2793% (0.51   0.02   0.02) =   0.481%
    Distance limit 4.55 A violated in 20 structures by 3.72 A, eliminated.
    Peak unassigned.
 
    Peak 840 (2.28, 8.95, 120.59 ppm):
    9 chemical-shift based assignments, quality = 0.769, support = 4.93, residual support = 30.8:
          HB3   PHE   72 - HN    LEU   73   3.64 +/- 0.51  89.263% * 68.6389% (0.76   5.08  31.98) =  95.210%  kept
          HB2   ASP-  44 - HN    LEU   73   5.51 +/- 0.29  10.294% * 29.9280% (0.87   1.95   7.16) =   4.788%  kept
          QG    GLU-  15 - HN    LEU   73  10.56 +/- 1.41   0.310% *  0.3342% (0.95   0.02   0.02) =   0.002%
          QG    GLU-  14 - HN    LEU   73  13.38 +/- 1.34   0.065% *  0.2951% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    LEU   73  14.42 +/- 0.71   0.028% *  0.1205% (0.34   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LEU   73  17.70 +/- 0.74   0.008% *  0.2427% (0.69   0.02   0.02) =   0.000%
          QB    MET   11 - HN    LEU   73  20.45 +/- 1.56   0.004% *  0.3169% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   73  16.32 +/- 0.81   0.015% *  0.0619% (0.18   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   73  16.81 +/- 0.60   0.012% *  0.0619% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 6.43, residual support = 162.7:
      O   HB2   LEU   73 - HN    LEU   73   2.98 +/- 0.25  99.818% * 98.0901% (0.99   6.43 162.74) = 100.000%  kept
          QD    LYS+ 106 - HN    LEU   73  11.18 +/- 0.84   0.044% *  0.2762% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    LEU   73  11.66 +/- 0.54   0.033% *  0.2672% (0.87   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    LEU   73  11.30 +/- 0.30   0.040% *  0.0768% (0.25   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU   73  14.96 +/- 0.78   0.007% *  0.3053% (0.99   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU   73  15.12 +/- 0.70   0.007% *  0.2116% (0.69   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LEU   73  12.44 +/- 0.89   0.023% *  0.0539% (0.18   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU   73  15.47 +/- 1.48   0.020% *  0.0539% (0.18   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU   73  15.97 +/- 0.81   0.005% *  0.1499% (0.49   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LEU   73  18.21 +/- 0.48   0.002% *  0.2237% (0.73   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU   73  20.24 +/- 0.72   0.001% *  0.2914% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 842 (1.40, 8.95, 120.59 ppm):
    15 chemical-shift based assignments, quality = 0.447, support = 5.75, residual support = 122.1:
      O   HB3   LEU   73 - HN    LEU   73   3.81 +/- 0.03  65.894% * 34.2600% (0.41   6.46 162.74) =  73.446%  kept
          HB    VAL   42 - HN    LEU   73   4.53 +/- 0.62  28.727% * 23.8826% (0.49   3.81   3.07) =  22.321%  kept
          HB3   LYS+  74 - HN    LEU   73   6.32 +/- 0.23   3.224% * 40.2842% (0.87   3.60  45.45) =   4.226%  kept
          HG12  ILE   19 - HN    LEU   73   7.34 +/- 0.21   1.341% *  0.0717% (0.28   0.02   5.23) =   0.003%
          QB    LEU   98 - HN    LEU   73   9.13 +/- 0.40   0.355% *  0.2573% (1.00   0.02   0.02) =   0.003%
          HG3   LYS+  33 - HN    LEU   73  11.07 +/- 0.57   0.114% *  0.1460% (0.57   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HN    LEU   73  11.80 +/- 0.44   0.077% *  0.1255% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   73  12.84 +/- 0.33   0.045% *  0.1771% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   73  11.84 +/- 0.93   0.081% *  0.0574% (0.22   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   73  12.41 +/- 1.08   0.068% *  0.0510% (0.20   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   73  16.74 +/- 1.53   0.012% *  0.2380% (0.92   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   73  16.11 +/- 0.86   0.012% *  0.2154% (0.84   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   73  13.19 +/- 0.30   0.039% *  0.0574% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   73  17.60 +/- 0.68   0.007% *  0.0968% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   73  19.36 +/- 0.48   0.004% *  0.0796% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.02 A, kept.
 
    Peak 843 (0.78, 8.95, 120.59 ppm):
    7 chemical-shift based assignments, quality = 0.935, support = 7.77, residual support = 151.3:
          QD2   LEU   73 - HN    LEU   73   2.56 +/- 0.61  75.077% * 78.5941% (0.98   7.96 162.74) =  92.468%  kept
          QG1   VAL   43 - HN    LEU   73   3.58 +/- 0.60  23.059% * 20.8391% (0.38   5.51  10.58) =   7.530%  kept
          QG2   VAL   18 - HN    LEU   73   5.32 +/- 0.61   1.428% *  0.0399% (0.20   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    LEU   73   6.74 +/- 0.34   0.358% *  0.1141% (0.57   0.02   0.62) =   0.001%
          HG    LEU   31 - HN    LEU   73   9.48 +/- 0.72   0.067% *  0.2011% (1.00   0.02   3.24) =   0.000%
          QD1   ILE   56 - HN    LEU   73  12.27 +/- 0.30   0.009% *  0.1614% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   73  15.84 +/- 0.48   0.002% *  0.0503% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 0.573, support = 5.56, residual support = 134.3:
          QD1   LEU   73 - HN    LEU   73   4.21 +/- 0.13  50.857% * 79.2389% (0.57   6.43 162.74) =  82.484%  kept
          QG2   VAL   41 - HN    LEU   73   4.33 +/- 0.31  43.787% * 19.5151% (0.61   1.48   0.62) =  17.491%  kept
          QD1   LEU   63 - HN    LEU   73   7.21 +/- 0.44   2.133% *  0.2466% (0.57   0.02   0.02) =   0.011%
          QD2   LEU   98 - HN    LEU   73   7.43 +/- 0.72   1.958% *  0.1791% (0.41   0.02   0.02) =   0.007%
          QD2   LEU   63 - HN    LEU   73   8.73 +/- 0.51   0.673% *  0.4356% (1.00   0.02   0.02) =   0.006%
          QD2   LEU   80 - HN    LEU   73   9.59 +/- 0.21   0.361% *  0.0970% (0.22   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    LEU   73  11.66 +/- 1.09   0.138% *  0.1791% (0.41   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU   73  12.09 +/- 0.61   0.093% *  0.1086% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 845 (0.39, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.508, support = 1.73, residual support = 2.47:
          QG1   VAL   42 - HN    LEU   73   4.19 +/- 0.41  86.153% * 36.7635% (0.45   1.71   3.07) =  78.676%  kept
          QB    ALA   64 - HN    LEU   73   5.83 +/- 0.27  13.728% * 62.5262% (0.73   1.80   0.24) =  21.323%  kept
          QB    ALA   47 - HN    LEU   73  13.12 +/- 0.22   0.101% *  0.5425% (0.57   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - HN    LEU   73  17.68 +/- 1.27   0.018% *  0.1678% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 846 (0.07, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 1.98, residual support = 10.5:
          QG2   VAL   43 - HN    LEU   73   4.08 +/- 0.20  92.488% * 91.9439% (0.25   1.99  10.58) =  99.680%  kept
          QD2   LEU   31 - HN    LEU   73   6.29 +/- 0.18   7.139% *  3.7048% (1.00   0.02   3.24) =   0.310%
          QG2   VAL   83 - HN    LEU   73  10.99 +/- 0.28   0.251% *  2.6903% (0.73   0.02   0.02) =   0.008%
          QD1   ILE   89 - HN    LEU   73  12.49 +/- 0.55   0.123% *  1.6610% (0.45   0.02   0.02) =   0.002%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 847 (2.84, 9.36, 127.59 ppm):
    4 chemical-shift based assignments, quality = 0.55, support = 4.24, residual support = 81.3:
      O   HB2   PHE   72 - HN    PHE   72   2.84 +/- 0.64  95.130% * 45.8712% (0.53   4.33  83.76) =  94.447%  kept
          HA    ALA   64 - HN    PHE   72   5.32 +/- 0.36   4.752% * 53.9869% (0.97   2.78  40.29) =   5.552%  kept
          HB3   ASN   69 - HN    PHE   72   9.60 +/- 0.29   0.107% *  0.0621% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    PHE   72  14.09 +/- 0.50   0.011% *  0.0797% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 5.29, residual support = 83.8:
      O   HB3   PHE   72 - HN    PHE   72   2.83 +/- 0.65  98.368% * 97.6229% (0.76   5.29  83.76) =  99.992%  kept
          QG    GLU-  15 - HN    PHE   72   6.70 +/- 1.44   1.384% *  0.4567% (0.95   0.02   0.02) =   0.007%
          HB2   ASP-  44 - HN    PHE   72   9.16 +/- 0.33   0.147% *  0.4188% (0.87   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    PHE   72  10.51 +/- 1.23   0.078% *  0.4033% (0.84   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   72  17.00 +/- 1.51   0.004% *  0.4330% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    PHE   72  15.43 +/- 0.67   0.008% *  0.1647% (0.34   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    PHE   72  14.71 +/- 1.20   0.009% *  0.0845% (0.18   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   72  21.58 +/- 0.73   0.001% *  0.3316% (0.69   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    PHE   72  21.10 +/- 0.49   0.001% *  0.0845% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 0.989, support = 3.4, residual support = 18.5:
          HG    LEU   71 - HN    PHE   72   4.54 +/- 0.65  58.777% * 91.8740% (0.99   3.51  19.13) =  96.546%  kept
          HG13  ILE   19 - HN    PHE   72   5.37 +/- 0.83  33.572% *  5.6765% (0.95   0.23   0.02) =   3.407%  kept
          QG2   THR   39 - HN    PHE   72   6.60 +/- 0.88   6.523% *  0.3414% (0.65   0.02   0.02) =   0.040%
          HG2   LYS+  74 - HN    PHE   72  10.39 +/- 0.70   0.415% *  0.5265% (1.00   0.02   0.02) =   0.004%
          HG3   LYS+  99 - HN    PHE   72  12.13 +/- 1.34   0.184% *  0.5277% (1.00   0.02   0.02) =   0.002%
          HG3   LYS+  38 - HN    PHE   72  14.55 +/- 1.95   0.357% *  0.1981% (0.38   0.02   0.02) =   0.001%
          QG2   ILE   56 - HN    PHE   72  12.09 +/- 0.51   0.150% *  0.1175% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    PHE   72  17.82 +/- 0.24   0.014% *  0.3414% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    PHE   72  21.45 +/- 0.68   0.005% *  0.2169% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    PHE   72  22.34 +/- 0.30   0.004% *  0.1800% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.06 A, kept.
 
    Peak 850 (0.96, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.27, residual support = 19.1:
          QD2   LEU   71 - HN    PHE   72   3.06 +/- 0.30  90.880% * 98.6468% (0.97   5.27  19.13) =  99.988%  kept
          QD1   LEU   67 - HN    PHE   72   6.24 +/- 1.32   8.618% *  0.1198% (0.31   0.02  35.09) =   0.012%
          QD2   LEU   40 - HN    PHE   72   7.84 +/- 0.29   0.372% *  0.1079% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    PHE   72  10.27 +/- 0.63   0.079% *  0.2042% (0.53   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    PHE   72  12.60 +/- 0.74   0.023% *  0.3745% (0.97   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    PHE   72  13.47 +/- 0.40   0.014% *  0.3872% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    PHE   72  13.33 +/- 0.24   0.015% *  0.1595% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 0.36, support = 1.5, residual support = 10.3:
          HA    VAL   18 - HN    PHE   72   3.43 +/- 0.23  92.269% * 26.9363% (0.31   1.50   6.69) =  89.484%  kept
          HA    VAL   70 - HN    PHE   72   5.78 +/- 0.15   4.185% * 69.2564% (0.80   1.49  41.74) =  10.436%  kept
          HA1   GLY   16 - HN    PHE   72   6.83 +/- 0.94   3.317% *  0.6123% (0.53   0.02   0.02) =   0.073%
          HB2   SER   37 - HN    PHE   72  10.70 +/- 0.52   0.112% *  1.0095% (0.87   0.02   0.02) =   0.004%
          HA    LYS+  33 - HN    PHE   72  11.25 +/- 0.45   0.083% *  0.5665% (0.49   0.02   0.02) =   0.002%
          HA    GLU-  29 - HN    PHE   72  13.59 +/- 0.48   0.026% *  0.3970% (0.34   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    PHE   72  18.00 +/- 0.50   0.005% *  0.9319% (0.80   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    PHE   72  20.57 +/- 0.62   0.002% *  0.2902% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 852 (2.20, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 6.1, residual support = 31.5:
          HB    VAL   70 - HN    LEU   71   3.97 +/- 0.08  94.798% * 98.9047% (0.98   6.10  31.48) =  99.994%  kept
          HB2   LYS+  38 - HN    LEU   71   9.41 +/- 1.42   4.268% *  0.0920% (0.28   0.02   0.02) =   0.004%
          QG    GLN   17 - HN    LEU   71  10.08 +/- 1.00   0.434% *  0.3300% (1.00   0.02   0.02) =   0.002%
          HB2   MET   96 - HN    LEU   71  10.92 +/- 0.29   0.225% *  0.2140% (0.65   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    LEU   71  10.71 +/- 0.50   0.261% *  0.0736% (0.22   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LEU   71  19.16 +/- 0.46   0.008% *  0.3278% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LEU   71  19.30 +/- 0.60   0.007% *  0.0579% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 853 (1.81, 8.15, 128.27 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 5.66, residual support = 126.4:
      O   HB2   LEU   71 - HN    LEU   71   2.65 +/- 0.28  97.715% * 98.2944% (0.98   5.66 126.38) =  99.996%  kept
          HB    VAL   41 - HN    LEU   71   5.61 +/- 0.93   2.196% *  0.1588% (0.45   0.02   2.75) =   0.004%
          QB    LYS+  66 - HN    LEU   71  10.24 +/- 0.24   0.034% *  0.2291% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU   71  11.64 +/- 0.30   0.016% *  0.3510% (0.99   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   71  11.36 +/- 0.85   0.020% *  0.1863% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   71  12.57 +/- 0.42   0.010% *  0.3534% (1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   71  12.81 +/- 0.62   0.009% *  0.1093% (0.31   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   71  21.22 +/- 0.78   0.000% *  0.3176% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 855 (1.24, 8.15, 128.27 ppm):
    10 chemical-shift based assignments, quality = 0.707, support = 0.0194, residual support = 28.7:
          QG2   THR   39 - HN    LEU   71   2.96 +/- 0.89  79.531% *  9.8331% (0.65   0.02   0.02) =  74.451%  kept
          HG    LEU   71 - HN    LEU   71   4.16 +/- 0.69  15.829% * 15.0657% (0.99   0.02 126.38) =  22.702%  kept
          HG3   LYS+  38 - HN    LEU   71  10.70 +/- 1.69   4.258% *  5.7048% (0.38   0.02   0.02) =   2.313%
          HG3   LYS+  99 - HN    LEU   71   8.13 +/- 1.39   0.235% * 15.2002% (1.00   0.02   0.02) =   0.340%
          HG13  ILE   19 - HN    LEU   71   8.61 +/- 0.99   0.133% * 14.3788% (0.95   0.02   0.02) =   0.182%
          HG2   LYS+  74 - HN    LEU   71  13.98 +/- 0.71   0.006% * 15.1664% (1.00   0.02   0.02) =   0.009%
          QG2   ILE   56 - HN    LEU   71  14.24 +/- 0.56   0.006% *  3.3841% (0.22   0.02   0.02) =   0.002%
          QB    ALA   91 - HN    LEU   71  19.88 +/- 0.69   0.001% *  9.8331% (0.65   0.02   0.02) =   0.001%
          HG12  ILE   89 - HN    LEU   71  23.03 +/- 0.84   0.000% *  6.2490% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    LEU   71  23.62 +/- 0.28   0.000% *  5.1849% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 1 structures by 0.06 A, kept.
 
    Peak 856 (0.86, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.92, support = 5.34, residual support = 71.0:
          QG1   VAL   70 - HN    LEU   71   4.05 +/- 0.10  53.981% * 53.1429% (0.98   5.29  31.48) =  58.331%  kept
          QD1   LEU   71 - HN    LEU   71   4.19 +/- 0.14  44.351% * 46.2002% (0.84   5.40 126.38) =  41.663%  kept
          QG1   VAL   18 - HN    LEU   71   8.01 +/- 0.68   1.018% *  0.2048% (1.00   0.02   0.02) =   0.004%
          HB3   LEU   63 - HN    LEU   71   9.25 +/- 0.86   0.419% *  0.1407% (0.69   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    LEU   71  11.64 +/- 0.81   0.104% *  0.1711% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    LEU   71  11.23 +/- 0.39   0.121% *  0.0997% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    LEU   71  18.88 +/- 0.35   0.005% *  0.0405% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 857 (0.19, 8.15, 128.27 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 6.14, residual support = 31.5:
          QG2   VAL   70 - HN    LEU   71   2.24 +/- 0.11 100.000% *100.0000% (0.73   6.14  31.48) = 100.000%  kept
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 858 (2.19, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 81.7:
      O   HB    VAL   70 - HN    VAL   70   2.52 +/- 0.12  99.905% * 98.3056% (0.76   4.31  81.72) = 100.000%  kept
          QG    GLN   17 - HN    VAL   70   9.09 +/- 0.85   0.065% *  0.4982% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   70  11.82 +/- 1.25   0.026% *  0.3377% (0.57   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   70  13.93 +/- 0.31   0.004% *  0.2035% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   70  22.87 +/- 0.59   0.000% *  0.5506% (0.92   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   70  19.45 +/- 0.68   0.001% *  0.1045% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 859 (1.44, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.799, support = 0.356, residual support = 0.354:
          HB3   LEU   67 - HN    VAL   70   3.12 +/- 0.45  89.648% * 26.6284% (0.87   0.24   0.35) =  82.198%  kept
          HG    LEU   67 - HN    VAL   70   5.01 +/- 0.55   9.011% * 57.1133% (0.49   0.91   0.35) =  17.720%  kept
          HG    LEU   40 - HN    VAL   70   7.00 +/- 0.62   0.934% *  1.5701% (0.61   0.02  33.04) =   0.050%
          QG    LYS+  66 - HN    VAL   70   8.99 +/- 0.30   0.185% *  2.5374% (0.98   0.02   0.02) =   0.016%
          HG    LEU   73 - HN    VAL   70  10.21 +/- 0.26   0.089% *  2.5658% (0.99   0.02   0.02) =   0.008%
          QB    ALA   61 - HN    VAL   70  11.27 +/- 0.35   0.050% *  1.8798% (0.73   0.02   0.02) =   0.003%
          HG12  ILE   19 - HN    VAL   70  10.64 +/- 0.44   0.072% *  1.0642% (0.41   0.02   0.02) =   0.003%
          HG2   LYS+ 102 - HN    VAL   70  17.52 +/- 0.69   0.003% *  2.4488% (0.95   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    VAL   70  17.10 +/- 0.79   0.004% *  1.5701% (0.61   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    VAL   70  18.48 +/- 0.35   0.003% *  1.2601% (0.49   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    VAL   70  21.62 +/- 1.03   0.001% *  1.3620% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 860 (0.86, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 4.85, residual support = 81.7:
          QG1   VAL   70 - HN    VAL   70   2.28 +/- 0.29  99.707% * 98.2401% (0.92   4.85  81.72) =  99.999%  kept
          QD1   LEU   71 - HN    VAL   70   7.07 +/- 0.18   0.156% *  0.4387% (1.00   0.02  31.48) =   0.001%
          QG1   VAL   18 - HN    VAL   70   9.14 +/- 0.57   0.036% *  0.3664% (0.84   0.02   0.02) =   0.000%
          QD1   LEU  123 - HN    VAL   70   9.47 +/- 0.83   0.028% *  0.4387% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    VAL   70   8.16 +/- 0.75   0.068% *  0.1496% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    VAL   70  12.30 +/- 0.56   0.005% *  0.3664% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 81.7:
          QG2   VAL   70 - HN    VAL   70   3.77 +/- 0.05 100.000% *100.0000% (0.98   3.89  81.72) = 100.000%  kept
    Distance limit 4.05 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 = 59.8:
      O   HB2   ASN   69 - HD22  ASN   69   3.59 +/- 0.05  99.675% * 98.4374% (0.55   2.99  59.79) =  99.999%  kept
          QE    LYS+  66 - HD22  ASN   69  10.66 +/- 1.61   0.230% *  0.1496% (0.12   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD22  ASN   69  13.51 +/- 2.90   0.092% *  0.1496% (0.12   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD22  ASN   69  24.09 +/- 0.88   0.001% *  0.6719% (0.56   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   69  28.36 +/- 0.84   0.000% *  0.4879% (0.41   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD22  ASN   69  22.64 +/- 1.33   0.002% *  0.1037% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 863 (0.86, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.56, support = 3.29, residual support = 26.3:
          QG1   VAL   70 - HD22  ASN   69   2.89 +/- 0.77  99.199% * 97.6062% (0.56   3.29  26.28) =  99.996%  kept
          QD1   LEU  123 - HD22  ASN   69   8.69 +/- 1.39   0.465% *  0.5619% (0.53   0.02   0.02) =   0.003%
          QD1   LEU   71 - HD22  ASN   69   9.44 +/- 1.03   0.140% *  0.5619% (0.53   0.02   0.02) =   0.001%
          HB3   LEU   63 - HD22  ASN   69   9.91 +/- 0.93   0.130% *  0.3125% (0.30   0.02   0.02) =   0.000%
          QG1   VAL   18 - HD22  ASN   69  12.09 +/- 0.75   0.033% *  0.5732% (0.54   0.02   0.02) =   0.000%
          HB3   LEU  104 - HD22  ASN   69  11.66 +/- 1.18   0.033% *  0.3843% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 864 (4.99, 8.82, 114.58 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 3.02, residual support = 3.02:
          HA    LEU   67 - HN    ASN   69   3.31 +/- 0.55 100.000% *100.0000% (0.92   3.02   3.02) = 100.000%  kept
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 865 (3.74, 8.82, 114.58 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.98, residual support = 27.3:
          HD2   PRO   68 - HN    ASN   69   3.22 +/- 0.57  99.931% * 99.1844% (0.80   5.98  27.33) = 100.000%  kept
          HA    ALA   61 - HN    ASN   69  12.04 +/- 0.80   0.062% *  0.3920% (0.95   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASN   69  18.61 +/- 0.62   0.004% *  0.2681% (0.65   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ASN   69  19.39 +/- 0.32   0.003% *  0.1555% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 5.98, residual support = 27.3:
          HD3   PRO   68 - HN    ASN   69   3.08 +/- 0.70  99.986% * 98.4660% (0.99   5.98  27.33) = 100.000%  kept
          HB2   PHE   59 - HN    ASN   69  15.88 +/- 0.60   0.009% *  0.2540% (0.76   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASN   69  21.18 +/- 0.65   0.002% *  0.3208% (0.97   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASN   69  22.95 +/- 0.70   0.001% *  0.3208% (0.97   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASN   69  23.36 +/- 1.03   0.001% *  0.3068% (0.92   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASN   69  25.14 +/- 0.52   0.001% *  0.3316% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.70 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 = 0.426, support = 0.0198, residual support = 0.0198:
          HA    ALA   64 - HN    ASN   69   6.76 +/- 0.63  90.597% * 14.1837% (0.31   0.02   0.02) =  77.301%  kept
          QE    LYS+  66 - HN    ASN   69  10.04 +/- 0.59   8.995% * 39.8620% (0.87   0.02   0.02) =  21.569%  kept
          HB3   ASN   35 - HN    ASN   69  17.20 +/- 0.67   0.409% * 45.9543% (1.00   0.02   0.02) =   1.130%
    Distance limit 3.90 A violated in 20 structures by 2.75 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 = 26.3:
          HB    VAL   70 - HN    ASN   69   4.36 +/- 0.17  98.622% * 89.1802% (0.15   3.84  26.28) =  99.985%  kept
          HB2   LYS+  38 - HN    ASN   69  12.72 +/- 1.24   0.217% *  2.9823% (0.99   0.02   0.02) =   0.007%
          QG    GLN   17 - HN    ASN   69   9.69 +/- 0.92   1.059% *  0.5955% (0.20   0.02   0.02) =   0.007%
          QB    GLU-  36 - HN    ASN   69  14.80 +/- 0.72   0.071% *  0.5269% (0.18   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ASN   69  18.70 +/- 0.52   0.016% *  1.2370% (0.41   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ASN   69  21.25 +/- 0.63   0.008% *  2.4093% (0.80   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ASN   69  24.78 +/- 0.57   0.003% *  0.8366% (0.28   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ASN   69  24.03 +/- 0.44   0.004% *  0.4072% (0.14   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   69  30.96 +/- 0.49   0.001% *  1.8250% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 869 (2.03, 8.82, 114.58 ppm):
    14 chemical-shift based assignments, quality = 0.871, support = 6.03, residual support = 27.3:
      O   HB3   PRO   68 - HN    ASN   69   4.32 +/- 0.29  44.138% * 86.3495% (0.99   6.04  27.33) =  85.906%  kept
          HG2   PRO   68 - HN    ASN   69   4.18 +/- 0.84  52.982% * 11.7905% (0.14   6.04  27.33) =  14.080%  kept
          QB    GLU-  15 - HN    ASN   69   7.47 +/- 0.92   2.476% *  0.2096% (0.73   0.02   0.02) =   0.012%
          HB2   GLN   17 - HN    ASN   69  11.73 +/- 0.85   0.155% *  0.2096% (0.73   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    ASN   69  13.73 +/- 0.50   0.049% *  0.1634% (0.57   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASN   69  15.09 +/- 0.94   0.031% *  0.2504% (0.87   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASN   69  12.08 +/- 0.34   0.112% *  0.0506% (0.18   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ASN   69  15.40 +/- 0.68   0.027% *  0.1634% (0.57   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASN   69  16.04 +/- 0.93   0.017% *  0.1868% (0.65   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASN   69  23.58 +/- 0.73   0.002% *  0.2312% (0.80   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASN   69  20.03 +/- 0.77   0.005% *  0.0643% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASN   69  24.82 +/- 0.74   0.001% *  0.1519% (0.53   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASN   69  24.00 +/- 0.39   0.002% *  0.0985% (0.34   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASN   69  23.85 +/- 0.72   0.002% *  0.0803% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 5.52, residual support = 27.3:
          HG3   PRO   68 - HN    ASN   69   3.54 +/- 0.27  99.732% * 92.7956% (0.38   5.52  27.33) =  99.998%  kept
          HB3   LYS+  38 - HN    ASN   69  13.29 +/- 1.59   0.116% *  0.8472% (0.95   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ASN   69  11.98 +/- 0.90   0.085% *  0.5432% (0.61   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASN   69  15.15 +/- 0.64   0.019% *  0.7171% (0.80   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASN   69  14.71 +/- 0.46   0.022% *  0.4359% (0.49   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASN   69  17.51 +/- 0.39   0.008% *  0.7171% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASN   69  17.41 +/- 0.68   0.008% *  0.4015% (0.45   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASN   69  20.90 +/- 0.67   0.003% *  0.8936% (1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASN   69  19.11 +/- 0.52   0.005% *  0.3682% (0.41   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASN   69  23.30 +/- 0.83   0.001% *  0.4015% (0.45   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASN   69  25.35 +/- 0.82   0.001% *  0.5794% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASN   69  27.52 +/- 0.39   0.000% *  0.6844% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASN   69  30.81 +/- 0.44   0.000% *  0.6152% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 871 (0.87, 8.82, 114.58 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 4.46, residual support = 26.3:
          QG1   VAL   70 - HN    ASN   69   3.04 +/- 0.35  99.301% * 97.9112% (0.73   4.47  26.28) =  99.997%  kept
          HB3   LEU   63 - HN    ASN   69   9.17 +/- 0.63   0.178% *  0.5829% (0.97   0.02   0.02) =   0.001%
          QD1   LEU   71 - HN    ASN   69   8.54 +/- 0.30   0.247% *  0.2940% (0.49   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    ASN   69   9.21 +/- 0.86   0.185% *  0.2940% (0.49   0.02   0.02) =   0.001%
          QG1   VAL   18 - HN    ASN   69  10.60 +/- 0.55   0.072% *  0.5045% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    ASN   69  13.33 +/- 0.57   0.016% *  0.1195% (0.20   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    ASN   69  21.36 +/- 0.34   0.001% *  0.2940% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 872 (3.75, 7.34, 119.88 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 4.0, residual support = 18.6:
          HD2   PRO   68 - HN    LEU   67   3.84 +/- 0.70  87.478% * 99.0352% (1.00   4.00  18.59) =  99.986%  kept
          HA    ALA   61 - HN    LEU   67   7.51 +/- 0.31   1.954% *  0.4792% (0.97   0.02   0.02) =   0.011%
          HA    VAL   24 - HE3   TRP   27   5.74 +/- 0.12  10.451% *  0.0213% (0.04   0.02  22.86) =   0.003%
          HD3   PRO   58 - HN    LEU   67  13.62 +/- 0.41   0.056% *  0.1532% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HE3   TRP   27  14.88 +/- 0.39   0.036% *  0.0602% (0.12   0.02   0.02) =   0.000%
          HD2   PRO   68 - HE3   TRP   27  18.71 +/- 0.69   0.011% *  0.0623% (0.13   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LEU   67  22.48 +/- 0.43   0.003% *  0.1694% (0.34   0.02   0.02) =   0.000%
          HD3   PRO   58 - HE3   TRP   27  18.12 +/- 0.37   0.011% *  0.0193% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 3 structures by 0.06 A, kept.
 
    Peak 873 (3.34, 7.34, 119.88 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.21, residual support = 18.6:
          HD3   PRO   68 - HN    LEU   67   4.02 +/- 0.51  99.557% * 97.3378% (0.76   4.21  18.59) =  99.999%  kept
          HB2   PHE   59 - HN    LEU   67  11.18 +/- 0.56   0.268% *  0.2486% (0.41   0.02   0.02) =   0.001%
          QB    PHE   55 - HN    LEU   67  16.80 +/- 0.48   0.023% *  0.4154% (0.69   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   67  18.46 +/- 0.96   0.014% *  0.5928% (0.98   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   67  18.78 +/- 0.64   0.012% *  0.5721% (0.95   0.02   0.02) =   0.000%
          HB3   CYS   53 - HE3   TRP   27  15.49 +/- 0.62   0.037% *  0.0719% (0.12   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   67  21.30 +/- 0.59   0.005% *  0.4843% (0.80   0.02   0.02) =   0.000%
          HD3   PRO   93 - HE3   TRP   27  16.38 +/- 0.28   0.027% *  0.0609% (0.10   0.02   0.02) =   0.000%
          HB2   PHE   59 - HE3   TRP   27  16.29 +/- 0.36   0.028% *  0.0313% (0.05   0.02   0.02) =   0.000%
          QB    PHE   55 - HE3   TRP   27  18.60 +/- 0.71   0.013% *  0.0522% (0.09   0.02   0.02) =   0.000%
          HD3   PRO   68 - HE3   TRP   27  18.91 +/- 0.35   0.011% *  0.0581% (0.10   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HE3   TRP   27  21.04 +/- 1.19   0.006% *  0.0745% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 0.64, support = 1.39, residual support = 4.64:
          HA    ALA   64 - HN    LEU   67   3.29 +/- 0.21  97.953% * 24.0127% (0.65   1.19   4.27) =  93.992%  kept
          QE    LYS+  66 - HN    LEU   67   6.43 +/- 0.25   1.996% * 75.3069% (0.53   4.58  10.46) =   6.008%  kept
          HB3   ASN   35 - HE3   TRP   27  12.95 +/- 0.34   0.028% *  0.0657% (0.10   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    LEU   67  20.09 +/- 0.57   0.002% *  0.5225% (0.84   0.02   0.02) =   0.000%
          HA    ALA   64 - HE3   TRP   27  13.75 +/- 0.31   0.019% *  0.0509% (0.08   0.02   0.02) =   0.000%
          QE    LYS+  66 - HE3   TRP   27  20.39 +/- 0.51   0.002% *  0.0414% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 875 (1.98, 7.34, 119.88 ppm):
    18 chemical-shift based assignments, quality = 0.606, support = 5.13, residual support = 62.0:
      O   HB2   LEU   67 - HN    LEU   67   2.73 +/- 0.32  96.878% * 96.9315% (0.61   5.13  62.04) =  99.989%  kept
          HG2   PRO   68 - HN    LEU   67   5.44 +/- 0.58   2.275% *  0.4033% (0.65   0.02  18.59) =   0.010%
          HB    VAL   18 - HN    LEU   67   8.18 +/- 0.54   0.165% *  0.2127% (0.34   0.02   0.02) =   0.000%
          HB    ILE   19 - HE3   TRP   27   6.69 +/- 0.28   0.559% *  0.0444% (0.07   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU   67  11.89 +/- 0.32   0.018% *  0.3530% (0.57   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LEU   67  14.50 +/- 0.45   0.006% *  0.6017% (0.97   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LEU   67  15.14 +/- 0.68   0.004% *  0.5898% (0.95   0.02   0.02) =   0.000%
          HB    VAL   18 - HE3   TRP   27  10.36 +/- 0.44   0.039% *  0.0267% (0.04   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    LEU   67  16.75 +/- 1.00   0.003% *  0.3035% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE3   TRP   27  10.16 +/- 0.16   0.045% *  0.0155% (0.02   0.02   0.02) =   0.000%
          HB2   LEU   67 - HE3   TRP   27  15.15 +/- 0.31   0.004% *  0.0475% (0.08   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   67  19.79 +/- 0.35   0.001% *  0.0962% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  115 - HE3   TRP   27  19.77 +/- 0.64   0.001% *  0.0741% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   58 - HE3   TRP   27  20.58 +/- 0.44   0.001% *  0.0756% (0.12   0.02   0.02) =   0.000%
          HG2   PRO   68 - HE3   TRP   27  19.85 +/- 0.54   0.001% *  0.0507% (0.08   0.02   0.02) =   0.000%
          QB    GLU- 114 - HE3   TRP   27  19.75 +/- 0.75   0.001% *  0.0382% (0.06   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   67  25.45 +/- 0.52   0.000% *  0.1234% (0.20   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HE3   TRP   27  20.39 +/- 0.59   0.001% *  0.0121% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.94, support = 4.33, residual support = 10.1:
          QB    LYS+  66 - HN    LEU   67   3.22 +/- 0.32  88.619% * 75.3535% (0.95   4.43  10.46) =  96.582%  kept
          QB    LYS+  65 - HN    LEU   67   4.68 +/- 0.11  10.479% * 22.5427% (0.76   1.64   0.02) =   3.417%  kept
          HG    LEU  123 - HN    LEU   67   9.63 +/- 0.55   0.145% *  0.1350% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LEU   67  10.68 +/- 0.32   0.069% *  0.2611% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   67   9.71 +/- 0.62   0.156% *  0.0801% (0.22   0.02   0.02) =   0.000%
          HB    VAL   41 - HE3   TRP   27   8.76 +/- 0.64   0.265% *  0.0362% (0.10   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU   67  12.89 +/- 0.55   0.023% *  0.2880% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   71 - HE3   TRP   27   9.38 +/- 0.59   0.178% *  0.0328% (0.09   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   67  17.22 +/- 0.74   0.004% *  0.3120% (0.87   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   67  17.58 +/- 1.10   0.004% *  0.2326% (0.65   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   67  19.74 +/- 1.00   0.002% *  0.3564% (0.99   0.02   0.02) =   0.000%
          HG12  ILE  103 - HE3   TRP   27  13.46 +/- 0.78   0.019% *  0.0292% (0.08   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HE3   TRP   27  16.29 +/- 0.75   0.006% *  0.0392% (0.11   0.02   0.02) =   0.000%
          HG2   PRO   93 - HE3   TRP   27  17.17 +/- 0.56   0.004% *  0.0448% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  66 - HE3   TRP   27  17.16 +/- 0.38   0.004% *  0.0428% (0.12   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   67  20.96 +/- 0.91   0.001% *  0.1350% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  65 - HE3   TRP   27  16.89 +/- 0.37   0.005% *  0.0345% (0.10   0.02   0.02) =   0.000%
          HB3   GLN   17 - HE3   TRP   27  13.90 +/- 0.77   0.015% *  0.0101% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   52 - HE3   TRP   27  19.86 +/- 0.98   0.002% *  0.0170% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - HE3   TRP   27  23.40 +/- 0.81   0.001% *  0.0170% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.01 A, kept.
 
    Peak 877 (1.46, 7.34, 119.88 ppm):
    22 chemical-shift based assignments, quality = 0.87, support = 5.56, residual support = 59.5:
          HG    LEU   67 - HN    LEU   67   3.55 +/- 1.00  49.454% * 62.5706% (1.00   5.70  62.04) =  81.824%  kept
      O   HB3   LEU   67 - HN    LEU   67   3.57 +/- 0.40  37.271% * 13.4916% (0.25   4.92  62.04) =  13.297%  kept
          QG    LYS+  66 - HN    LEU   67   4.56 +/- 0.18   8.166% * 22.5811% (0.41   4.99  10.46) =   4.876%  kept
          HG    LEU   73 - HE3   TRP   27   5.15 +/- 0.30   4.464% *  0.0168% (0.08   0.02  10.05) =   0.002%
          HG    LEU   40 - HN    LEU   67   9.18 +/- 0.60   0.128% *  0.2181% (0.99   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    LEU   67   7.82 +/- 0.22   0.319% *  0.0340% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU   67   9.97 +/- 0.85   0.075% *  0.0987% (0.45   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   67  11.43 +/- 0.59   0.032% *  0.1512% (0.69   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   67  12.23 +/- 0.32   0.021% *  0.1335% (0.61   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   67  13.74 +/- 0.88   0.011% *  0.2181% (0.99   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   67  14.04 +/- 0.90   0.010% *  0.1512% (0.69   0.02   0.02) =   0.000%
          HG    LEU   40 - HE3   TRP   27  13.21 +/- 1.00   0.015% *  0.0274% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   67  20.39 +/- 1.08   0.001% *  0.1598% (0.73   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE3   TRP   27  14.71 +/- 0.68   0.007% *  0.0124% (0.06   0.02   0.02) =   0.000%
          HG    LEU   67 - HE3   TRP   27  16.65 +/- 0.59   0.003% *  0.0276% (0.13   0.02   0.02) =   0.000%
          HB3   LEU  115 - HE3   TRP   27  18.59 +/- 0.92   0.002% *  0.0274% (0.12   0.02   0.02) =   0.000%
          QB    ALA   61 - HE3   TRP   27  13.82 +/- 0.35   0.010% *  0.0043% (0.02   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE3   TRP   27  18.48 +/- 1.03   0.002% *  0.0201% (0.09   0.02   0.02) =   0.000%
          HB3   LEU   67 - HE3   TRP   27  15.52 +/- 0.57   0.005% *  0.0069% (0.03   0.02   0.02) =   0.000%
          QG    LYS+  66 - HE3   TRP   27  18.51 +/- 0.58   0.002% *  0.0114% (0.05   0.02   0.02) =   0.000%
          HG    LEU  115 - HE3   TRP   27  20.41 +/- 1.21   0.001% *  0.0190% (0.09   0.02   0.02) =   0.000%
          QB    ALA  120 - HE3   TRP   27  20.98 +/- 0.46   0.001% *  0.0190% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 878 (0.96, 7.34, 119.88 ppm):
    14 chemical-shift based assignments, quality = 0.308, support = 4.28, residual support = 62.0:
          QD1   LEU   67 - HN    LEU   67   3.77 +/- 0.41  94.785% * 93.3505% (0.31   4.28  62.04) =  99.951%  kept
          QG2   ILE  119 - HN    LEU   67   7.66 +/- 0.81   1.973% *  1.3646% (0.97   0.02   0.02) =   0.030%
          QD2   LEU   71 - HN    LEU   67   8.47 +/- 0.29   0.829% *  1.3646% (0.97   0.02   0.02) =   0.013%
          QD2   LEU   40 - HN    LEU   67   8.95 +/- 0.42   0.638% *  0.3931% (0.28   0.02   0.02) =   0.003%
          QD2   LEU   71 - HE3   TRP   27   8.84 +/- 0.41   0.689% *  0.1715% (0.12   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HE3   TRP   27   9.08 +/- 0.28   0.570% *  0.0935% (0.07   0.02   0.02) =   0.001%
          QD1   ILE  103 - HN    LEU   67  16.01 +/- 0.55   0.019% *  1.4108% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU   67  14.27 +/- 0.95   0.036% *  0.7439% (0.53   0.02   0.02) =   0.000%
          QD1   ILE  103 - HE3   TRP   27  11.75 +/- 0.64   0.125% *  0.1773% (0.13   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    LEU   67  14.57 +/- 0.60   0.034% *  0.5813% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   40 - HE3   TRP   27  11.26 +/- 0.59   0.160% *  0.0494% (0.03   0.02   0.02) =   0.000%
          QD1   LEU   67 - HE3   TRP   27  12.81 +/- 0.86   0.077% *  0.0549% (0.04   0.02   0.02) =   0.000%
          QG2   ILE  103 - HE3   TRP   27  13.36 +/- 0.56   0.056% *  0.0731% (0.05   0.02   0.02) =   0.000%
          QG2   ILE  119 - HE3   TRP   27  17.93 +/- 0.80   0.010% *  0.1715% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 879 (3.95, 7.27, 117.25 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 5.94, residual support = 27.5:
      O   HA    LYS+  65 - HN    LYS+  66   3.53 +/- 0.04  99.030% * 96.4795% (0.61   5.94  27.52) =  99.996%  kept
          HA2   GLY   16 - HN    LYS+  66   8.06 +/- 0.55   0.773% *  0.3678% (0.69   0.02   0.02) =   0.003%
          HA    ALA  120 - HN    LYS+  66  10.72 +/- 0.45   0.130% *  0.5168% (0.97   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    LYS+  66  13.37 +/- 0.40   0.034% *  0.4803% (0.90   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  66  14.37 +/- 0.40   0.022% *  0.3032% (0.57   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  66  18.19 +/- 0.23   0.005% *  0.5066% (0.95   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  66  20.38 +/- 1.08   0.003% *  0.5308% (0.99   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  66  21.70 +/- 0.32   0.002% *  0.4473% (0.84   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  66  27.52 +/- 0.28   0.000% *  0.3678% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 6.08:
          HA    LEU   63 - HN    LYS+  66   3.22 +/- 0.15  99.998% * 98.5946% (0.99   1.61   6.08) = 100.000%  kept
          HB2   HIS   22 - HN    LYS+  66  22.44 +/- 0.43   0.001% *  0.8504% (0.69   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    LYS+  66  21.75 +/- 0.36   0.001% *  0.5550% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 0.883, support = 4.14, residual support = 16.3:
          HA    ALA   64 - HN    LYS+  66   4.10 +/- 0.26  75.724% * 75.9936% (0.95   4.03   7.08) =  91.276%  kept
          QE    LYS+  66 - HN    LYS+  66   5.08 +/- 0.32  23.181% * 23.7234% (0.22   5.34 112.80) =   8.723%  kept
          HB2   PHE   72 - HN    LYS+  66   8.31 +/- 0.34   1.092% *  0.0888% (0.22   0.02   0.02) =   0.002%
          HB3   ASN   35 - HN    LYS+  66  22.05 +/- 0.56   0.003% *  0.1942% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 882 (1.81, 7.27, 117.25 ppm):
    8 chemical-shift based assignments, quality = 0.734, support = 5.27, residual support = 91.1:
      O   QB    LYS+  66 - HN    LYS+  66   2.25 +/- 0.12  84.462% * 34.7492% (0.65   5.01 112.80) =  74.608%  kept
          QB    LYS+  65 - HN    LYS+  66   3.02 +/- 0.13  15.521% * 64.3589% (0.99   6.05  27.52) =  25.392%  kept
          HB3   GLN   17 - HN    LYS+  66   9.99 +/- 0.65   0.012% *  0.1129% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  66  12.52 +/- 0.21   0.003% *  0.2103% (0.98   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  66  14.48 +/- 0.30   0.001% *  0.0962% (0.45   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  66  18.52 +/- 0.42   0.000% *  0.2140% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  66  18.75 +/- 0.88   0.000% *  0.1924% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  66  18.64 +/- 0.87   0.000% *  0.0662% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 0.439, support = 3.99, residual support = 72.0:
          QG    LYS+  66 - HN    LYS+  66   3.04 +/- 0.45  85.210% * 19.9280% (0.15   4.55 112.80) =  60.133%  kept
          HG    LEU   67 - HN    LYS+  66   5.26 +/- 1.24  14.587% * 77.1719% (0.87   3.14  10.46) =  39.864%  kept
          QB    ALA  120 - HN    LYS+  66  10.80 +/- 0.39   0.050% *  0.5476% (0.97   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    LYS+  66  10.79 +/- 0.27   0.050% *  0.4337% (0.76   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    LYS+  66  11.81 +/- 0.96   0.031% *  0.4544% (0.80   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  66  12.60 +/- 0.75   0.022% *  0.5476% (0.97   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LYS+  66  12.59 +/- 0.65   0.019% *  0.4337% (0.76   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+  66  13.44 +/- 0.26   0.013% *  0.1578% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  66  12.71 +/- 0.47   0.018% *  0.1123% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LYS+  66  21.93 +/- 1.05   0.001% *  0.2130% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 884 (0.40, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.07, residual support = 7.08:
          QB    ALA   64 - HN    LYS+  66   4.32 +/- 0.11 100.000% *100.0000% (0.95   3.07   7.08) = 100.000%  kept
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 885 (3.96, 6.90, 114.80 ppm):
    12 chemical-shift based assignments, quality = 0.638, support = 6.07, residual support = 160.4:
      O   HA    LYS+  65 - HN    LYS+  65   2.84 +/- 0.03  99.537% * 97.7983% (0.64   6.07 160.36) =  99.998%  kept
          HA2   GLY   16 - HN    LYS+  65   7.24 +/- 0.66   0.435% *  0.3371% (0.67   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    LYS+  65  12.61 +/- 0.46   0.013% *  0.3304% (0.65   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  65  15.12 +/- 0.37   0.004% *  0.1977% (0.39   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  65  17.43 +/- 0.25   0.002% *  0.2260% (0.45   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  65  18.48 +/- 1.17   0.001% *  0.2669% (0.53   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  65  15.24 +/- 0.41   0.004% *  0.0871% (0.17   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  65  19.91 +/- 0.39   0.001% *  0.1700% (0.34   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  65  20.62 +/- 0.88   0.001% *  0.1191% (0.24   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  65  26.16 +/- 0.32   0.000% *  0.3371% (0.67   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  65  21.61 +/- 0.44   0.001% *  0.0691% (0.14   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  65  28.61 +/- 0.36   0.000% *  0.0612% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 886 (2.85, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.654, support = 4.63, residual support = 26.7:
      O   HA    ALA   64 - HN    LYS+  65   3.59 +/- 0.03  95.364% * 99.5763% (0.65   4.63  26.66) =  99.995%  kept
          QE    LYS+  66 - HN    LYS+  65   6.58 +/- 0.56   2.939% *  0.1012% (0.15   0.02  27.52) =   0.003%
          HB2   PHE   72 - HN    LYS+  65   7.12 +/- 0.35   1.695% *  0.1012% (0.15   0.02   0.02) =   0.002%
          HB3   ASN   35 - HN    LYS+  65  22.06 +/- 0.51   0.002% *  0.2213% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (1.82, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.528, support = 6.87, residual support = 160.3:
      O   QB    LYS+  65 - HN    LYS+  65   2.22 +/- 0.07  98.121% * 97.7843% (0.53   6.87 160.36) =  99.993%  kept
          QB    LYS+  66 - HN    LYS+  65   4.35 +/- 0.18   1.813% *  0.3522% (0.65   0.02  27.52) =   0.007%
          HB3   GLN   17 - HN    LYS+  65   8.09 +/- 0.76   0.053% *  0.0829% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  65  12.27 +/- 0.32   0.004% *  0.2703% (0.50   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  65  11.06 +/- 0.60   0.007% *  0.1397% (0.26   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  65  14.40 +/- 0.45   0.001% *  0.2981% (0.55   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  65  17.68 +/- 0.91   0.000% *  0.3690% (0.68   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  65  19.37 +/- 0.42   0.000% *  0.3229% (0.60   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  65  18.97 +/- 0.92   0.000% *  0.2408% (0.45   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  65  18.39 +/- 0.61   0.000% *  0.1397% (0.26   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 5.44, residual support = 160.3:
          HG2   LYS+  65 - HN    LYS+  65   3.08 +/- 0.24  97.652% * 91.3064% (0.14   5.44 160.36) =  99.976%  kept
          HG    LEU   67 - HN    LYS+  65   6.77 +/- 1.36   2.132% *  0.8919% (0.36   0.02   0.02) =   0.021%
          HB2   LYS+  74 - HN    LYS+  65  10.78 +/- 0.51   0.059% *  0.8251% (0.34   0.02   0.02) =   0.001%
          QB    ALA  120 - HN    LYS+  65  12.24 +/- 0.42   0.029% *  1.6036% (0.65   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    LYS+  65  12.85 +/- 0.92   0.026% *  1.6914% (0.69   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  65  12.61 +/- 0.89   0.027% *  1.6036% (0.65   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LYS+  65  11.56 +/- 0.44   0.037% *  0.6969% (0.28   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LYS+  65  12.53 +/- 0.68   0.026% *  0.6969% (0.28   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  65  15.47 +/- 0.47   0.006% *  0.4227% (0.17   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+  65  16.23 +/- 0.91   0.005% *  0.2616% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 890 (1.35, 6.90, 114.80 ppm):
    17 chemical-shift based assignments, quality = 0.196, support = 4.97, residual support = 148.7:
          HG3   LYS+  65 - HN    LYS+  65   3.12 +/- 0.25  93.464% * 43.1085% (0.17   5.19 160.36) =  92.702%  kept
          HB2   LEU   63 - HN    LYS+  65   5.02 +/- 0.19   6.182% * 51.2942% (0.50   2.12   1.19) =   7.296%  kept
          HB3   ASP-  44 - HN    LYS+  65  10.24 +/- 0.29   0.082% *  0.5565% (0.58   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  65   8.84 +/- 0.47   0.211% *  0.1661% (0.17   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LYS+  65  14.36 +/- 0.40   0.011% *  0.6303% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+  65  15.63 +/- 0.59   0.006% *  0.6604% (0.68   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  65  16.08 +/- 1.00   0.006% *  0.6604% (0.68   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+  65  13.32 +/- 0.41   0.017% *  0.2056% (0.21   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  65  17.22 +/- 0.66   0.004% *  0.3505% (0.36   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  65  17.16 +/- 0.54   0.004% *  0.2739% (0.28   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  65  20.54 +/- 0.29   0.001% *  0.6648% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LYS+  65  16.94 +/- 0.46   0.004% *  0.1167% (0.12   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  65  20.99 +/- 0.40   0.001% *  0.4041% (0.42   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  65  17.89 +/- 1.22   0.003% *  0.1319% (0.14   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LYS+  65  20.39 +/- 0.47   0.001% *  0.2987% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  65  20.20 +/- 0.34   0.001% *  0.2501% (0.26   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  65  23.35 +/- 0.66   0.001% *  0.2273% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 891 (0.40, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.654, support = 4.63, residual support = 26.7:
          QB    ALA   64 - HN    LYS+  65   2.66 +/- 0.21 100.000% *100.0000% (0.65   4.63  26.66) = 100.000%  kept
    Distance limit 3.42 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 = 6.76:
          HA    ALA   61 - HN    ALA   64   3.66 +/- 0.09  98.643% * 95.1123% (0.95   0.75   6.76) =  99.971%  kept
          HD2   PRO   68 - HN    ALA   64   8.03 +/- 0.57   1.007% *  2.1470% (0.80   0.02   0.02) =   0.023%
          HD3   PRO   58 - HN    ALA   64   9.55 +/- 0.20   0.319% *  1.7345% (0.65   0.02   0.02) =   0.006%
          HA    VAL   75 - HN    ALA   64  14.11 +/- 0.25   0.031% *  1.0063% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.24 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   2.79 +/- 0.04  97.998% * 99.5354% (0.95   4.22  20.76) =  99.998%  kept
          HB2   PHE   72 - HN    ALA   64   5.53 +/- 0.34   1.776% *  0.1110% (0.22   0.02  40.29) =   0.002%
          QE    LYS+  66 - HN    ALA   64   7.73 +/- 0.38   0.225% *  0.1110% (0.22   0.02   7.08) =   0.000%
          HB3   ASN   35 - HN    ALA   64  20.58 +/- 0.50   0.001% *  0.2426% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 0.852, support = 4.58, residual support = 24.3:
          QB    LYS+  65 - HN    ALA   64   4.54 +/- 0.16  58.231% * 81.9955% (0.92   4.85  26.66) =  87.755%  kept
          QB    LYS+  66 - HN    ALA   64   4.87 +/- 0.30  40.070% * 16.6157% (0.34   2.66   7.08) =  12.237%  kept
          HB3   GLN   17 - HN    ALA   64   8.78 +/- 0.53   1.176% *  0.3057% (0.84   0.02   2.45) =   0.007%
          HB2   LEU   71 - HN    ALA   64  11.04 +/- 0.28   0.282% *  0.3463% (0.95   0.02   0.02) =   0.002%
          HB    VAL   41 - HN    ALA   64  12.52 +/- 0.30   0.133% *  0.0724% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ALA   64  15.56 +/- 0.91   0.038% *  0.2220% (0.61   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    ALA   64  17.65 +/- 0.46   0.017% *  0.3057% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ALA   64  14.85 +/- 0.83   0.050% *  0.0724% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    ALA   64  23.28 +/- 0.66   0.003% *  0.0641% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (1.35, 6.46, 118.53 ppm):
    17 chemical-shift based assignments, quality = 0.726, support = 6.74, residual support = 54.0:
          HB2   LEU   63 - HN    ALA   64   2.71 +/- 0.12  97.378% * 96.5867% (0.73   6.74  53.96) =  99.997%  kept
          HG3   LYS+  65 - HN    ALA   64   5.39 +/- 0.38   1.862% *  0.0984% (0.25   0.02  26.66) =   0.002%
          HB3   ASP-  44 - HN    ALA   64   7.70 +/- 0.32   0.199% *  0.3296% (0.84   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA   64   6.65 +/- 0.49   0.509% *  0.0984% (0.25   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    ALA   64  13.45 +/- 0.66   0.007% *  0.3911% (0.99   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   64  13.85 +/- 1.04   0.006% *  0.3911% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   64  11.48 +/- 0.32   0.017% *  0.1218% (0.31   0.02   0.24) =   0.000%
          QB    ALA  124 - HN    ALA   64  14.01 +/- 0.36   0.005% *  0.3733% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   64  14.73 +/- 0.75   0.004% *  0.2076% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   64  15.82 +/- 0.49   0.003% *  0.1622% (0.41   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   64  18.69 +/- 0.23   0.001% *  0.3937% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA   64  18.98 +/- 0.27   0.001% *  0.2393% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   64  15.60 +/- 0.49   0.003% *  0.0691% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   64  18.12 +/- 0.44   0.001% *  0.1481% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   64  18.60 +/- 0.45   0.001% *  0.1769% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   64  16.87 +/- 1.02   0.002% *  0.0781% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   64  21.43 +/- 0.69   0.000% *  0.1346% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 6.88, residual support = 53.9:
          HG    LEU   63 - HN    ALA   64   4.49 +/- 0.61  88.852% * 98.6101% (0.53   6.88  53.96) =  99.985%  kept
          QD1   ILE  119 - HN    ALA   64   6.77 +/- 0.78  10.786% *  0.1078% (0.20   0.02   0.02) =   0.013%
          HG3   LYS+ 112 - HN    ALA   64  14.20 +/- 0.70   0.105% *  0.5029% (0.92   0.02   0.02) =   0.001%
          HB2   LEU  104 - HN    ALA   64  13.04 +/- 0.46   0.174% *  0.2442% (0.45   0.02   0.02) =   0.000%
          QG2   VAL  108 - HN    ALA   64  15.25 +/- 0.35   0.066% *  0.3304% (0.61   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    ALA   64  19.22 +/- 0.57   0.017% *  0.2045% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 1 structures by 0.06 A, kept.
 
    Peak 897 (0.88, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.84, residual support = 54.0:
          HB3   LEU   63 - HN    ALA   64   3.45 +/- 0.26  94.518% * 99.3432% (0.97   6.84  53.96) =  99.992%  kept
          QG1   VAL   18 - HN    ALA   64   6.02 +/- 0.35   3.521% *  0.1583% (0.53   0.02   8.15) =   0.006%
          QG1   VAL   70 - HN    ALA   64   7.30 +/- 0.14   1.168% *  0.1237% (0.41   0.02   0.02) =   0.002%
          QD1   LEU  123 - HN    ALA   64   8.15 +/- 0.42   0.642% *  0.0670% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    ALA   64  10.55 +/- 0.89   0.140% *  0.0670% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    ALA   64  16.00 +/- 0.32   0.011% *  0.2409% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 898 (0.57, 6.46, 118.53 ppm):
    8 chemical-shift based assignments, quality = 0.804, support = 6.21, residual support = 54.0:
          QD2   LEU   63 - HN    ALA   64   4.62 +/- 0.23  42.498% * 60.7011% (1.00   5.87  53.96) =  54.722%  kept
          QD1   LEU   63 - HN    ALA   64   4.43 +/- 0.33  55.024% * 38.7887% (0.57   6.62  53.96) =  45.274%  kept
          QD2   LEU  115 - HN    ALA   64   8.08 +/- 0.47   1.622% *  0.0516% (0.25   0.02   0.02) =   0.002%
          QG2   VAL   41 - HN    ALA   64  10.08 +/- 0.25   0.416% *  0.1255% (0.61   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    ALA   64  10.75 +/- 0.26   0.284% *  0.1171% (0.57   0.02   0.24) =   0.001%
          QD2   LEU   98 - HN    ALA   64  12.60 +/- 0.67   0.113% *  0.0850% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   64  17.75 +/- 1.20   0.015% *  0.0850% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   64  15.86 +/- 0.25   0.027% *  0.0460% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 899 (0.40, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.22, residual support = 20.8:
      O   QB    ALA   64 - HN    ALA   64   2.06 +/- 0.08 100.000% *100.0000% (0.95   4.22  20.76) = 100.000%  kept
    Distance limit 3.07 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   3.60 +/- 0.02  99.935% * 99.3638% (0.97   5.25  42.53) = 100.000%  kept
          HA    SER  117 - HN    LEU   63  12.35 +/- 0.36   0.062% *  0.1612% (0.41   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LEU   63  21.61 +/- 0.36   0.002% *  0.3139% (0.80   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LEU   63  27.17 +/- 0.35   0.001% *  0.1612% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 12.1:
          HA    PHE   60 - HN    LEU   63   3.03 +/- 0.11  99.871% * 92.4872% (0.69   1.50  12.09) =  99.999%  kept
          QB    SER  117 - HN    LEU   63  12.01 +/- 0.35   0.027% *  1.7794% (0.99   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    LEU   63  10.34 +/- 0.41   0.067% *  0.6124% (0.34   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LEU   63  12.60 +/- 0.36   0.020% *  1.3720% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LEU   63  14.44 +/- 0.15   0.009% *  1.2332% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU   63  17.84 +/- 0.26   0.002% *  1.4995% (0.84   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU   63  17.55 +/- 1.00   0.003% *  1.0164% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 243.6:
      O   HA    LEU   63 - HN    LEU   63   2.81 +/- 0.02  99.999% * 99.6052% (0.76   7.54 243.64) = 100.000%  kept
          HA2   GLY  101 - HN    LEU   63  21.53 +/- 0.32   0.000% *  0.2769% (0.80   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LEU   63  20.64 +/- 0.39   0.001% *  0.1179% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.53 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   2.82 +/- 0.29  99.989% * 99.7496% (0.98   5.25  42.53) = 100.000%  kept
          QB    ASP- 113 - HN    LEU   63  14.23 +/- 0.29   0.008% *  0.0767% (0.20   0.02   0.02) =   0.000%
          HB2   PRO   52 - HN    LEU   63  16.62 +/- 0.60   0.003% *  0.1737% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 904 (2.45, 7.59, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.25, residual support = 42.5:
          HB3   ASP-  62 - HN    LEU   63   3.43 +/- 0.23  99.977% * 98.9539% (0.95   5.25  42.53) = 100.000%  kept
          HG3   MET   96 - HN    LEU   63  14.26 +/- 0.32   0.021% *  0.3677% (0.92   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    LEU   63  23.18 +/- 1.87   0.001% *  0.2892% (0.73   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    LEU   63  24.27 +/- 0.90   0.001% *  0.1637% (0.41   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    LEU   63  26.31 +/- 0.56   0.001% *  0.2255% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 905 (1.35, 7.59, 120.97 ppm):
    17 chemical-shift based assignments, quality = 0.726, support = 7.98, residual support = 243.6:
      O   HB2   LEU   63 - HN    LEU   63   2.20 +/- 0.07  99.739% * 97.1009% (0.73   7.98 243.64) = 100.000%  kept
          HB3   ASP-  44 - HN    LEU   63   7.90 +/- 0.20   0.048% *  0.2799% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   63   6.62 +/- 0.51   0.153% *  0.0836% (0.25   0.02   1.19) =   0.000%
          HB    VAL   42 - HN    LEU   63   8.00 +/- 0.31   0.045% *  0.0836% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   63  12.48 +/- 0.49   0.003% *  0.3322% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   63  12.86 +/- 0.37   0.003% *  0.3170% (0.95   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   63  14.79 +/- 1.06   0.001% *  0.3322% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   63  13.53 +/- 0.46   0.002% *  0.1378% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   63  14.48 +/- 0.56   0.001% *  0.1763% (0.53   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   63  13.43 +/- 0.32   0.002% *  0.1034% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   63  16.33 +/- 0.34   0.001% *  0.1258% (0.38   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   63  19.27 +/- 0.20   0.000% *  0.3344% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   63  20.26 +/- 0.31   0.000% *  0.2033% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   63  16.68 +/- 0.44   0.001% *  0.0587% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LEU   63  20.51 +/- 0.54   0.000% *  0.1503% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   63  19.23 +/- 0.99   0.000% *  0.0663% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   63  22.00 +/- 0.63   0.000% *  0.1143% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 7.59, residual support = 243.6:
          HG    LEU   63 - HN    LEU   63   2.83 +/- 0.41  99.703% * 99.5054% (1.00   7.59 243.64) = 100.000%  kept
          QG1   VAL  107 - HN    LEU   63   8.14 +/- 0.22   0.270% *  0.0460% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    LEU   63  11.97 +/- 0.61   0.027% *  0.1909% (0.73   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LEU   63  20.64 +/- 0.67   0.001% *  0.2577% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 3 structures by 0.07 A, kept.
 
    Peak 907 (0.88, 7.59, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 7.61, residual support = 243.6:
      O   HB3   LEU   63 - HN    LEU   63   3.45 +/- 0.10  97.095% * 99.4086% (0.97   7.61 243.64) =  99.997%  kept
          QG1   VAL   18 - HN    LEU   63   7.58 +/- 0.35   0.923% *  0.1425% (0.53   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    LEU   63   7.06 +/- 0.43   1.457% *  0.0603% (0.22   0.02   0.02) =   0.001%
          QG1   VAL   70 - HN    LEU   63   8.44 +/- 0.19   0.463% *  0.1114% (0.41   0.02   0.02) =   0.001%
          QG1   VAL  108 - HN    LEU   63  14.91 +/- 0.26   0.015% *  0.2169% (0.80   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU   63  12.55 +/- 0.88   0.048% *  0.0603% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (0.58, 7.59, 120.97 ppm):
    9 chemical-shift based assignments, quality = 0.868, support = 7.02, residual support = 243.6:
          QD1   LEU   63 - HN    LEU   63   3.64 +/- 0.19  52.672% * 48.0714% (0.90   6.56 243.64) =  52.584%  kept
          QD2   LEU   63 - HN    LEU   63   3.72 +/- 0.46  44.365% * 51.4572% (0.84   7.54 243.64) =  47.411%  kept
          QD2   LEU  115 - HN    LEU   63   6.01 +/- 0.52   2.804% *  0.0925% (0.57   0.02   0.02) =   0.005%
          QD1   LEU   73 - HN    LEU   63  12.38 +/- 0.34   0.034% *  0.1466% (0.90   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   63  11.53 +/- 0.24   0.051% *  0.0454% (0.28   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   63  11.74 +/- 0.38   0.046% *  0.0504% (0.31   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   63  13.54 +/- 0.69   0.020% *  0.0252% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   63  17.12 +/- 0.32   0.005% *  0.0860% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   63  18.93 +/- 1.21   0.003% *  0.0252% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.59 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   2.79 +/- 0.22  99.990% * 99.6577% (0.84   3.84  41.03) = 100.000%  kept
          HB2   PRO   52 - HN    ASP-  62  15.48 +/- 0.53   0.004% *  0.2375% (0.39   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    ASP-  62  14.20 +/- 0.33   0.006% *  0.1048% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 910 (2.45, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.815, support = 3.84, residual support = 41.0:
      O   HB3   ASP-  62 - HN    ASP-  62   2.24 +/- 0.21  99.999% * 98.5739% (0.82   3.84  41.03) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  62  15.98 +/- 0.31   0.001% *  0.5012% (0.80   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  62  25.00 +/- 1.93   0.000% *  0.3943% (0.63   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  62  25.35 +/- 0.93   0.000% *  0.2232% (0.35   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    ASP-  62  26.99 +/- 0.58   0.000% *  0.3074% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 911 (1.84, 7.86, 120.86 ppm):
    14 chemical-shift based assignments, quality = 0.333, support = 0.0186, residual support = 0.0186:
          QB    LYS+  66 - HN    ASP-  62   5.94 +/- 0.28  91.990% *  5.0993% (0.32   0.02   0.02) =  86.362%  kept
          HG    LEU  123 - HN    ASP-  62  10.85 +/- 0.54   2.802% * 12.8527% (0.82   0.02   0.02) =   6.631%  kept
          HG2   ARG+  54 - HN    ASP-  62  11.80 +/- 0.70   1.669% *  7.6923% (0.49   0.02   0.02) =   2.363%
          HG3   PRO   68 - HN    ASP-  62  12.88 +/- 0.33   0.892% *  8.7895% (0.56   0.02   0.02) =   1.443%
          HB3   PRO   52 - HN    ASP-  62  14.33 +/- 0.59   0.488% * 12.8527% (0.82   0.02   0.02) =   1.155%
          HB3   ASP- 105 - HN    ASP-  62  13.92 +/- 0.50   0.577% *  7.1484% (0.45   0.02   0.02) =   0.759%
          HB    VAL   41 - HN    ASP-  62  16.04 +/- 0.22   0.244% *  7.6923% (0.49   0.02   0.02) =   0.345%
          QB    LYS+ 106 - HN    ASP-  62  14.65 +/- 0.24   0.424% *  3.3879% (0.21   0.02   0.02) =   0.265%
          HG2   PRO   93 - HN    ASP-  62  14.04 +/- 0.89   0.597% *  2.3795% (0.15   0.02   0.02) =   0.262%
          HG12  ILE  103 - HN    ASP-  62  18.96 +/- 0.92   0.093% *  9.8662% (0.63   0.02   0.02) =   0.168%
          QB    LYS+  33 - HN    ASP-  62  18.20 +/- 0.65   0.117% *  5.5858% (0.35   0.02   0.02) =   0.120%
          HB    ILE  103 - HN    ASP-  62  20.32 +/- 0.35   0.059% *  8.2409% (0.52   0.02   0.02) =   0.090%
          HB3   GLN   90 - HN    ASP-  62  23.11 +/- 0.64   0.028% *  4.6346% (0.29   0.02   0.02) =   0.023%
          QB    LYS+  81 - HN    ASP-  62  24.10 +/- 0.34   0.021% *  3.7777% (0.24   0.02   0.02) =   0.015%
    Distance limit 4.38 A violated in 20 structures by 1.53 A, eliminated.
    Peak unassigned.
 
    Peak 912 (1.42, 7.86, 120.86 ppm):
    12 chemical-shift based assignments, quality = 0.796, support = 2.79, residual support = 8.33:
          QB    ALA   61 - HN    ASP-  62   2.75 +/- 0.06  98.468% * 94.7960% (0.80   2.79   8.33) =  99.993%  kept
          QG    LYS+  66 - HN    ASP-  62   5.88 +/- 0.77   1.422% *  0.4468% (0.52   0.02   0.02) =   0.007%
          HB3   LEU   67 - HN    ASP-  62   9.98 +/- 0.64   0.049% *  0.5898% (0.69   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ASP-  62  10.73 +/- 0.31   0.029% *  0.7366% (0.86   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  12.08 +/- 0.51   0.014% *  0.3585% (0.42   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  14.71 +/- 0.84   0.005% *  0.7301% (0.85   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  14.57 +/- 0.68   0.005% *  0.3875% (0.45   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  14.05 +/- 0.26   0.006% *  0.3028% (0.35   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.28 +/- 0.25   0.002% *  0.1837% (0.21   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  21.52 +/- 1.16   0.000% *  0.7349% (0.86   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  21.29 +/- 0.46   0.000% *  0.5060% (0.59   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  23.81 +/- 1.08   0.000% *  0.2273% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.857, support = 1.65, residual support = 3.69:
          QB    LYS+  66 - HN    LEU   63   4.44 +/- 0.35  61.454% * 37.4488% (0.95   1.13   6.08) =  51.085%  kept
          QB    LYS+  65 - HN    LEU   63   4.84 +/- 0.22  37.325% * 59.0291% (0.76   2.20   1.19) =  48.907%  kept
          HG    LEU  123 - HN    LEU   63   9.42 +/- 0.52   0.697% *  0.2641% (0.38   0.02   0.02) =   0.004%
          HB2   LEU   71 - HN    LEU   63  13.27 +/- 0.32   0.082% *  0.5109% (0.73   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LEU   63  11.08 +/- 0.69   0.264% *  0.1567% (0.22   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    LEU   63  14.45 +/- 0.87   0.054% *  0.6974% (0.99   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LEU   63  14.14 +/- 0.25   0.056% *  0.5634% (0.80   0.02   0.02) =   0.001%
          HB3   PRO   52 - HN    LEU   63  15.33 +/- 0.65   0.035% *  0.2641% (0.38   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   63  17.02 +/- 0.92   0.019% *  0.4552% (0.65   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   63  18.10 +/- 0.39   0.013% *  0.6103% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 914 (3.93, 7.72, 117.18 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 5.03, residual support = 41.6:
      O   HA    PHE   60 - HN    ALA   61   3.63 +/- 0.01  99.824% * 97.6369% (0.69   5.03  41.57) =  99.999%  kept
          QB    SER  117 - HN    ALA   61  13.76 +/- 0.26   0.034% *  0.5597% (0.99   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA   61  13.41 +/- 0.26   0.039% *  0.3879% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA   61  14.25 +/- 0.29   0.027% *  0.4717% (0.84   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA   61  14.31 +/- 1.11   0.030% *  0.3197% (0.57   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ALA   61  13.88 +/- 0.35   0.032% *  0.1926% (0.34   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    ALA   61  15.97 +/- 0.26   0.014% *  0.4315% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 2.74, residual support = 17.9:
      O   HA    ALA   61 - HN    ALA   61   2.76 +/- 0.03  98.209% * 98.6137% (0.95   2.74  17.87) =  99.991%  kept
          HD3   PRO   58 - HN    ALA   61   5.40 +/- 0.13   1.770% *  0.4919% (0.65   0.02   1.15) =   0.009%
          HD2   PRO   68 - HN    ALA   61  12.36 +/- 0.73   0.013% *  0.6089% (0.80   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA   61  13.28 +/- 0.35   0.008% *  0.2854% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 4.87, residual support = 41.6:
          HB2   PHE   60 - HN    ALA   61   2.91 +/- 0.42  99.861% * 99.4645% (0.84   4.87  41.57) = 100.000%  kept
          HB    THR   46 - HN    ALA   61   9.22 +/- 0.71   0.139% *  0.0968% (0.20   0.02   0.02) =   0.000%
          HB2   TRP   87 - HN    ALA   61  23.76 +/- 0.31   0.000% *  0.4387% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 5.03, residual support = 41.6:
          HB3   PHE   60 - HN    ALA   61   2.80 +/- 0.53  99.980% * 99.1979% (0.98   5.03  41.57) = 100.000%  kept
          QE    LYS+ 106 - HN    ALA   61  15.84 +/- 1.08   0.006% *  0.3487% (0.87   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   61  13.88 +/- 0.35   0.011% *  0.1653% (0.41   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   61  17.34 +/- 0.56   0.003% *  0.1509% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ALA   61  22.20 +/- 0.45   0.001% *  0.1371% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 3.99, residual support = 17.9:
      O   QB    ALA   61 - HN    ALA   61   2.07 +/- 0.08  99.925% * 95.4527% (0.73   3.99  17.87) = 100.000%  kept
          QG    LYS+  66 - HN    ALA   61   8.14 +/- 0.76   0.031% *  0.6452% (0.98   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   61   9.00 +/- 0.49   0.016% *  0.3992% (0.61   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   61   9.58 +/- 0.32   0.011% *  0.3204% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   61  10.98 +/- 0.63   0.005% *  0.5710% (0.87   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   61  10.79 +/- 1.24   0.007% *  0.3204% (0.49   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA   61  12.74 +/- 0.28   0.002% *  0.6524% (0.99   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   61  13.55 +/- 0.50   0.001% *  0.3992% (0.61   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   61  13.43 +/- 0.89   0.001% *  0.2706% (0.41   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   61  19.20 +/- 1.16   0.000% *  0.3463% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   61  23.78 +/- 1.08   0.000% *  0.6226% (0.95   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 6.07, residual support = 37.7:
          HD3   PRO   58 - HN    PHE   59   2.28 +/- 0.02  99.872% * 99.4967% (0.76   6.07  37.72) = 100.000%  kept
          HA    ALA   61 - HN    PHE   59   6.95 +/- 0.10   0.126% *  0.1141% (0.26   0.02   0.92) =   0.000%
          HA    VAL   75 - HN    PHE   59  15.34 +/- 0.30   0.001% *  0.3229% (0.74   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    PHE   59  14.95 +/- 0.66   0.001% *  0.0662% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 55.2:
      O   HB2   PHE   59 - HN    PHE   59   2.41 +/- 0.15  99.645% * 98.1858% (0.76   4.37  55.16) =  99.999%  kept
          QB    PHE   55 - HN    PHE   59   6.50 +/- 0.21   0.273% *  0.4287% (0.73   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HN    PHE   59   9.06 +/- 0.92   0.047% *  0.2748% (0.47   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    PHE   59   9.73 +/- 0.46   0.026% *  0.3113% (0.53   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    PHE   59  12.19 +/- 0.43   0.006% *  0.3931% (0.67   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   59  15.22 +/- 0.63   0.002% *  0.4064% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 55.2:
      O   HB3   PHE   59 - HN    PHE   59   2.31 +/- 0.15  99.963% * 99.8372% (0.67   4.98  55.16) = 100.000%  kept
          HB2   PHE   95 - HN    PHE   59   8.81 +/- 0.35   0.036% *  0.0713% (0.12   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    PHE   59  18.05 +/- 0.97   0.001% *  0.0915% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 923 (2.38, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.192, support = 6.27, residual support = 37.7:
      O   HB2   PRO   58 - HN    PHE   59   4.14 +/- 0.04  99.138% * 95.4402% (0.19   6.27  37.72) =  99.991%  kept
          HB2   GLN  116 - HN    PHE   59   9.37 +/- 0.53   0.785% *  1.0203% (0.64   0.02   0.02) =   0.008%
          HB3   PHE   97 - HN    PHE   59  14.34 +/- 0.25   0.058% *  0.8391% (0.53   0.02   0.02) =   0.001%
          QG    GLU-  79 - HN    PHE   59  18.19 +/- 0.80   0.014% *  0.9781% (0.62   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    PHE   59  24.47 +/- 0.43   0.002% *  1.1276% (0.71   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   59  23.91 +/- 0.55   0.003% *  0.5946% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 6.27, residual support = 37.7:
          HG2   PRO   58 - HN    PHE   59   2.82 +/- 0.38  99.639% * 98.7215% (0.76   6.27  37.72) = 100.000%  kept
          HB2   PRO   93 - HN    PHE   59   9.12 +/- 0.36   0.125% *  0.1321% (0.32   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    PHE   59   8.55 +/- 0.22   0.190% *  0.0563% (0.14   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    PHE   59  11.71 +/- 0.52   0.030% *  0.3151% (0.76   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   59  13.67 +/- 0.71   0.013% *  0.0435% (0.10   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    PHE   59  17.37 +/- 0.85   0.003% *  0.0894% (0.21   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    PHE   59  22.00 +/- 1.60   0.001% *  0.3207% (0.77   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    PHE   59  28.74 +/- 2.81   0.000% *  0.3214% (0.77   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (1.90, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.692, support = 6.27, residual support = 37.7:
      O   HB3   PRO   58 - HN    PHE   59   3.16 +/- 0.08  97.406% * 98.7980% (0.69   6.27  37.72) =  99.998%  kept
          HB    ILE   56 - HN    PHE   59   5.81 +/- 0.07   2.566% *  0.0877% (0.19   0.02  15.55) =   0.002%
          HB2   MET   92 - HN    PHE   59  14.82 +/- 0.46   0.009% *  0.2553% (0.56   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   59  13.73 +/- 0.32   0.015% *  0.0877% (0.19   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   59  19.90 +/- 0.45   0.002% *  0.1991% (0.44   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   59  21.39 +/- 1.21   0.001% *  0.1850% (0.41   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   59  28.81 +/- 2.91   0.000% *  0.2553% (0.56   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   59  24.84 +/- 1.25   0.000% *  0.1320% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 926 (1.71, 7.25, 119.50 ppm):
    9 chemical-shift based assignments, quality = 0.669, support = 3.15, residual support = 15.5:
          QG1   ILE   56 - HN    PHE   59   4.42 +/- 0.12  99.365% * 96.9537% (0.67   3.15  15.55) =  99.998%  kept
          HD2   LYS+ 111 - HN    PHE   59  12.42 +/- 0.45   0.208% *  0.2421% (0.26   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HN    PHE   59  14.47 +/- 0.57   0.086% *  0.5684% (0.62   0.02   0.02) =   0.001%
          HB3   MET   92 - HN    PHE   59  14.00 +/- 1.02   0.112% *  0.3182% (0.35   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    PHE   59  14.70 +/- 0.20   0.075% *  0.4305% (0.47   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    PHE   59  17.35 +/- 0.46   0.028% *  0.5929% (0.64   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    PHE   59  14.07 +/- 0.44   0.099% *  0.1095% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    PHE   59  19.37 +/- 0.85   0.015% *  0.5425% (0.59   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    PHE   59  19.73 +/- 0.29   0.013% *  0.2421% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.07 A, kept.
 
    Peak 927 (3.76, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.332, support = 0.0195, residual support = 1.94:
          HA    ALA   61 - HN    ALA   57   8.46 +/- 0.20  98.484% * 14.7090% (0.34   0.02   1.99) =  97.277%  kept
          HD2   PRO   68 - HN    ALA   57  18.13 +/- 0.66   1.061% * 22.6869% (0.53   0.02   0.02) =   1.617%
          HA    VAL   24 - HN    ALA   57  21.92 +/- 0.64   0.336% * 41.6148% (0.97   0.02   0.02) =   0.940%
          HA    LYS+  38 - HN    ALA   57  26.06 +/- 0.52   0.118% * 20.9893% (0.49   0.02   0.02) =   0.167%
    Distance limit 3.57 A violated in 20 structures by 4.89 A, eliminated.
    Peak unassigned.
 
    Peak 928 (3.36, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.378, support = 0.0197, residual support = 0.0197:
          HD2   ARG+  54 - HN    ALA   57   5.91 +/- 0.82  55.282% * 36.5352% (0.41   0.02   0.02) =  60.501%  kept
          HB3   CYS   53 - HN    ALA   57   6.15 +/- 0.41  41.824% * 30.3140% (0.34   0.02   0.02) =  37.978%  kept
          HD3   PRO   93 - HN    ALA   57   9.74 +/- 0.54   2.833% * 17.5871% (0.20   0.02   0.02) =   1.492%
          HD3   PRO   68 - HN    ALA   57  18.43 +/- 0.64   0.061% * 15.5637% (0.18   0.02   0.02) =   0.029%
    Distance limit 4.54 A violated in 15 structures by 0.73 A, eliminated.
    Peak unassigned.
 
    Peak 929 (1.90, 7.41, 127.14 ppm):
    8 chemical-shift based assignments, quality = 0.499, support = 4.57, residual support = 25.4:
          HB    ILE   56 - HN    ALA   57   4.18 +/- 0.09  83.336% * 23.6542% (0.25   4.79  25.85) =  61.390%  kept
          HB3   PRO   58 - HN    ALA   57   5.48 +/- 0.05  16.510% * 75.0902% (0.90   4.23  24.61) =  38.609%  kept
          HB2   MET   92 - HN    ALA   57  13.08 +/- 0.52   0.091% *  0.2877% (0.73   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    ALA   57  14.44 +/- 0.43   0.050% *  0.0988% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   57  20.24 +/- 0.46   0.007% *  0.2243% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    ALA   57  22.11 +/- 1.44   0.004% *  0.2084% (0.53   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ALA   57  30.02 +/- 3.12   0.001% *  0.2877% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   57  27.22 +/- 1.26   0.001% *  0.1487% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 930 (1.64, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 4.58, residual support = 23.2:
      O   QB    ALA   57 - HN    ALA   57   2.12 +/- 0.04  99.976% * 97.7413% (0.92   4.58  23.20) = 100.000%  kept
          HD2   LYS+  74 - HN    ALA   57   9.00 +/- 0.56   0.019% *  0.4584% (0.99   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   57  12.29 +/- 0.33   0.003% *  0.2251% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   57  14.26 +/- 0.42   0.001% *  0.4148% (0.90   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   57  16.05 +/- 0.38   0.001% *  0.2433% (0.53   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ALA   57  19.12 +/- 0.43   0.000% *  0.2992% (0.65   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA   57  19.83 +/- 0.58   0.000% *  0.1901% (0.41   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ALA   57  22.35 +/- 1.36   0.000% *  0.2992% (0.65   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   57  26.26 +/- 1.71   0.000% *  0.1286% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 931 (1.26, 7.41, 127.14 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 4.66, residual support = 25.8:
          QG2   ILE   56 - HN    ALA   57   3.48 +/- 0.09  99.679% * 97.1287% (0.87   4.66  25.85) =  99.999%  kept
          QB    ALA   91 - HN    ALA   57  11.12 +/- 1.28   0.121% *  0.4640% (0.97   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HN    ALA   57  10.15 +/- 0.53   0.175% *  0.2156% (0.45   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   57  18.42 +/- 0.64   0.005% *  0.4640% (0.97   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   57  17.72 +/- 0.57   0.006% *  0.3303% (0.69   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   57  17.95 +/- 0.32   0.005% *  0.3303% (0.69   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   57  18.95 +/- 0.50   0.004% *  0.1640% (0.34   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   57  19.88 +/- 0.96   0.003% *  0.1977% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   57  23.30 +/- 0.95   0.001% *  0.2340% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   57  28.55 +/- 1.66   0.000% *  0.4713% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 932 (2.88, 7.68, 113.30 ppm):
    5 chemical-shift based assignments, quality = 0.363, support = 3.63, residual support = 59.8:
      O   HB2   ASN   69 - HD21  ASN   69   2.44 +/- 0.11  99.983% * 98.2919% (0.36   3.63  59.79) = 100.000%  kept
          QE    LYS+  66 - HD21  ASN   69  11.26 +/- 1.49   0.015% *  0.6988% (0.47   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD21  ASN   69  16.23 +/- 1.94   0.002% *  0.4401% (0.30   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD21  ASN   69  23.70 +/- 1.01   0.000% *  0.4401% (0.30   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   69  28.05 +/- 0.91   0.000% *  0.1291% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 933 (0.88, 7.68, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.318, support = 4.15, residual support = 26.3:
          QG1   VAL   70 - HD21  ASN   69   3.15 +/- 0.84  99.041% * 97.4978% (0.32   4.15  26.28) =  99.996%  kept
          HB3   LEU   63 - HD21  ASN   69  10.38 +/- 0.92   0.157% *  0.8296% (0.56   0.02   0.02) =   0.001%
          QD1   LEU   71 - HD21  ASN   69   8.70 +/- 1.20   0.379% *  0.2830% (0.19   0.02   0.02) =   0.001%
          QD1   LEU  123 - HD21  ASN   69   9.67 +/- 1.28   0.359% *  0.2830% (0.19   0.02   0.02) =   0.001%
          QG1   VAL   18 - HD21  ASN   69  11.75 +/- 0.80   0.063% *  0.5699% (0.39   0.02   0.02) =   0.000%
          QG1   VAL  108 - HD21  ASN   69  21.75 +/- 0.82   0.002% *  0.5367% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 934 (4.37, 7.68, 113.30 ppm):
    7 chemical-shift based assignments, quality = 0.373, support = 0.0192, residual support = 0.0192:
          HA    LYS+  99 - HD21  ASN   69  10.99 +/- 1.71  16.518% * 19.7883% (0.53   0.02   0.02) =  38.128%  kept
          HA    LEU  123 - HD21  ASN   69  11.59 +/- 0.91  18.348% * 14.3693% (0.39   0.02   0.02) =  30.754%  kept
          HA    LEU   40 - HD21  ASN   69   8.97 +/- 1.62  58.044% *  2.8311% (0.08   0.02   0.02) =  19.169%  kept
          HA    ASN   35 - HD21  ASN   69  14.00 +/- 2.05   3.956% * 17.4728% (0.47   0.02   0.02) =   8.063%  kept
          HA    PHE   59 - HD21  ASN   69  16.18 +/- 1.16   2.432% *  8.6000% (0.23   0.02   0.02) =   2.440%
          HA    ILE   56 - HD21  ASN   69  20.52 +/- 1.07   0.521% * 16.7505% (0.45   0.02   0.02) =   1.019%
          HA    ASP- 113 - HD21  ASN   69  24.31 +/- 0.98   0.181% * 20.1881% (0.54   0.02   0.02) =   0.427%
    Distance limit 4.89 A violated in 20 structures by 3.24 A, eliminated.
    Peak unassigned.
 
    Peak 935 (3.33, 7.59, 115.08 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.42, residual support = 16.2:
          QB    PHE   55 - HN    ILE   56   2.85 +/- 0.33  94.602% * 97.7606% (0.97   4.42  16.20) =  99.976%  kept
          HB3   CYS   53 - HN    ILE   56   5.33 +/- 0.23   2.872% *  0.4424% (0.97   0.02   0.02) =   0.014%
          HB2   PHE   59 - HN    ILE   56   5.94 +/- 0.26   1.444% *  0.3504% (0.76   0.02  15.55) =   0.005%
          HD2   ARG+  54 - HN    ILE   56   6.90 +/- 0.66   0.801% *  0.4232% (0.92   0.02   0.02) =   0.004%
          HD3   PRO   93 - HN    ILE   56   7.82 +/- 0.64   0.276% *  0.4574% (1.00   0.02   0.02) =   0.001%
          HD3   PRO   68 - HN    ILE   56  20.11 +/- 0.61   0.001% *  0.4544% (0.99   0.02   0.02) =   0.000%
          HD3   PRO   93 - HZ2   TRP   87  17.13 +/- 1.14   0.003% *  0.0199% (0.04   0.02   0.02) =   0.000%
          HB3   CYS   53 - HZ2   TRP   87  20.06 +/- 0.94   0.001% *  0.0192% (0.04   0.02   0.02) =   0.000%
          QB    PHE   55 - HZ2   TRP   87  22.15 +/- 1.13   0.000% *  0.0192% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   59 - HZ2   TRP   87  22.39 +/- 0.61   0.000% *  0.0152% (0.03   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HZ2   TRP   87  27.70 +/- 1.04   0.000% *  0.0184% (0.04   0.02   0.02) =   0.000%
          HD3   PRO   68 - HZ2   TRP   87  28.59 +/- 0.54   0.000% *  0.0197% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 936 (1.89, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 114.1:
      O   HB    ILE   56 - HN    ILE   56   2.35 +/- 0.10  99.516% * 97.6342% (0.87   6.00 114.14) =  99.999%  kept
          HB3   PRO   58 - HN    ILE   56   7.14 +/- 0.10   0.133% *  0.3005% (0.80   0.02   0.23) =   0.000%
          HG2   ARG+  54 - HN    ILE   56   6.30 +/- 0.36   0.312% *  0.0657% (0.18   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ILE   56  11.43 +/- 0.80   0.008% *  0.3550% (0.95   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ILE   56  13.58 +/- 0.56   0.003% *  0.1683% (0.45   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE   56  15.63 +/- 0.98   0.001% *  0.1280% (0.34   0.02   0.02) =   0.000%
          HB2   MET   92 - HZ2   TRP   87  13.53 +/- 3.06   0.005% *  0.0154% (0.04   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ILE   56  20.99 +/- 0.53   0.000% *  0.3745% (1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE   56  16.44 +/- 0.39   0.001% *  0.0743% (0.20   0.02   0.02) =   0.000%
          QB    LYS+  81 - HZ2   TRP   87  11.13 +/- 0.23   0.009% *  0.0067% (0.02   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE   56  20.31 +/- 0.45   0.000% *  0.1543% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HZ2   TRP   87  15.26 +/- 1.13   0.002% *  0.0163% (0.04   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HZ2   TRP   87  13.68 +/- 1.12   0.003% *  0.0073% (0.02   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE   56  22.30 +/- 0.50   0.000% *  0.1044% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ILE   56  27.92 +/- 1.22   0.000% *  0.3622% (0.97   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ILE   56  21.23 +/- 0.47   0.000% *  0.0579% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   90 - HZ2   TRP   87  14.70 +/- 0.42   0.002% *  0.0056% (0.01   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE   56  22.00 +/- 0.21   0.000% *  0.0508% (0.14   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   87  14.87 +/- 1.04   0.002% *  0.0025% (0.01   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   87  17.35 +/- 1.18   0.001% *  0.0045% (0.01   0.02   0.02) =   0.000%
          HB    ILE   56 - HZ2   TRP   87  21.20 +/- 0.90   0.000% *  0.0141% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HZ2   TRP   87  22.30 +/- 0.92   0.000% *  0.0157% (0.04   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ILE   56  32.03 +/- 3.07   0.000% *  0.0579% (0.15   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   87  19.83 +/- 0.77   0.000% *  0.0032% (0.01   0.02   0.02) =   0.000%
          HB3   PRO   58 - HZ2   TRP   87  27.46 +/- 0.52   0.000% *  0.0130% (0.03   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HZ2   TRP   87  25.41 +/- 1.00   0.000% *  0.0029% (0.01   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   87  30.07 +/- 0.66   0.000% *  0.0022% (0.01   0.02   0.02) =   0.000%
          HG3   MET   11 - HZ2   TRP   87  36.62 +/- 2.87   0.000% *  0.0025% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 937 (1.71, 7.59, 115.08 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 5.38, residual support = 114.1:
          QG1   ILE   56 - HN    ILE   56   4.12 +/- 0.06  97.865% * 98.1030% (0.87   5.38 114.14) =  99.998%  kept
          HB3   MET   92 - HN    ILE   56  10.67 +/- 1.29   0.456% *  0.1883% (0.45   0.02   0.02) =   0.001%
          HD2   LYS+ 111 - HN    ILE   56  11.31 +/- 0.51   0.238% *  0.1433% (0.34   0.02   2.29) =   0.000%
          QD    LYS+ 106 - HN    ILE   56  14.75 +/- 0.78   0.049% *  0.3364% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ILE   56  15.54 +/- 0.38   0.034% *  0.2548% (0.61   0.02   0.02) =   0.000%
          HB    ILE   89 - HZ2   TRP   87   9.03 +/- 0.04   0.879% *  0.0062% (0.01   0.02  19.88) =   0.000%
          QD    LYS+ 106 - HZ2   TRP   87  11.61 +/- 1.16   0.238% *  0.0146% (0.03   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    ILE   56  16.57 +/- 0.53   0.023% *  0.1433% (0.34   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    ILE   56  20.57 +/- 0.44   0.006% *  0.3509% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    ILE   56  22.49 +/- 0.76   0.004% *  0.3211% (0.76   0.02   0.02) =   0.000%
          HB3   MET   92 - HZ2   TRP   87  14.09 +/- 2.94   0.109% *  0.0082% (0.02   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ILE   56  18.87 +/- 0.32   0.011% *  0.0648% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   73 - HZ2   TRP   87  14.27 +/- 0.57   0.058% *  0.0111% (0.03   0.02   0.02) =   0.000%
          QG1   ILE   56 - HZ2   TRP   87  18.40 +/- 0.69   0.013% *  0.0158% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  99 - HZ2   TRP   87  20.15 +/- 0.46   0.007% *  0.0152% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HZ2   TRP   87  20.31 +/- 0.50   0.007% *  0.0139% (0.03   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HZ2   TRP   87  24.10 +/- 1.41   0.003% *  0.0062% (0.01   0.02   0.02) =   0.000%
          HB2   LEU  123 - HZ2   TRP   87  30.22 +/- 0.83   0.001% *  0.0028% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.15 A, kept.
 
    Peak 938 (1.45, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.197, support = 0.982, residual support = 6.8:
          QB    ALA  110 - HN    ILE   56   3.75 +/- 0.45  94.106% * 55.4555% (0.20   0.99   6.82) =  99.710%  kept
          HB3   LEU  115 - HN    ILE   56   7.67 +/- 0.42   1.423% *  5.2513% (0.92   0.02   0.02) =   0.143%
          HG    LEU  115 - HN    ILE   56   7.85 +/- 0.62   1.689% *  2.1350% (0.38   0.02   0.02) =   0.069%
          QB    ALA   61 - HN    ILE   56   7.63 +/- 0.23   1.680% *  2.1350% (0.38   0.02   0.02) =   0.069%
          QG    LYS+  66 - HN    ILE   56  13.90 +/- 0.72   0.044% *  4.1308% (0.73   0.02   0.02) =   0.003%
          QB    ALA  120 - HN    ILE   56  14.60 +/- 0.21   0.032% *  2.1350% (0.38   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    ILE   56  17.20 +/- 0.35   0.012% *  5.1018% (0.90   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ILE   56  17.49 +/- 1.22   0.012% *  4.7516% (0.84   0.02   0.02) =   0.001%
          HG    LEU   80 - HZ2   TRP   87   8.86 +/- 1.17   0.900% *  0.0550% (0.01   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    ILE   56  18.62 +/- 0.49   0.007% *  5.2513% (0.92   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ILE   56  17.87 +/- 0.62   0.009% *  2.9929% (0.53   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    ILE   56  19.33 +/- 1.22   0.006% *  1.2665% (0.22   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE   56  19.22 +/- 0.66   0.006% *  0.8777% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE   56  26.63 +/- 1.07   0.001% *  5.4900% (0.97   0.02   0.02) =   0.000%
          HG    LEU   73 - HZ2   TRP   87  15.64 +/- 0.83   0.023% *  0.2214% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ILE   56  20.73 +/- 0.57   0.004% *  1.1258% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HZ2   TRP   87  18.55 +/- 1.03   0.008% *  0.2383% (0.04   0.02   0.02) =   0.000%
          HG    LEU   40 - HZ2   TRP   87  20.02 +/- 0.90   0.005% *  0.2279% (0.04   0.02   0.02) =   0.000%
          QB    ALA  110 - HZ2   TRP   87  17.35 +/- 0.83   0.012% *  0.0489% (0.01   0.02   0.02) =   0.000%
          HB3   LEU  115 - HZ2   TRP   87  22.55 +/- 0.92   0.002% *  0.2279% (0.04   0.02   0.02) =   0.000%
          QB    ALA   61 - HZ2   TRP   87  21.51 +/- 0.30   0.003% *  0.0927% (0.02   0.02   0.02) =   0.000%
          HG    LEU   67 - HZ2   TRP   87  25.31 +/- 0.72   0.001% *  0.2062% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   67 - HZ2   TRP   87  24.56 +/- 0.44   0.001% *  0.1299% (0.02   0.02   0.02) =   0.000%
          QG    LYS+  66 - HZ2   TRP   87  26.23 +/- 0.61   0.001% *  0.1793% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HZ2   TRP   87  21.28 +/- 0.59   0.003% *  0.0489% (0.01   0.02   0.02) =   0.000%
          HG12  ILE   19 - HZ2   TRP   87  20.76 +/- 0.93   0.004% *  0.0381% (0.01   0.02   0.02) =   0.000%
          HG    LEU  115 - HZ2   TRP   87  24.78 +/- 1.29   0.001% *  0.0927% (0.02   0.02   0.02) =   0.000%
          QB    ALA  120 - HZ2   TRP   87  24.76 +/- 0.68   0.001% *  0.0927% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.01 A, kept.
 
    Peak 939 (1.27, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.27, residual support = 114.1:
          QG2   ILE   56 - HN    ILE   56   2.88 +/- 0.21  99.811% * 98.3617% (1.00   6.27 114.14) = 100.000%  kept
          QB    ALA   91 - HN    ILE   56   9.77 +/- 1.23   0.096% *  0.2279% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ILE   56  10.77 +/- 0.52   0.043% *  0.0621% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ILE   56  18.56 +/- 0.38   0.002% *  0.2968% (0.95   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   56  19.34 +/- 0.61   0.001% *  0.2279% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ILE   56  19.24 +/- 0.49   0.001% *  0.2030% (0.65   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   56  19.13 +/- 0.56   0.001% *  0.1178% (0.38   0.02   0.02) =   0.000%
          QB    ALA   91 - HZ2   TRP   87  13.21 +/- 1.07   0.013% *  0.0099% (0.03   0.02   0.02) =   0.000%
          QG2   THR   23 - HZ2   TRP   87  13.19 +/- 0.94   0.013% *  0.0088% (0.03   0.02   0.02) =   0.000%
          QB    ALA   34 - HZ2   TRP   87  14.19 +/- 0.77   0.008% *  0.0129% (0.04   0.02   0.02) =   0.000%
          QG2   ILE   56 - HZ2   TRP   87  16.33 +/- 0.64   0.003% *  0.0136% (0.04   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   56  21.11 +/- 1.05   0.001% *  0.0550% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   56  29.29 +/- 1.61   0.000% *  0.2968% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   56  23.90 +/- 0.92   0.000% *  0.0699% (0.22   0.02   0.02) =   0.000%
          QG2   THR   39 - HZ2   TRP   87  18.97 +/- 0.84   0.001% *  0.0099% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HZ2   TRP   87  16.77 +/- 0.45   0.003% *  0.0027% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HZ2   TRP   87  22.37 +/- 1.34   0.000% *  0.0129% (0.04   0.02   0.02) =   0.000%
          HG13  ILE   19 - HZ2   TRP   87  20.81 +/- 0.76   0.001% *  0.0051% (0.02   0.02   0.02) =   0.000%
          HG    LEU   71 - HZ2   TRP   87  20.46 +/- 1.29   0.001% *  0.0024% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HZ2   TRP   87  21.39 +/- 0.79   0.001% *  0.0030% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 941 (3.34, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.902, support = 5.05, residual support = 47.7:
          HB3   CYS   53 - HN    ARG+  54   3.88 +/- 0.28  49.148% * 34.3520% (0.94   5.07  29.47) =  60.456%  kept
          QB    PHE   55 - HN    ARG+  54   4.19 +/- 0.16  31.171% * 18.6442% (0.76   3.41   2.72) =  20.810%  kept
          HD2   ARG+  54 - HN    ARG+  54   4.98 +/- 0.20  11.232% * 46.5605% (0.95   6.81 156.80) =  18.727%  kept
          HB2   PHE   59 - HN    ASP-  62   5.33 +/- 0.09   7.207% *  0.0135% (0.09   0.02   6.44) =   0.003%
          HD3   PRO   93 - HN    ARG+  54   8.27 +/- 0.94   0.669% *  0.1226% (0.85   0.02   0.02) =   0.003%
          HB2   PHE   59 - HN    ARG+  54   9.74 +/- 0.30   0.202% *  0.0719% (0.50   0.02   0.02) =   0.001%
          QB    PHE   55 - HN    ASP-  62  10.44 +/- 0.19   0.129% *  0.0205% (0.14   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASP-  62  11.32 +/- 1.04   0.092% *  0.0256% (0.18   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ASP-  62  11.10 +/- 0.72   0.098% *  0.0222% (0.15   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASP-  62  12.73 +/- 0.56   0.040% *  0.0254% (0.18   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASP-  62  15.86 +/- 0.38   0.010% *  0.0229% (0.16   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ARG+  54  22.90 +/- 0.57   0.001% *  0.1186% (0.82   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 6.37, residual support = 156.8:
      O   HB2   ARG+  54 - HN    ARG+  54   3.35 +/- 0.02  99.214% * 91.0531% (0.26   6.37 156.80) =  99.999%  kept
          HB    ILE  119 - HN    ASP-  62   8.85 +/- 0.42   0.309% *  0.1088% (0.10   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP-  62  10.27 +/- 0.78   0.136% *  0.1396% (0.13   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ARG+  54  13.84 +/- 0.46   0.020% *  0.8228% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP-  62  11.88 +/- 1.11   0.057% *  0.1906% (0.18   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ARG+  54  16.79 +/- 0.94   0.007% *  0.7461% (0.69   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ARG+  54  14.24 +/- 0.54   0.017% *  0.2288% (0.21   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ARG+  54  16.90 +/- 0.37   0.006% *  0.5817% (0.54   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP-  62  13.69 +/- 0.74   0.023% *  0.1396% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ARG+  54  15.98 +/- 0.83   0.009% *  0.3505% (0.32   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASP-  62  11.61 +/- 0.34   0.059% *  0.0535% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASP-  62  14.72 +/- 0.42   0.014% *  0.1539% (0.14   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP-  62  11.84 +/- 0.96   0.056% *  0.0260% (0.02   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASP-  62  13.39 +/- 0.63   0.026% *  0.0428% (0.04   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ARG+  54  21.71 +/- 0.61   0.001% *  0.7461% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ARG+  54  23.17 +/- 1.33   0.001% *  1.0184% (0.94   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ARG+  54  22.77 +/- 0.85   0.001% *  0.8913% (0.82   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP-  62  13.70 +/- 0.38   0.022% *  0.0337% (0.03   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ARG+  54  22.39 +/- 0.61   0.001% *  0.5817% (0.54   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP-  62  18.59 +/- 0.94   0.004% *  0.1668% (0.15   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ARG+  54  18.80 +/- 0.40   0.003% *  0.1799% (0.17   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP-  62  17.62 +/- 0.45   0.005% *  0.1088% (0.10   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASP-  62  17.02 +/- 0.56   0.006% *  0.0656% (0.06   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ARG+  54  26.57 +/- 0.72   0.000% *  0.5406% (0.50   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ARG+  54  23.55 +/- 0.82   0.001% *  0.1391% (0.13   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ARG+  54  31.46 +/- 0.32   0.000% *  0.6647% (0.61   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP-  62  23.88 +/- 0.27   0.001% *  0.1244% (0.11   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP-  62  26.37 +/- 0.45   0.000% *  0.1012% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.06 A, kept.
 
    Peak 945 (1.86, 7.87, 121.30 ppm):
    26 chemical-shift based assignments, quality = 0.937, support = 6.29, residual support = 156.8:
          HG2   ARG+  54 - HN    ARG+  54   3.30 +/- 0.07  91.571% * 96.8558% (0.94   6.29 156.80) =  99.989%  kept
          HB3   PRO   52 - HN    ARG+  54   5.30 +/- 0.22   5.395% *  0.0960% (0.29   0.02   0.02) =   0.006%
          HB    ILE   56 - HN    ARG+  54   6.04 +/- 0.37   2.685% *  0.1513% (0.46   0.02   0.02) =   0.005%
          HB3   GLN   90 - HN    ARG+  54  14.51 +/- 1.22   0.015% *  0.3001% (0.91   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASP-  62  10.03 +/- 0.12   0.117% *  0.0283% (0.09   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP-  62  11.80 +/- 0.70   0.047% *  0.0577% (0.18   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ARG+  54  16.58 +/- 0.54   0.006% *  0.2788% (0.85   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ASP-  62  12.88 +/- 0.33   0.026% *  0.0561% (0.17   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ASP-  62  10.85 +/- 0.54   0.076% *  0.0180% (0.05   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASP-  62  13.92 +/- 0.50   0.017% *  0.0580% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ARG+  54  19.21 +/- 0.65   0.002% *  0.2870% (0.87   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASP-  62  14.65 +/- 0.24   0.012% *  0.0522% (0.16   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ARG+  54  20.28 +/- 0.39   0.002% *  0.3102% (0.94   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ASP-  62  14.33 +/- 0.59   0.014% *  0.0180% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ARG+  54  23.70 +/- 0.44   0.001% *  0.3082% (0.94   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP-  62  18.20 +/- 0.65   0.003% *  0.0577% (0.18   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ARG+  54  24.45 +/- 0.49   0.001% *  0.3048% (0.93   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ARG+  54  24.60 +/- 0.37   0.001% *  0.3001% (0.91   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ARG+  54  21.33 +/- 0.56   0.001% *  0.0960% (0.29   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASP-  62  20.32 +/- 0.35   0.002% *  0.0570% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ARG+  54  22.17 +/- 0.49   0.001% *  0.0615% (0.19   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP-  62  23.11 +/- 0.64   0.001% *  0.0561% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP-  62  18.25 +/- 0.48   0.003% *  0.0115% (0.04   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP-  62  24.10 +/- 0.34   0.001% *  0.0537% (0.16   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP-  62  22.54 +/- 1.43   0.001% *  0.0198% (0.06   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ARG+  54  30.78 +/- 1.23   0.000% *  0.1061% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 946 (1.42, 7.87, 121.30 ppm):
    24 chemical-shift based assignments, quality = 0.163, support = 2.79, residual support = 8.32:
          QB    ALA   61 - HN    ASP-  62   2.75 +/- 0.06  97.343% * 72.1179% (0.16   2.79   8.33) =  99.944%  kept
          QB    ALA  110 - HN    ARG+  54   5.98 +/- 0.43   1.044% *  2.9948% (0.95   0.02   0.02) =   0.045%
          QG    LYS+  66 - HN    ASP-  62   5.88 +/- 0.77   1.404% *  0.3399% (0.11   0.02   0.02) =   0.007%
          QB    ALA   61 - HN    ARG+  54   8.98 +/- 0.36   0.083% *  2.7645% (0.87   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    ASP-  62   9.98 +/- 0.64   0.049% *  0.4487% (0.14   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ASP-  62  10.73 +/- 0.31   0.028% *  0.5604% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ARG+  54  13.02 +/- 0.42   0.009% *  1.4577% (0.46   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  12.08 +/- 0.51   0.014% *  0.2728% (0.09   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ARG+  54  16.61 +/- 0.78   0.002% *  1.8164% (0.57   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ARG+  54  19.35 +/- 1.19   0.001% *  2.9882% (0.94   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ARG+  54  18.19 +/- 0.74   0.001% *  2.0572% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  14.71 +/- 0.84   0.005% *  0.5554% (0.18   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ARG+  54  20.11 +/- 0.70   0.001% *  2.9683% (0.94   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  14.57 +/- 0.68   0.005% *  0.2948% (0.09   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  14.05 +/- 0.26   0.006% *  0.2304% (0.07   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ARG+  54  20.82 +/- 0.64   0.001% *  2.3980% (0.76   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ARG+  54  18.95 +/- 0.35   0.001% *  1.2312% (0.39   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ARG+  54  21.37 +/- 1.28   0.000% *  1.5756% (0.50   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ARG+  54  21.02 +/- 0.49   0.001% *  0.7468% (0.24   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.28 +/- 0.25   0.002% *  0.1397% (0.04   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  21.52 +/- 1.16   0.000% *  0.5591% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  21.29 +/- 0.46   0.000% *  0.3849% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ARG+  54  29.84 +/- 0.97   0.000% *  0.9243% (0.29   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  23.81 +/- 1.08   0.000% *  0.1730% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 947 (3.96, 9.57, 121.38 ppm):
    12 chemical-shift based assignments, quality = 0.367, support = 3.69, residual support = 15.5:
          HD2   PRO   52 - HN    GLY   51   2.13 +/- 0.18  83.767% * 45.1929% (0.34   3.84  16.88) =  82.277%  kept
      O   HA2   GLY   51 - HN    GLY   51   2.84 +/- 0.04  16.181% * 50.3948% (0.49   3.00   9.36) =  17.722%  kept
          QB    SER   48 - HN    GLY   51   8.03 +/- 0.70   0.050% *  0.5270% (0.76   0.02   0.02) =   0.001%
          HB    THR   94 - HN    GLY   51  13.31 +/- 0.73   0.002% *  0.4461% (0.65   0.02   0.02) =   0.000%
          QB    SER   85 - HN    GLY   51  17.94 +/- 0.43   0.000% *  0.6655% (0.97   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLY   51  16.89 +/- 0.53   0.000% *  0.1208% (0.18   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    GLY   51  23.27 +/- 0.66   0.000% *  0.6365% (0.92   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLY   51  19.44 +/- 0.52   0.000% *  0.1719% (0.25   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    GLY   51  25.73 +/- 0.84   0.000% *  0.6655% (0.97   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    GLY   51  25.49 +/- 0.50   0.000% *  0.6523% (0.95   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLY   51  26.33 +/- 0.50   0.000% *  0.3904% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLY   51  30.52 +/- 0.70   0.000% *  0.1365% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 1.43, residual support = 6.79:
      O   QB    CYS   50 - HN    CYS   50   2.43 +/- 0.21  99.662% * 96.0467% (0.69   1.43   6.79) =  99.994%  kept
          HB3   ASP-  78 - HN    CYS   50   6.49 +/- 0.64   0.310% *  1.6312% (0.84   0.02   0.02) =   0.005%
          QE    LYS+  74 - HN    CYS   50   9.86 +/- 0.67   0.028% *  1.4181% (0.73   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    CYS   50  24.21 +/- 0.45   0.000% *  0.3013% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   50  29.00 +/- 0.55   0.000% *  0.6028% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 949 (0.39, 6.60, 121.96 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.2, residual support = 7.51:
          QB    ALA   47 - HN    CYS   50   2.89 +/- 0.39  99.978% * 97.8830% (0.57   2.20   7.51) = 100.000%  kept
          QB    ALA   64 - HN    CYS   50  15.03 +/- 0.54   0.007% *  1.1390% (0.73   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    CYS   50  14.64 +/- 0.43   0.008% *  0.7033% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    CYS   50  14.61 +/- 0.65   0.008% *  0.2747% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 950 (3.96, 6.63, 116.57 ppm):
    12 chemical-shift based assignments, quality = 0.397, support = 3.93, residual support = 14.7:
          QB    SER   48 - HN    TRP   49   3.19 +/- 0.25  62.034% * 63.9779% (0.45   3.94  14.67) =  77.224%  kept
      O   HA    SER   48 - HN    TRP   49   3.49 +/- 0.04  36.912% * 31.7036% (0.22   3.93  14.67) =  22.770%  kept
          HD2   PRO   52 - HN    TRP   49   7.60 +/- 0.98   0.505% *  0.4690% (0.65   0.02   0.02) =   0.005%
          HA2   GLY   51 - HN    TRP   49   7.13 +/- 0.37   0.513% *  0.1614% (0.22   0.02   0.02) =   0.002%
          QB    SER   85 - HN    TRP   49  13.77 +/- 0.43   0.010% *  0.6997% (0.97   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    TRP   49  13.32 +/- 0.42   0.012% *  0.2981% (0.41   0.02   0.02) =   0.000%
          HB    THR   94 - HN    TRP   49  13.31 +/- 0.37   0.012% *  0.2473% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    TRP   49  23.34 +/- 0.54   0.000% *  0.7186% (0.99   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    TRP   49  24.79 +/- 0.84   0.000% *  0.6997% (0.97   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    TRP   49  27.70 +/- 0.37   0.000% *  0.4980% (0.69   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    TRP   49  27.33 +/- 0.50   0.000% *  0.3250% (0.45   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    TRP   49  28.15 +/- 0.27   0.000% *  0.2016% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 952 (3.15, 6.63, 116.57 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 80.9:
      O   HB3   TRP   49 - HN    TRP   49   3.23 +/- 0.20  99.995% * 99.4817% (0.80   4.00  80.86) = 100.000%  kept
          HB3   PHE   59 - HN    TRP   49  16.96 +/- 0.27   0.005% *  0.5183% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 0.423, support = 2.61, residual support = 9.72:
      O   QB    SER   48 - HN    SER   48   2.21 +/- 0.11  79.973% * 62.5678% (0.45   2.61   9.72) =  88.961%  kept
      O   HA    SER   48 - HN    SER   48   2.79 +/- 0.02  19.982% * 31.0702% (0.22   2.61   9.72) =  11.038%  kept
          HD2   PRO   52 - HN    SER   48   9.41 +/- 1.06   0.019% *  0.6910% (0.65   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER   48   8.98 +/- 0.28   0.018% *  0.2378% (0.22   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER   48  12.51 +/- 0.52   0.002% *  1.0308% (0.97   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER   48  12.55 +/- 0.83   0.003% *  0.4391% (0.41   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   48  12.65 +/- 0.48   0.002% *  0.3643% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   48  22.21 +/- 0.90   0.000% *  1.0586% (0.99   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   48  23.30 +/- 1.12   0.000% *  1.0308% (0.97   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   48  25.06 +/- 0.55   0.000% *  0.4789% (0.45   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   48  27.24 +/- 0.56   0.000% *  0.7337% (0.69   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    SER   48  27.54 +/- 0.33   0.000% *  0.2970% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (0.38, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.07, residual support = 6.13:
          QB    ALA   47 - HN    SER   48   2.84 +/- 0.19  99.986% * 99.1182% (0.90   4.07   6.13) = 100.000%  kept
          QG1   VAL   42 - HN    SER   48  14.46 +/- 0.44   0.007% *  0.4347% (0.80   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    SER   48  15.05 +/- 0.68   0.005% *  0.2037% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    SER   48  17.49 +/- 0.87   0.002% *  0.2434% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 957 (3.40, 7.01, 120.97 ppm):
    2 chemical-shift based assignments, quality = 0.828, support = 0.02, residual support = 0.02:
          HB2   PHE   60 - HN    ALA   47  10.61 +/- 0.47  88.602% * 52.2208% (0.84   0.02   0.02) =  89.469%  kept
          HB2   TRP   87 - HN    ALA   47  15.03 +/- 0.37  11.398% * 47.7792% (0.76   0.02   0.02) =  10.531%  kept
    Distance limit 4.22 A violated in 20 structures by 6.18 A, eliminated.
    Peak unassigned.
 
    Peak 958 (2.79, 7.01, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 1.5, residual support = 7.5:
          QB    CYS   50 - HN    ALA   47   2.30 +/- 0.47  99.295% * 96.8729% (0.97   1.50   7.51) =  99.993%  kept
          QE    LYS+  74 - HN    ALA   47   7.55 +/- 0.95   0.320% *  1.3119% (0.98   0.02   0.02) =   0.004%
          HB3   ASP-  78 - HN    ALA   47   6.40 +/- 0.62   0.381% *  0.6515% (0.49   0.02   0.75) =   0.003%
          HB2   PHE   72 - HN    ALA   47  15.04 +/- 0.99   0.003% *  0.2980% (0.22   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ALA   47  26.22 +/- 0.33   0.000% *  0.8658% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 959 (0.74, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.2, residual support = 12.6:
          QG2   THR   46 - HN    ALA   47   3.55 +/- 0.32  99.720% * 97.5639% (0.97   3.20  12.65) =  99.999%  kept
          QG2   VAL   18 - HN    ALA   47  10.52 +/- 0.51   0.163% *  0.5672% (0.90   0.02   0.02) =   0.001%
          QG1   VAL   43 - HN    ALA   47  11.77 +/- 0.43   0.082% *  0.4344% (0.69   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    ALA   47  14.94 +/- 0.62   0.020% *  0.5983% (0.95   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    ALA   47  16.80 +/- 0.50   0.010% *  0.3079% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ALA   47  20.21 +/- 0.19   0.003% *  0.5283% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 10.6:
      O   QB    ALA   47 - HN    ALA   47   2.34 +/- 0.05  99.988% * 98.0235% (0.57   2.36  10.61) = 100.000%  kept
          QG1   VAL   42 - HN    ALA   47  11.87 +/- 0.27   0.006% *  0.6566% (0.45   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    ALA   47  13.16 +/- 0.40   0.003% *  1.0634% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    ALA   47  13.49 +/- 0.85   0.003% *  0.2565% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.80 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   3.28 +/- 0.21  99.898% * 96.2187% (0.25   3.25  34.52) =  99.999%  kept
          HB2   HIS   22 - HN    THR   46  10.75 +/- 0.47   0.087% *  0.8102% (0.34   0.02   0.02) =   0.001%
          HA    LYS+ 112 - HN    THR   46  14.78 +/- 0.36   0.013% *  1.8151% (0.76   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    THR   46  19.66 +/- 0.49   0.002% *  1.1561% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 962 (1.32, 8.46, 117.19 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 3.72, residual support = 12.2:
          QG2   THR   77 - HN    THR   46   2.95 +/- 0.18  99.050% * 95.7836% (0.61   3.72  12.25) =  99.998%  kept
          HB3   ASP-  44 - HN    THR   46   6.83 +/- 0.20   0.683% *  0.1891% (0.22   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    THR   46   8.35 +/- 0.37   0.220% *  0.3492% (0.41   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    THR   46  12.11 +/- 0.38   0.022% *  0.8036% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   46  13.01 +/- 0.34   0.014% *  0.2622% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   46  15.27 +/- 0.39   0.005% *  0.5495% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   46  16.13 +/- 0.35   0.004% *  0.4810% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   46  21.39 +/- 0.38   0.001% *  0.7619% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   46  24.16 +/- 0.88   0.000% *  0.8198% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 963 (1.03, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.898, support = 0.02, residual support = 0.02:
          QG2   VAL  108 - HN    THR   46  12.40 +/- 0.80  49.584% * 32.0586% (0.99   0.02   0.02) =  59.591%  kept
          QD1   ILE  119 - HN    THR   46  13.68 +/- 0.61  27.600% * 25.8997% (0.80   0.02   0.02) =  26.798%  kept
          HB2   LEU  104 - HN    THR   46  17.57 +/- 0.19   6.129% * 32.0586% (0.99   0.02   0.02) =   7.366%  kept
          HG3   LYS+ 112 - HN    THR   46  14.91 +/- 0.85  16.686% *  9.9831% (0.31   0.02   0.02) =   6.245%  kept
    Distance limit 4.65 A violated in 20 structures by 6.33 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   2.37 +/- 0.24  99.764% * 97.4006% (0.97   3.39  34.52) =  99.999%  kept
          QG1   VAL   43 - HN    THR   46   8.21 +/- 0.40   0.108% *  0.5638% (0.95   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    THR   46   8.52 +/- 0.55   0.062% *  0.5947% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    THR   46   9.48 +/- 0.83   0.050% *  0.0920% (0.15   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    THR   46  11.99 +/- 0.57   0.008% *  0.4094% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    THR   46  13.27 +/- 0.51   0.004% *  0.4773% (0.80   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    THR   46  14.12 +/- 0.31   0.003% *  0.1486% (0.25   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    THR   46  17.31 +/- 0.21   0.001% *  0.3136% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 1.92:
          QG1   VAL   75 - HN    THR   46   3.42 +/- 0.44  99.878% * 99.0129% (0.92   1.66   1.92) =  99.999%  kept
          QD1   LEU  115 - HN    THR   46  11.12 +/- 0.68   0.122% *  0.9871% (0.76   0.02   0.02) =   0.001%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 966 (3.96, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.3, residual support = 27.2:
          HB    THR   94 - HN    PHE   45   4.06 +/- 0.16  99.412% * 94.1909% (0.65   3.30  27.20) =  99.997%  kept
          QB    SER   48 - HN    PHE   45  11.51 +/- 0.20   0.199% *  0.6747% (0.76   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    PHE   45  12.84 +/- 1.24   0.126% *  0.3012% (0.34   0.02   0.02) =   0.000%
          QB    SER   85 - HN    PHE   45  14.77 +/- 0.16   0.044% *  0.8520% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   45  14.28 +/- 0.32   0.054% *  0.4297% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    PHE   45  16.96 +/- 0.36   0.019% *  0.8150% (0.92   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   45  14.43 +/- 0.29   0.051% *  0.2201% (0.25   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    PHE   45  18.48 +/- 0.26   0.011% *  0.8352% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    PHE   45  18.89 +/- 0.43   0.010% *  0.8520% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   45  17.61 +/- 0.20   0.015% *  0.4998% (0.57   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    PHE   45  14.70 +/- 0.43   0.048% *  0.1546% (0.18   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    PHE   45  18.38 +/- 0.50   0.012% *  0.1747% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 967 (3.06, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.66, residual support = 77.2:
      O   HB2   PHE   45 - HN    PHE   45   2.18 +/- 0.03  99.983% * 99.2187% (0.99   3.66  77.24) = 100.000%  kept
          HB2   CYS   21 - HN    PHE   45   9.58 +/- 0.38   0.014% *  0.2452% (0.45   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    PHE   45  13.00 +/- 0.42   0.002% *  0.5361% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 968 (2.43, 8.74, 125.75 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.99, residual support = 77.2:
      O   HB3   PHE   45 - HN    PHE   45   3.45 +/- 0.02  98.729% * 98.0641% (0.87   3.99  77.24) =  99.997%  kept
          HB    VAL  107 - HN    PHE   45   7.42 +/- 0.85   1.180% *  0.2542% (0.45   0.02   0.02) =   0.003%
          QE    LYS+ 112 - HN    PHE   45  12.23 +/- 0.52   0.052% *  0.4917% (0.87   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    PHE   45  14.69 +/- 0.63   0.017% *  0.4539% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    PHE   45  14.29 +/- 0.30   0.020% *  0.2128% (0.38   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   45  20.04 +/- 0.42   0.003% *  0.5233% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 0.456, support = 3.37, residual support = 12.4:
          HB3   ASP-  44 - HN    PHE   45   4.38 +/- 0.12  61.763% * 64.8454% (0.49   3.53  12.78) =  82.855%  kept
          QG2   THR   77 - HN    PHE   45   5.03 +/- 0.13  27.475% * 30.1034% (0.31   2.58  10.72) =  17.111%  kept
          HB3   PRO   93 - HN    PHE   45   6.25 +/- 0.61   9.096% *  0.1164% (0.15   0.02   0.02) =   0.022%
          HB3   LEU   80 - HN    PHE   45  10.65 +/- 0.48   0.316% *  0.5480% (0.73   0.02   0.02) =   0.004%
          HB2   LEU   63 - HN    PHE   45  10.73 +/- 0.27   0.289% *  0.4578% (0.61   0.02   0.02) =   0.003%
          HG2   LYS+ 111 - HN    PHE   45  12.55 +/- 0.34   0.113% *  0.6967% (0.92   0.02   0.02) =   0.002%
          QB    ALA   84 - HN    PHE   45   9.80 +/- 0.17   0.496% *  0.1322% (0.18   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    PHE   45  11.07 +/- 1.38   0.298% *  0.1882% (0.25   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    PHE   45  13.17 +/- 0.44   0.086% *  0.5184% (0.69   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    PHE   45  14.98 +/- 0.47   0.039% *  0.6547% (0.87   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    PHE   45  17.88 +/- 0.44   0.014% *  0.7530% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   45  21.51 +/- 0.78   0.005% *  0.7283% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   45  18.80 +/- 0.58   0.010% *  0.2574% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.01 A, kept.
 
    Peak 970 (0.08, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.874, support = 0.02, residual support = 2.42:
          QD1   ILE   89 - HN    PHE   45   7.38 +/- 0.28  54.795% * 30.6068% (0.80   0.02   3.01) =  50.667%  kept
          QG2   VAL   83 - HN    PHE   45   8.03 +/- 0.41  34.238% * 37.4664% (0.98   0.02   2.31) =  38.755%  kept
          QD2   LEU   31 - HN    PHE   45   9.70 +/- 0.42  10.967% * 31.9268% (0.84   0.02   0.02) =  10.578%  kept
    Distance limit 4.36 A violated in 20 structures by 2.31 A, eliminated.
    Peak unassigned.
 
    Peak 971 (2.42, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.1, residual support = 12.5:
          HB3   PHE   45 - HN    THR   46   3.57 +/- 0.16  99.799% * 98.4422% (1.00   4.10  12.49) =  99.999%  kept
          HB    VAL  107 - HN    THR   46  11.34 +/- 0.79   0.109% *  0.3852% (0.80   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    THR   46  13.45 +/- 0.71   0.040% *  0.4800% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    THR   46  14.18 +/- 0.49   0.027% *  0.2157% (0.45   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    THR   46  19.71 +/- 0.40   0.004% *  0.2918% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    THR   46  15.73 +/- 0.38   0.015% *  0.0651% (0.14   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    THR   46  18.17 +/- 0.94   0.006% *  0.1200% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 973 (6.59, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 0.869, residual support = 8.77:
          HN    CYS   50 - HN    CYS   53   4.93 +/- 0.22  99.969% * 97.5035% (0.87   0.87   8.77) =  99.999%  kept
        T HN    VAL   83 - HN    CYS   53  19.05 +/- 0.60   0.031% *  2.4965% (0.97   0.02   0.02) =   0.001%
    Distance limit 4.77 A violated in 4 structures by 0.18 A, kept.
 
    Peak 974 (4.53, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 7.63, residual support = 51.5:
      O   HA    PRO   52 - HN    CYS   53   3.37 +/- 0.02  99.912% * 99.5705% (0.61   7.63  51.51) = 100.000%  kept
          HA    LYS+ 111 - HN    CYS   53  10.93 +/- 0.39   0.088% *  0.4295% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 4.79, residual support = 41.7:
      O   HA    CYS   53 - HN    CYS   53   2.74 +/- 0.04  99.996% * 98.7733% (0.90   4.79  41.72) = 100.000%  kept
          HA    GLU- 114 - HN    CYS   53  16.50 +/- 0.37   0.002% *  0.1892% (0.41   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    CYS   53  18.26 +/- 0.52   0.001% *  0.2977% (0.65   0.02   0.02) =   0.000%
          HA    THR   26 - HN    CYS   53  24.45 +/- 0.47   0.000% *  0.3517% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    CYS   53  25.68 +/- 0.54   0.000% *  0.1892% (0.41   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    CYS   53  27.07 +/- 1.12   0.000% *  0.1280% (0.28   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    CYS   53  26.22 +/- 0.45   0.000% *  0.0710% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.378, support = 6.23, residual support = 38.7:
          HD2   PRO   52 - HN    CYS   53   3.38 +/- 0.56  66.554% * 57.6252% (0.34   7.18  51.51) =  74.657%  kept
          HA2   GLY   51 - HN    CYS   53   3.95 +/- 0.15  33.071% * 39.3618% (0.49   3.43   0.87) =  25.340%  kept
          QB    SER   48 - HN    CYS   53   8.68 +/- 0.40   0.299% *  0.3598% (0.76   0.02   0.02) =   0.002%
          HB    THR   94 - HN    CYS   53  11.19 +/- 0.68   0.060% *  0.3046% (0.65   0.02   0.02) =   0.000%
          QB    SER   85 - HN    CYS   53  18.48 +/- 0.49   0.003% *  0.4544% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    CYS   53  19.90 +/- 0.53   0.002% *  0.4347% (0.92   0.02   0.02) =   0.000%
          QB    SER  117 - HN    CYS   53  16.74 +/- 0.40   0.005% *  0.1174% (0.25   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    CYS   53  21.96 +/- 0.42   0.001% *  0.4454% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    CYS   53  22.62 +/- 0.76   0.001% *  0.4544% (0.97   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    CYS   53  17.72 +/- 0.61   0.004% *  0.0825% (0.18   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    CYS   53  22.93 +/- 0.39   0.001% *  0.2666% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    CYS   53  28.26 +/- 0.55   0.000% *  0.0932% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 0.859, support = 5.37, residual support = 44.6:
      O   HB2   CYS   53 - HN    CYS   53   2.41 +/- 0.36  64.946% * 56.1453% (0.98   4.89  41.72) =  70.671%  kept
          HD3   PRO   52 - HN    CYS   53   2.75 +/- 0.55  34.952% * 43.2961% (0.57   6.53  51.51) =  29.329%  kept
          HD2   PRO   58 - HN    CYS   53   7.64 +/- 0.32   0.102% *  0.1514% (0.65   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    CYS   53  19.74 +/- 0.67   0.000% *  0.1325% (0.57   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    CYS   53  24.60 +/- 0.64   0.000% *  0.1514% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    CYS   53  29.50 +/- 0.52   0.000% *  0.1232% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.33, 8.09, 110.83 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.35, residual support = 40.7:
      O   HB3   CYS   53 - HN    CYS   53   2.79 +/- 0.47  91.604% * 70.2885% (0.97   5.43  41.72) =  97.467%  kept
          QB    PHE   55 - HN    CYS   53   4.80 +/- 0.40   5.801% * 28.7259% (0.97   2.22   0.02) =   2.523%  kept
          HD3   PRO   93 - HN    CYS   53   5.83 +/- 0.88   2.252% *  0.2675% (1.00   0.02   0.02) =   0.009%
          HD2   ARG+  54 - HN    CYS   53   7.66 +/- 0.23   0.299% *  0.2475% (0.92   0.02  29.47) =   0.001%
          HB2   PHE   59 - HN    CYS   53  10.43 +/- 0.49   0.043% *  0.2049% (0.76   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    CYS   53  24.08 +/- 0.62   0.000% *  0.2657% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 3.64, residual support = 8.77:
          QB    CYS   50 - HN    CYS   53   2.74 +/- 0.59  99.849% * 98.4057% (0.69   3.64   8.77) =  99.999%  kept
          QE    LYS+  74 - HN    CYS   53   9.53 +/- 0.52   0.103% *  0.5719% (0.73   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HN    CYS   53  10.81 +/- 0.88   0.047% *  0.6578% (0.84   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    CYS   53  21.12 +/- 0.57   0.001% *  0.1215% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   53  27.49 +/- 0.68   0.000% *  0.2431% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 980 (2.30, 8.09, 110.83 ppm):
    11 chemical-shift based assignments, quality = 0.249, support = 7.33, residual support = 51.5:
          HG2   PRO   52 - HN    CYS   53   4.48 +/- 0.05  94.202% * 95.0648% (0.25   7.33  51.51) =  99.954%  kept
          HG2   MET   92 - HN    CYS   53   8.97 +/- 1.92   4.694% *  0.7947% (0.76   0.02   0.02) =   0.042%
          QG    GLU- 114 - HN    CYS   53  12.31 +/- 0.47   0.221% *  0.7143% (0.69   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HN    CYS   53  10.93 +/- 0.51   0.463% *  0.2593% (0.25   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    CYS   53  13.97 +/- 0.43   0.103% *  0.6307% (0.61   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    CYS   53  11.99 +/- 0.67   0.269% *  0.1407% (0.14   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYS   53  16.90 +/- 0.80   0.034% *  0.1821% (0.18   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   53  22.33 +/- 1.01   0.006% *  0.3547% (0.34   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   53  22.94 +/- 1.61   0.006% *  0.2315% (0.22   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   53  30.72 +/- 2.74   0.001% *  0.8326% (0.80   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    CYS   53  32.33 +/- 0.85   0.001% *  0.7947% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (2.08, 8.09, 110.83 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 7.33, residual support = 51.5:
          HG3   PRO   52 - HN    CYS   53   3.45 +/- 0.08  85.303% * 98.9054% (0.98   7.33  51.51) =  99.982%  kept
          HB2   PRO   93 - HN    CYS   53   5.06 +/- 0.73  11.302% *  0.1131% (0.41   0.02   0.02) =   0.015%
          HB2   ARG+  54 - HN    CYS   53   5.96 +/- 0.11   3.210% *  0.0482% (0.18   0.02  29.47) =   0.002%
          HG2   PRO   58 - HN    CYS   53   9.78 +/- 0.28   0.169% *  0.2698% (0.98   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    CYS   53  14.61 +/- 0.77   0.015% *  0.0372% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    CYS   53  26.27 +/- 2.01   0.001% *  0.2746% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    CYS   53  25.50 +/- 1.07   0.001% *  0.0765% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    CYS   53  34.17 +/- 3.24   0.000% *  0.2752% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 0.661, support = 7.17, residual support = 50.2:
      O   HB3   PRO   52 - HN    CYS   53   3.77 +/- 0.05  85.582% * 56.5505% (0.65   7.37  51.51) =  94.272%  kept
          HG2   ARG+  54 - HN    CYS   53   5.74 +/- 0.20   7.022% * 41.8290% (0.90   3.93  29.47) =   5.721%  kept
          HB    ILE   56 - HN    CYS   53   5.79 +/- 0.46   7.257% *  0.0470% (0.20   0.02   0.02) =   0.007%
          HB3   GLN   90 - HN    CYS   53  12.00 +/- 1.17   0.099% *  0.1630% (0.69   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    CYS   53  15.52 +/- 0.60   0.018% *  0.1343% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    CYS   53  17.69 +/- 0.43   0.008% *  0.1439% (0.61   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    CYS   53  19.90 +/- 0.48   0.004% *  0.2058% (0.87   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    CYS   53  23.37 +/- 0.58   0.002% *  0.2190% (0.92   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    CYS   53  22.30 +/- 0.59   0.002% *  0.1535% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    CYS   53  23.67 +/- 0.52   0.001% *  0.1813% (0.76   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    CYS   53  22.00 +/- 0.86   0.002% *  0.0890% (0.38   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    CYS   53  25.86 +/- 0.49   0.001% *  0.2244% (0.95   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    CYS   53  21.75 +/- 0.73   0.002% *  0.0592% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 5.82, residual support = 44.7:
        T HN    GLN   32 - HN    LEU   31   2.85 +/- 0.05  95.929% * 98.9853% (0.78   5.82  44.70) =  99.997%  kept
          HN    ALA   34 - HN    LEU   31   4.86 +/- 0.13   4.016% *  0.0628% (0.14   0.02   3.88) =   0.003%
          HN    THR   94 - HN    PHE   55  10.20 +/- 0.66   0.050% *  0.0495% (0.11   0.02   0.02) =   0.000%
          HN    SER   85 - HN    LEU   31  16.95 +/- 0.38   0.002% *  0.4062% (0.93   0.02   0.02) =   0.000%
          HN    THR   94 - HN    LEU   31  17.11 +/- 0.48   0.002% *  0.1015% (0.23   0.02   0.02) =   0.000%
          HN    SER   85 - HN    PHE   55  22.24 +/- 0.60   0.000% *  0.1981% (0.45   0.02   0.02) =   0.000%
        T HN    GLN   32 - HN    PHE   55  27.40 +/- 0.54   0.000% *  0.1659% (0.38   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    PHE   55  25.98 +/- 0.42   0.000% *  0.0306% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.538, support = 6.87, residual support = 49.6:
        T HN    GLN   30 - HN    LEU   31   2.45 +/- 0.07  95.921% * 58.0520% (0.53   6.99  51.12) =  97.065%  kept
          HN    GLU-  29 - HN    LEU   31   4.16 +/- 0.19   4.074% * 41.3233% (0.91   2.88   0.02) =   2.935%  kept
          HN    ASP-  86 - HN    LEU   31  16.72 +/- 0.54   0.001% *  0.1897% (0.60   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    LEU   31  14.52 +/- 0.33   0.002% *  0.0815% (0.26   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    PHE   55  15.64 +/- 0.61   0.001% *  0.0398% (0.13   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    PHE   55  23.11 +/- 0.63   0.000% *  0.0925% (0.29   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    PHE   55  26.48 +/- 0.56   0.000% *  0.1402% (0.44   0.02   0.02) =   0.000%
        T HN    GLN   30 - HN    PHE   55  24.90 +/- 0.54   0.000% *  0.0810% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 985 (4.47, 7.84, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.482, support = 2.92, residual support = 19.7:
      O   HA    PHE   55 - HN    PHE   55   2.85 +/- 0.04  92.173% * 94.1006% (0.48   2.92  19.74) =  99.980%  kept
          HA    TRP   27 - HN    LEU   31   4.37 +/- 0.18   7.367% *  0.1792% (0.13   0.02  16.57) =   0.015%
          HA    ALA  110 - HN    PHE   55   7.17 +/- 0.58   0.429% *  0.9530% (0.71   0.02   0.47) =   0.005%
          HA    ALA   91 - HN    PHE   55  12.25 +/- 1.40   0.018% *  0.4369% (0.33   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    PHE   55  14.12 +/- 0.42   0.006% *  0.6016% (0.45   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    PHE   55  15.52 +/- 0.77   0.004% *  0.8509% (0.64   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LEU   31  20.39 +/- 0.57   0.001% *  0.6445% (0.48   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   31  22.35 +/- 0.53   0.000% *  0.7219% (0.54   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   31  20.88 +/- 0.59   0.001% *  0.4557% (0.34   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   31  20.60 +/- 1.15   0.001% *  0.3309% (0.25   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    PHE   55  22.14 +/- 0.53   0.000% *  0.2366% (0.18   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LEU   31  25.91 +/- 0.50   0.000% *  0.4882% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 986 (3.33, 7.84, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.787, support = 3.1, residual support = 19.7:
      O   QB    PHE   55 - HN    PHE   55   1.98 +/- 0.06  99.455% * 94.5364% (0.79   3.10  19.74) =  99.997%  kept
          HB3   CYS   53 - HN    PHE   55   5.41 +/- 0.22   0.246% *  0.5682% (0.73   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HN    PHE   55   5.51 +/- 0.40   0.258% *  0.5339% (0.69   0.02   2.72) =   0.001%
          HD3   PRO   93 - HN    PHE   55   8.42 +/- 0.79   0.020% *  0.6141% (0.79   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    PHE   55   8.19 +/- 0.29   0.021% *  0.5141% (0.66   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    LEU   31  19.00 +/- 0.47   0.000% *  0.4662% (0.60   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    LEU   31  20.21 +/- 0.49   0.000% *  0.3894% (0.50   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   55  22.05 +/- 0.64   0.000% *  0.6155% (0.79   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   31  21.01 +/- 0.66   0.000% *  0.4304% (0.56   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   31  21.63 +/- 0.47   0.000% *  0.4652% (0.60   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   31  23.06 +/- 0.79   0.000% *  0.4621% (0.60   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   31  26.10 +/- 1.21   0.000% *  0.4044% (0.52   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 0.458, support = 3.46, residual support = 15.6:
          HA    ASN   28 - HN    LEU   31   3.09 +/- 0.12  67.280% * 65.5985% (0.50   3.52  18.30) =  82.833%  kept
      O   HA    ARG+  54 - HN    PHE   55   3.51 +/- 0.03  31.576% * 28.9555% (0.25   3.18   2.72) =  17.160%  kept
          HA    THR   26 - HN    LEU   31   6.56 +/- 0.22   0.750% *  0.2890% (0.39   0.02   0.02) =   0.004%
          HA    ALA   34 - HN    LEU   31   7.56 +/- 0.18   0.325% *  0.4311% (0.58   0.02   3.88) =   0.003%
          HA1   GLY  101 - HN    LEU   31  11.36 +/- 1.62   0.036% *  0.4458% (0.60   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    PHE   55  11.78 +/- 0.55   0.023% *  0.5116% (0.69   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    PHE   55  14.51 +/- 0.38   0.006% *  0.5579% (0.75   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   31  22.46 +/- 0.63   0.000% *  0.3875% (0.52   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    PHE   55  25.58 +/- 0.61   0.000% *  0.4926% (0.66   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    PHE   55  26.24 +/- 0.38   0.000% *  0.5692% (0.77   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    PHE   55  27.42 +/- 0.94   0.000% *  0.5885% (0.79   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   31  26.39 +/- 0.74   0.000% *  0.4226% (0.57   0.02   0.02) =   0.000%
          HA    THR   26 - HN    PHE   55  26.06 +/- 0.55   0.000% *  0.3815% (0.51   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   31  23.31 +/- 0.73   0.000% *  0.1379% (0.19   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    PHE   55  24.76 +/- 0.42   0.000% *  0.1313% (0.18   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   31  27.59 +/- 0.79   0.000% *  0.0995% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 7.01, residual support = 227.4:
      O   HA    LEU   31 - HN    LEU   31   2.75 +/- 0.01 100.000% * 99.8609% (0.60   7.01 227.41) = 100.000%  kept
          HA    LEU   31 - HN    PHE   55  24.39 +/- 0.51   0.000% *  0.1391% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.472, support = 5.37, residual support = 34.8:
          HB2   GLN   30 - HN    LEU   31   3.85 +/- 0.23  32.782% * 34.9962% (0.48   6.24  51.12) =  47.296%  kept
          HB2   ARG+  54 - HN    PHE   55   3.51 +/- 0.18  55.548% * 14.6917% (0.39   3.26   2.72) =  33.644%  kept
          HG3   GLN   30 - HN    LEU   31   4.88 +/- 0.44   9.584% * 48.2315% (0.60   6.95  51.12) =  19.056%  kept
          HB2   PRO   93 - HN    PHE   55   6.55 +/- 0.83   1.839% *  0.0412% (0.18   0.02   0.02) =   0.003%
          HB3   GLU-  25 - HN    LEU   31   9.70 +/- 0.45   0.132% *  0.0432% (0.19   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    PHE   55  11.67 +/- 0.43   0.042% *  0.1047% (0.45   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    PHE   55  14.76 +/- 0.43   0.010% *  0.1481% (0.64   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   55  14.35 +/- 0.85   0.013% *  0.1047% (0.45   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU   31  13.83 +/- 1.38   0.019% *  0.0682% (0.29   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LEU   31  15.24 +/- 0.64   0.008% *  0.1215% (0.52   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU   31  15.58 +/- 0.45   0.007% *  0.0682% (0.29   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   55  17.33 +/- 0.96   0.004% *  0.0900% (0.39   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LEU   31  18.84 +/- 0.67   0.002% *  0.1215% (0.52   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    PHE   55  22.65 +/- 1.20   0.001% *  0.1604% (0.69   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    PHE   55  23.56 +/- 0.92   0.001% *  0.1833% (0.79   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    PHE   55  22.96 +/- 0.63   0.001% *  0.1481% (0.64   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   55  21.89 +/- 0.67   0.001% *  0.0900% (0.39   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LEU   31  24.46 +/- 0.67   0.000% *  0.1122% (0.48   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LEU   31  20.06 +/- 0.87   0.002% *  0.0312% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LEU   31  23.74 +/- 0.74   0.001% *  0.0793% (0.34   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LEU   31  25.95 +/- 0.78   0.000% *  0.0793% (0.34   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LEU   31  26.09 +/- 0.77   0.000% *  0.0682% (0.29   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    PHE   55  30.76 +/- 0.33   0.000% *  0.1604% (0.69   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   55  28.00 +/- 0.69   0.000% *  0.0571% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 990 (1.34, 7.85, 118.81 ppm):
    24 chemical-shift based assignments, quality = 0.777, support = 7.14, residual support = 227.4:
      O   HB2   LEU   31 - HN    LEU   31   2.58 +/- 0.21  99.468% * 96.0088% (0.78   7.14 227.41) =  99.999%  kept
          HB3   PRO   93 - HN    PHE   55   6.81 +/- 0.62   0.421% *  0.1140% (0.33   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LEU   31  10.51 +/- 1.01   0.031% *  0.2791% (0.81   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   31  11.50 +/- 0.38   0.014% *  0.3044% (0.88   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    PHE   55  11.02 +/- 0.34   0.019% *  0.1566% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   31  12.26 +/- 0.44   0.010% *  0.1208% (0.35   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    PHE   55  12.45 +/- 0.62   0.010% *  0.1200% (0.35   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   31  14.57 +/- 0.47   0.004% *  0.3211% (0.93   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   31  13.98 +/- 0.32   0.005% *  0.2459% (0.71   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    PHE   55  13.21 +/- 0.31   0.006% *  0.1556% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   31  14.17 +/- 0.71   0.004% *  0.1566% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   31  17.32 +/- 0.67   0.001% *  0.3189% (0.92   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    PHE   55  15.77 +/- 0.49   0.002% *  0.1200% (0.35   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   31  16.19 +/- 1.19   0.002% *  0.0637% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   31  20.43 +/- 0.90   0.000% *  0.2337% (0.68   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    PHE   55  19.19 +/- 0.74   0.001% *  0.1485% (0.43   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   55  20.33 +/- 0.54   0.000% *  0.1485% (0.43   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   31  23.22 +/- 1.13   0.000% *  0.3044% (0.88   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   55  21.54 +/- 1.40   0.000% *  0.1362% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   31  25.94 +/- 0.58   0.000% *  0.2459% (0.71   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    PHE   55  18.50 +/- 0.84   0.001% *  0.0311% (0.09   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   55  25.96 +/- 0.54   0.000% *  0.1311% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   55  26.67 +/- 0.35   0.000% *  0.0764% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   55  31.39 +/- 1.19   0.000% *  0.0589% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 991 (1.13, 7.85, 118.81 ppm):
    14 chemical-shift based assignments, quality = 0.834, support = 7.14, residual support = 227.4:
      O   HB3   LEU   31 - HN    LEU   31   3.51 +/- 0.02  98.038% * 98.4095% (0.83   7.14 227.41) =  99.998%  kept
          QG1   VAL   24 - HN    LEU   31   7.89 +/- 0.54   0.832% *  0.0684% (0.21   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    LEU   31  10.63 +/- 0.18   0.127% *  0.2755% (0.83   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    PHE   55   8.48 +/- 0.71   0.610% *  0.0463% (0.14   0.02   0.68) =   0.000%
          QG2   VAL  107 - HN    PHE   55   9.18 +/- 0.35   0.315% *  0.0463% (0.14   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    PHE   55  13.13 +/- 0.31   0.036% *  0.1383% (0.42   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    PHE   55  13.90 +/- 0.62   0.026% *  0.1344% (0.41   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    LEU   31  17.60 +/- 0.51   0.006% *  0.0948% (0.29   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    LEU   31  22.10 +/- 0.73   0.002% *  0.2836% (0.86   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    PHE   55  20.79 +/- 0.36   0.002% *  0.0788% (0.24   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    LEU   31  23.48 +/- 0.58   0.001% *  0.1616% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    PHE   55  25.33 +/- 0.70   0.001% *  0.1344% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    PHE   55  20.25 +/- 0.80   0.003% *  0.0334% (0.10   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LEU   31  27.80 +/- 1.15   0.000% *  0.0948% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 992 (0.79, 7.85, 118.81 ppm):
    10 chemical-shift based assignments, quality = 0.639, support = 7.62, residual support = 227.4:
          HG    LEU   31 - HN    LEU   31   2.45 +/- 0.55  94.316% * 98.3712% (0.64   7.62 227.41) =  99.986%  kept
          QD2   LEU   73 - HN    LEU   31   5.67 +/- 0.52   2.442% *  0.3138% (0.78   0.02   3.24) =   0.008%
          QD1   ILE   56 - HN    PHE   55   4.93 +/- 0.25   2.728% *  0.1817% (0.45   0.02  16.20) =   0.005%
          QG1   VAL   41 - HN    LEU   31   6.45 +/- 0.36   0.510% *  0.0658% (0.16   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    PHE   55  15.82 +/- 0.85   0.002% *  0.1531% (0.38   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    LEU   31  19.42 +/- 0.47   0.001% *  0.3724% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   31  22.06 +/- 0.60   0.000% *  0.2581% (0.64   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    PHE   55  20.08 +/- 0.55   0.001% *  0.1259% (0.31   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    PHE   55  24.07 +/- 0.60   0.000% *  0.1259% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    PHE   55  19.36 +/- 0.46   0.001% *  0.0321% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 2 structures by 0.06 A, kept.
 
    Peak 993 (0.04, 7.85, 118.81 ppm):
    4 chemical-shift based assignments, quality = 0.184, support = 6.9, residual support = 227.4:
          QD2   LEU   31 - HN    LEU   31   2.08 +/- 0.13  99.947% * 97.7505% (0.18   6.90 227.41) =  99.999%  kept
          QG2   VAL   43 - HN    LEU   31   7.55 +/- 0.39   0.051% *  1.4191% (0.92   0.02   0.02) =   0.001%
          QG2   VAL   43 - HN    PHE   55  13.43 +/- 0.37   0.002% *  0.6923% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   31 - HN    PHE   55  18.68 +/- 0.45   0.000% *  0.1382% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 0.602, support = 2.02, residual support = 3.24:
          QD1   LEU   73 - HN    LEU   31   3.76 +/- 0.23  96.833% * 90.8653% (0.60   2.02   3.24) =  99.962%  kept
          QD2   LEU   80 - HN    LEU   31   7.51 +/- 0.18   1.653% *  1.3442% (0.90   0.02   0.02) =   0.025%
          QG1   VAL   83 - HN    LEU   31   9.16 +/- 0.60   0.544% *  0.9010% (0.60   0.02   0.02) =   0.006%
          QD2   LEU  115 - HN    PHE   55   8.73 +/- 0.42   0.681% *  0.6427% (0.43   0.02   0.02) =   0.005%
          QD1   LEU   63 - HN    PHE   55  10.91 +/- 0.36   0.173% *  0.4395% (0.29   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LEU   31  13.63 +/- 0.55   0.046% *  1.3805% (0.92   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    LEU   31  14.56 +/- 0.62   0.030% *  0.9010% (0.60   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   31  19.54 +/- 0.75   0.005% *  1.3175% (0.88   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    PHE   55  17.54 +/- 0.55   0.010% *  0.6557% (0.44   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    PHE   55  16.99 +/- 0.43   0.012% *  0.4395% (0.29   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    PHE   55  18.11 +/- 0.90   0.008% *  0.4395% (0.29   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    PHE   55  19.82 +/- 0.34   0.005% *  0.6734% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 995 (1.90, 7.85, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.676, support = 8.04, residual support = 51.1:
          HB3   GLN   30 - HN    LEU   31   2.76 +/- 0.18  93.822% * 97.9612% (0.68   8.04  51.12) =  99.996%  kept
          HB    ILE   56 - HN    PHE   55   4.43 +/- 0.16   5.981% *  0.0614% (0.17   0.02  16.20) =   0.004%
          HB3   PRO   58 - HN    PHE   55   8.13 +/- 0.24   0.156% *  0.1605% (0.44   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    PHE   55  12.43 +/- 1.00   0.014% *  0.1420% (0.39   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   31  13.38 +/- 0.62   0.008% *  0.1766% (0.49   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    LEU   31  12.77 +/- 0.65   0.010% *  0.0518% (0.14   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   31  15.60 +/- 1.69   0.003% *  0.1260% (0.35   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   31  19.66 +/- 2.19   0.001% *  0.2911% (0.81   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   31  24.28 +/- 0.44   0.000% *  0.3290% (0.91   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   55  16.21 +/- 0.49   0.002% *  0.0253% (0.07   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   31  23.77 +/- 2.91   0.000% *  0.1900% (0.53   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   31  22.01 +/- 0.68   0.000% *  0.1260% (0.35   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   55  22.81 +/- 0.54   0.000% *  0.1189% (0.33   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   55  25.26 +/- 1.48   0.000% *  0.0614% (0.17   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   55  30.27 +/- 1.16   0.000% *  0.0861% (0.24   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   55  33.21 +/- 3.30   0.000% *  0.0927% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 996 (2.72, 7.85, 118.81 ppm):
    6 chemical-shift based assignments, quality = 0.504, support = 6.72, residual support = 48.9:
          HG2   GLN   30 - HN    LEU   31   4.39 +/- 0.40  68.086% * 86.4452% (0.49   7.15  51.12) =  93.338%  kept
          HB3   ASN   28 - HN    LEU   31   5.01 +/- 0.15  31.891% * 13.1729% (0.71   0.75  18.30) =   6.662%  kept
          QE    LYS+ 121 - HN    PHE   55  18.42 +/- 1.38   0.014% *  0.0303% (0.06   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    LEU   31  21.18 +/- 1.05   0.006% *  0.0622% (0.13   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    PHE   55  23.90 +/- 0.62   0.003% *  0.1180% (0.24   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    PHE   55  28.06 +/- 0.60   0.001% *  0.1714% (0.35   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 997 (3.85, 7.85, 118.81 ppm):
    18 chemical-shift based assignments, quality = 0.639, support = 6.41, residual support = 51.1:
      O   HA    GLN   30 - HN    LEU   31   3.59 +/- 0.03  83.956% * 96.6736% (0.64   6.41  51.12) =  99.982%  kept
          HB2   CYS   53 - HN    PHE   55   5.01 +/- 0.20  11.712% *  0.0595% (0.13   0.02   0.02) =   0.009%
          HD3   PRO   52 - HN    PHE   55   6.06 +/- 0.37   3.864% *  0.1637% (0.35   0.02   1.18) =   0.008%
          HB3   SER   37 - HN    LEU   31   9.63 +/- 0.30   0.230% *  0.2485% (0.53   0.02   0.02) =   0.001%
          HB    THR   39 - HN    LEU   31  10.61 +/- 0.81   0.139% *  0.3188% (0.68   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    LEU   31  12.75 +/- 0.49   0.043% *  0.4303% (0.91   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   31  16.98 +/- 2.16   0.011% *  0.3355% (0.71   0.02   0.02) =   0.000%
          HB    THR  118 - HN    PHE   55  13.68 +/- 0.25   0.028% *  0.0477% (0.10   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   31  19.31 +/- 1.01   0.004% *  0.2485% (0.53   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    PHE   55  17.35 +/- 0.68   0.007% *  0.1212% (0.26   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   31  25.22 +/- 0.85   0.001% *  0.3355% (0.71   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   31  21.97 +/- 0.52   0.002% *  0.1221% (0.26   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    PHE   55  24.28 +/- 0.63   0.001% *  0.2099% (0.44   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   31  21.61 +/- 0.60   0.002% *  0.0977% (0.21   0.02   0.02) =   0.000%
          QB    SER   13 - HN    PHE   55  25.62 +/- 1.57   0.001% *  0.1637% (0.35   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    PHE   55  25.37 +/- 0.62   0.001% *  0.1471% (0.31   0.02   0.02) =   0.000%
          HB    THR   39 - HN    PHE   55  26.14 +/- 0.72   0.001% *  0.1555% (0.33   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    PHE   55  28.21 +/- 0.46   0.000% *  0.1212% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 6.25, residual support = 156.8:
      O   HA    ARG+  54 - HN    ARG+  54   2.75 +/- 0.03  99.893% * 96.8692% (0.61   6.25 156.80) = 100.000%  kept
          HA    LEU  115 - HN    ASP-  62  10.10 +/- 0.54   0.044% *  0.0895% (0.18   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ARG+  54  13.86 +/- 0.50   0.006% *  0.4782% (0.94   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASP-  62  10.01 +/- 0.37   0.044% *  0.0580% (0.11   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ARG+  54  16.83 +/- 0.35   0.002% *  0.3100% (0.61   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASP-  62  14.50 +/- 0.49   0.005% *  0.0580% (0.11   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ARG+  54  24.85 +/- 0.61   0.000% *  0.4792% (0.95   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASP-  62  16.97 +/- 0.47   0.002% *  0.0472% (0.09   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ASP-  62  19.02 +/- 0.35   0.001% *  0.0848% (0.17   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ARG+  54  19.47 +/- 0.70   0.001% *  0.0839% (0.17   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ARG+  54  26.29 +/- 0.40   0.000% *  0.4533% (0.89   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ARG+  54  27.86 +/- 0.99   0.000% *  0.3837% (0.76   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ASP-  62  22.48 +/- 0.50   0.000% *  0.0897% (0.18   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ARG+  54  26.79 +/- 0.42   0.000% *  0.2521% (0.50   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ARG+  54  24.86 +/- 0.53   0.000% *  0.1479% (0.29   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASP-  62  22.32 +/- 0.74   0.000% *  0.0718% (0.14   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ASP-  62  22.94 +/- 0.47   0.000% *  0.0277% (0.05   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASP-  62  24.91 +/- 0.37   0.000% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1000 (3.68, 6.63, 116.57 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.0, residual support = 80.9:
      O   HB2   TRP   49 - HN    TRP   49   3.50 +/- 0.20  99.911% * 98.0848% (0.98   4.00  80.86) = 100.000%  kept
          HA    ALA   84 - HN    TRP   49  12.03 +/- 0.23   0.064% *  0.4954% (0.99   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    TRP   49  14.38 +/- 0.82   0.022% *  0.4483% (0.90   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    TRP   49  23.11 +/- 0.32   0.001% *  0.4728% (0.95   0.02   0.02) =   0.000%
          HA    THR  118 - HN    TRP   49  23.95 +/- 0.33   0.001% *  0.4987% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1001 (0.37, 11.10, 134.86 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.55, residual support = 14.9:
          QB    ALA   47 - HE1   TRP   49   3.17 +/- 0.34  99.989% * 98.5650% (1.00   2.55  14.95) = 100.000%  kept
          QG1   VAL   42 - HE1   TRP   49  16.64 +/- 0.70   0.005% *  0.7486% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HE1   TRP   49  18.89 +/- 1.92   0.003% *  0.5328% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HE1   TRP   49  18.10 +/- 0.39   0.003% *  0.1535% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1002 (0.37, 6.63, 116.57 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 3.76, residual support = 14.9:
          QB    ALA   47 - HN    TRP   49   2.43 +/- 0.11  99.996% * 99.0243% (1.00   3.76  14.95) = 100.000%  kept
          QG1   VAL   42 - HN    TRP   49  15.57 +/- 0.32   0.002% *  0.5090% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    TRP   49  16.82 +/- 0.70   0.001% *  0.3623% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    TRP   49  16.15 +/- 0.43   0.001% *  0.1044% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 0.699, support = 0.0809, residual support = 0.0199:
          HB2   CYS   53 - HN    ALA   47   4.28 +/- 0.89  84.993% * 12.5604% (0.90   0.02   0.02) =  59.616%  kept
          HD3   PRO   52 - HN    ALA   47   6.10 +/- 0.72  14.452% * 49.6176% (0.41   0.17   0.02) =  40.045%  kept
          HD2   PRO   58 - HN    ALA   47  10.68 +/- 0.52   0.454% * 11.2146% (0.80   0.02   0.02) =   0.284%
          HA    VAL   83 - HN    ALA   47  14.77 +/- 0.28   0.087% * 10.1699% (0.73   0.02   0.02) =   0.050%
          HA    GLN   30 - HN    ALA   47  20.80 +/- 0.55   0.011% *  6.8171% (0.49   0.02   0.02) =   0.004%
          HA    GLU- 100 - HN    ALA   47  26.77 +/- 0.35   0.002% *  9.6204% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.41 A violated in 4 structures by 0.21 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 = 34.9:
      O   HB2   ASP-  44 - HN    ASP-  44   2.45 +/- 0.10  99.598% * 96.4601% (0.87   3.03  34.88) =  99.998%  kept
          HB3   PHE   72 - HN    ASP-  44   6.59 +/- 0.80   0.384% *  0.5612% (0.76   0.02   0.02) =   0.002%
          QG    GLU-  15 - HN    ASP-  44  13.87 +/- 1.30   0.004% *  0.6946% (0.95   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP-  44  14.48 +/- 0.72   0.003% *  0.5044% (0.69   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  44  13.39 +/- 0.62   0.004% *  0.2505% (0.34   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  44  16.13 +/- 1.41   0.001% *  0.6134% (0.84   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ASP-  44  12.79 +/- 0.61   0.005% *  0.1286% (0.18   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ASP-  44  23.51 +/- 1.69   0.000% *  0.6586% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP-  44  19.73 +/- 0.70   0.000% *  0.1286% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1005 (1.70, 8.78, 123.55 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 3.23, residual support = 7.16:
          HB2   LEU   73 - HN    ASP-  44   4.48 +/- 0.15  95.365% * 96.3066% (0.87   3.23   7.16) =  99.977%  kept
          QG1   ILE   56 - HN    ASP-  44   8.59 +/- 0.29   2.009% *  0.4167% (0.61   0.02   0.02) =   0.009%
          QD    LYS+ 106 - HN    ASP-  44   9.57 +/- 0.87   1.164% *  0.6734% (0.98   0.02   0.02) =   0.009%
          HB3   MET   92 - HN    ASP-  44  10.99 +/- 0.77   0.479% *  0.4988% (0.73   0.02   0.02) =   0.003%
          HG3   PRO   93 - HN    ASP-  44  11.19 +/- 0.65   0.442% *  0.2120% (0.31   0.02   0.02) =   0.001%
          QD    LYS+  99 - HN    ASP-  44  13.70 +/- 0.46   0.122% *  0.6809% (0.99   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HN    ASP-  44  14.35 +/- 0.83   0.096% *  0.3344% (0.49   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    ASP-  44  12.30 +/- 0.31   0.231% *  0.1060% (0.15   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ASP-  44  17.14 +/- 0.71   0.034% *  0.4167% (0.61   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ASP-  44  16.53 +/- 0.88   0.041% *  0.1203% (0.18   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ASP-  44  18.73 +/- 0.46   0.018% *  0.2343% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1006 (1.51, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.567, support = 1.25, residual support = 6.0:
          HB2   LYS+  74 - HN    ASP-  44   5.01 +/- 0.22  62.747% * 62.2751% (0.65   1.22   6.00) =  78.478%  kept
          HD3   LYS+  74 - HN    ASP-  44   5.56 +/- 0.50  35.552% * 30.0844% (0.28   1.37   6.00) =  21.480%  kept
          QG2   THR   26 - HN    ASP-  44  10.23 +/- 0.31   0.911% *  1.4126% (0.90   0.02   0.02) =   0.026%
          HG2   LYS+  65 - HN    ASP-  44  13.31 +/- 0.46   0.189% *  1.4900% (0.95   0.02   0.02) =   0.006%
          QD    LYS+  66 - HN    ASP-  44  14.55 +/- 0.96   0.124% *  1.4126% (0.90   0.02   0.02) =   0.004%
          HG    LEU  104 - HN    ASP-  44  13.37 +/- 0.22   0.181% *  0.6476% (0.41   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - HN    ASP-  44  16.35 +/- 0.83   0.057% *  1.5440% (0.98   0.02   0.02) =   0.002%
          HB3   LYS+ 121 - HN    ASP-  44  14.57 +/- 0.33   0.108% *  0.6476% (0.41   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    ASP-  44  14.09 +/- 0.30   0.133% *  0.4862% (0.31   0.02   0.02) =   0.001%
    Distance limit 4.68 A violated in 3 structures by 0.08 A, kept.
 
    Peak 1007 (1.35, 8.78, 123.55 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 3.34, residual support = 34.9:
      O   HB3   ASP-  44 - HN    ASP-  44   3.17 +/- 0.16  99.084% * 95.3299% (0.99   3.34  34.88) =  99.995%  kept
          HB2   LEU   63 - HN    ASP-  44   8.56 +/- 0.39   0.275% *  0.5447% (0.95   0.02   0.02) =   0.002%
          HB3   PRO   93 - HN    ASP-  44   9.22 +/- 0.85   0.214% *  0.4810% (0.84   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    ASP-  44   9.69 +/- 1.38   0.163% *  0.5447% (0.95   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    ASP-  44  10.56 +/- 0.34   0.077% *  0.4995% (0.87   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ASP-  44  11.36 +/- 0.22   0.049% *  0.4995% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP-  44  10.47 +/- 0.94   0.087% *  0.1601% (0.28   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ASP-  44  12.78 +/- 0.39   0.024% *  0.4182% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  44  15.66 +/- 0.31   0.007% *  0.3725% (0.65   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  44  18.16 +/- 0.55   0.003% *  0.5708% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  44  15.64 +/- 0.45   0.007% *  0.2161% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ASP-  44  16.49 +/- 0.43   0.005% *  0.1140% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  44  18.85 +/- 0.92   0.002% *  0.1601% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP-  44  18.59 +/- 0.66   0.003% *  0.0889% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1008 (0.75, 8.78, 123.55 ppm):
    7 chemical-shift based assignments, quality = 0.895, support = 4.16, residual support = 15.3:
          QG1   VAL   43 - HN    ASP-  44   4.21 +/- 0.12  70.340% * 97.7597% (0.90   4.17  15.36) =  99.781%  kept
          QG2   THR   46 - HN    ASP-  44   5.40 +/- 0.46  17.176% *  0.5184% (0.99   0.02   0.02) =   0.129%
          QG2   VAL   18 - HN    ASP-  44   5.95 +/- 0.68  10.682% *  0.5218% (1.00   0.02   0.02) =   0.081%
          QG1   VAL   41 - HN    ASP-  44   8.79 +/- 0.43   0.906% *  0.3798% (0.73   0.02   0.02) =   0.005%
          QD1   ILE   19 - HN    ASP-  44   9.42 +/- 0.29   0.565% *  0.3997% (0.76   0.02   0.02) =   0.003%
          QD2   LEU  104 - HN    ASP-  44  12.99 +/- 0.17   0.083% *  0.3172% (0.61   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    ASP-  44  11.03 +/- 0.62   0.249% *  0.1035% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1009 (0.06, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.7, residual support = 15.4:
          QG2   VAL   43 - HN    ASP-  44   2.65 +/- 0.17  99.706% * 99.0013% (0.65   3.70  15.36) =  99.999%  kept
          QD2   LEU   31 - HN    ASP-  44   7.69 +/- 0.23   0.187% *  0.6317% (0.76   0.02   0.02) =   0.001%
          QG2   VAL   83 - HN    ASP-  44   9.15 +/- 0.32   0.064% *  0.2551% (0.31   0.02   0.02) =   0.000%
          QD1   ILE   89 - HN    ASP-  44   9.83 +/- 0.42   0.043% *  0.1119% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1010 (4.84, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.516, support = 0.0196, residual support = 0.0196:
          HA    PHE   45 - HN    VAL   43   7.93 +/- 0.12  97.518% * 36.5033% (0.53   0.02   0.02) =  97.996%  kept
          HA    ASP-  78 - HN    VAL   43  17.16 +/- 0.15   0.952% * 42.0822% (0.61   0.02   0.02) =   1.102%
          HA    THR   23 - HN    VAL   43  15.89 +/- 0.35   1.530% * 21.4145% (0.31   0.02   0.02) =   0.902%
    Distance limit 4.60 A violated in 20 structures by 3.33 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   4.45 +/- 0.06 100.000% *100.0000% (0.53   1.50  16.41) = 100.000%  kept
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1012 (2.21, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 2.96, residual support = 16.4:
          HB2   MET   96 - HN    VAL   43   2.64 +/- 0.16  99.866% * 97.4132% (0.97   2.96  16.41) =  99.999%  kept
          HB    VAL   70 - HN    VAL   43   9.25 +/- 0.29   0.057% *  0.6123% (0.90   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    VAL   43   9.25 +/- 0.23   0.059% *  0.1898% (0.28   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    VAL   43  13.12 +/- 0.68   0.007% *  0.5702% (0.84   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    VAL   43  13.93 +/- 0.50   0.005% *  0.3323% (0.49   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    VAL   43  14.31 +/- 0.49   0.004% *  0.3865% (0.57   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   43  18.37 +/- 0.43   0.001% *  0.4957% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1013 (1.76, 9.16, 125.94 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.23, residual support = 60.0:
      O   HB    VAL   43 - HN    VAL   43   2.72 +/- 0.10  99.951% * 98.9777% (0.87   4.23  60.03) = 100.000%  kept
          HB2   LYS+  99 - HN    VAL   43  10.25 +/- 0.74   0.039% *  0.4124% (0.76   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    VAL   43  14.44 +/- 0.33   0.005% *  0.0945% (0.18   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    VAL   43  18.83 +/- 0.60   0.001% *  0.4321% (0.80   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   43  14.46 +/- 0.48   0.005% *  0.0833% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.803, support = 5.42, residual support = 39.0:
          HB    VAL   42 - HN    VAL   43   4.40 +/- 0.13  50.810% * 84.1863% (0.84   5.62  40.49) =  95.080%  kept
          HB3   ASP-  44 - HN    VAL   43   5.36 +/- 0.17  15.672% *  9.9491% (0.25   2.22  15.36) =   3.466%  kept
          HG    LEU   98 - HN    VAL   43   5.65 +/- 1.39  20.311% *  3.0890% (0.49   0.35   0.02) =   1.395%
          HG3   LYS+ 106 - HN    VAL   43   7.14 +/- 0.93   3.565% *  0.3580% (1.00   0.02   0.02) =   0.028%
          HB3   LEU   73 - HN    VAL   43   7.20 +/- 0.30   2.762% *  0.3217% (0.90   0.02  10.58) =   0.020%
          QB    LEU   98 - HN    VAL   43   6.43 +/- 0.35   5.467% *  0.0628% (0.18   0.02   0.02) =   0.008%
          HB2   LEU   63 - HN    VAL   43   8.51 +/- 0.30   0.984% *  0.0628% (0.18   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    VAL   43  11.38 +/- 0.67   0.182% *  0.2321% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HN    VAL   43  13.49 +/- 0.53   0.063% *  0.2742% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    VAL   43  14.40 +/- 0.64   0.042% *  0.3312% (0.92   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   43  13.48 +/- 0.22   0.061% *  0.2176% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   43  14.60 +/- 0.43   0.038% *  0.2997% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   43  17.50 +/- 0.37   0.013% *  0.3462% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    VAL   43  15.88 +/- 0.76   0.024% *  0.1346% (0.38   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   43  20.19 +/- 1.53   0.006% *  0.1346% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.60 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 = 5.24, residual support = 60.0:
          QG1   VAL   43 - HN    VAL   43   2.50 +/- 0.28  98.840% * 98.2094% (0.90   5.24  60.03) =  99.996%  kept
          QG1   VAL   41 - HN    VAL   43   6.00 +/- 0.50   0.881% *  0.3035% (0.73   0.02   3.13) =   0.003%
          QG2   VAL   18 - HN    VAL   43   8.28 +/- 0.76   0.133% *  0.4171% (1.00   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    VAL   43   8.95 +/- 0.45   0.059% *  0.4143% (0.99   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   43   9.40 +/- 0.19   0.040% *  0.2535% (0.61   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   43  10.67 +/- 0.22   0.019% *  0.3194% (0.76   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   43  10.34 +/- 0.94   0.027% *  0.0827% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 0.723, support = 2.92, residual support = 3.11:
          QG2   VAL   41 - HN    VAL   43   4.51 +/- 0.30  50.507% * 97.0344% (0.73   2.94   3.13) =  99.535%  kept
          QD2   LEU   98 - HN    VAL   43   5.22 +/- 0.91  28.137% *  0.4788% (0.53   0.02   0.02) =   0.274%
          QD1   LEU   73 - HN    VAL   43   5.90 +/- 0.45  11.181% *  0.4080% (0.45   0.02  10.58) =   0.093%
          QD1   LEU   63 - HN    VAL   43   6.21 +/- 0.37   7.711% *  0.4080% (0.45   0.02   0.02) =   0.064%
          QD2   LEU   63 - HN    VAL   43   7.95 +/- 0.51   1.769% *  0.8921% (0.98   0.02   0.02) =   0.032%
          QD1   LEU   80 - HN    VAL   43  12.49 +/- 0.87   0.115% *  0.4788% (0.53   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    VAL   43  10.72 +/- 0.59   0.275% *  0.1594% (0.18   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    VAL   43  10.48 +/- 0.35   0.305% *  0.1404% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.35 A violated in 5 structures by 0.22 A, kept.
 
    Peak 1017 (0.37, 9.16, 125.94 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.17, residual support = 40.5:
          QG1   VAL   42 - HN    VAL   43   2.73 +/- 0.34  99.833% * 99.2505% (0.97   5.17  40.49) = 100.000%  kept
          QB    ALA   64 - HN    VAL   43   8.23 +/- 0.39   0.153% *  0.0788% (0.20   0.02   0.02) =   0.000%
          QB    ALA   47 - HN    VAL   43  12.98 +/- 0.18   0.011% *  0.3972% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   43  16.23 +/- 1.16   0.003% *  0.2735% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 0.774, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - HN    VAL   43   7.06 +/- 0.36  83.472% * 27.6841% (0.73   0.02   0.02) =  79.316%  kept
          QG2   VAL   83 - HN    VAL   43  10.18 +/- 0.32   9.533% * 38.1246% (1.00   0.02   0.02) =  12.474%  kept
          QD1   ILE   89 - HN    VAL   43  10.80 +/- 0.50   6.996% * 34.1913% (0.90   0.02   0.02) =   8.210%  kept
    Distance limit 4.06 A violated in 20 structures by 2.78 A, eliminated.
    Peak unassigned.
 
    Peak 1019 (1.83, 8.95, 126.35 ppm):
    13 chemical-shift based assignments, quality = 0.925, support = 5.1, residual support = 22.0:
          HB    VAL   41 - HN    VAL   42   4.16 +/- 0.13  65.895% * 87.8851% (0.97   5.24  23.13) =  94.592%  kept
          HB2   LEU   71 - HN    VAL   42   4.70 +/- 0.24  32.455% * 10.1916% (0.22   2.64   2.45) =   5.403%  kept
          HG12  ILE  103 - HN    VAL   42   9.85 +/- 0.72   0.420% *  0.3474% (1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    VAL   42  10.21 +/- 0.36   0.313% *  0.2902% (0.84   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    VAL   42   9.90 +/- 0.36   0.375% *  0.0536% (0.15   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   42  11.64 +/- 0.40   0.140% *  0.1185% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   42  11.70 +/- 0.29   0.136% *  0.0866% (0.25   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   42  15.07 +/- 0.77   0.032% *  0.3116% (0.90   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    VAL   42  11.99 +/- 0.23   0.116% *  0.0688% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL   42  12.62 +/- 0.56   0.091% *  0.0774% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   42  17.05 +/- 0.65   0.014% *  0.1967% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   42  19.70 +/- 0.92   0.006% *  0.3116% (0.90   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL   42  19.39 +/- 0.79   0.007% *  0.0608% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1020 (1.38, 8.95, 126.35 ppm):
    15 chemical-shift based assignments, quality = 0.98, support = 5.55, residual support = 86.8:
      O   HB    VAL   42 - HN    VAL   42   2.47 +/- 0.13  98.732% * 97.0730% (0.98   5.55  86.85) =  99.998%  kept
          HB3   LEU   73 - HN    VAL   42   6.80 +/- 0.20   0.243% *  0.3378% (0.95   0.02   3.07) =   0.001%
          QB    LEU   98 - HN    VAL   42   6.70 +/- 0.34   0.263% *  0.2021% (0.57   0.02   0.26) =   0.001%
          HG    LEU   98 - HN    VAL   42   6.22 +/- 1.13   0.681% *  0.0483% (0.14   0.02   0.26) =   0.000%
          HG3   LYS+  33 - HN    VAL   42  10.44 +/- 0.87   0.021% *  0.3563% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    VAL   42  10.32 +/- 0.80   0.021% *  0.2729% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   42  10.21 +/- 0.37   0.021% *  0.1102% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   42  12.63 +/- 0.57   0.006% *  0.3500% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    VAL   42  14.43 +/- 0.63   0.003% *  0.3296% (0.92   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   42  13.80 +/- 0.95   0.004% *  0.0993% (0.28   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   42  17.25 +/- 1.50   0.001% *  0.2982% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    VAL   42  14.95 +/- 0.73   0.002% *  0.0795% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   42  20.20 +/- 0.43   0.000% *  0.3097% (0.87   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   42  15.65 +/- 0.41   0.002% *  0.0625% (0.18   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   42  16.04 +/- 0.27   0.001% *  0.0707% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1021 (0.91, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.21, residual support = 1.84:
          QD1   LEU   40 - HN    VAL   42   4.29 +/- 0.42  96.709% * 97.8793% (0.98   1.21   1.85) =  99.954%  kept
          QD2   LEU   67 - HN    VAL   42   7.88 +/- 0.55   3.238% *  1.3189% (0.80   0.02   0.02) =   0.045%
          QG1   VAL  108 - HN    VAL   42  15.35 +/- 0.33   0.053% *  0.8018% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1022 (0.75, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.844, support = 4.97, residual support = 35.1:
          QG1   VAL   43 - HN    VAL   42   3.92 +/- 0.39  65.426% * 51.5105% (0.90   4.76  40.49) =  69.028%  kept
          QG1   VAL   41 - HN    VAL   42   4.42 +/- 0.12  31.736% * 47.6315% (0.73   5.44  23.13) =  30.961%  kept
          QG2   VAL   18 - HN    VAL   42   7.68 +/- 0.66   1.395% *  0.2407% (1.00   0.02   0.02) =   0.007%
          QD1   ILE   19 - HN    VAL   42   8.84 +/- 0.28   0.505% *  0.1843% (0.76   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    VAL   42   9.05 +/- 0.20   0.443% *  0.1463% (0.61   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    VAL   42  10.96 +/- 0.46   0.138% *  0.2391% (0.99   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    VAL   42  10.01 +/- 1.11   0.356% *  0.0477% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1023 (0.56, 8.95, 126.35 ppm):
    8 chemical-shift based assignments, quality = 0.726, support = 6.25, residual support = 23.1:
          QG2   VAL   41 - HN    VAL   42   3.12 +/- 0.12  91.304% * 98.5839% (0.73   6.25  23.13) =  99.979%  kept
          QD1   LEU   73 - HN    VAL   42   5.23 +/- 0.29   4.413% *  0.1948% (0.45   0.02   3.07) =   0.010%
          QD2   LEU   98 - HN    VAL   42   5.85 +/- 0.58   2.613% *  0.2286% (0.53   0.02   0.26) =   0.007%
          QD2   LEU   63 - HN    VAL   42   7.54 +/- 0.73   0.568% *  0.4260% (0.98   0.02   0.02) =   0.003%
          QD1   LEU   63 - HN    VAL   42   6.70 +/- 0.47   1.027% *  0.1948% (0.45   0.02   0.02) =   0.002%
          QD1   LEU   80 - HN    VAL   42  13.89 +/- 0.90   0.014% *  0.2286% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   42  11.75 +/- 0.29   0.033% *  0.0671% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   42  12.07 +/- 0.63   0.028% *  0.0761% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1024 (0.36, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.46, residual support = 86.8:
          QG1   VAL   42 - HN    VAL   42   3.73 +/- 0.09  99.975% * 99.2611% (0.87   5.46  86.85) = 100.000%  kept
          QB    ALA   47 - HN    VAL   42  15.72 +/- 0.18   0.018% *  0.3205% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   42  18.67 +/- 1.32   0.007% *  0.4184% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 0.606, support = 5.33, residual support = 86.8:
          QG2   VAL   42 - HN    VAL   42   2.60 +/- 0.34  75.154% * 99.6400% (0.61   5.33  86.85) =  99.972%  kept
          QG2   VAL   70 - HN    VAL   42   3.16 +/- 0.19  24.745% *  0.0835% (0.14   0.02   1.25) =   0.028%
          QG2   VAL   75 - HN    VAL   42   8.12 +/- 0.25   0.101% *  0.2765% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1026 (1.82, 9.02, 128.16 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 4.37, residual support = 70.8:
      O   HB    VAL   41 - HN    VAL   41   3.11 +/- 0.30  96.485% * 97.1015% (0.90   4.37  70.85) =  99.988%  kept
          HB2   LEU   71 - HN    VAL   41   5.90 +/- 0.23   2.412% *  0.3007% (0.61   0.02   2.75) =   0.008%
          HG12  ILE  103 - HN    VAL   41   7.57 +/- 0.54   0.694% *  0.3789% (0.76   0.02   0.02) =   0.003%
          QB    LYS+ 102 - HN    VAL   41   8.15 +/- 0.42   0.350% *  0.3789% (0.76   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    VAL   41  12.08 +/- 0.27   0.032% *  0.4913% (0.99   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   41  14.56 +/- 0.22   0.011% *  0.3207% (0.65   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   41  15.93 +/- 1.00   0.006% *  0.2413% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   41  19.62 +/- 0.54   0.002% *  0.4689% (0.95   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   41  15.76 +/- 0.75   0.007% *  0.0765% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   41  22.64 +/- 1.00   0.001% *  0.2413% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1027 (1.43, 9.02, 128.16 ppm):
    13 chemical-shift based assignments, quality = 0.175, support = 4.02, residual support = 21.1:
          HG    LEU   40 - HN    VAL   41   3.39 +/- 0.74  96.851% * 81.5602% (0.18   4.02  21.09) =  99.939%  kept
          HG    LEU   73 - HN    VAL   41   7.18 +/- 0.53   1.888% *  1.4055% (0.61   0.02   0.62) =   0.034%
          HB3   LEU   67 - HN    VAL   41   8.78 +/- 0.31   0.590% *  2.1921% (0.95   0.02   0.02) =   0.016%
          HG2   LYS+ 102 - HN    VAL   41   9.81 +/- 0.67   0.366% *  1.1280% (0.49   0.02   0.02) =   0.005%
          HG12  ILE   19 - HN    VAL   41  12.45 +/- 0.59   0.073% *  2.0783% (0.90   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    VAL   41  14.31 +/- 0.16   0.032% *  2.3122% (1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    VAL   41  13.99 +/- 0.28   0.038% *  1.8556% (0.80   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    VAL   41  13.24 +/- 1.23   0.075% *  0.7905% (0.34   0.02   0.02) =   0.001%
          HG    LEU   80 - HN    VAL   41  16.77 +/- 0.98   0.015% *  2.2364% (0.97   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    VAL   41  16.80 +/- 0.31   0.012% *  2.1921% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   41  14.12 +/- 0.38   0.033% *  0.7152% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   41  17.63 +/- 0.47   0.010% *  1.1280% (0.49   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    VAL   41  16.01 +/- 0.97   0.019% *  0.4058% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 5 structures by 0.24 A, kept.
 
    Peak 1028 (1.28, 9.02, 128.16 ppm):
    7 chemical-shift based assignments, quality = 0.847, support = 1.42, residual support = 8.66:
          QB    ALA   34 - HN    VAL   41   4.07 +/- 0.33  78.388% * 73.0413% (0.90   1.42   9.40) =  91.953%  kept
          QG2   THR   39 - HN    VAL   41   5.17 +/- 0.29  21.038% * 23.8016% (0.28   1.49   0.12) =   8.042%  kept
          HG3   LYS+  38 - HN    VAL   41   9.96 +/- 0.72   0.458% *  0.6053% (0.53   0.02   0.02) =   0.004%
          QG2   ILE   56 - HN    VAL   41  13.68 +/- 0.55   0.060% *  0.8354% (0.73   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    VAL   41  17.47 +/- 0.32   0.013% *  1.1403% (0.99   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    VAL   41  14.95 +/- 0.27   0.033% *  0.2561% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    VAL   41  18.39 +/- 1.23   0.011% *  0.3199% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1029 (0.98, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 4.68, residual support = 21.1:
          QD2   LEU   40 - HN    VAL   41   2.46 +/- 0.29  99.405% * 97.8301% (0.92   4.68  21.09) =  99.998%  kept
          QD1   LEU   67 - HN    VAL   41   7.22 +/- 0.72   0.220% *  0.4285% (0.95   0.02   0.02) =   0.001%
          QG2   ILE  103 - HN    VAL   41   7.71 +/- 0.22   0.131% *  0.4490% (0.99   0.02   0.02) =   0.001%
          QD2   LEU   71 - HN    VAL   41   7.85 +/- 0.14   0.111% *  0.2930% (0.65   0.02   2.75) =   0.000%
          QD1   ILE  103 - HN    VAL   41   7.96 +/- 0.50   0.118% *  0.2383% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    VAL   41  15.38 +/- 0.63   0.002% *  0.4520% (1.00   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    VAL   41  12.81 +/- 0.52   0.006% *  0.1545% (0.34   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    VAL   41  13.19 +/- 0.65   0.005% *  0.1545% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1030 (0.76, 9.02, 128.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.52, residual support = 70.8:
          QG1   VAL   41 - HN    VAL   41   2.02 +/- 0.15  99.379% * 98.2012% (1.00   4.52  70.85) =  99.998%  kept
          QG1   VAL   43 - HN    VAL   41   5.47 +/- 0.39   0.287% *  0.4109% (0.95   0.02   3.13) =   0.001%
          QD2   LEU   73 - HN    VAL   41   6.40 +/- 0.75   0.161% *  0.1947% (0.45   0.02   0.62) =   0.000%
          QD2   LEU  104 - HN    VAL   41   6.15 +/- 0.32   0.155% *  0.0860% (0.20   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   41  10.22 +/- 1.19   0.009% *  0.2635% (0.61   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    VAL   41  11.20 +/- 0.65   0.004% *  0.3320% (0.76   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   41  11.18 +/- 0.40   0.004% *  0.1341% (0.31   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   41  13.99 +/- 0.44   0.001% *  0.2810% (0.65   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    VAL   41  15.38 +/- 0.44   0.001% *  0.0967% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.686, support = 4.09, residual support = 60.2:
          QG2   VAL   41 - HN    VAL   41   3.69 +/- 0.16  64.407% * 66.3694% (0.73   4.38  70.85) =  79.928%  kept
          QD2   LEU   98 - HN    VAL   41   4.19 +/- 0.46  33.024% * 32.4893% (0.53   2.96  17.95) =  20.062%  kept
          QD1   LEU   73 - HN    VAL   41   6.78 +/- 0.30   1.777% *  0.1873% (0.45   0.02   0.62) =   0.006%
          QD2   LEU   63 - HN    VAL   41   9.16 +/- 0.81   0.340% *  0.4094% (0.98   0.02   0.02) =   0.003%
          QD1   LEU   63 - HN    VAL   41   8.81 +/- 0.50   0.385% *  0.1873% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    VAL   41  15.35 +/- 0.73   0.013% *  0.2198% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   41  13.25 +/- 0.33   0.030% *  0.0644% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   41  13.93 +/- 0.67   0.024% *  0.0731% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.26 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   4.01 +/- 0.19  99.440% * 98.4397% (0.18   2.70   2.70) =  99.991%  kept
          QG2   THR  118 - HN    VAL   41   9.60 +/- 0.42   0.560% *  1.5603% (0.38   0.02   0.02) =   0.009%
    Distance limit 4.89 A violated in 0 structures by 0.00 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1033 (4.04, 8.88, 128.13 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 1.5, residual support = 33.0:
          HA    VAL   70 - HN    LEU   40   3.62 +/- 0.27  97.536% * 90.5299% (0.28   1.50  33.04) =  99.888%  kept
          HB2   SER   37 - HN    LEU   40   7.12 +/- 0.86   2.352% *  4.0076% (0.92   0.02   0.02) =   0.107%
          HA1   GLY   16 - HN    LEU   40  11.91 +/- 1.22   0.108% *  4.2554% (0.98   0.02   0.02) =   0.005%
          HA    GLN  116 - HN    LEU   40  19.22 +/- 0.66   0.005% *  1.2071% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1034 (3.84, 8.88, 128.13 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 4.0, residual support = 24.3:
          HB    THR   39 - HN    LEU   40   3.55 +/- 0.18  96.864% * 95.0707% (0.41   4.00  24.31) =  99.988%  kept
          HB3   SER   37 - HN    LEU   40   6.38 +/- 0.36   3.045% *  0.3217% (0.28   0.02   0.02) =   0.011%
          HA    GLN   30 - HN    LEU   40  11.91 +/- 0.47   0.071% *  1.0943% (0.95   0.02   0.02) =   0.001%
          QB    SER   13 - HN    LEU   40  15.99 +/- 1.86   0.017% *  0.5187% (0.45   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   40  23.61 +/- 0.78   0.001% *  0.8841% (0.76   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   40  24.16 +/- 0.73   0.001% *  0.6550% (0.57   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   40  27.44 +/- 0.71   0.000% *  1.1340% (0.98   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   40  25.58 +/- 0.94   0.001% *  0.3217% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1035 (2.99, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 1.21, residual support = 12.5:
          QE    LYS+  99 - HN    LEU   40   2.43 +/- 0.69  99.621% * 91.0722% (0.57   1.21  12.46) =  99.995%  kept
          QE    LYS+  38 - HN    LEU   40   8.99 +/- 0.95   0.275% *  0.8226% (0.31   0.02   0.02) =   0.002%
          HB2   PHE   97 - HN    LEU   40  10.03 +/- 0.32   0.071% *  2.5722% (0.97   0.02   1.53) =   0.002%
          QE    LYS+ 106 - HN    LEU   40  14.13 +/- 0.53   0.009% *  1.5090% (0.57   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   40  16.49 +/- 0.59   0.004% *  2.6125% (0.98   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    LEU   40  12.64 +/- 0.42   0.015% *  0.4112% (0.15   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    LEU   40  15.32 +/- 0.35   0.005% *  1.0003% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1036 (1.93, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.13, residual support = 108.7:
      O   HB2   LEU   40 - HN    LEU   40   2.32 +/- 0.28  99.990% * 98.9249% (0.97   5.13 108.68) = 100.000%  kept
          HB3   MET   96 - HN    LEU   40  13.39 +/- 0.18   0.003% *  0.3690% (0.92   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU   40  12.75 +/- 0.90   0.005% *  0.0890% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   40  16.61 +/- 1.36   0.001% *  0.2586% (0.65   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   40  22.32 +/- 3.73   0.000% *  0.1792% (0.45   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   40  26.40 +/- 0.34   0.000% *  0.1792% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.652, support = 5.09, residual support = 108.7:
      O   HB3   LEU   40 - HN    LEU   40   2.73 +/- 0.29  90.701% * 35.5408% (0.61   4.96 108.68) =  85.561%  kept
          HG    LEU   40 - HN    LEU   40   4.24 +/- 0.24   8.596% * 63.2740% (0.92   5.81 108.68) =  14.437%  kept
          HG    LEU   67 - HN    LEU   40   8.31 +/- 1.22   0.219% *  0.2314% (0.98   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LEU   40   7.01 +/- 0.63   0.398% *  0.0364% (0.15   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   40   9.67 +/- 0.32   0.053% *  0.1058% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   40  11.61 +/- 0.64   0.019% *  0.1336% (0.57   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   40  14.78 +/- 0.54   0.004% *  0.1972% (0.84   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   40  12.99 +/- 0.32   0.009% *  0.0656% (0.28   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   40  18.21 +/- 0.94   0.001% *  0.2179% (0.92   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   40  19.56 +/- 1.04   0.001% *  0.1972% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.28, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.278, support = 3.82, residual support = 24.3:
          QG2   THR   39 - HN    LEU   40   2.17 +/- 0.50  98.299% * 93.5902% (0.28   3.82  24.31) =  99.973%  kept
          QB    ALA   34 - HN    LEU   40   5.11 +/- 0.27   1.385% *  1.5789% (0.90   0.02   0.02) =   0.024%
          HG3   LYS+  38 - HN    LEU   40   8.53 +/- 0.80   0.314% *  0.9262% (0.53   0.02   0.02) =   0.003%
          QG2   ILE   56 - HN    LEU   40  16.00 +/- 0.56   0.001% *  1.2784% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    LEU   40  19.65 +/- 0.37   0.000% *  1.7449% (0.99   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LEU   40  18.21 +/- 0.28   0.001% *  0.3919% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   40  21.63 +/- 1.03   0.000% *  0.4895% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1039 (0.85, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 1.5, residual support = 33.0:
          QG1   VAL   70 - HN    LEU   40   3.42 +/- 0.30  97.131% * 94.1973% (0.84   1.50  33.04) =  99.956%  kept
          QD1   LEU   71 - HN    LEU   40   6.75 +/- 0.56   2.194% *  1.4739% (0.98   0.02   0.02) =   0.035%
          HB3   LEU  104 - HN    LEU   40   8.74 +/- 0.41   0.369% *  1.3881% (0.92   0.02   0.02) =   0.006%
          QD1   LEU  123 - HN    LEU   40  11.16 +/- 0.97   0.095% *  1.4739% (0.98   0.02   0.02) =   0.002%
          QG1   VAL   18 - HN    LEU   40  11.14 +/- 0.79   0.096% *  1.0919% (0.73   0.02   0.02) =   0.001%
          HB3   LEU   63 - HN    LEU   40  10.74 +/- 0.65   0.115% *  0.3749% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1040 (0.97, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.526, support = 5.18, residual support = 108.6:
          QD2   LEU   40 - HN    LEU   40   4.26 +/- 0.13  87.147% * 96.6534% (0.53   5.18 108.68) =  99.921%  kept
          QD2   LEU   71 - HN    LEU   40   7.00 +/- 0.36   4.651% *  0.6948% (0.98   0.02   0.02) =   0.038%
          QD1   LEU   67 - HN    LEU   40   6.62 +/- 0.69   7.452% *  0.4013% (0.57   0.02   0.02) =   0.035%
          QG2   ILE  103 - HN    LEU   40  10.65 +/- 0.24   0.369% *  0.4869% (0.69   0.02   0.02) =   0.002%
          QD1   ILE  103 - HN    LEU   40  11.38 +/- 0.55   0.261% *  0.6543% (0.92   0.02   0.02) =   0.002%
          QG2   ILE  119 - HN    LEU   40  13.24 +/- 0.72   0.101% *  0.5417% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    LEU   40  17.72 +/- 0.74   0.018% *  0.5676% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1041 (0.20, 8.88, 128.13 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.06, residual support = 33.0:
          QG2   VAL   70 - HN    LEU   40   3.04 +/- 0.31 100.000% *100.0000% (0.57   6.06  33.04) = 100.000%  kept
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1042 (4.11, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.287, support = 1.47, residual support = 3.07:
          HA    ALA   34 - HN    THR   39   3.64 +/- 0.35  97.348% * 17.0278% (0.22   1.42   3.42) =  88.947%  kept
          HA    GLU-  36 - HN    THR   39   6.77 +/- 0.21   2.599% * 79.2281% (0.80   1.84   0.21) =  11.051%  kept
          HA    ASN   28 - HN    THR   39  13.47 +/- 0.44   0.045% *  0.4044% (0.38   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    THR   39  20.54 +/- 0.88   0.004% *  1.0398% (0.97   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    THR   39  21.64 +/- 0.76   0.003% *  0.3675% (0.34   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    THR   39  26.84 +/- 0.89   0.001% *  0.9662% (0.90   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    THR   39  26.61 +/- 0.49   0.001% *  0.9662% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.33 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 = 0.86, support = 2.85, residual support = 6.53:
          HA    SER   37 - HN    THR   39   4.11 +/- 0.85  83.133% * 52.7191% (0.90   2.77   3.48) =  85.375%  kept
          HA    LEU   40 - HN    THR   39   5.58 +/- 0.39  16.569% * 45.3080% (0.65   3.31  24.31) =  14.624%  kept
          HA    VAL   42 - HN    THR   39  11.16 +/- 0.53   0.207% *  0.1446% (0.34   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    THR   39  14.01 +/- 1.42   0.055% *  0.3540% (0.84   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    THR   39  16.13 +/- 0.83   0.020% *  0.3801% (0.90   0.02   0.02) =   0.000%
          HA    SER   13 - HN    THR   39  18.34 +/- 2.37   0.012% *  0.3540% (0.84   0.02   0.02) =   0.000%
          HA    THR   46 - HN    THR   39  23.58 +/- 0.55   0.002% *  0.4009% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    THR   39  23.15 +/- 0.65   0.002% *  0.3394% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 1 structures by 0.02 A, kept.
 
    Peak 1044 (3.84, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.372, support = 3.41, residual support = 28.1:
      O   HB    THR   39 - HN    THR   39   2.64 +/- 0.23  48.040% * 69.7448% (0.41   3.90  38.38) =  70.656%  kept
          HB3   SER   37 - HN    THR   39   2.76 +/- 0.92  51.938% * 26.7917% (0.28   2.22   3.48) =  29.344%  kept
          HA    GLN   30 - HN    THR   39  10.21 +/- 0.35   0.020% *  0.8226% (0.95   0.02   0.02) =   0.000%
          QB    SER   13 - HN    THR   39  15.84 +/- 2.49   0.002% *  0.3899% (0.45   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    THR   39  23.08 +/- 0.79   0.000% *  0.6646% (0.76   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    THR   39  26.96 +/- 0.74   0.000% *  0.4923% (0.57   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    THR   39  30.32 +/- 0.80   0.000% *  0.8524% (0.98   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    THR   39  26.90 +/- 0.99   0.000% *  0.2418% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1045 (1.27, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.661, support = 4.12, residual support = 29.4:
          QG2   THR   39 - HN    THR   39   3.48 +/- 0.48  65.956% * 20.7250% (0.49   3.74  38.38) =  53.824%  kept
          HG3   LYS+  38 - HN    THR   39   4.77 +/- 0.34  12.030% * 56.0239% (0.76   6.45  30.30) =  26.539%  kept
          QB    ALA   34 - HN    THR   39   4.34 +/- 0.33  21.980% * 22.6883% (1.00   2.00   3.42) =  19.637%  kept
          HG13  ILE   19 - HN    THR   39  13.19 +/- 0.97   0.027% *  0.0450% (0.20   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    THR   39  18.75 +/- 0.81   0.003% *  0.2099% (0.92   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    THR   39  19.13 +/- 0.34   0.003% *  0.1972% (0.87   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    THR   39  23.43 +/- 1.09   0.001% *  0.1107% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1046 (3.79, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.07, residual support = 215.1:
      O   HA    LYS+  38 - HN    LYS+  38   2.25 +/- 0.15  99.262% * 99.2574% (0.80   6.07 215.13) =  99.998%  kept
          HA    GLU- 100 - HN    LYS+  38   5.54 +/- 1.07   0.737% *  0.2312% (0.57   0.02   0.02) =   0.002%
          HA    VAL   24 - HN    LYS+  38  17.26 +/- 0.21   0.001% *  0.1135% (0.28   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    LYS+  38  21.92 +/- 0.56   0.000% *  0.2148% (0.53   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    LYS+  38  26.83 +/- 0.50   0.000% *  0.1831% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 215.1:
      O   HB2   LYS+  38 - HN    LYS+  38   3.61 +/- 0.22  99.815% * 99.1614% (1.00   5.63 215.13) = 100.000%  kept
          HG3   GLU-  29 - HN    LYS+  38  14.37 +/- 0.50   0.027% *  0.2557% (0.73   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  38  12.75 +/- 0.47   0.054% *  0.1201% (0.34   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    LYS+  38  11.73 +/- 0.53   0.087% *  0.0697% (0.20   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    LYS+  38  16.50 +/- 1.45   0.012% *  0.0878% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LYS+  38  19.17 +/- 0.41   0.005% *  0.1201% (0.34   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  38  30.52 +/- 0.68   0.000% *  0.1853% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 215.1:
      O   HB3   LYS+  38 - HN    LYS+  38   4.04 +/- 0.11  93.697% * 97.9175% (0.90   5.20 215.13) =  99.993%  kept
          QB    LYS+  33 - HN    LYS+  38   6.46 +/- 0.46   6.018% *  0.0830% (0.20   0.02   0.02) =   0.005%
          HB3   GLN   30 - HN    LYS+  38  10.82 +/- 0.34   0.256% *  0.4159% (0.99   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    LYS+  38  17.04 +/- 0.53   0.017% *  0.1431% (0.34   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  38  25.51 +/- 1.48   0.002% *  0.4159% (0.99   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LYS+  38  23.07 +/- 4.10   0.005% *  0.0934% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  38  26.37 +/- 0.52   0.001% *  0.3763% (0.90   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  38  25.95 +/- 0.60   0.001% *  0.3207% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  38  24.20 +/- 0.41   0.002% *  0.1295% (0.31   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  38  30.18 +/- 0.76   0.001% *  0.1046% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 215.1:
          HG2   LYS+  38 - HN    LYS+  38   2.99 +/- 0.13  99.328% * 98.4035% (0.65   5.86 215.13) =  99.998%  kept
          HG2   LYS+  99 - HN    LYS+  38   7.28 +/- 0.67   0.574% *  0.2733% (0.53   0.02   0.02) =   0.002%
          HB2   LEU   31 - HN    LYS+  38   9.65 +/- 0.34   0.094% *  0.1157% (0.22   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LYS+  38  19.86 +/- 0.44   0.001% *  0.4914% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    LYS+  38  18.51 +/- 0.27   0.002% *  0.0802% (0.15   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LYS+  38  25.30 +/- 0.82   0.000% *  0.4914% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  38  28.24 +/- 0.48   0.000% *  0.1444% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1050 (2.18, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.72, residual support = 30.3:
          HB2   LYS+  38 - HN    THR   39   3.39 +/- 0.35  99.711% * 99.1747% (1.00   5.72  30.30) = 100.000%  kept
          HB    VAL   70 - HN    THR   39   9.39 +/- 0.54   0.236% *  0.0686% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    THR   39  13.86 +/- 0.42   0.024% *  0.1182% (0.34   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    THR   39  15.78 +/- 0.56   0.011% *  0.2516% (0.73   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    THR   39  15.09 +/- 1.28   0.016% *  0.0864% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    THR   39  20.41 +/- 0.48   0.002% *  0.1182% (0.34   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    THR   39  30.56 +/- 0.68   0.000% *  0.1823% (0.53   0.02   0.02) =   0.000%
    Distance limit 5.02 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 = 3.43, residual support = 25.1:
      O   HB3   SER   37 - HN    SER   37   2.53 +/- 0.09  98.624% * 97.1976% (0.99   3.43  25.11) =  99.992%  kept
          HB    THR   39 - HN    SER   37   5.33 +/- 0.43   1.277% *  0.5668% (0.99   0.02   3.48) =   0.008%
          HA    GLN   30 - HN    SER   37   8.13 +/- 0.29   0.095% *  0.1132% (0.20   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   37  15.85 +/- 2.68   0.004% *  0.5606% (0.98   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   37  21.42 +/- 0.52   0.000% *  0.4371% (0.76   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   37  22.76 +/- 0.48   0.000% *  0.4153% (0.73   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   37  26.81 +/- 1.19   0.000% *  0.5668% (0.99   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   37  31.42 +/- 0.73   0.000% *  0.1426% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.15, 7.91, 112.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.71, residual support = 19.4:
          QB    GLU-  36 - HN    SER   37   3.41 +/- 0.19  99.609% * 98.3013% (1.00   3.71  19.44) =  99.999%  kept
          HB3   GLU-  29 - HN    SER   37  11.08 +/- 0.46   0.092% *  0.4594% (0.87   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    SER   37   9.59 +/- 0.97   0.258% *  0.0928% (0.18   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    SER   37  12.83 +/- 0.55   0.040% *  0.2578% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    SER   37  22.08 +/- 0.43   0.001% *  0.5249% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    SER   37  30.55 +/- 0.64   0.000% *  0.3638% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1053 (1.30, 7.91, 112.05 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 4.1, residual support = 8.68:
          HG2   LYS+  38 - HN    SER   37   4.48 +/- 0.03  98.443% * 97.0502% (0.38   4.10   8.68) =  99.994%  kept
          HG2   LYS+  99 - HN    SER   37   9.15 +/- 0.65   1.513% *  0.3510% (0.28   0.02   0.02) =   0.006%
          QG2   THR   77 - HN    SER   37  19.94 +/- 0.43   0.013% *  1.2513% (0.99   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    SER   37  17.55 +/- 0.23   0.028% *  0.4307% (0.34   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    SER   37  25.40 +/- 0.80   0.003% *  0.9168% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1054 (2.93, 7.76, 119.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.05, residual support = 45.7:
          HB2   ASN   35 - HN    GLU-  36   3.26 +/- 0.17  92.815% * 97.9497% (0.65   6.05  45.71) =  99.966%  kept
          QE    LYS+  33 - HN    GLU-  36   5.59 +/- 1.15   7.128% *  0.4340% (0.87   0.02   0.02) =   0.034%
          HB2   ASN   28 - HN    GLU-  36  11.34 +/- 0.22   0.054% *  0.4733% (0.95   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  36  21.57 +/- 1.46   0.001% *  0.4992% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  36  21.88 +/- 0.84   0.001% *  0.4733% (0.95   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  36  26.03 +/- 0.48   0.000% *  0.1707% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1055 (2.47, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.86, residual support = 82.8:
          HG2   GLU-  36 - HN    GLU-  36   3.18 +/- 0.51  99.987% * 99.4356% (0.97   4.86  82.76) = 100.000%  kept
          HG3   MET   96 - HN    GLU-  36  15.02 +/- 0.66   0.012% *  0.3397% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    GLU-  36  24.96 +/- 0.58   0.001% *  0.1592% (0.38   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  36  31.05 +/- 0.61   0.000% *  0.0655% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1056 (2.14, 7.76, 119.36 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 7.31, residual support = 82.8:
      O   QB    GLU-  36 - HN    GLU-  36   2.12 +/- 0.10  99.977% * 99.1708% (0.90   7.31  82.76) = 100.000%  kept
          HB3   GLU-  29 - HN    GLU-  36   9.77 +/- 0.38   0.011% *  0.1834% (0.61   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLU-  36  10.85 +/- 0.78   0.006% *  0.1135% (0.38   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  36  11.09 +/- 0.42   0.005% *  0.0754% (0.25   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  36  21.12 +/- 0.38   0.000% *  0.2860% (0.95   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU-  36  17.04 +/- 0.23   0.000% *  0.0467% (0.15   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  36  29.70 +/- 0.63   0.000% *  0.1243% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (2.29, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.647, support = 4.86, residual support = 82.8:
          HG3   GLU-  36 - HN    GLU-  36   3.86 +/- 0.14  99.851% * 97.3255% (0.65   4.86  82.76) = 100.000%  kept
          QG    GLU-  15 - HN    GLU-  36  13.52 +/- 1.82   0.075% *  0.2777% (0.45   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLU-  36  20.09 +/- 3.56   0.012% *  0.5556% (0.90   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLU-  36  15.11 +/- 0.49   0.029% *  0.1545% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLU-  36  16.82 +/- 1.81   0.019% *  0.1912% (0.31   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  36  18.93 +/- 0.37   0.007% *  0.2113% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU-  36  22.21 +/- 0.57   0.003% *  0.3015% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    GLU-  36  23.83 +/- 0.48   0.002% *  0.3507% (0.57   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    GLU-  36  27.72 +/- 1.22   0.001% *  0.4008% (0.65   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  36  25.92 +/- 0.95   0.001% *  0.1226% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  36  32.24 +/- 0.99   0.000% *  0.1085% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1058 (3.55, 6.53, 110.12 ppm):
    3 chemical-shift based assignments, quality = 0.219, support = 0.02, residual support = 0.02:
          HA2   GLY  101 - HD22  ASN   35   6.06 +/- 1.73  97.831% * 14.8773% (0.20   0.02   0.02) =  94.037%  kept
          HB2   TRP   27 - HD22  ASN   35  13.78 +/- 0.79   2.128% * 42.5614% (0.57   0.02   0.02) =   5.853%  kept
          HD2   PRO   93 - HD22  ASN   35  26.24 +/- 0.89   0.040% * 42.5614% (0.57   0.02   0.02) =   0.110%
    Distance limit 4.86 A violated in 16 structures by 1.37 A, eliminated.
    Peak unassigned.
 
    Peak 1059 (2.94, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 3.59, residual support = 54.2:
      O   HB2   ASN   35 - HD22  ASN   35   3.72 +/- 0.17  99.452% * 97.2795% (0.76   3.59  54.22) =  99.997%  kept
          QE    LYS+  33 - HD22  ASN   35  10.11 +/- 1.37   0.407% *  0.5418% (0.76   0.02   0.50) =   0.002%
          HB2   ASN   28 - HD22  ASN   35  11.46 +/- 0.92   0.132% *  0.6150% (0.87   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HD22  ASN   35  18.90 +/- 1.05   0.006% *  0.7027% (0.99   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   35  24.61 +/- 1.37   0.001% *  0.6842% (0.96   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   35  26.04 +/- 0.86   0.001% *  0.1768% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1060 (3.99, 7.37, 110.13 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 1.77, residual support = 7.9:
          HA    GLN   32 - HD21  ASN   35   3.66 +/- 0.39  98.130% * 91.3562% (0.76   1.77   7.90) =  99.980%  kept
          HA    LYS+  33 - HD21  ASN   35   7.61 +/- 0.14   1.435% *  0.9284% (0.69   0.02   0.50) =   0.015%
          HA    GLU-  29 - HD21  ASN   35   9.27 +/- 0.62   0.385% *  1.1289% (0.83   0.02   0.02) =   0.005%
          HA    VAL   70 - HD21  ASN   35  14.37 +/- 0.79   0.033% *  0.5073% (0.38   0.02   0.02) =   0.000%
          HA    VAL   18 - HD21  ASN   35  17.97 +/- 0.83   0.008% *  1.1724% (0.87   0.02   0.02) =   0.000%
          HB2   SER   82 - HD21  ASN   35  18.13 +/- 0.98   0.007% *  1.2477% (0.92   0.02   0.02) =   0.000%
          HA    ALA   88 - HD21  ASN   35  25.08 +/- 1.12   0.001% *  1.0823% (0.80   0.02   0.02) =   0.000%
          HA    SER   48 - HD21  ASN   35  27.73 +/- 1.03   0.001% *  1.3044% (0.96   0.02   0.02) =   0.000%
          HA    GLN  116 - HD21  ASN   35  28.49 +/- 1.32   0.001% *  0.5073% (0.38   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD21  ASN   35  31.86 +/- 1.67   0.000% *  0.7652% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.63 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 = 3.59, residual support = 54.2:
      O   HB2   ASN   35 - HD21  ASN   35   2.71 +/- 0.37  99.744% * 96.3202% (0.61   3.59  54.22) =  99.998%  kept
          QE    LYS+  33 - HD21  ASN   35   8.85 +/- 1.46   0.217% *  0.7932% (0.90   0.02   0.50) =   0.002%
          HB2   ASN   28 - HD21  ASN   35  10.39 +/- 0.93   0.037% *  0.8536% (0.96   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD21  ASN   35  19.01 +/- 1.12   0.001% *  0.8165% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   35  24.13 +/- 1.38   0.000% *  0.8845% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   35  25.57 +/- 1.06   0.000% *  0.3320% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 4.22, residual support = 43.0:
      O   HA    GLN   32 - HN    GLN   32   2.75 +/- 0.02  86.117% * 39.5572% (0.65   4.23  44.26) =  96.149%  kept
          HA    LYS+  33 - HN    GLN   32   5.21 +/- 0.05   1.891% * 56.5564% (0.80   4.89  13.90) =   3.019%  kept
          HA    GLU-  29 - HN    GLN   32   3.83 +/- 0.10  11.976% *  2.4621% (0.92   0.18   0.02) =   0.832%
          HA    VAL   18 - HN    GLN   32  14.12 +/- 0.36   0.005% *  0.2732% (0.95   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   32  14.79 +/- 0.43   0.004% *  0.2831% (0.98   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   32  13.25 +/- 0.38   0.007% *  0.1406% (0.49   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   32  23.48 +/- 0.56   0.000% *  0.2590% (0.90   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   32  22.69 +/- 0.74   0.000% *  0.1984% (0.69   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   32  27.55 +/- 0.65   0.000% *  0.1406% (0.49   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   32  28.80 +/- 1.24   0.000% *  0.1295% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 5.95, residual support = 155.9:
      O   HA    LYS+  33 - HN    LYS+  33   2.81 +/- 0.02  95.440% * 98.1165% (0.87   5.95 155.97) =  99.987%  kept
          HA    GLU-  29 - HN    LYS+  33   4.84 +/- 0.35   4.141% *  0.2761% (0.73   0.02   0.02) =   0.012%
          HB2   SER   37 - HN    LYS+  33   7.44 +/- 0.85   0.379% *  0.1851% (0.49   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    LYS+  33  11.32 +/- 0.41   0.023% *  0.3802% (1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  33  12.89 +/- 0.36   0.011% *  0.2612% (0.69   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  33  16.97 +/- 0.49   0.002% *  0.2306% (0.61   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LYS+  33  15.90 +/- 1.22   0.003% *  0.0752% (0.20   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  33  26.89 +/- 0.61   0.000% *  0.3802% (1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  33  23.98 +/- 0.59   0.000% *  0.0948% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.69, support = 2.2, residual support = 10.5:
          HA    THR   26 - HN    GLU-  29   3.14 +/- 0.12  62.754% * 39.2448% (0.95   0.97   2.19) =  66.445%  kept
      O   HA    ASN   28 - HN    GLU-  29   3.60 +/- 0.03  27.504% * 38.0505% (0.18   5.10  31.89) =  28.236%  kept
          HA    GLU-  25 - HN    GLU-  29   4.34 +/- 0.21   9.676% * 20.3714% (0.22   2.15   0.12) =   5.318%  kept
          HA    ILE   19 - HN    GLU-  29  11.56 +/- 0.41   0.026% *  0.3503% (0.41   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU-  29  11.12 +/- 0.27   0.033% *  0.2630% (0.31   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU-  29  15.03 +/- 1.62   0.006% *  0.4148% (0.49   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  29  23.29 +/- 0.70   0.000% *  0.5853% (0.69   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLU-  29  29.74 +/- 0.64   0.000% *  0.5513% (0.65   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLU-  29  25.72 +/- 0.51   0.000% *  0.1686% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1065 (2.93, 6.97, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.9, residual support = 100.4:
      O   HB2   ASN   28 - HD22  ASN   28   3.61 +/- 0.05  99.472% * 97.9812% (0.95   3.90 100.40) =  99.998%  kept
          HB2   ASP-  86 - HD22  ASN   28  10.38 +/- 0.93   0.214% *  0.5027% (0.95   0.02   0.02) =   0.001%
          HB2   ASN   35 - HD22  ASN   28  10.44 +/- 0.47   0.178% *  0.3437% (0.65   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD22  ASN   28  11.60 +/- 1.55   0.124% *  0.4609% (0.87   0.02   0.02) =   0.001%
          HB2   ASP-  78 - HD22  ASN   28  16.74 +/- 0.55   0.010% *  0.1813% (0.34   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   28  24.03 +/- 1.32   0.001% *  0.5302% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1066 (2.72, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.49, residual support = 160.1:
      O   HG2   GLN   30 - HE21  GLN   30   3.37 +/- 0.36  99.527% * 99.2627% (0.61   4.49 160.10) =  99.997%  kept
          HB3   ASN   28 - HE21  GLN   30   8.61 +/- 1.30   0.470% *  0.6095% (0.84   0.02   6.56) =   0.003%
          QE    LYS+ 121 - HE21  GLN   30  20.65 +/- 1.09   0.002% *  0.1278% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1067 (2.72, 6.64, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.17, residual support = 160.1:
      O   HG2   GLN   30 - HE22  GLN   30   3.66 +/- 0.63  99.281% * 99.2067% (0.61   4.17 160.10) =  99.995%  kept
          HB3   ASN   28 - HE22  GLN   30   8.75 +/- 0.55   0.714% *  0.6558% (0.84   0.02   6.56) =   0.005%
          QE    LYS+ 121 - HE22  GLN   30  20.93 +/- 1.05   0.004% *  0.1375% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (2.73, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.84, residual support = 100.4:
      O   HB3   ASN   28 - HD22  ASN   28   4.15 +/- 0.02  99.148% * 98.7952% (0.90   3.84 100.40) =  99.995%  kept
          HG2   GLN   30 - HD22  ASN   28   9.32 +/- 0.60   0.846% *  0.5727% (1.00   0.02   6.56) =   0.005%
          QE    LYS+ 121 - HD22  ASN   28  23.75 +/- 1.24   0.003% *  0.4168% (0.73   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD22  ASN   28  24.58 +/- 1.36   0.002% *  0.2154% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 1.6, residual support = 15.2:
          QG2   VAL   24 - HD22  ASN   28   2.43 +/- 0.43  99.999% * 97.8531% (0.97   1.60  15.19) = 100.000%  kept
          QG1   VAL  107 - HD22  ASN   28  18.26 +/- 0.60   0.001% *  0.4765% (0.38   0.02   0.02) =   0.000%
          HG    LEU   63 - HD22  ASN   28  23.00 +/- 0.79   0.000% *  1.1012% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD22  ASN   28  28.53 +/- 0.82   0.000% *  0.5692% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 5.96, residual support = 88.3:
      O   HA    GLU-  29 - HN    GLU-  29   2.73 +/- 0.01  99.657% * 97.8467% (0.84   5.96  88.32) =  99.999%  kept
          HA    LYS+  33 - HN    GLU-  29   8.82 +/- 0.31   0.091% *  0.3718% (0.95   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLU-  29   7.59 +/- 0.13   0.218% *  0.0606% (0.15   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLU-  29  11.59 +/- 0.46   0.018% *  0.2854% (0.73   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLU-  29  14.11 +/- 0.35   0.005% *  0.3147% (0.80   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLU-  29  13.67 +/- 0.81   0.007% *  0.1475% (0.38   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLU-  29  16.12 +/- 0.35   0.002% *  0.3852% (0.98   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLU-  29  20.83 +/- 0.60   0.001% *  0.1341% (0.34   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLU-  29  20.43 +/- 0.46   0.001% *  0.0688% (0.18   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLU-  29  28.89 +/- 0.64   0.000% *  0.3852% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1071 (2.93, 8.29, 121.00 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.69, residual support = 31.9:
          HB2   ASN   28 - HN    GLU-  29   2.81 +/- 0.14  99.354% * 98.6343% (0.97   5.69  31.89) =  99.998%  kept
          QE    LYS+  33 - HN    GLU-  29   7.46 +/- 1.59   0.566% *  0.3222% (0.90   0.02   0.02) =   0.002%
          HB2   ASN   35 - HN    GLU-  29   9.42 +/- 0.29   0.075% *  0.2179% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  29  15.69 +/- 0.79   0.003% *  0.3316% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  29  21.53 +/- 1.60   0.001% *  0.3592% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  29  18.04 +/- 0.55   0.002% *  0.1348% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.689, support = 5.43, residual support = 29.2:
          HB3   ASN   28 - HN    GLU-  29   3.35 +/- 0.19  82.289% * 47.6004% (0.65   5.62  31.89) =  80.970%  kept
          HG2   GLN   30 - HN    GLU-  29   4.55 +/- 0.62  17.710% * 51.9828% (0.87   4.58  17.88) =  19.030%  kept
          QE    LYS+ 121 - HN    GLU-  29  24.66 +/- 1.03   0.001% *  0.2475% (0.95   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLU-  29  23.90 +/- 1.11   0.001% *  0.1693% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 5.57, residual support = 88.3:
          HG2   GLU-  29 - HN    GLU-  29   3.71 +/- 0.18  86.835% * 97.8239% (0.57   5.57  88.32) =  99.973%  kept
          QG    GLN   32 - HN    GLU-  29   5.52 +/- 0.93  13.135% *  0.1725% (0.28   0.02   0.02) =   0.027%
          HB3   PHE   45 - HN    GLU-  29  16.92 +/- 0.37   0.010% *  0.6151% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    GLU-  29  15.40 +/- 0.82   0.018% *  0.2551% (0.41   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLU-  29  22.32 +/- 0.96   0.002% *  0.5183% (0.84   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLU-  29  25.49 +/- 0.66   0.001% *  0.6151% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 1 structures by 0.02 A, kept.
 
    Peak 1075 (4.15, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.664, support = 3.12, residual support = 5.98:
          HA    ASN   28 - HN    GLN   30   4.09 +/- 0.10  47.339% * 48.6300% (0.45   4.00   6.56) =  58.277%  kept
          HA    THR   26 - HN    GLN   30   4.35 +/- 0.17  33.385% * 49.3472% (0.97   1.88   5.17) =  41.704%  kept
          HA1   GLY  101 - HN    LYS+  99   4.84 +/- 0.31  18.075% *  0.0298% (0.05   0.02   1.43) =   0.014%
          HA    ALA   34 - HN    GLN   30   8.86 +/- 0.30   0.470% *  0.3511% (0.65   0.02   1.16) =   0.004%
          HA    ILE   19 - HN    GLN   30   9.49 +/- 0.40   0.318% *  0.0837% (0.15   0.02  13.61) =   0.001%
          HA1   GLY  101 - HN    GLN   30  13.73 +/- 1.58   0.039% *  0.4533% (0.84   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LYS+  99   9.62 +/- 0.72   0.319% *  0.0231% (0.04   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLN   30  21.88 +/- 0.69   0.002% *  0.1851% (0.34   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  99  14.72 +/- 0.79   0.023% *  0.0160% (0.03   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLN   30  23.66 +/- 0.51   0.001% *  0.2642% (0.49   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLN   30  27.78 +/- 0.63   0.000% *  0.5134% (0.95   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  99  16.40 +/- 0.32   0.012% *  0.0174% (0.03   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+  99  18.81 +/- 0.51   0.005% *  0.0337% (0.06   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+  99  19.76 +/- 0.62   0.004% *  0.0344% (0.06   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+  99  18.19 +/- 0.37   0.006% *  0.0055% (0.01   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+  99  22.48 +/- 0.47   0.002% *  0.0122% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 5.64, residual support = 17.9:
      O   HA    GLU-  29 - HN    GLN   30   3.58 +/- 0.03  96.046% * 97.6584% (1.00   5.65  17.88) =  99.991%  kept
          HA    LYS+  33 - HN    GLN   30   7.22 +/- 0.19   1.440% *  0.3399% (0.98   0.02   0.79) =   0.005%
          HA    GLN   32 - HN    GLN   30   6.88 +/- 0.10   1.906% *  0.1301% (0.38   0.02   1.51) =   0.003%
          HA    VAL   18 - HN    GLN   30  11.65 +/- 0.36   0.083% *  0.3437% (0.99   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   30  13.18 +/- 0.47   0.039% *  0.3346% (0.97   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   30  13.42 +/- 0.36   0.035% *  0.2650% (0.76   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN   30  11.57 +/- 0.79   0.093% *  0.0535% (0.15   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  99  10.43 +/- 0.30   0.159% *  0.0174% (0.05   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LYS+  99  13.73 +/- 0.64   0.032% *  0.0223% (0.06   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   30  20.15 +/- 0.61   0.003% *  0.2243% (0.65   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  99  12.44 +/- 0.85   0.061% *  0.0086% (0.02   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   30  21.11 +/- 0.54   0.002% *  0.1426% (0.41   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  99  15.81 +/- 0.37   0.013% *  0.0226% (0.07   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LYS+  99  12.13 +/- 1.05   0.071% *  0.0035% (0.01   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LYS+  99  17.14 +/- 0.83   0.008% *  0.0227% (0.07   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   30  26.61 +/- 0.62   0.001% *  0.2650% (0.76   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  99  19.32 +/- 0.33   0.004% *  0.0174% (0.05   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   30  26.23 +/- 1.22   0.001% *  0.0772% (0.22   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  99  22.53 +/- 0.93   0.002% *  0.0220% (0.06   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  99  26.08 +/- 0.35   0.001% *  0.0147% (0.04   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  99  25.52 +/- 0.63   0.001% *  0.0094% (0.03   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  99  27.30 +/- 1.17   0.001% *  0.0051% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 160.1:
      O   HA    GLN   30 - HN    GLN   30   2.84 +/- 0.01  99.798% * 98.5984% (0.92   6.34 160.10) = 100.000%  kept
          HB3   SER   37 - HN    GLN   30  10.63 +/- 0.38   0.037% *  0.1041% (0.31   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLN   30  12.70 +/- 0.46   0.013% *  0.2699% (0.80   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   30  11.78 +/- 0.88   0.021% *  0.1511% (0.45   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LYS+  99   9.30 +/- 0.38   0.084% *  0.0099% (0.03   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   30  15.89 +/- 2.15   0.005% *  0.1641% (0.49   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LYS+  99  10.95 +/- 0.86   0.033% *  0.0068% (0.02   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LYS+  99  14.69 +/- 0.65   0.005% *  0.0204% (0.06   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLN   30  19.95 +/- 0.86   0.001% *  0.1041% (0.31   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLN   30  21.93 +/- 0.49   0.000% *  0.1774% (0.53   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLN   30  25.37 +/- 0.80   0.000% *  0.3253% (0.97   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LYS+  99  21.80 +/- 1.19   0.001% *  0.0177% (0.05   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LYS+  99  21.98 +/- 1.88   0.001% *  0.0108% (0.03   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LYS+  99  26.63 +/- 0.78   0.000% *  0.0214% (0.06   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LYS+  99  24.31 +/- 0.57   0.000% *  0.0117% (0.03   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LYS+  99  22.44 +/- 0.97   0.000% *  0.0068% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1078 (2.73, 8.31, 118.54 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 7.27, residual support = 160.1:
          HG2   GLN   30 - HN    GLN   30   2.41 +/- 0.56  97.899% * 99.3984% (1.00   7.27 160.10) =  99.995%  kept
          HB3   ASN   28 - HN    GLN   30   5.22 +/- 0.17   2.068% *  0.2458% (0.90   0.02   6.56) =   0.005%
          QE    LYS+ 121 - HN    LYS+  99  11.54 +/- 0.88   0.017% *  0.0131% (0.05   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    LYS+  99  12.23 +/- 1.50   0.012% *  0.0068% (0.02   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    GLN   30  22.75 +/- 0.96   0.000% *  0.1990% (0.73   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLN   30  21.35 +/- 1.05   0.000% *  0.1029% (0.38   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    LYS+  99  16.37 +/- 0.61   0.002% *  0.0180% (0.07   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LYS+  99  16.76 +/- 0.82   0.002% *  0.0161% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1079 (1.87, 8.31, 118.54 ppm):
    26 chemical-shift based assignments, quality = 0.687, support = 6.75, residual support = 160.1:
      O   HB3   GLN   30 - HN    GLN   30   2.55 +/- 0.20  96.996% * 96.3601% (0.69   6.75 160.10) =  99.993%  kept
          QB    LYS+  33 - HN    GLN   30   5.02 +/- 0.56   2.127% *  0.3018% (0.73   0.02   0.79) =   0.007%
          HB    ILE  103 - HN    LYS+  99   6.03 +/- 0.09   0.603% *  0.0144% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  99   8.11 +/- 0.97   0.130% *  0.0237% (0.06   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  99   8.39 +/- 0.20   0.084% *  0.0166% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   30  15.12 +/- 0.69   0.002% *  0.3605% (0.87   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  99   9.69 +/- 0.25   0.035% *  0.0245% (0.06   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   30  15.29 +/- 0.38   0.002% *  0.3605% (0.87   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    GLN   30  17.78 +/- 0.58   0.001% *  0.3727% (0.90   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   30  18.23 +/- 0.76   0.001% *  0.2186% (0.53   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  99  12.35 +/- 0.65   0.009% *  0.0198% (0.05   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   30  19.93 +/- 0.50   0.000% *  0.2521% (0.61   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   30  20.48 +/- 2.29   0.001% *  0.2186% (0.53   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   30  20.01 +/- 0.49   0.000% *  0.2023% (0.49   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   30  22.57 +/- 0.60   0.000% *  0.4011% (0.97   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  99  13.94 +/- 0.68   0.004% *  0.0188% (0.05   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   30  22.97 +/- 0.54   0.000% *  0.3328% (0.80   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   30  23.99 +/- 0.99   0.000% *  0.2353% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   30  24.56 +/- 0.47   0.000% *  0.1418% (0.34   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  99  17.31 +/- 1.31   0.001% *  0.0133% (0.03   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  99  20.74 +/- 0.45   0.000% *  0.0263% (0.06   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  99  20.17 +/- 0.98   0.000% *  0.0144% (0.03   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  99  23.67 +/- 0.61   0.000% *  0.0237% (0.06   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  99  22.41 +/- 0.33   0.000% *  0.0093% (0.02   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  99  26.05 +/- 0.65   0.000% *  0.0219% (0.05   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  99  26.66 +/- 0.71   0.000% *  0.0155% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1080 (0.79, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 5.78, residual support = 49.9:
          HG    LEU   31 - HN    GLN   30   4.26 +/- 0.67  59.073% * 87.8845% (0.80   5.91  51.12) =  97.435%  kept
          QD2   LEU   73 - HN    GLN   30   6.02 +/- 0.95  12.009% * 11.3560% (0.92   0.66   4.91) =   2.560%  kept
          QG1   VAL   41 - HN    LYS+  99   4.75 +/- 0.32  27.374% *  0.0061% (0.02   0.02   0.02) =   0.003%
          QG1   VAL   41 - HN    GLN   30   8.17 +/- 0.30   1.004% *  0.0926% (0.25   0.02   0.02) =   0.002%
          QD2   LEU   73 - HN    LYS+  99  10.19 +/- 0.93   0.277% *  0.0225% (0.06   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  99  11.43 +/- 0.73   0.148% *  0.0138% (0.04   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LYS+  99  12.84 +/- 1.34   0.096% *  0.0195% (0.05   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    GLN   30  20.04 +/- 0.39   0.005% *  0.3704% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    GLN   30  23.80 +/- 0.54   0.002% *  0.2102% (0.57   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    LYS+  99  16.92 +/- 0.43   0.013% *  0.0243% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 1 structures by 0.03 A, kept.
 
    Peak 1081 (1.49, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 5.17:
          QG2   THR   26 - HN    GLN   30   4.10 +/- 0.10  86.691% * 94.2903% (0.73   2.00   5.17) =  99.987%  kept
          HB3   LEU   40 - HN    LYS+  99   6.13 +/- 1.18  12.893% *  0.0619% (0.05   0.02  12.46) =   0.010%
          HB2   LYS+  74 - HN    GLN   30  12.11 +/- 0.32   0.136% *  1.2283% (0.95   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    GLN   30  15.14 +/- 0.59   0.037% *  0.9429% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    GLN   30  19.92 +/- 0.97   0.007% *  0.8400% (0.65   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+  99  12.74 +/- 1.13   0.119% *  0.0483% (0.04   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LYS+  99  14.89 +/- 0.39   0.039% *  0.0415% (0.03   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    GLN   30  23.53 +/- 0.43   0.002% *  0.6320% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    GLN   30  20.96 +/- 0.60   0.005% *  0.2891% (0.22   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  99  16.24 +/- 0.47   0.023% *  0.0619% (0.05   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    GLN   30  24.91 +/- 1.12   0.002% *  0.7352% (0.57   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    GLN   30  25.01 +/- 1.25   0.002% *  0.6320% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  99  17.56 +/- 0.34   0.014% *  0.0807% (0.06   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  99  19.29 +/- 0.88   0.008% *  0.0415% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+  99  17.05 +/- 0.51   0.017% *  0.0190% (0.01   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+  99  20.62 +/- 0.55   0.005% *  0.0552% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1082 (2.06, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.323, support = 6.38, residual support = 160.1:
      O   HB2   GLN   30 - HN    GLN   30   3.56 +/- 0.04  39.940% * 69.2201% (0.41   6.50 160.10) =  62.739%  kept
          HG3   GLN   30 - HN    GLN   30   3.24 +/- 0.61  58.730% * 27.9564% (0.18   6.16 160.10) =  37.260%  kept
          HB3   GLU- 100 - HN    LYS+  99   6.32 +/- 0.11   1.288% *  0.0116% (0.02   0.02  40.14) =   0.000%
          HB2   GLU-  14 - HN    GLN   30  14.89 +/- 1.74   0.011% *  0.2725% (0.53   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLN   30  20.57 +/- 0.80   0.001% *  0.4998% (0.97   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLN   30  17.34 +/- 0.65   0.003% *  0.1767% (0.34   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLN   30  22.75 +/- 2.81   0.001% *  0.2932% (0.57   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+  99  13.80 +/- 0.63   0.012% *  0.0140% (0.03   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLN   30  25.23 +/- 0.64   0.000% *  0.3351% (0.65   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLN   30  25.99 +/- 0.77   0.000% *  0.3761% (0.73   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLN   30  24.79 +/- 0.44   0.000% *  0.2322% (0.45   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLN   30  25.04 +/- 1.00   0.000% *  0.2322% (0.45   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLN   30  25.51 +/- 0.61   0.000% *  0.2129% (0.41   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+  99  17.77 +/- 0.50   0.003% *  0.0220% (0.04   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LYS+  99  17.64 +/- 0.41   0.003% *  0.0140% (0.03   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LYS+  99  20.40 +/- 0.39   0.001% *  0.0328% (0.06   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+  99  16.11 +/- 0.60   0.005% *  0.0060% (0.01   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  99  23.40 +/- 1.63   0.001% *  0.0179% (0.03   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  99  22.60 +/- 0.60   0.001% *  0.0153% (0.03   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  99  25.07 +/- 0.99   0.000% *  0.0153% (0.03   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+  99  27.10 +/- 0.44   0.000% *  0.0247% (0.05   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    LYS+  99  29.03 +/- 3.76   0.000% *  0.0193% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1083 (2.16, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.914, support = 4.83, residual support = 17.9:
          HB3   GLU-  29 - HN    GLN   30   3.55 +/- 0.20  83.512% * 42.4270% (0.90   4.62  17.88) =  79.840%  kept
          HG3   GLU-  29 - HN    GLN   30   4.74 +/- 0.10  15.708% * 56.9518% (0.98   5.67  17.88) =  20.159%  kept
          QB    GLU-  36 - HN    GLN   30   8.90 +/- 0.19   0.357% *  0.1242% (0.61   0.02   0.02) =   0.001%
          HB3   GLU-  79 - HN    GLN   30  12.80 +/- 0.36   0.039% *  0.1078% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   30  14.82 +/- 0.98   0.022% *  0.1242% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LYS+  99   9.24 +/- 0.52   0.302% *  0.0082% (0.04   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LYS+  99  12.58 +/- 0.56   0.048% *  0.0082% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLN   30  22.92 +/- 0.48   0.001% *  0.2030% (0.99   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  99  18.35 +/- 0.72   0.005% *  0.0121% (0.06   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  99  19.45 +/- 0.77   0.003% *  0.0132% (0.06   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    LYS+  99  22.34 +/- 0.57   0.001% *  0.0071% (0.03   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  99  26.70 +/- 0.69   0.000% *  0.0133% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1084 (2.24, 8.29, 121.00 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.76, residual support = 88.3:
      O   HB2   GLU-  29 - HN    GLU-  29   2.28 +/- 0.08  99.997% * 98.0494% (0.76   5.76  88.32) = 100.000%  kept
          HB3   ASP-  76 - HN    GLU-  29  15.30 +/- 0.46   0.001% *  0.3864% (0.87   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLU-  29  14.77 +/- 0.50   0.001% *  0.1520% (0.34   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLU-  29  18.91 +/- 0.60   0.000% *  0.3567% (0.80   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  29  22.48 +/- 2.40   0.000% *  0.3864% (0.87   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  29  23.06 +/- 0.52   0.000% *  0.4415% (0.99   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  29  19.80 +/- 0.84   0.000% *  0.0603% (0.14   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  29  26.52 +/- 0.97   0.000% *  0.1672% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.93, support = 6.4, residual support = 88.3:
          HG3   GLU-  29 - HN    GLU-  29   2.62 +/- 0.44  82.734% * 61.9970% (0.97   6.47  88.32) =  89.130%  kept
      O   HB3   GLU-  29 - HN    GLU-  29   3.45 +/- 0.24  16.674% * 37.5151% (0.65   5.84  88.32) =  10.870%  kept
          HB2   GLU-  25 - HN    GLU-  29   5.95 +/- 0.39   0.560% *  0.0269% (0.14   0.02   0.12) =   0.000%
          QB    GLU-  36 - HN    GLU-  29   9.83 +/- 0.22   0.025% *  0.0677% (0.34   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  29  12.63 +/- 0.47   0.006% *  0.0552% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  29  16.72 +/- 0.87   0.001% *  0.1722% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  29  22.90 +/- 0.46   0.000% *  0.1658% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.875, support = 3.8, residual support = 160.1:
          HB2   GLN   30 - HE21  GLN   30   3.03 +/- 0.74  63.844% * 45.9256% (0.80   3.92 160.10) =  60.860%  kept
      O   HG3   GLN   30 - HE21  GLN   30   3.30 +/- 0.56  35.972% * 52.4195% (0.99   3.62 160.10) =  39.140%  kept
          HB3   GLU-  25 - HE21  GLN   30  10.39 +/- 1.29   0.086% *  0.0903% (0.31   0.02   0.02) =   0.000%
          QB    GLU-  15 - HE21  GLN   30  11.61 +/- 1.53   0.044% *  0.1423% (0.49   0.02   0.02) =   0.000%
          HB2   GLN   17 - HE21  GLN   30  11.49 +/- 1.37   0.044% *  0.1423% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   68 - HE21  GLN   30  16.41 +/- 1.98   0.004% *  0.2537% (0.87   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HE21  GLN   30  17.77 +/- 0.84   0.002% *  0.2537% (0.87   0.02   0.02) =   0.000%
          HB2   PRO   93 - HE21  GLN   30  17.33 +/- 1.19   0.002% *  0.0651% (0.22   0.02   0.02) =   0.000%
          HB    ILE  119 - HE21  GLN   30  22.24 +/- 1.15   0.000% *  0.2342% (0.80   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HE21  GLN   30  22.32 +/- 1.20   0.001% *  0.1423% (0.49   0.02   0.02) =   0.000%
          HB    VAL  108 - HE21  GLN   30  22.59 +/- 0.90   0.000% *  0.1656% (0.57   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HE21  GLN   30  24.08 +/- 1.09   0.000% *  0.1656% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 0.242, support = 1.72, residual support = 13.6:
          QG2   ILE   19 - HE21  GLN   30   2.64 +/- 0.58  89.957% * 21.4164% (0.18   1.50  13.61) =  71.823%  kept
          QD1   ILE   19 - HE21  GLN   30   3.96 +/- 0.58   9.951% * 75.9467% (0.41   2.27  13.61) =  28.173%  kept
          QD1   LEU   98 - HE21  GLN   30  10.36 +/- 1.00   0.056% *  1.4623% (0.90   0.02   0.02) =   0.003%
          QG2   THR   46 - HE21  GLN   30  10.70 +/- 0.61   0.031% *  0.2516% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  104 - HE21  GLN   30  14.89 +/- 0.79   0.005% *  0.9231% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1088 (0.72, 6.64, 111.61 ppm):
    5 chemical-shift based assignments, quality = 0.205, support = 2.13, residual support = 13.6:
          QG2   ILE   19 - HE22  GLN   30   2.54 +/- 0.29  93.929% * 29.6950% (0.18   2.13  13.61) =  87.248%  kept
          QD1   ILE   19 - HE22  GLN   30   4.12 +/- 0.14   6.018% * 67.7359% (0.41   2.07  13.61) =  12.751%  kept
          QD1   LEU   98 - HE22  GLN   30  10.60 +/- 0.82   0.022% *  1.4246% (0.90   0.02   0.02) =   0.001%
          QG2   THR   46 - HE22  GLN   30   9.98 +/- 0.81   0.028% *  0.2451% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  104 - HE22  GLN   30  15.39 +/- 0.68   0.002% *  0.8994% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1089 (3.61, 8.06, 119.69 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.78, residual support = 44.7:
      O   HA    LEU   31 - HN    GLN   32   3.62 +/- 0.01  99.994% * 99.9372% (0.97   5.78  44.70) = 100.000%  kept
          HA    THR   77 - HN    GLN   32  18.23 +/- 0.41   0.006% *  0.0628% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 4.51, residual support = 44.3:
          QG    GLN   32 - HN    GLN   32   2.72 +/- 0.77  99.975% * 98.9293% (0.99   4.51  44.26) = 100.000%  kept
          QG    GLU-  79 - HN    GLN   32  15.12 +/- 0.50   0.009% *  0.3542% (0.80   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN   32  14.58 +/- 0.75   0.011% *  0.0985% (0.22   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    GLN   32  17.87 +/- 0.51   0.003% *  0.1230% (0.28   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLN   32  21.19 +/- 0.89   0.001% *  0.3038% (0.69   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLN   32  25.25 +/- 0.60   0.000% *  0.1230% (0.28   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLN   32  29.73 +/- 0.62   0.000% *  0.0682% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1091 (2.12, 8.06, 119.69 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 4.42, residual support = 44.3:
      O   QB    GLN   32 - HN    GLN   32   2.31 +/- 0.17  99.990% * 98.6245% (0.90   4.42  44.26) = 100.000%  kept
          HB    VAL   24 - HN    GLN   32  11.52 +/- 0.23   0.007% *  0.4702% (0.95   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   32  14.39 +/- 0.77   0.002% *  0.4872% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLN   32  19.40 +/- 0.54   0.000% *  0.3414% (0.69   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   32  16.10 +/- 0.39   0.001% *  0.0767% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 0.674, support = 3.14, residual support = 6.47:
          HB3   GLN   30 - HN    GLN   32   5.25 +/- 0.17  32.991% * 73.1211% (0.99   2.49   1.51) =  59.986%  kept
          QB    LYS+  33 - HN    GLN   32   4.64 +/- 0.30  66.739% * 24.1097% (0.20   4.11  13.90) =  40.011%  kept
          HB3   LYS+  38 - HN    GLN   32  12.23 +/- 0.40   0.203% *  0.5317% (0.90   0.02   0.02) =   0.003%
          QB    LYS+ 106 - HN    GLN   32  17.50 +/- 0.68   0.023% *  0.2022% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   32  17.45 +/- 0.34   0.024% *  0.1830% (0.31   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   32  22.05 +/- 2.18   0.007% *  0.5876% (0.99   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   32  24.57 +/- 0.66   0.003% *  0.4531% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   32  26.66 +/- 0.42   0.002% *  0.5317% (0.90   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    GLN   32  24.09 +/- 3.26   0.005% *  0.1320% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   32  25.06 +/- 0.77   0.003% *  0.1478% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1093 (1.34, 8.06, 119.69 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.91, residual support = 44.7:
          HB2   LEU   31 - HN    GLN   32   2.59 +/- 0.15  99.948% * 97.3646% (0.98   5.91  44.70) = 100.000%  kept
          HG2   LYS+  38 - HN    GLN   32  10.66 +/- 0.29   0.022% *  0.2039% (0.61   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    GLN   32  11.40 +/- 1.14   0.016% *  0.2174% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLN   32  13.93 +/- 0.40   0.004% *  0.3354% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    GLN   32  13.91 +/- 0.70   0.005% *  0.2441% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLN   32  17.03 +/- 0.42   0.001% *  0.3015% (0.90   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    GLN   32  15.86 +/- 0.36   0.002% *  0.1768% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLN   32  19.34 +/- 0.65   0.001% *  0.3244% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    GLN   32  23.98 +/- 1.23   0.000% *  0.2569% (0.76   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLN   32  20.50 +/- 0.73   0.000% *  0.0935% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    GLN   32  22.97 +/- 0.87   0.000% *  0.1636% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLN   32  28.02 +/- 0.62   0.000% *  0.3180% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1094 (1.12, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.91, residual support = 44.7:
          HB3   LEU   31 - HN    GLN   32   3.70 +/- 0.18  99.462% * 98.9102% (0.98   5.91  44.70) =  99.999%  kept
          QG1   VAL   24 - HN    GLN   32   9.18 +/- 0.54   0.466% *  0.1933% (0.57   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    GLN   32  12.79 +/- 0.26   0.061% *  0.1796% (0.53   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    GLN   32  18.05 +/- 0.57   0.008% *  0.0851% (0.25   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    GLN   32  23.99 +/- 0.71   0.001% *  0.3295% (0.97   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    GLN   32  30.12 +/- 1.14   0.000% *  0.2346% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    GLN   32  24.57 +/- 0.56   0.001% *  0.0676% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 4.56, residual support = 13.9:
          QG    GLN   32 - HN    LYS+  33   3.83 +/- 0.46  99.962% * 98.7024% (0.84   4.56  13.90) = 100.000%  kept
          QG    GLU-  79 - HN    LYS+  33  16.02 +/- 0.41   0.023% *  0.2729% (0.53   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    LYS+  33  18.81 +/- 0.47   0.008% *  0.2729% (0.53   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    LYS+  33  21.28 +/- 0.83   0.004% *  0.4788% (0.92   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    LYS+  33  24.86 +/- 0.55   0.002% *  0.2729% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1097 (2.11, 7.95, 120.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.21, residual support = 13.9:
          QB    GLN   32 - HN    LYS+  33   2.94 +/- 0.11  99.968% * 98.4735% (1.00   4.21  13.90) = 100.000%  kept
          HB    VAL   24 - HN    LYS+  33  13.57 +/- 0.30   0.011% *  0.4634% (0.99   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    LYS+  33  13.56 +/- 0.71   0.011% *  0.3744% (0.80   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    LYS+  33  17.14 +/- 0.65   0.003% *  0.4316% (0.92   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  33  15.38 +/- 1.99   0.008% *  0.0721% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  33  26.33 +/- 0.39   0.000% *  0.0925% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  33  27.84 +/- 1.04   0.000% *  0.0925% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 5.82, residual support = 156.0:
      O   QB    LYS+  33 - HN    LYS+  33   2.32 +/- 0.28  98.930% * 96.9785% (0.97   5.82 155.97) =  99.999%  kept
          HB3   GLN   30 - HN    LYS+  33   5.16 +/- 0.15   1.056% *  0.1296% (0.38   0.02   0.79) =   0.001%
          HB3   LYS+  38 - HN    LYS+  33  11.00 +/- 0.39   0.011% *  0.1955% (0.57   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  33  17.08 +/- 0.81   0.001% *  0.2884% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  33  17.94 +/- 0.57   0.001% *  0.3445% (1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  33  18.38 +/- 0.56   0.001% *  0.2765% (0.80   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  33  19.11 +/- 0.39   0.000% *  0.3453% (1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  33  19.05 +/- 0.48   0.000% *  0.3097% (0.90   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  33  24.60 +/- 0.59   0.000% *  0.2507% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  33  26.48 +/- 0.68   0.000% *  0.3423% (0.99   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  33  26.89 +/- 0.95   0.000% *  0.2995% (0.87   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  33  23.11 +/- 2.00   0.000% *  0.0861% (0.25   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  33  24.87 +/- 1.06   0.000% *  0.0533% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  33  25.87 +/- 0.43   0.000% *  0.0467% (0.14   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  33  28.06 +/- 1.03   0.000% *  0.0533% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 4.34, residual support = 156.0:
          HG2   LYS+  33 - HN    LYS+  33   3.58 +/- 0.26  99.988% * 98.5848% (0.61   4.34 155.97) = 100.000%  kept
          HG2   LYS+ 106 - HN    LYS+  33  18.34 +/- 1.01   0.007% *  0.7233% (0.97   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    LYS+  33  18.69 +/- 0.51   0.005% *  0.6919% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1100 (1.36, 7.95, 120.58 ppm):
    16 chemical-shift based assignments, quality = 0.372, support = 4.86, residual support = 151.5:
          HG3   LYS+  33 - HN    LYS+  33   2.90 +/- 1.17  84.697% * 79.3416% (0.38   4.97 155.97) =  97.134%  kept
          HB2   LEU   31 - HN    LYS+  33   4.83 +/- 0.12  14.860% * 13.3278% (0.25   1.26   0.02) =   2.863%  kept
          HB3   LEU   73 - HN    LYS+  33   9.45 +/- 0.33   0.227% *  0.4480% (0.53   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LYS+  33  11.50 +/- 1.23   0.130% *  0.7386% (0.87   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  33  12.94 +/- 0.37   0.033% *  0.3817% (0.45   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  33  17.28 +/- 0.35   0.007% *  0.8055% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  33  16.62 +/- 1.39   0.010% *  0.4821% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  33  15.39 +/- 0.42   0.013% *  0.3196% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  33  17.96 +/- 1.00   0.006% *  0.6507% (0.76   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LYS+  33  16.89 +/- 0.39   0.007% *  0.5164% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  33  18.35 +/- 0.63   0.004% *  0.4145% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  33  20.06 +/- 0.73   0.003% *  0.3817% (0.45   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+  33  23.33 +/- 0.92   0.001% *  0.8217% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  33  23.03 +/- 1.10   0.001% *  0.6507% (0.76   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  33  30.17 +/- 0.58   0.000% *  0.5508% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  33  28.41 +/- 0.48   0.000% *  0.1685% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 0.644, support = 0.0199, residual support = 0.0199:
          QD2   LEU   31 - HN    LYS+  33   4.97 +/- 0.16  99.681% * 25.0349% (0.65   0.02   0.02) =  99.517%  kept
          QG2   VAL   83 - HN    LYS+  33  13.63 +/- 0.67   0.246% * 38.3570% (0.99   0.02   0.02) =   0.376%
          QD1   ILE   89 - HN    LYS+  33  16.70 +/- 0.96   0.074% * 36.6081% (0.95   0.02   0.02) =   0.108%
    Distance limit 4.64 A violated in 7 structures by 0.33 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1114 (4.00, 8.36, 120.50 ppm):
    11 chemical-shift based assignments, quality = 0.561, support = 2.01, residual support = 5.62:
          HA    GLN   32 - HN    ASN   35   3.21 +/- 0.08  80.251% * 31.5443% (0.38   2.16   7.90) =  69.203%  kept
          HA    LYS+  33 - HN    ASN   35   4.15 +/- 0.09  17.637% * 63.8464% (0.98   1.67   0.50) =  30.783%  kept
          HA    GLU-  29 - HN    ASN   35   8.04 +/- 0.24   0.333% *  0.7772% (1.00   0.02   0.02) =   0.007%
          HB2   SER   37 - HN    ASN   35   6.30 +/- 0.55   1.684% *  0.1202% (0.15   0.02   0.02) =   0.006%
          HA    VAL   70 - HN    ASN   35  10.24 +/- 0.41   0.079% *  0.5953% (0.76   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    ASN   35  13.92 +/- 0.39   0.012% *  0.7720% (0.99   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ASN   35  18.55 +/- 0.44   0.002% *  0.7517% (0.97   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ASN   35  25.73 +/- 0.62   0.000% *  0.5953% (0.76   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASN   35  25.45 +/- 0.52   0.000% *  0.5039% (0.65   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ASN   35  25.32 +/- 0.82   0.000% *  0.3202% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASN   35  29.79 +/- 1.18   0.000% *  0.1734% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 0.952, support = 0.0197, residual support = 45.1:
          HA    GLU-  36 - HN    ASN   35   5.06 +/- 0.05  93.741% * 25.2403% (0.97   0.02  45.71) =  98.631%  kept
          HA    ASN   28 - HN    ASN   35   7.99 +/- 0.25   6.223% *  5.1758% (0.20   0.02   0.02) =   1.343%
          HA    LYS+  81 - HN    ASN   35  22.15 +/- 0.31   0.013% * 26.0958% (1.00   0.02   0.02) =   0.015%
          HA    ALA  124 - HN    ASN   35  24.94 +/- 0.80   0.007% * 20.9424% (0.80   0.02   0.02) =   0.006%
          HA    ARG+  54 - HN    ASN   35  26.53 +/- 0.68   0.005% * 17.9653% (0.69   0.02   0.02) =   0.003%
          HA    LEU  115 - HN    ASN   35  22.95 +/- 0.55   0.011% *  4.5804% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.11 A violated in 20 structures by 0.95 A, eliminated.
    Peak unassigned.
 
    Peak 1116 (2.92, 8.36, 120.50 ppm):
    8 chemical-shift based assignments, quality = 0.309, support = 5.55, residual support = 54.2:
      O   HB2   ASN   35 - HN    ASN   35   2.13 +/- 0.05  99.661% * 94.9183% (0.31   5.55  54.22) =  99.996%  kept
          QE    LYS+  33 - HN    ASN   35   5.89 +/- 0.85   0.329% *  1.1050% (1.00   0.02   0.50) =   0.004%
          HB2   ASN   28 - HN    ASN   35  10.31 +/- 0.23   0.008% *  1.0688% (0.97   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASN   35  13.80 +/- 0.86   0.001% *  0.1940% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   35  20.34 +/- 1.37   0.000% *  0.9606% (0.87   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   35  19.89 +/- 0.82   0.000% *  0.7164% (0.65   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ASN   35  19.51 +/- 0.48   0.000% *  0.2761% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   35  23.92 +/- 0.45   0.000% *  0.7607% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1117 (1.28, 8.36, 120.50 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 3.25, residual support = 17.9:
          QB    ALA   34 - HN    ASN   35   2.88 +/- 0.05  98.781% * 97.9590% (0.92   3.25  17.92) =  99.996%  kept
          HG3   LYS+  38 - HN    ASN   35   6.92 +/- 0.32   0.542% *  0.3697% (0.57   0.02   0.02) =   0.002%
          QG2   THR   39 - HN    ASN   35   7.14 +/- 0.74   0.668% *  0.2015% (0.31   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    ASN   35  15.33 +/- 0.14   0.004% *  0.6400% (0.98   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ASN   35  18.49 +/- 0.61   0.001% *  0.4990% (0.76   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ASN   35  17.44 +/- 0.47   0.002% *  0.1292% (0.20   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ASN   35  21.45 +/- 1.21   0.001% *  0.2015% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 3.3, residual support = 100.4:
      O   HB2   ASN   28 - HD21  ASN   28   2.49 +/- 0.12  99.939% * 97.6684% (0.97   3.30 100.40) = 100.000%  kept
          QE    LYS+  33 - HD21  ASN   28  10.63 +/- 1.54   0.025% *  0.5500% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD21  ASN   28  10.36 +/- 0.49   0.022% *  0.3720% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD21  ASN   28  11.40 +/- 0.86   0.013% *  0.5661% (0.92   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   28  16.20 +/- 0.49   0.001% *  0.2302% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   28  23.02 +/- 1.40   0.000% *  0.6133% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1119 (2.73, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.24, residual support = 100.4:
      O   HB3   ASN   28 - HD21  ASN   28   3.55 +/- 0.03  98.952% * 98.5766% (0.90   3.24 100.40) =  99.993%  kept
          HG2   GLN   30 - HD21  ASN   28   7.79 +/- 0.65   1.046% *  0.6766% (1.00   0.02   6.56) =   0.007%
          QE    LYS+ 121 - HD21  ASN   28  23.88 +/- 1.08   0.001% *  0.4924% (0.73   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD21  ASN   28  24.22 +/- 1.15   0.001% *  0.2545% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1120 (1.06, 7.61, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 1.86, residual support = 15.2:
          QG2   VAL   24 - HD21  ASN   28   2.38 +/- 0.30  99.999% * 96.9033% (0.76   1.86  15.19) = 100.000%  kept
          HG    LEU   63 - HD21  ASN   28  22.44 +/- 0.78   0.000% *  1.2258% (0.90   0.02   0.02) =   0.000%
          QG2   VAL  108 - HD21  ASN   28  19.28 +/- 1.16   0.000% *  0.3408% (0.25   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD21  ASN   28  19.29 +/- 0.54   0.000% *  0.2109% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD21  ASN   28  28.22 +/- 0.82   0.000% *  1.3191% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 5.34, residual support = 46.6:
      O   HA    TRP   27 - HN    ASN   28   3.63 +/- 0.01  99.993% * 99.1641% (1.00   5.34  46.58) = 100.000%  kept
          HA    ALA   91 - HN    ASN   28  19.28 +/- 1.32   0.005% *  0.3430% (0.92   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ASN   28  22.67 +/- 0.58   0.002% *  0.2975% (0.80   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ASN   28  26.23 +/- 0.68   0.001% *  0.1955% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.57 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 = 5.78, residual support = 15.2:
          HA    VAL   24 - HN    ASN   28   3.48 +/- 0.19  99.982% * 99.4672% (0.92   5.78  15.19) = 100.000%  kept
          HA    LYS+  38 - HN    ASN   28  15.48 +/- 0.33   0.014% *  0.1533% (0.41   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ASN   28  20.23 +/- 0.48   0.003% *  0.1533% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASN   28  22.70 +/- 0.81   0.001% *  0.2262% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.33 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 = 46.6:
          HB2   TRP   27 - HN    ASN   28   2.71 +/- 0.14  99.993% * 99.2746% (0.80   5.59  46.58) = 100.000%  kept
          HA    THR   77 - HN    ASN   28  13.70 +/- 0.39   0.007% *  0.3704% (0.84   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    ASN   28  21.66 +/- 0.56   0.000% *  0.3551% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1125 (2.93, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.8, residual support = 100.4:
      O   HB2   ASN   28 - HN    ASN   28   2.18 +/- 0.05  99.962% * 98.8538% (0.97   6.80 100.40) = 100.000%  kept
          QE    LYS+  33 - HN    ASN   28   9.32 +/- 1.46   0.024% *  0.2704% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASN   28  10.11 +/- 0.36   0.011% *  0.1829% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   28  13.04 +/- 0.79   0.002% *  0.2783% (0.92   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   28  16.14 +/- 0.50   0.001% *  0.1131% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   28  21.80 +/- 1.46   0.000% *  0.3015% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 100.4:
      O   HB3   ASN   28 - HN    ASN   28   3.46 +/- 0.04  95.173% * 99.2970% (0.90   6.61 100.40) =  99.983%  kept
          HG2   GLN   30 - HN    ASN   28   5.88 +/- 0.58   4.826% *  0.3341% (1.00   0.02   6.56) =   0.017%
          QE    LYS+ 121 - HN    ASN   28  23.92 +/- 1.08   0.001% *  0.2432% (0.73   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    ASN   28  23.66 +/- 1.09   0.001% *  0.1257% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.407, support = 3.18, residual support = 23.7:
          HG3   GLU-  29 - HN    ASN   28   4.87 +/- 0.52  72.673% * 45.3612% (0.20   4.09  31.89) =  70.139%  kept
          HB2   GLU-  25 - HN    ASN   28   5.74 +/- 0.13  27.037% * 51.9038% (0.90   1.03   4.32) =  29.858%  kept
          HB2   MET   96 - HN    ASN   28  13.38 +/- 0.56   0.166% *  0.3457% (0.31   0.02   0.02) =   0.001%
          QG    GLN   17 - HN    ASN   28  16.12 +/- 1.37   0.061% *  0.8968% (0.80   0.02   0.02) =   0.001%
          HB    VAL   70 - HN    ASN   28  17.81 +/- 0.35   0.029% *  0.8132% (0.73   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    ASN   28  17.73 +/- 0.90   0.033% *  0.6793% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 1 structures by 0.03 A, kept.
 
    Peak 1128 (1.09, 8.80, 115.33 ppm):
    5 chemical-shift based assignments, quality = 0.485, support = 3.43, residual support = 15.2:
          QG2   VAL   24 - HN    ASN   28   3.64 +/- 0.15  78.179% * 47.4217% (0.45   3.59  15.19) =  76.722%  kept
          QG1   VAL   24 - HN    ASN   28   4.55 +/- 0.34  21.814% * 51.5656% (0.61   2.89  15.19) =  23.278%  kept
          QG1   VAL  107 - HN    ASN   28  18.27 +/- 0.57   0.005% *  0.5440% (0.92   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    ASN   28  21.75 +/- 0.87   0.002% *  0.1819% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ASN   28  29.34 +/- 1.02   0.000% *  0.2868% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 0.44, support = 3.25, residual support = 2.94:
          QD2   LEU   80 - HN    ASN   28   4.78 +/- 0.11  70.165% * 88.4098% (0.45   3.32   3.03) =  97.196%  kept
          QD1   LEU   73 - HN    ASN   28   5.93 +/- 0.32  20.377% *  8.2406% (0.15   0.90   0.02) =   2.631%  kept
          QG1   VAL   83 - HN    ASN   28   6.86 +/- 0.61   9.169% *  1.1868% (1.00   0.02   0.02) =   0.170%
          QG2   ILE   89 - HN    ASN   28  12.77 +/- 0.78   0.205% *  0.6734% (0.57   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    ASN   28  16.96 +/- 0.53   0.036% *  0.8170% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ASN   28  16.79 +/- 0.56   0.039% *  0.1835% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ASN   28  21.33 +/- 0.69   0.009% *  0.4890% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1130 (3.77, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.15, residual support = 22.9:
          HA    VAL   24 - HN    TRP   27   3.25 +/- 0.05  99.983% * 99.0609% (0.99   3.15  22.86) = 100.000%  kept
          HA    LYS+  38 - HN    TRP   27  17.11 +/- 0.22   0.005% *  0.4602% (0.73   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    ALA   91  16.43 +/- 0.61   0.006% *  0.0776% (0.12   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    TRP   27  18.89 +/- 0.44   0.003% *  0.1110% (0.18   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    TRP   27  22.36 +/- 0.67   0.001% *  0.1956% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ALA   91  20.21 +/- 0.31   0.002% *  0.0137% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    ALA   91  27.64 +/- 1.31   0.000% *  0.0569% (0.09   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ALA   91  28.18 +/- 0.63   0.000% *  0.0242% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 5.16, residual support = 94.8:
      O   HB2   TRP   27 - HN    TRP   27   2.17 +/- 0.07  99.692% * 99.2908% (0.99   5.16  94.76) = 100.000%  kept
          HA    THR   77 - HN    ALA   91   6.09 +/- 0.17   0.209% *  0.0252% (0.07   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    ALA   91   7.10 +/- 0.73   0.096% *  0.0475% (0.12   0.02   0.02) =   0.000%
          HA    THR   77 - HN    TRP   27  12.58 +/- 0.37   0.003% *  0.2042% (0.53   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    TRP   27  20.85 +/- 0.45   0.000% *  0.3847% (0.99   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ALA   91  16.79 +/- 0.67   0.000% *  0.0475% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 5.41, residual support = 94.8:
      O   HB3   TRP   27 - HN    TRP   27   2.83 +/- 0.14  99.972% * 98.7384% (0.99   5.41  94.76) = 100.000%  kept
          QE    LYS+ 106 - HN    TRP   27  17.57 +/- 1.14   0.002% *  0.2236% (0.61   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    TRP   27  19.19 +/- 0.42   0.001% *  0.3613% (0.98   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    TRP   27  17.91 +/- 0.59   0.002% *  0.1939% (0.53   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    ALA   91  14.02 +/- 2.03   0.011% *  0.0276% (0.07   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    TRP   27  17.49 +/- 0.43   0.002% *  0.1515% (0.41   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    TRP   27  18.50 +/- 0.91   0.002% *  0.1025% (0.28   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   91  16.12 +/- 0.55   0.003% *  0.0451% (0.12   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ALA   91  16.30 +/- 0.69   0.003% *  0.0187% (0.05   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   91  19.21 +/- 1.04   0.001% *  0.0446% (0.12   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    TRP   27  20.30 +/- 0.94   0.001% *  0.0499% (0.14   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    ALA   91  24.13 +/- 0.98   0.000% *  0.0240% (0.07   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ALA   91  22.72 +/- 1.50   0.000% *  0.0062% (0.02   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ALA   91  28.60 +/- 1.30   0.000% *  0.0127% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1133 (2.60, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 0.749, residual support = 1.5:
          HB3   CYS   21 - HN    TRP   27   3.88 +/- 0.10  99.916% * 96.3501% (0.53   0.75   1.50) =  99.999%  kept
          HG2   MET   96 - HN    TRP   27  15.74 +/- 0.77   0.024% *  2.9656% (0.61   0.02   0.02) =   0.001%
          HG2   MET   96 - HN    ALA   91  14.87 +/- 1.48   0.041% *  0.3664% (0.07   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ALA   91  16.43 +/- 0.60   0.018% *  0.3179% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1135 (1.50, 7.73, 123.24 ppm):
    20 chemical-shift based assignments, quality = 0.98, support = 4.4, residual support = 19.8:
          QG2   THR   26 - HN    TRP   27   3.06 +/- 0.23  99.901% * 97.5598% (0.98   4.40  19.83) = 100.000%  kept
          HB2   LYS+  74 - HN    TRP   27  11.49 +/- 0.32   0.038% *  0.3627% (0.80   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    TRP   27  13.93 +/- 0.32   0.012% *  0.0793% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    TRP   27  21.29 +/- 0.78   0.001% *  0.4519% (1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA   91  15.14 +/- 0.55   0.007% *  0.0448% (0.10   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA   91  16.69 +/- 0.39   0.004% *  0.0549% (0.12   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    TRP   27  22.88 +/- 0.74   0.001% *  0.3461% (0.76   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    TRP   27  18.55 +/- 0.53   0.002% *  0.0896% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ALA   91  13.11 +/- 1.01   0.020% *  0.0098% (0.02   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    TRP   27  19.80 +/- 0.55   0.001% *  0.1259% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    TRP   27  26.76 +/- 1.01   0.000% *  0.4519% (1.00   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    ALA   91  14.95 +/- 0.57   0.008% *  0.0111% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    TRP   27  25.04 +/- 0.53   0.000% *  0.1259% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    ALA   91  23.88 +/- 1.49   0.001% *  0.0558% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    TRP   27  25.52 +/- 0.43   0.000% *  0.0896% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA   91  24.32 +/- 0.46   0.000% *  0.0558% (0.12   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA   91  24.51 +/- 1.26   0.000% *  0.0428% (0.09   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    ALA   91  23.32 +/- 0.81   0.001% *  0.0156% (0.03   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    ALA   91  23.52 +/- 1.13   0.001% *  0.0156% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA   91  24.71 +/- 0.99   0.000% *  0.0111% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 0.775, support = 2.84, residual support = 15.0:
          QD2   LEU   80 - HN    TRP   27   4.03 +/- 0.08  86.398% * 66.2179% (0.76   2.93  15.20) =  95.278%  kept
          QD1   LEU   73 - HN    TRP   27   5.90 +/- 0.24   8.986% * 31.5094% (1.00   1.07  10.05) =   4.715%  kept
          QG1   VAL   83 - HN    TRP   27   7.06 +/- 0.48   3.233% *  0.0914% (0.15   0.02   0.02) =   0.005%
          QG2   VAL   41 - HN    TRP   27   9.06 +/- 0.30   0.683% *  0.0802% (0.14   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    TRP   27  16.45 +/- 0.52   0.019% *  0.5911% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   91  11.55 +/- 0.47   0.159% *  0.0559% (0.09   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   91  10.31 +/- 0.80   0.379% *  0.0113% (0.02   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    TRP   27  18.05 +/- 0.60   0.011% *  0.3593% (0.61   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  17.78 +/- 0.47   0.012% *  0.3117% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ALA   91  15.02 +/- 0.61   0.033% *  0.0730% (0.12   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    TRP   27  20.80 +/- 0.64   0.005% *  0.4744% (0.80   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   91  15.73 +/- 0.49   0.025% *  0.0730% (0.12   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   91  16.20 +/- 0.35   0.021% *  0.0586% (0.10   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   91  18.19 +/- 0.50   0.010% *  0.0444% (0.07   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   91  16.20 +/- 0.85   0.021% *  0.0099% (0.02   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  20.96 +/- 0.93   0.004% *  0.0385% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1137 (0.14, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.925, support = 0.0196, residual support = 2.02:
          QG2   VAL   75 - HN    TRP   27   6.38 +/- 0.42  92.238% * 43.3149% (0.95   0.02   2.07) =  97.767%  kept
          QG2   VAL   42 - HN    TRP   27  13.28 +/- 0.91   1.230% * 45.6877% (1.00   0.02   0.02) =   1.375%
          QG2   VAL   75 - HN    ALA   91  10.19 +/- 0.49   6.184% *  5.3521% (0.12   0.02   0.02) =   0.810%
          QG2   VAL   42 - HN    ALA   91  16.32 +/- 0.94   0.348% *  5.6453% (0.12   0.02   0.02) =   0.048%
    Distance limit 4.52 A violated in 20 structures by 1.87 A, eliminated.
    Peak unassigned.
 
    Peak 1138 (4.49, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.994, support = 0.0199, residual support = 94.4:
          HA    TRP   27 - HE1   TRP   27   6.05 +/- 0.11  99.586% * 30.5528% (1.00   0.02  94.76) =  99.634%  kept
          HA    ALA   91 - HE1   TRP   27  16.45 +/- 0.75   0.259% * 28.9660% (0.95   0.02   0.02) =   0.246%
          HA    VAL  107 - HE1   TRP   27  18.40 +/- 0.43   0.127% * 25.5766% (0.84   0.02   0.02) =   0.107%
          HA    PRO   52 - HE1   TRP   27  23.87 +/- 0.71   0.027% * 14.9047% (0.49   0.02   0.02) =   0.013%
    Distance limit 4.87 A violated in 20 structures by 1.18 A, eliminated.
    Peak unassigned.
 
    Peak 1139 (0.59, 10.20, 129.00 ppm):
    7 chemical-shift based assignments, quality = 0.968, support = 1.65, residual support = 14.3:
          QD2   LEU   80 - HE1   TRP   27   4.77 +/- 0.13  39.219% * 70.1617% (0.99   1.81  15.20) =  83.903%  kept
          QD1   LEU   73 - HE1   TRP   27   5.42 +/- 0.27  18.937% * 27.1635% (0.87   0.80  10.05) =  15.685%  kept
          QG1   VAL   83 - HE1   TRP   27   4.78 +/- 0.56  41.709% *  0.3214% (0.41   0.02   0.02) =   0.409%
          QD1   LEU  104 - HE1   TRP   27  14.43 +/- 0.45   0.052% *  0.6781% (0.87   0.02   0.02) =   0.001%
          QD1   LEU   63 - HE1   TRP   27  14.60 +/- 0.44   0.048% *  0.6781% (0.87   0.02   0.02) =   0.001%
          QD2   LEU  115 - HE1   TRP   27  18.86 +/- 0.56   0.010% *  0.7800% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HE1   TRP   27  16.28 +/- 0.62   0.025% *  0.2173% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1140 (0.05, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.341, support = 1.91, residual support = 16.2:
          QD2   LEU   31 - HE1   TRP   27   3.47 +/- 0.15  95.434% * 49.1997% (0.31   1.97  16.57) =  95.292%  kept
          QG2   VAL   43 - HE1   TRP   27   5.79 +/- 0.19   4.566% * 50.8003% (0.99   0.63   8.54) =   4.708%  kept
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1141 (2.19, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.26, residual support = 27.3:
          HB2   GLU-  25 - HN    THR   26   2.72 +/- 0.20  97.188% * 98.8938% (0.90   5.26  27.26) =  99.998%  kept
          HG3   GLU-  29 - HN    THR   26   5.10 +/- 0.65   2.805% *  0.0829% (0.20   0.02   2.19) =   0.002%
          QG    GLN   17 - HN    THR   26  15.69 +/- 1.44   0.004% *  0.3355% (0.80   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    THR   26  16.28 +/- 0.46   0.002% *  0.1293% (0.31   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    THR   26  19.75 +/- 0.32   0.001% *  0.3043% (0.73   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    THR   26  20.94 +/- 1.06   0.001% *  0.2541% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 27.3:
          HB3   GLU-  25 - HN    THR   26   3.12 +/- 0.22  99.014% * 95.5034% (0.57   5.26  27.26) =  99.995%  kept
          HG3   GLN   30 - HN    THR   26   7.51 +/- 0.71   0.719% *  0.5354% (0.84   0.02   5.17) =   0.004%
          HB2   GLN   30 - HN    THR   26   8.95 +/- 0.31   0.196% *  0.3372% (0.53   0.02   5.17) =   0.001%
          HB    ILE   19 - HN    THR   26  10.91 +/- 0.36   0.059% *  0.1269% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR   26  16.72 +/- 0.82   0.005% *  0.4899% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR   26  16.89 +/- 0.40   0.004% *  0.4899% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    THR   26  23.37 +/- 1.14   0.001% *  0.6396% (1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   26  23.09 +/- 0.64   0.001% *  0.3888% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    THR   26  29.22 +/- 0.67   0.000% *  0.5354% (0.84   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   26  29.12 +/- 0.49   0.000% *  0.3372% (0.53   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    THR   26  26.08 +/- 0.93   0.000% *  0.1598% (0.25   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    THR   26  26.22 +/- 0.73   0.000% *  0.1598% (0.25   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    THR   26  27.25 +/- 0.67   0.000% *  0.1978% (0.31   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR   26  24.81 +/- 0.54   0.000% *  0.0989% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 27.7:
          QG2   THR   26 - HN    THR   26   3.46 +/- 0.06  99.962% * 98.0842% (0.95   4.46  27.70) = 100.000%  kept
          HB2   LYS+  74 - HN    THR   26  13.19 +/- 0.29   0.033% *  0.4610% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    THR   26  22.81 +/- 0.84   0.001% *  0.4172% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    THR   26  20.75 +/- 0.55   0.002% *  0.2085% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   26  24.54 +/- 0.78   0.001% *  0.2085% (0.45   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   26  29.21 +/- 1.01   0.000% *  0.3885% (0.84   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   26  27.02 +/- 0.32   0.000% *  0.1160% (0.25   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   26  27.51 +/- 1.15   0.000% *  0.1160% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 0.575, support = 0.0195, residual support = 0.0195:
          HB3   LEU   80 - HN    THR   26   8.36 +/- 0.62  60.267% *  8.4695% (0.53   0.02   0.02) =  54.439%  kept
          HB2   LEU   31 - HN    THR   26   9.22 +/- 0.40  33.833% * 11.0578% (0.69   0.02   0.02) =  39.901%  kept
          QG2   THR   77 - HN    THR   26  13.43 +/- 0.39   3.558% *  7.8357% (0.49   0.02   0.02) =   2.973%  kept
          QB    ALA   88 - HN    THR   26  17.26 +/- 0.41   0.786% * 13.9639% (0.87   0.02   0.02) =   1.170%
          HG2   LYS+  38 - HN    THR   26  19.84 +/- 0.60   0.357% * 16.0623% (1.00   0.02   0.02) =   0.611%
          HB3   ASP-  44 - HN    THR   26  17.48 +/- 0.40   0.726% *  4.9686% (0.31   0.02   0.02) =   0.385%
          HG2   LYS+  99 - HN    THR   26  21.91 +/- 0.63   0.188% * 15.5357% (0.97   0.02   0.02) =   0.312%
          HB2   LEU   63 - HN    THR   26  21.44 +/- 0.59   0.212% *  6.6181% (0.41   0.02   0.02) =   0.150%
          HG2   LYS+ 111 - HN    THR   26  28.94 +/- 0.46   0.035% * 12.3026% (0.76   0.02   0.02) =   0.046%
          QB    ALA  124 - HN    THR   26  28.52 +/- 0.86   0.039% *  3.1858% (0.20   0.02   0.02) =   0.013%
    Distance limit 4.58 A violated in 20 structures by 3.09 A, eliminated.
    Peak unassigned.
 
    Peak 1145 (3.76, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.62, residual support = 37.1:
      O   HA    VAL   24 - HN    GLU-  25   3.57 +/- 0.02  99.994% * 99.4523% (0.92   5.62  37.07) = 100.000%  kept
          HA    LYS+  38 - HN    GLU-  25  20.06 +/- 0.28   0.003% *  0.1576% (0.41   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    GLU-  25  22.41 +/- 0.50   0.002% *  0.1576% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    GLU-  25  26.25 +/- 0.72   0.001% *  0.2325% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 5.95, residual support = 125.4:
      O   HB2   GLU-  25 - HN    GLU-  25   2.45 +/- 0.45  99.414% * 98.5381% (0.61   5.95 125.36) =  99.999%  kept
          HG3   GLU-  29 - HN    GLU-  25   6.48 +/- 0.79   0.482% *  0.2450% (0.45   0.02   0.12) =   0.001%
          HB3   GLU-  29 - HN    GLU-  25   8.48 +/- 0.33   0.101% *  0.0843% (0.15   0.02   0.12) =   0.000%
          QG    GLN   17 - HN    GLU-  25  17.91 +/- 1.40   0.001% *  0.2660% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  25  22.27 +/- 0.95   0.000% *  0.4901% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  25  19.46 +/- 0.65   0.001% *  0.1519% (0.28   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    GLU-  25  21.62 +/- 0.37   0.000% *  0.2246% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1147 (2.02, 8.78, 120.28 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 5.95, residual support = 125.4:
      O   HB3   GLU-  25 - HN    GLU-  25   2.86 +/- 0.64  99.801% * 95.9991% (0.57   5.95 125.36) =  99.999%  kept
          HG3   GLN   30 - HN    GLU-  25   9.88 +/- 0.72   0.120% *  0.4764% (0.84   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    GLU-  25  10.96 +/- 0.34   0.054% *  0.3001% (0.53   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU-  25  13.15 +/- 0.40   0.018% *  0.1129% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU-  25  19.07 +/- 0.85   0.002% *  0.4359% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU-  25  19.25 +/- 0.43   0.002% *  0.4359% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU-  25  25.72 +/- 1.06   0.000% *  0.5691% (1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLU-  25  23.84 +/- 0.67   0.000% *  0.3459% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLU-  25  29.52 +/- 0.74   0.000% *  0.4764% (0.84   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  25  27.19 +/- 0.85   0.000% *  0.1760% (0.31   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  25  26.52 +/- 0.76   0.000% *  0.1422% (0.25   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLU-  25  30.34 +/- 0.59   0.000% *  0.3001% (0.53   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  25  27.02 +/- 0.97   0.000% *  0.1422% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  25  27.07 +/- 0.60   0.000% *  0.0880% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1148 (1.29, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 3.26, residual support = 6.26:
          QG2   THR   23 - HN    GLU-  25   4.13 +/- 0.10  99.731% * 98.6122% (0.73   3.26   6.26) =  99.999%  kept
          QG2   THR   77 - HN    GLU-  25  13.12 +/- 0.44   0.100% *  0.6052% (0.73   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    GLU-  25  12.63 +/- 0.28   0.123% *  0.3128% (0.38   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU-  25  15.72 +/- 0.51   0.034% *  0.2843% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU-  25  18.41 +/- 0.48   0.013% *  0.1855% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 4.91, residual support = 37.1:
          QG2   VAL   24 - HN    GLU-  25   2.99 +/- 0.41  99.998% * 99.2917% (0.97   4.91  37.07) = 100.000%  kept
          QG1   VAL  107 - HN    GLU-  25  20.76 +/- 0.55   0.001% *  0.1572% (0.38   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    GLU-  25  24.81 +/- 0.78   0.000% *  0.3633% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    GLU-  25  29.76 +/- 0.92   0.000% *  0.1878% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1150 (2.52, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.36, residual support = 125.4:
          HG2   GLU-  25 - HN    GLU-  25   3.77 +/- 0.28  99.979% * 99.4403% (0.97   5.36 125.36) = 100.000%  kept
          HB3   TRP   87 - HN    GLU-  25  16.31 +/- 0.86   0.017% *  0.1187% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   95 - HN    GLU-  25  21.37 +/- 0.50   0.003% *  0.1871% (0.49   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    GLU-  25  31.56 +/- 0.74   0.000% *  0.1580% (0.41   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  25  32.99 +/- 0.68   0.000% *  0.0959% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.57 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 = 4.65, residual support = 66.5:
      O   HA    VAL   24 - HN    VAL   24   2.82 +/- 0.03  99.999% * 99.3390% (0.92   4.65  66.49) = 100.000%  kept
          HA    LYS+  38 - HN    VAL   24  20.83 +/- 0.26   0.001% *  0.1902% (0.41   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    VAL   24  21.56 +/- 0.51   0.001% *  0.1902% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   24  26.25 +/- 0.66   0.000% *  0.2806% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (2.12, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 4.68, residual support = 66.5:
      O   HB    VAL   24 - HN    VAL   24   2.12 +/- 0.21  99.899% * 98.7874% (0.95   4.68  66.49) = 100.000%  kept
          HB3   GLU-  79 - HN    VAL   24   7.11 +/- 0.55   0.097% *  0.0688% (0.15   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    VAL   24  11.96 +/- 0.38   0.004% *  0.4001% (0.90   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    VAL   24  24.11 +/- 0.67   0.000% *  0.4373% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    VAL   24  25.92 +/- 0.71   0.000% *  0.3064% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 5.53, residual support = 25.5:
          QG2   THR   23 - HN    VAL   24   3.62 +/- 0.11  99.791% * 99.1773% (0.73   5.53  25.53) =  99.999%  kept
          QG2   THR   77 - HN    VAL   24  11.21 +/- 0.51   0.120% *  0.3587% (0.73   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    VAL   24  13.09 +/- 0.27   0.046% *  0.1854% (0.38   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    VAL   24  13.78 +/- 0.46   0.034% *  0.1685% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    VAL   24  16.97 +/- 0.59   0.010% *  0.1100% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 0.818, support = 4.22, residual support = 66.5:
          QG1   VAL   24 - HN    VAL   24   2.82 +/- 0.48  68.962% * 77.1713% (0.90   4.09  66.49) =  88.681%  kept
          QG2   VAL   24 - HN    VAL   24   3.40 +/- 0.20  31.021% * 21.8975% (0.20   5.26  66.49) =  11.319%  kept
          HB3   LEU   31 - HN    VAL   24  11.63 +/- 0.20   0.016% *  0.0937% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    VAL   24  19.66 +/- 0.62   0.001% *  0.4172% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL   24  29.72 +/- 1.01   0.000% *  0.3370% (0.80   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    VAL   24  26.68 +/- 0.79   0.000% *  0.0833% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1155 (0.58, 9.21, 123.27 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 2.97, residual support = 9.64:
          QD2   LEU   80 - HN    VAL   24   2.72 +/- 0.24  97.889% * 96.4129% (0.76   2.97   9.64) =  99.996%  kept
          QG1   VAL   83 - HN    VAL   24   5.42 +/- 0.58   2.009% *  0.1312% (0.15   0.02   0.21) =   0.003%
          QD1   LEU   73 - HN    VAL   24   8.96 +/- 0.30   0.084% *  0.8484% (1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    VAL   24  11.94 +/- 0.31   0.015% *  0.1151% (0.14   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    VAL   24  18.60 +/- 0.56   0.001% *  0.8484% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    VAL   24  20.47 +/- 0.59   0.001% *  0.5157% (0.61   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    VAL   24  20.45 +/- 0.52   0.001% *  0.4474% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   24  22.40 +/- 0.72   0.000% *  0.6809% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1156 (3.49, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 4.99, residual support = 23.8:
          HB2   HIS   22 - HN    THR   23   4.24 +/- 0.37  99.985% * 99.6089% (0.99   4.99  23.76) = 100.000%  kept
          HA    LEU   63 - HN    THR   23  21.44 +/- 0.35   0.007% *  0.3366% (0.84   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    THR   23  20.88 +/- 1.32   0.008% *  0.0545% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1157 (3.23, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.6, residual support = 23.8:
          HB3   HIS   22 - HN    THR   23   3.74 +/- 0.28  99.990% * 99.7163% (0.76   5.60  23.76) = 100.000%  kept
          HD3   ARG+  54 - HN    THR   23  21.25 +/- 1.63   0.004% *  0.1915% (0.41   0.02   0.02) =   0.000%
          HB2   PHE   95 - HN    THR   23  19.07 +/- 0.33   0.006% *  0.0922% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1158 (2.58, 7.33, 104.59 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 1.85, residual support = 3.41:
          HB3   CYS   21 - HN    THR   23   3.88 +/- 0.25 100.000% *100.0000% (1.00   1.85   3.41) = 100.000%  kept
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1159 (1.49, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.726, support = 2.13, residual support = 13.9:
          QG2   THR   26 - HN    THR   23   3.43 +/- 0.27  99.806% * 94.9828% (0.73   2.13  13.89) =  99.998%  kept
          HB2   LYS+  74 - HN    THR   23   9.96 +/- 0.40   0.186% *  1.1629% (0.95   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    THR   23  20.31 +/- 0.56   0.003% *  0.8927% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    THR   23  20.46 +/- 0.73   0.002% *  0.7952% (0.65   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   23  24.38 +/- 1.12   0.001% *  0.5984% (0.49   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   23  25.20 +/- 0.31   0.001% *  0.5984% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   23  22.75 +/- 0.91   0.001% *  0.2737% (0.22   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   23  27.40 +/- 0.89   0.000% *  0.6960% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1160 (1.30, 7.33, 104.59 ppm):
    6 chemical-shift based assignments, quality = 0.411, support = 4.8, residual support = 19.4:
          QG2   THR   23 - HN    THR   23   3.37 +/- 0.21  99.806% * 97.7252% (0.41   4.80  19.40) =  99.999%  kept
          QG2   THR   77 - HN    THR   23  10.39 +/- 0.34   0.127% *  0.9555% (0.97   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    THR   23  11.99 +/- 0.30   0.052% *  0.1528% (0.15   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    THR   23  15.25 +/- 0.26   0.012% *  0.6405% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   23  21.39 +/- 0.83   0.002% *  0.3056% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   23  22.12 +/- 0.59   0.001% *  0.2204% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 0.266, support = 1.46, residual support = 4.93:
          QD2   LEU   80 - HN    THR   23   3.59 +/- 0.22  71.744% * 45.8889% (0.20   1.73   4.93) =  72.874%  kept
          QD1   LEU   80 - HN    THR   23   4.51 +/- 1.00  27.149% * 45.0805% (0.45   0.75   4.93) =  27.091%  kept
          QD1   LEU   73 - HN    THR   23   7.23 +/- 0.26   0.967% *  1.4107% (0.53   0.02   0.02) =   0.030%
          QG2   VAL   41 - HN    THR   23  10.67 +/- 0.27   0.095% *  1.7346% (0.65   0.02   0.02) =   0.004%
          QD2   LEU   98 - HN    THR   23  12.79 +/- 0.60   0.031% *  1.2021% (0.45   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    THR   23  18.13 +/- 0.49   0.004% *  2.6754% (1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    THR   23  16.33 +/- 0.49   0.007% *  1.4107% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    THR   23  20.14 +/- 0.59   0.002% *  0.5970% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1162 (3.23, 9.10, 120.75 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.44, residual support = 33.2:
      O   HB3   HIS   22 - HN    HIS   22   2.76 +/- 0.41  99.999% * 99.5712% (0.98   3.44  33.24) = 100.000%  kept
          HD3   ARG+  54 - HN    HIS   22  19.76 +/- 1.67   0.001% *  0.4288% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 0.261, support = 6.38, residual support = 155.9:
          HG3   ARG+  54 - HN    ARG+  54   3.78 +/- 0.10  57.493% * 94.9270% (0.26   6.42 156.80) =  99.405%  kept
          QB    ALA   57 - HN    ARG+  54   4.05 +/- 0.30  39.602% *  0.8129% (0.72   0.02   0.02) =   0.586%
          QB    ALA   57 - HN    ASP-  62   6.40 +/- 0.10   2.486% *  0.1521% (0.14   0.02   0.02) =   0.007%
          HD2   LYS+  74 - HN    ARG+  54  10.68 +/- 0.64   0.128% *  0.4769% (0.42   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HN    ASP-  62  10.02 +/- 0.72   0.189% *  0.0892% (0.08   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ARG+  54  15.55 +/- 0.64   0.013% *  0.8517% (0.76   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ASP-  62  13.32 +/- 0.57   0.032% *  0.1951% (0.17   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HN    ASP-  62  12.58 +/- 0.76   0.046% *  0.0553% (0.05   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ARG+  54  23.85 +/- 0.43   0.001% *  1.0426% (0.93   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ASP-  62  17.69 +/- 0.39   0.006% *  0.1594% (0.14   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ARG+  54  24.62 +/- 1.20   0.001% *  1.0426% (0.93   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ASP-  62  18.97 +/- 1.55   0.004% *  0.1951% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1165 (3.08, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.42, residual support = 29.6:
      O   HB2   CYS   21 - HN    CYS   21   2.40 +/- 0.30  99.971% * 99.4038% (0.90   3.42  29.58) = 100.000%  kept
          HB2   PHE   45 - HN    CYS   21  10.81 +/- 0.18   0.015% *  0.1135% (0.18   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    ILE  119  11.54 +/- 0.63   0.012% *  0.0632% (0.10   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    ILE  119  15.50 +/- 0.31   0.002% *  0.0359% (0.06   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    CYS   21  21.12 +/- 0.54   0.000% *  0.2000% (0.31   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    ILE  119  20.98 +/- 0.54   0.000% *  0.1836% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1166 (2.60, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 3.35, residual support = 29.6:
      O   HB3   CYS   21 - HN    CYS   21   3.51 +/- 0.13  99.946% * 98.9180% (0.53   3.35  29.58) = 100.000%  kept
          HG2   MET   96 - HN    CYS   21  13.88 +/- 0.46   0.028% *  0.6805% (0.61   0.02   0.02) =   0.000%
          HG2   MET   96 - HN    ILE  119  14.10 +/- 0.44   0.025% *  0.2150% (0.19   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ILE  119  22.45 +/- 0.47   0.001% *  0.1865% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 0.296, support = 0.0184, residual support = 0.186:
          HG    LEU  123 - HN    ILE  119   6.72 +/- 0.69  57.663% *  3.5886% (0.32   0.02   0.27) =  68.081%  kept
          QB    LYS+  66 - HN    ILE  119   8.40 +/- 0.49  15.086% *  2.1815% (0.19   0.02   0.02) =  10.827%  kept
          HB    VAL   41 - HN    CYS   21  11.63 +/- 0.48   2.256% *  9.1141% (0.80   0.02   0.02) =   6.763%  kept
          HB3   ASP- 105 - HN    ILE  119   8.22 +/- 0.20  17.196% *  1.1101% (0.10   0.02   0.02) =   6.280%  kept
          QB    LYS+  33 - HN    CYS   21  11.01 +/- 0.15   2.950% *  2.5341% (0.22   0.02   0.02) =   2.460%
          HG12  ILE  103 - HN    CYS   21  16.71 +/- 0.65   0.261% * 10.5070% (0.92   0.02   0.02) =   0.903%
          QB    LYS+  66 - HN    CYS   21  16.30 +/- 0.38   0.280% *  6.9036% (0.61   0.02   0.02) =   0.637%
          HB3   PRO   52 - HN    CYS   21  17.97 +/- 0.80   0.159% * 11.3569% (1.00   0.02   0.02) =   0.596%
          HG2   ARG+  54 - HN    CYS   21  15.52 +/- 1.07   0.400% *  3.8825% (0.34   0.02   0.02) =   0.511%
          HB3   PRO   52 - HN    ILE  119  15.60 +/- 0.75   0.374% *  3.5886% (0.32   0.02   0.02) =   0.442%
          HG2   PRO   93 - HN    CYS   21  16.05 +/- 0.79   0.315% *  3.8825% (0.34   0.02   0.02) =   0.403%
          HG12  ILE  103 - HN    ILE  119  15.76 +/- 0.72   0.364% *  3.3201% (0.29   0.02   0.02) =   0.398%
          HG2   PRO   93 - HN    ILE  119  14.25 +/- 0.49   0.632% *  1.2268% (0.11   0.02   0.02) =   0.255%
          HB    VAL   41 - HN    ILE  119  16.96 +/- 0.86   0.224% *  2.8799% (0.25   0.02   0.02) =   0.212%
          HB3   ASP- 105 - HN    CYS   21  18.50 +/- 0.54   0.132% *  3.5131% (0.31   0.02   0.02) =   0.153%
          HB    ILE  103 - HN    CYS   21  19.21 +/- 0.39   0.108% *  4.2718% (0.38   0.02   0.02) =   0.152%
          HG3   PRO   68 - HN    CYS   21  19.43 +/- 0.50   0.098% *  4.6793% (0.41   0.02   0.02) =   0.150%
          HB    ILE  103 - HN    ILE  119  15.86 +/- 0.32   0.332% *  1.3499% (0.12   0.02   0.02) =   0.148%
          HB3   GLN   90 - HN    CYS   21  17.02 +/- 0.47   0.219% *  1.9934% (0.18   0.02   0.02) =   0.144%
          HG3   PRO   68 - HN    ILE  119  16.46 +/- 0.88   0.295% *  1.4786% (0.13   0.02   0.02) =   0.143%
          HG    LEU  123 - HN    CYS   21  23.06 +/- 0.60   0.036% * 11.3569% (1.00   0.02   0.02) =   0.134%
          QB    LYS+ 102 - HN    CYS   21  19.35 +/- 0.50   0.104% *  1.9934% (0.18   0.02   0.02) =   0.068%
          HG2   ARG+  54 - HN    ILE  119  18.01 +/- 0.40   0.154% *  1.2268% (0.11   0.02   0.02) =   0.062%
          QB    LYS+ 102 - HN    ILE  119  16.30 +/- 0.34   0.280% *  0.6299% (0.06   0.02   0.02) =   0.058%
          QB    LYS+  33 - HN    ILE  119  21.32 +/- 0.69   0.057% *  0.8007% (0.07   0.02   0.02) =   0.015%
          HB3   GLN   90 - HN    ILE  119  24.60 +/- 0.49   0.024% *  0.6299% (0.06   0.02   0.02) =   0.005%
    Distance limit 3.65 A violated in 20 structures by 2.51 A, eliminated.
    Peak unassigned.
 
    Peak 1168 (1.13, 7.93, 121.01 ppm):
    14 chemical-shift based assignments, quality = 0.507, support = 5.68, residual support = 153.5:
          HG13  ILE  119 - HN    ILE  119   3.05 +/- 0.71  66.349% * 40.7971% (0.31   6.95 246.70) =  59.887%  kept
          QB    ALA   20 - HN    CYS   21   3.53 +/- 0.02  31.488% * 57.5781% (0.80   3.79  14.45) =  40.111%  kept
          QG2   VAL  107 - HN    ILE  119   6.08 +/- 0.27   1.303% *  0.0267% (0.07   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    ILE  119   6.91 +/- 0.23   0.557% *  0.0493% (0.13   0.02   0.71) =   0.001%
          QG1   VAL   24 - HN    CYS   21   8.78 +/- 0.54   0.150% *  0.1170% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    CYS   21  11.75 +/- 0.12   0.023% *  0.3660% (0.97   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ILE  119   9.18 +/- 0.84   0.119% *  0.0493% (0.13   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  18.64 +/- 0.52   0.001% *  0.3717% (0.98   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    CYS   21  14.51 +/- 0.32   0.006% *  0.0844% (0.22   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  18.24 +/- 0.47   0.002% *  0.0960% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  22.00 +/- 0.89   0.001% *  0.1559% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  23.44 +/- 0.41   0.000% *  0.1559% (0.41   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  22.71 +/- 0.84   0.000% *  0.1156% (0.30   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  22.75 +/- 1.12   0.000% *  0.0370% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.505, support = 1.46, residual support = 4.33:
          QD2   LEU   73 - HN    CYS   21   5.43 +/- 0.57  34.807% * 74.8442% (0.57   1.59   5.20) =  82.816%  kept
          QD1   ILE   19 - HN    CYS   21   5.47 +/- 0.49  32.024% * 15.8719% (0.22   0.86   0.16) =  16.158%  kept
          QG2   VAL   18 - HN    CYS   21   6.53 +/- 0.33  10.099% *  1.0751% (0.65   0.02   0.02) =   0.345%
          QG1   VAL   43 - HN    CYS   21   6.91 +/- 0.46   7.191% *  1.4416% (0.87   0.02   0.02) =   0.330%
          QG2   THR   46 - HN    CYS   21   6.64 +/- 0.37   9.311% *  0.8744% (0.53   0.02   0.02) =   0.259%
          HG    LEU   31 - HN    CYS   21   9.60 +/- 0.24   0.967% *  1.2068% (0.73   0.02   0.02) =   0.037%
          QG1   VAL   41 - HN    CYS   21  10.85 +/- 0.36   0.463% *  1.6290% (0.98   0.02   0.02) =   0.024%
          QD1   ILE   56 - HN    ILE  119   7.45 +/- 0.28   4.454% *  0.1621% (0.10   0.02   0.02) =   0.023%
          QG1   VAL   43 - HN    ILE  119  13.29 +/- 0.42   0.143% *  0.4555% (0.27   0.02   0.02) =   0.002%
          QG2   VAL   18 - HN    ILE  119  12.83 +/- 0.54   0.176% *  0.3397% (0.20   0.02   0.02) =   0.002%
          QG1   VAL   41 - HN    ILE  119  14.55 +/- 0.50   0.081% *  0.5148% (0.31   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    CYS   21  14.60 +/- 0.33   0.078% *  0.5130% (0.31   0.02   0.02) =   0.001%
          QD2   LEU   73 - HN    ILE  119  14.62 +/- 1.12   0.091% *  0.2973% (0.18   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ILE  119  14.25 +/- 0.65   0.094% *  0.2763% (0.17   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    ILE  119  22.98 +/- 1.18   0.005% *  0.3813% (0.23   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    ILE  119  19.02 +/- 0.34   0.016% *  0.1169% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 6 structures by 0.27 A, kept.
 
    Peak 1170 (0.57, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.26, support = 4.03, residual support = 8.91:
          QD2   LEU  115 - HN    ILE  119   3.46 +/- 0.31  70.091% * 10.3452% (0.07   3.87  11.63) =  57.929%  kept
          QD1   LEU   73 - HN    CYS   21   5.23 +/- 0.21   6.059% * 86.0897% (0.53   4.30   5.20) =  41.670%  kept
          QD2   LEU   63 - HN    ILE  119   4.84 +/- 0.56  11.443% *  0.2399% (0.32   0.02   0.02) =   0.219%
          QD1   LEU   63 - HN    ILE  119   5.18 +/- 0.45   7.188% *  0.1265% (0.17   0.02   0.02) =   0.073%
          QD1   LEU   80 - HN    CYS   21   7.71 +/- 1.35   2.169% *  0.3411% (0.45   0.02   0.02) =   0.059%
          QD2   LEU   80 - HN    CYS   21   6.06 +/- 0.23   2.501% *  0.1506% (0.20   0.02   0.02) =   0.030%
          QG2   VAL   41 - HN    CYS   21   8.34 +/- 0.28   0.369% *  0.4922% (0.65   0.02   0.02) =   0.015%
          QD2   LEU   98 - HN    CYS   21  11.05 +/- 0.68   0.073% *  0.3411% (0.45   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    CYS   21  11.98 +/- 0.47   0.043% *  0.4003% (0.53   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    CYS   21  13.78 +/- 0.40   0.018% *  0.7591% (1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    ILE  119  14.34 +/- 0.40   0.014% *  0.1555% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ILE  119  14.45 +/- 0.61   0.014% *  0.1078% (0.14   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    CYS   21  15.81 +/- 0.63   0.008% *  0.1694% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ILE  119  16.17 +/- 0.48   0.007% *  0.1265% (0.17   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ILE  119  22.26 +/- 0.97   0.001% *  0.1078% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE  119  20.53 +/- 0.41   0.002% *  0.0476% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 0.272, support = 5.69, residual support = 33.3:
          HN    THR  118 - HN    ILE  119   2.56 +/- 0.08  97.328% * 51.8061% (0.28   5.82  34.05) =  97.759%  kept
          HN    GLN  116 - HN    ILE  119   4.75 +/- 0.11   2.493% * 46.3217% (0.53   2.75  14.59) =   2.239%
          HN    GLU- 114 - HN    ILE  119   7.95 +/- 0.25   0.116% *  0.6061% (0.95   0.02   0.02) =   0.001%
          HN    PHE   60 - HN    ILE  119   9.18 +/- 0.24   0.048% *  0.0867% (0.14   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    CYS   21  12.69 +/- 0.24   0.007% *  0.1915% (0.30   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ILE  119  16.36 +/- 0.48   0.001% *  0.6061% (0.95   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    CYS   21  13.16 +/- 0.38   0.005% *  0.0274% (0.04   0.02   0.02) =   0.000%
          HN    GLU- 114 - HN    CYS   21  22.67 +/- 0.39   0.000% *  0.1915% (0.30   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    CYS   21  21.65 +/- 0.48   0.000% *  0.1065% (0.17   0.02   0.02) =   0.000%
          HN    THR  118 - HN    CYS   21  21.14 +/- 0.33   0.000% *  0.0563% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 0.359, support = 2.7, residual support = 16.0:
          QE    PHE   59 - HN    ILE  119   3.70 +/- 0.22  89.420% * 33.5170% (0.22   3.00  17.84) =  82.375%  kept
          HN    HIS  122 - HN    ILE  119   5.38 +/- 0.19  10.010% * 64.0304% (1.00   1.28   7.18) =  17.617%  kept
          HN    PHE   59 - HN    ILE  119   8.80 +/- 0.26   0.515% *  0.5682% (0.57   0.02  17.84) =   0.008%
          HN    PHE   59 - HN    CYS   21  15.76 +/- 0.41   0.016% *  0.1796% (0.18   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    CYS   21  18.26 +/- 0.63   0.007% *  0.3164% (0.32   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    CYS   21  14.66 +/- 1.17   0.029% *  0.0706% (0.07   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    CYS   21  20.94 +/- 0.47   0.003% *  0.3164% (0.32   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE  119  26.74 +/- 0.81   0.001% *  1.0014% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1174 (8.71, 7.93, 121.01 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 2.99, residual support = 14.4:
          HN    ALA   20 - HN    CYS   21   4.29 +/- 0.03  99.993% * 99.7889% (0.95   2.99  14.45) = 100.000%  kept
          HN    ALA   20 - HN    ILE  119  21.40 +/- 0.47   0.007% *  0.2111% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 5.92, residual support = 48.9:
        T HN    ALA  120 - HN    ILE  119   2.74 +/- 0.07  97.460% * 98.9482% (1.00   5.92  48.87) =  99.993%  kept
          HE21  GLN  116 - HN    ILE  119   5.31 +/- 0.49   2.340% *  0.2679% (0.80   0.02  14.59) =   0.006%
          HN    ALA  124 - HN    ILE  119   8.01 +/- 0.11   0.159% *  0.0834% (0.25   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    ILE  119  12.44 +/- 0.23   0.012% *  0.2429% (0.73   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    CYS   21  11.85 +/- 1.61   0.024% *  0.0185% (0.06   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    CYS   21  14.85 +/- 0.53   0.004% *  0.0768% (0.23   0.02   0.02) =   0.000%
        T HN    ALA  120 - HN    CYS   21  22.71 +/- 0.40   0.000% *  0.1057% (0.32   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    ILE  119  20.97 +/- 1.11   0.001% *  0.0586% (0.18   0.02   0.02) =   0.000%
          HE21  GLN  116 - HN    CYS   21  22.42 +/- 0.95   0.000% *  0.0846% (0.25   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    CYS   21  18.29 +/- 1.20   0.001% *  0.0209% (0.06   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE  119  27.11 +/- 1.29   0.000% *  0.0662% (0.20   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    CYS   21  25.65 +/- 0.40   0.000% *  0.0264% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 5.5, residual support = 34.1:
          HB    THR  118 - HN    ILE  119   3.09 +/- 0.12  99.946% * 98.1166% (0.98   5.50  34.05) = 100.000%  kept
          HB3   SER   82 - HN    CYS   21  12.32 +/- 0.26   0.025% *  0.0473% (0.13   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    CYS   21  15.38 +/- 0.49   0.007% *  0.1032% (0.28   0.02   0.02) =   0.000%
          HB    THR   39 - HN    CYS   21  15.66 +/- 0.91   0.006% *  0.0879% (0.24   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    CYS   21  16.09 +/- 0.48   0.005% *  0.1032% (0.28   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE  119  19.28 +/- 0.60   0.002% *  0.2783% (0.76   0.02   0.02) =   0.000%
          QB    SER   13 - HN    CYS   21  16.55 +/- 0.97   0.005% *  0.0835% (0.23   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE  119  22.18 +/- 0.57   0.001% *  0.3266% (0.90   0.02   0.02) =   0.000%
          HB    THR  118 - HN    CYS   21  18.93 +/- 0.32   0.002% *  0.1128% (0.31   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ILE  119  23.49 +/- 0.43   0.001% *  0.3266% (0.90   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE  119  24.23 +/- 1.30   0.000% *  0.2644% (0.73   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ILE  119  28.53 +/- 0.72   0.000% *  0.1497% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1178 (2.26, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.897, support = 7.47, residual support = 246.7:
          HG12  ILE  119 - HN    ILE  119   2.57 +/- 0.22  99.562% * 97.6199% (0.90   7.47 246.70) = 100.000%  kept
          HB2   ASP-  44 - HN    CYS   21   8.04 +/- 0.35   0.123% *  0.0826% (0.28   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYS   21   8.59 +/- 0.57   0.089% *  0.0889% (0.30   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    ILE  119   7.77 +/- 0.30   0.149% *  0.0394% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    CYS   21   9.93 +/- 0.57   0.041% *  0.0485% (0.17   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ILE  119  13.00 +/- 0.31   0.007% *  0.2614% (0.90   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ILE  119  14.46 +/- 0.55   0.004% *  0.2813% (0.97   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   21  12.98 +/- 1.54   0.008% *  0.0850% (0.29   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   21  12.86 +/- 1.21   0.009% *  0.0737% (0.25   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   21  15.01 +/- 0.77   0.003% *  0.0913% (0.31   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ILE  119  18.87 +/- 0.99   0.001% *  0.2334% (0.80   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    CYS   21  16.18 +/- 1.53   0.002% *  0.0379% (0.13   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ILE  119  19.32 +/- 1.10   0.001% *  0.1198% (0.41   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ILE  119  23.00 +/- 0.56   0.000% *  0.2889% (0.99   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ILE  119  23.05 +/- 1.16   0.000% *  0.2690% (0.92   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    CYS   21  19.53 +/- 0.67   0.001% *  0.0826% (0.28   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   21  21.07 +/- 2.02   0.000% *  0.0314% (0.11   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ILE  119  27.31 +/- 0.61   0.000% *  0.1533% (0.53   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    CYS   21  19.17 +/- 0.33   0.001% *  0.0125% (0.04   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ILE  119  28.24 +/- 2.06   0.000% *  0.0994% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 246.7:
      O   HB    ILE  119 - HN    ILE  119   2.33 +/- 0.18  99.752% * 97.4791% (0.92   7.53 246.70) = 100.000%  kept
          HG3   GLN   30 - HN    CYS   21   7.59 +/- 0.61   0.099% *  0.0878% (0.31   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    CYS   21   7.91 +/- 0.25   0.075% *  0.0818% (0.29   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE  119   9.30 +/- 0.41   0.029% *  0.1153% (0.41   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ILE  119  11.50 +/- 0.69   0.008% *  0.2036% (0.73   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    CYS   21  10.14 +/- 0.44   0.017% *  0.0302% (0.11   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ILE  119  14.36 +/- 0.36   0.002% *  0.0956% (0.34   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE  119  16.95 +/- 0.57   0.001% *  0.2036% (0.73   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ILE  119  16.77 +/- 0.28   0.001% *  0.1814% (0.65   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    CYS   21  11.74 +/- 0.14   0.007% *  0.0175% (0.06   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    CYS   21  13.40 +/- 0.88   0.004% *  0.0302% (0.11   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    CYS   21  13.34 +/- 0.45   0.003% *  0.0302% (0.11   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ILE  119  21.41 +/- 0.34   0.000% *  0.2706% (0.97   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ILE  119  21.73 +/- 0.53   0.000% *  0.2588% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ILE  119  18.77 +/- 0.68   0.000% *  0.0956% (0.34   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    CYS   21  17.72 +/- 1.28   0.001% *  0.0643% (0.23   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    CYS   21  17.73 +/- 0.89   0.001% *  0.0573% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE  119  19.46 +/- 0.74   0.000% *  0.0956% (0.34   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ILE  119  23.45 +/- 0.77   0.000% *  0.2779% (0.99   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    CYS   21  21.31 +/- 0.47   0.000% *  0.0818% (0.29   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   21  20.92 +/- 0.39   0.000% *  0.0643% (0.23   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    CYS   21  22.05 +/- 0.48   0.000% *  0.0855% (0.30   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    CYS   21  21.86 +/- 0.62   0.000% *  0.0364% (0.13   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE  119  30.97 +/- 0.45   0.000% *  0.0555% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 0.954, support = 6.8, residual support = 235.9:
          HG13  ILE  119 - HN    ILE  119   3.05 +/- 0.71  64.754% * 89.4505% (0.99   6.95 246.70) =  95.359%  kept
          QB    ALA   20 - HN    CYS   21   3.53 +/- 0.02  29.824% *  9.4426% (0.19   3.79  14.45) =   4.636%  kept
          QG1   VAL  107 - HN    ILE  119   4.85 +/- 0.26   4.606% *  0.0514% (0.20   0.02   0.02) =   0.004%
          HG2   LYS+ 121 - HN    ILE  119   6.91 +/- 0.23   0.528% *  0.0648% (0.25   0.02   0.71) =   0.001%
          HD3   LYS+ 112 - HN    ILE  119   9.18 +/- 0.84   0.113% *  0.1576% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    CYS   21   8.78 +/- 0.54   0.142% *  0.0400% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    CYS   21  11.75 +/- 0.12   0.022% *  0.0819% (0.32   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  18.24 +/- 0.47   0.002% *  0.1576% (0.61   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  18.64 +/- 0.52   0.001% *  0.0814% (0.31   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    CYS   21  14.35 +/- 0.48   0.007% *  0.0162% (0.06   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  22.71 +/- 0.84   0.000% *  0.2593% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  22.75 +/- 1.12   0.000% *  0.1265% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  22.00 +/- 0.89   0.001% *  0.0498% (0.19   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  23.44 +/- 0.41   0.000% *  0.0205% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.383, support = 0.0191, residual support = 5.47:
          HG3   LYS+  74 - HN    CYS   21   5.38 +/- 0.30  59.807% *  3.7747% (0.23   0.02  10.03) =  48.496%  kept
          HB    VAL   75 - HN    CYS   21   6.11 +/- 0.23  28.283% *  3.9726% (0.24   0.02   2.50) =  24.137%  kept
          QD1   LEU   67 - HN    ILE  119   8.43 +/- 1.57   5.814% * 15.1858% (0.92   0.02   0.02) =  18.968%  kept
          QD2   LEU   40 - HN    ILE  119  10.32 +/- 0.37   1.227% * 15.5616% (0.95   0.02   0.02) =   4.101%  kept
          QG2   ILE  103 - HN    ILE  119  11.23 +/- 0.28   0.735% * 13.7407% (0.84   0.02   0.02) =   2.170%
          QD2   LEU   71 - HN    CYS   21   9.04 +/- 0.34   2.714% *  1.2962% (0.08   0.02   0.02) =   0.756%
          QD1   LEU   67 - HN    CYS   21  12.81 +/- 1.17   0.443% *  4.7985% (0.29   0.02   0.02) =   0.456%
          QD2   LEU   40 - HN    CYS   21  12.97 +/- 0.41   0.314% *  4.9173% (0.30   0.02   0.02) =   0.332%
          QD1   ILE  103 - HN    ILE  119  13.65 +/- 0.55   0.231% *  2.8810% (0.18   0.02   0.02) =   0.143%
          HG3   LYS+  74 - HN    ILE  119  17.65 +/- 0.78   0.052% * 11.9456% (0.73   0.02   0.02) =   0.132%
          HB    VAL   75 - HN    ILE  119  18.07 +/- 0.89   0.043% * 12.5720% (0.76   0.02   0.02) =   0.116%
          QG2   ILE  103 - HN    CYS   21  15.60 +/- 0.26   0.101% *  4.3419% (0.26   0.02   0.02) =   0.094%
          QD2   LEU   71 - HN    ILE  119  16.33 +/- 0.35   0.076% *  4.1020% (0.25   0.02   0.02) =   0.067%
          QD1   ILE  103 - HN    CYS   21  14.48 +/- 0.37   0.161% *  0.9104% (0.06   0.02   0.02) =   0.031%
    Distance limit 3.57 A violated in 20 structures by 1.39 A, eliminated.
    Peak unassigned.
 
    Peak 1182 (0.21, 7.92, 121.27 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 6.21, residual support = 34.1:
          QG2   THR  118 - HN    ILE  119   3.75 +/- 0.08  99.973% * 99.8983% (0.57   6.21  34.05) = 100.000%  kept
          QG2   THR  118 - HN    CYS   21  14.84 +/- 0.26   0.027% *  0.1017% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 0.804, support = 3.45, residual support = 44.8:
          QB    ALA  120 - HN    ILE  119   4.27 +/- 0.05  65.530% * 60.3356% (0.80   3.76  48.87) =  89.139%  kept
          HG    LEU  115 - HN    ILE  119   5.56 +/- 0.40  14.911% * 15.8250% (0.80   0.99  11.63) =   5.320%  kept
          HB3   LEU  115 - HN    ILE  119   5.58 +/- 0.32  13.841% * 16.3026% (0.95   0.86  11.63) =   5.087%  kept
          HG    LEU   73 - HN    CYS   21   6.87 +/- 0.21   3.866% *  5.1261% (0.15   1.66   5.20) =   0.447%
          QG    LYS+  66 - HN    ILE  119   8.59 +/- 0.65   1.107% *  0.1236% (0.31   0.02   0.02) =   0.003%
          HG    LEU   67 - HN    ILE  119  11.29 +/- 1.78   0.290% *  0.3969% (0.99   0.02   0.02) =   0.003%
          HG    LEU   40 - HN    ILE  119  12.74 +/- 0.82   0.104% *  0.3788% (0.95   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    ILE  119  14.07 +/- 0.63   0.054% *  0.2267% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ILE  119  12.32 +/- 0.63   0.120% *  0.0701% (0.18   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  14.86 +/- 1.14   0.041% *  0.1197% (0.30   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  16.49 +/- 1.06   0.022% *  0.1254% (0.31   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  17.53 +/- 0.37   0.014% *  0.1949% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  19.90 +/- 1.50   0.007% *  0.2429% (0.61   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  17.85 +/- 0.82   0.013% *  0.1197% (0.30   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    CYS   21  16.56 +/- 0.64   0.020% *  0.0716% (0.18   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    CYS   21  19.35 +/- 1.08   0.008% *  0.1013% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    CYS   21  15.52 +/- 0.63   0.030% *  0.0222% (0.06   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  17.31 +/- 0.57   0.015% *  0.0391% (0.10   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    CYS   21  20.96 +/- 0.32   0.005% *  0.1013% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  22.12 +/- 0.84   0.004% *  0.0767% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1184 (0.13, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 1.75, residual support = 2.5:
          QG2   VAL   75 - HN    CYS   21   4.19 +/- 0.25  98.151% * 98.2415% (1.00   1.75   2.50) =  99.988%  kept
          QG2   VAL   42 - HN    CYS   21  10.00 +/- 1.27   0.761% *  1.0662% (0.95   0.02   0.02) =   0.008%
          QG2   VAL   42 - HN    ILE  119   9.21 +/- 0.70   1.055% *  0.3369% (0.30   0.02   0.02) =   0.004%
          QG2   VAL   75 - HN    ILE  119  16.10 +/- 0.45   0.033% *  0.3554% (0.32   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1185 (1.15, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 3.73, residual support = 15.2:
      O   QB    ALA   20 - HN    ALA   20   2.08 +/- 0.05  99.998% * 98.1175% (0.84   3.73  15.23) = 100.000%  kept
          QG2   VAL  107 - HN    ALA   20  16.26 +/- 0.36   0.000% *  0.5641% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ALA   20  13.80 +/- 0.26   0.001% *  0.1941% (0.31   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ALA   20  19.15 +/- 0.28   0.000% *  0.2820% (0.45   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ALA   20  19.04 +/- 0.58   0.000% *  0.2146% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    ALA   20  24.53 +/- 0.50   0.000% *  0.6276% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 3.68, residual support = 25.4:
          QG2   ILE   19 - HN    ALA   20   2.92 +/- 0.16  99.991% * 99.7548% (0.99   3.68  25.43) = 100.000%  kept
          QD1   LEU   98 - HN    ALA   20  14.10 +/- 1.01   0.009% *  0.2452% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 5.81, residual support = 170.4:
      O   HB    ILE   19 - HN    ILE   19   2.10 +/- 0.06  99.778% * 97.9819% (0.97   5.81 170.43) =  99.999%  kept
          HB2   GLN   17 - HN    ILE   19   6.02 +/- 0.24   0.191% *  0.2536% (0.73   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE   19   8.59 +/- 0.49   0.024% *  0.2536% (0.73   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ILE   19  13.15 +/- 0.43   0.002% *  0.3224% (0.92   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE   19  11.81 +/- 1.28   0.004% *  0.1191% (0.34   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE   19  15.44 +/- 0.45   0.001% *  0.3132% (0.90   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ILE   19  19.18 +/- 0.68   0.000% *  0.3461% (0.99   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    ILE   19  16.68 +/- 0.48   0.000% *  0.0971% (0.28   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    ILE   19  17.84 +/- 0.44   0.000% *  0.0871% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE   19  21.53 +/- 0.66   0.000% *  0.2259% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 0.73, support = 5.87, residual support = 161.1:
          HG12  ILE   19 - HN    ILE   19   3.67 +/- 0.36  73.791% * 78.7805% (0.73   6.14 170.43) =  94.372%  kept
          HG    LEU   73 - HN    ILE   19   4.96 +/- 0.59  18.376% * 18.8304% (0.80   1.33   5.23) =   5.617%  kept
          HB3   LYS+  74 - HN    ILE   19   5.54 +/- 0.35   6.927% *  0.0619% (0.18   0.02   8.15) =   0.007%
          QB    ALA   61 - HN    ILE   19   9.07 +/- 0.44   0.335% *  0.3413% (0.97   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    ILE   19  10.11 +/- 0.69   0.187% *  0.3536% (1.00   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    ILE   19  10.94 +/- 1.18   0.130% *  0.1092% (0.31   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ILE   19  12.99 +/- 0.48   0.038% *  0.3345% (0.95   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE   19  13.64 +/- 1.03   0.035% *  0.2954% (0.84   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ILE   19  11.26 +/- 1.23   0.129% *  0.0787% (0.22   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ILE   19  15.23 +/- 0.43   0.015% *  0.2832% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE   19  14.09 +/- 0.28   0.023% *  0.1092% (0.31   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ILE   19  16.47 +/- 0.83   0.009% *  0.1092% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE   19  20.34 +/- 0.81   0.003% *  0.2429% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ILE   19  19.46 +/- 0.79   0.003% *  0.0700% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1189 (1.24, 8.93, 131.32 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.82, residual support = 170.4:
          HG13  ILE   19 - HN    ILE   19   3.53 +/- 0.27  91.369% * 97.9679% (0.97   5.82 170.43) =  99.970%  kept
          HG    LEU   71 - HN    ILE   19   6.43 +/- 1.21   6.105% *  0.3421% (0.98   0.02   0.02) =   0.023%
          HG2   LYS+  74 - HN    ILE   19   7.59 +/- 0.61   1.396% *  0.3459% (0.99   0.02   8.15) =   0.005%
          QG2   THR   39 - HN    ILE   19   9.49 +/- 0.89   0.286% *  0.2397% (0.69   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    ILE   19   8.13 +/- 0.38   0.691% *  0.0472% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ILE   19  11.28 +/- 0.51   0.098% *  0.0870% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   19  15.33 +/- 1.46   0.017% *  0.3482% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   19  17.19 +/- 1.87   0.023% *  0.1435% (0.41   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ILE   19  16.13 +/- 0.44   0.011% *  0.2397% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    ILE   19  19.59 +/- 0.59   0.003% *  0.1310% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   19  22.18 +/- 0.38   0.002% *  0.1077% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1190 (0.84, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 4.84, residual support = 22.4:
          QG1   VAL   18 - HN    ILE   19   2.54 +/- 0.25  97.589% * 96.3877% (0.34   4.84  22.37) =  99.980%  kept
          QD1   LEU   71 - HN    ILE   19   5.62 +/- 1.15   2.360% *  0.8015% (0.69   0.02   0.02) =   0.020%
          QG1   VAL   70 - HN    ILE   19   9.30 +/- 0.22   0.045% *  0.5231% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  123 - HN    ILE   19  14.36 +/- 0.59   0.003% *  0.8015% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    ILE   19  16.53 +/- 0.45   0.001% *  1.1261% (0.97   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    ILE   19  15.99 +/- 0.68   0.002% *  0.3601% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.766, support = 4.56, residual support = 58.7:
          QG2   VAL   18 - HN    ILE   19   4.10 +/- 0.20  21.594% * 57.3904% (0.97   4.83  22.37) =  61.224%  kept
          QD1   ILE   19 - HN    ILE   19   4.36 +/- 0.08  13.989% * 37.6309% (0.57   5.40 170.43) =  26.006%  kept
          QD2   LEU   73 - HN    ILE   19   3.41 +/- 0.79  62.830% *  4.1084% (0.22   1.50   5.23) =  12.752%  kept
          QG1   VAL   43 - HN    ILE   19   6.78 +/- 0.64   1.099% *  0.2439% (0.99   0.02   0.02) =   0.013%
          QG2   THR   46 - HN    ILE   19   8.95 +/- 0.39   0.218% *  0.2207% (0.90   0.02   0.02) =   0.002%
          QG1   VAL   41 - HN    ILE   19   8.94 +/- 0.34   0.200% *  0.2207% (0.90   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    ILE   19  10.87 +/- 0.39   0.062% *  0.0839% (0.34   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ILE   19  14.82 +/- 0.35   0.009% *  0.1012% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1192 (1.43, 8.71, 131.46 ppm):
    14 chemical-shift based assignments, quality = 0.694, support = 4.22, residual support = 24.4:
          HG12  ILE   19 - HN    ALA   20   4.46 +/- 0.53  55.441% * 88.7236% (0.73   4.39  25.43) =  94.235%  kept
          HB3   LYS+  74 - HN    ALA   20   4.68 +/- 0.26  41.799% *  7.1698% (0.18   1.47   8.15) =   5.741%  kept
          HG    LEU   73 - HN    ALA   20   8.03 +/- 0.53   1.971% *  0.4455% (0.80   0.02   0.02) =   0.017%
          QB    ALA   61 - HN    ALA   20  10.41 +/- 0.60   0.351% *  0.5369% (0.97   0.02   0.02) =   0.004%
          HG    LEU   80 - HN    ALA   20  12.39 +/- 1.02   0.142% *  0.4647% (0.84   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ALA   20  14.53 +/- 0.73   0.050% *  0.5564% (1.00   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    ALA   20  12.68 +/- 0.30   0.104% *  0.1717% (0.31   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA   20  16.16 +/- 0.62   0.024% *  0.5263% (0.95   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   20  16.25 +/- 0.50   0.024% *  0.4455% (0.80   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   20  15.36 +/- 1.20   0.036% *  0.1717% (0.31   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   20  15.56 +/- 1.44   0.044% *  0.1239% (0.22   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   20  19.24 +/- 0.83   0.009% *  0.1717% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   20  23.96 +/- 0.78   0.002% *  0.3822% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   20  23.47 +/- 0.80   0.003% *  0.1101% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.75 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 = 0.212, support = 2.68, residual support = 9.47:
          HB3   LYS+  74 - HN    CYS   21   3.30 +/- 0.22  88.063% * 12.8723% (0.18   2.75  10.03) =  92.655%  kept
          HG    LEU   73 - HN    CYS   21   6.87 +/- 0.21   1.142% * 35.5960% (0.80   1.66   5.20) =   3.323%  kept
          HG12  ILE   19 - HN    CYS   21   7.20 +/- 0.16   0.882% * 44.4297% (0.73   2.29   0.16) =   3.203%  kept
          HB3   LEU  115 - HN    ILE  119   5.58 +/- 0.32   4.220% *  2.2419% (0.10   0.86  11.63) =   0.773%
          HG    LEU   80 - HN    CYS   21   8.40 +/- 1.08   0.544% *  0.4461% (0.84   0.02   0.02) =   0.020%
          HD3   LYS+ 121 - HN    ILE  119   6.29 +/- 1.29   4.084% *  0.0334% (0.06   0.02   0.71) =   0.011%
          QG    LYS+  66 - HN    ILE  119   8.59 +/- 0.65   0.323% *  0.1596% (0.30   0.02   0.02) =   0.004%
          HB2   LEU   80 - HN    CYS   21   8.61 +/- 0.30   0.311% *  0.1648% (0.31   0.02   0.02) =   0.004%
          QB    ALA   61 - HN    CYS   21  11.34 +/- 0.41   0.057% *  0.5154% (0.97   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    ILE  119  10.72 +/- 0.25   0.078% *  0.1629% (0.30   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ILE  119  10.70 +/- 0.28   0.081% *  0.1351% (0.25   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ILE  119  12.32 +/- 0.63   0.035% *  0.1688% (0.32   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    CYS   21  14.41 +/- 0.41   0.014% *  0.4276% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    CYS   21  15.52 +/- 0.63   0.009% *  0.5341% (1.00   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ILE  119  11.29 +/- 1.78   0.084% *  0.0376% (0.07   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  17.31 +/- 0.57   0.005% *  0.5052% (0.95   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  14.86 +/- 1.14   0.012% *  0.1648% (0.31   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE  119  12.74 +/- 0.82   0.031% *  0.0521% (0.10   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  16.49 +/- 1.06   0.007% *  0.1189% (0.22   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  17.85 +/- 0.82   0.004% *  0.1648% (0.31   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  17.53 +/- 0.37   0.004% *  0.1351% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  22.12 +/- 0.84   0.001% *  0.3669% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  19.90 +/- 1.50   0.003% *  0.1159% (0.22   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE  119  21.07 +/- 0.54   0.001% *  0.1225% (0.23   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    CYS   21  22.23 +/- 0.92   0.001% *  0.1057% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  119  18.39 +/- 0.48   0.003% *  0.0296% (0.06   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE  119  24.68 +/- 1.17   0.001% *  0.1410% (0.26   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE  119  24.52 +/- 0.50   0.001% *  0.0521% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1194 (2.19, 7.45, 112.50 ppm):
    7 chemical-shift based assignments, quality = 0.485, support = 3.17, residual support = 84.0:
      O   QG    GLN   17 - HE21  GLN   17   2.22 +/- 0.11  99.995% * 97.5020% (0.48   3.17  84.03) = 100.000%  kept
          HB    VAL   70 - HE21  GLN   17  12.67 +/- 0.97   0.004% *  0.5434% (0.43   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HE21  GLN   17  20.05 +/- 1.81   0.000% *  0.7173% (0.57   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HE21  GLN   17  21.62 +/- 2.31   0.000% *  0.6505% (0.51   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HE21  GLN   17  18.77 +/- 2.04   0.000% *  0.2491% (0.20   0.02   0.02) =   0.000%
          HB2   MET   96 - HE21  GLN   17  18.48 +/- 0.95   0.000% *  0.1994% (0.16   0.02   0.02) =   0.000%
          HB2   GLN   90 - HE21  GLN   17  26.18 +/- 2.07   0.000% *  0.1382% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 5.63, residual support = 51.0:
        T HN    VAL   18 - HN    GLN   17   4.41 +/- 0.00  99.360% * 99.6653% (0.73   5.63  51.04) =  99.998%  kept
          HN    SER   13 - HN    GLN   17  10.28 +/- 0.44   0.640% *  0.3347% (0.69   0.02   0.02) =   0.002%
    Distance limit 4.27 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1196 (7.68, 8.27, 122.56 ppm):
    3 chemical-shift based assignments, quality = 0.891, support = 5.63, residual support = 51.0:
        T HN    GLN   17 - HN    VAL   18   4.41 +/- 0.00  99.814% * 99.2410% (0.89   5.63  51.04) =  99.999%  kept
          HD21  ASN   69 - HN    VAL   18  12.75 +/- 0.74   0.182% *  0.3808% (0.96   0.02   0.02) =   0.001%
          HN    TRP   87 - HN    VAL   18  23.78 +/- 0.40   0.004% *  0.3782% (0.96   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1197 (8.46, 8.93, 131.32 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.85, residual support = 8.15:
        T HN    LYS+  74 - HN    ILE   19   4.25 +/- 0.15  99.696% * 97.3553% (0.41   3.85   8.15) =  99.997%  kept
          HN    THR   46 - HN    ILE   19  11.51 +/- 0.35   0.258% *  1.0263% (0.84   0.02   0.02) =   0.003%
          HN    MET   92 - HN    ILE   19  17.46 +/- 1.78   0.025% *  1.1857% (0.97   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE   19  19.82 +/- 2.34   0.016% *  0.1896% (0.15   0.02   0.02) =   0.000%
          HN    ASP- 113 - HN    ILE   19  22.42 +/- 0.42   0.005% *  0.2431% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1198 (8.11, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.842, support = 2.84, residual support = 3.0:
          HN    THR   26 - HN    VAL   24   4.40 +/- 0.07  80.332% * 86.0099% (0.87   2.88   2.74) =  96.274%  kept
          HN    LEU   80 - HN    VAL   24   5.61 +/- 0.29  19.606% * 13.6382% (0.20   2.00   9.64) =   3.726%  kept
          HN    ALA   34 - HN    VAL   24  14.80 +/- 0.25   0.056% *  0.0933% (0.14   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    VAL   24  21.59 +/- 0.69   0.006% *  0.2586% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1199 (7.33, 9.21, 123.27 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 4.47, residual support = 25.5:
          HN    THR   23 - HN    VAL   24   4.38 +/- 0.08  95.438% * 98.2763% (0.98   4.47  25.53) =  99.988%  kept
          HE3   TRP   27 - HN    VAL   24   7.86 +/- 0.13   2.891% *  0.3429% (0.76   0.02  22.86) =   0.011%
          HD2   HIS   22 - HN    VAL   24   8.66 +/- 0.18   1.619% *  0.0999% (0.22   0.02   0.02) =   0.002%
          QE    PHE   95 - HN    VAL   24  18.40 +/- 0.66   0.018% *  0.4448% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    VAL   24  17.67 +/- 2.05   0.028% *  0.1531% (0.34   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    VAL   24  24.14 +/- 0.76   0.003% *  0.3748% (0.84   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    VAL   24  24.40 +/- 0.40   0.003% *  0.3082% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1200 (10.58, 10.20, 129.00 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HE1   TRP   87 - HE1   TRP   27   7.79 +/- 0.96 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 4.05 A violated in 20 structures by 3.74 A, eliminated.
    Peak unassigned.
 
    Peak 1202 (8.08, 8.36, 120.50 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.81, residual support = 17.9:
        T HN    ALA   34 - HN    ASN   35   2.55 +/- 0.07  97.103% * 98.7451% (0.98   3.81  17.92) =  99.992%  kept
          HN    GLN   32 - HN    ASN   35   4.59 +/- 0.10   2.896% *  0.2782% (0.53   0.02   7.90) =   0.008%
        T HN    LEU   80 - HN    ASN   35  18.95 +/- 0.35   0.001% *  0.4881% (0.92   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    ASN   35  27.20 +/- 0.54   0.000% *  0.3839% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HN    ASN   35  21.99 +/- 0.43   0.000% *  0.1046% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1203 (7.91, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.97, residual support = 19.4:
        T HN    SER   37 - HN    GLU-  36   2.53 +/- 0.11  99.998% * 98.8477% (0.98   3.97  19.44) = 100.000%  kept
          HN    CYS   21 - HN    GLU-  36  16.35 +/- 0.18   0.001% *  0.2087% (0.41   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    GLU-  36  25.15 +/- 0.85   0.000% *  0.5032% (0.99   0.02   0.02) =   0.000%
          HN    ILE  119 - HN    GLU-  36  25.01 +/- 0.58   0.000% *  0.4404% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 5.63, residual support = 30.3:
        T HN    LYS+  38 - HN    THR   39   2.88 +/- 0.24  99.955% * 99.5368% (1.00   5.63  30.30) = 100.000%  kept
          HN    LEU   31 - HN    THR   39  10.97 +/- 0.40   0.043% *  0.0986% (0.28   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    THR   39  19.89 +/- 0.67   0.001% *  0.1210% (0.34   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    THR   39  28.25 +/- 0.68   0.000% *  0.2436% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 1 structures by 0.02 A, kept.
 
    Peak 1205 (9.33, 9.16, 125.94 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 4.0, residual support = 16.4:
          HN    MET   96 - HN    VAL   43   2.70 +/- 0.14  99.876% * 99.8546% (0.76   4.00  16.41) = 100.000%  kept
          HN    PHE   72 - HN    VAL   43   8.30 +/- 0.18   0.124% *  0.1454% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1206 (8.97, 8.78, 123.55 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 3.89, residual support = 7.16:
          HN    LEU   73 - HN    ASP-  44   4.11 +/- 0.11  95.371% * 98.1543% (0.38   3.89   7.16) =  99.974%  kept
          HN    VAL   42 - HN    ASP-  44   6.85 +/- 0.15   4.499% *  0.5045% (0.38   0.02   0.02) =   0.024%
          HN    LYS+ 106 - HN    ASP-  44  12.36 +/- 0.19   0.130% *  1.3412% (1.00   0.02   0.02) =   0.002%
    Distance limit 4.25 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1207 (8.97, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 5.59, residual support = 34.6:
          HN    VAL   42 - HN    VAL   43   4.40 +/- 0.11  59.817% * 72.6535% (0.38   6.38  40.49) =  80.436%  kept
          HN    LEU   73 - HN    VAL   43   4.73 +/- 0.23  39.515% * 26.7408% (0.38   2.35  10.58) =  19.557%  kept
          HN    LYS+ 106 - HN    VAL   43   9.32 +/- 0.18   0.668% *  0.6057% (1.00   0.02   0.02) =   0.007%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1208 (7.58, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.774, support = 0.0197, residual support = 0.0197:
          HN    LEU   63 - HN    ASP-  44  10.15 +/- 0.19  49.177% * 15.3753% (0.65   0.02   0.02) =  41.781%  kept
          HN    ILE   56 - HN    ASP-  44  11.31 +/- 0.36  26.024% * 18.1638% (0.76   0.02   0.02) =  26.120%  kept
          HN    LYS+ 111 - HN    ASP-  44  12.62 +/- 0.22  13.361% * 23.7147% (1.00   0.02   0.02) =  17.509%  kept
          HN    ALA   84 - HN    ASP-  44  13.30 +/- 0.33   9.895% * 23.7147% (1.00   0.02   0.02) =  12.966%  kept
          HE21  GLN   32 - HN    ASP-  44  18.31 +/- 1.12   1.544% * 19.0315% (0.80   0.02   0.02) =   1.624%
    Distance limit 4.25 A violated in 20 structures by 4.79 A, eliminated.
    Peak unassigned.
 
    Peak 1209 (7.26, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.41, support = 0.748, residual support = 2.91:
          QD    PHE   60 - HN    ASP-  44   4.50 +/- 0.13  95.834% * 85.8530% (0.41   0.75   2.92) =  99.756%  kept
          QE    PHE   59 - HN    ASP-  44   8.82 +/- 1.25   3.421% *  5.1407% (0.92   0.02   0.02) =   0.213%
          HN    PHE   59 - HN    ASP-  44  10.85 +/- 0.18   0.492% *  3.1528% (0.57   0.02   0.02) =   0.019%
          HN    LYS+  66 - HN    ASP-  44  12.86 +/- 0.19   0.178% *  4.9943% (0.90   0.02   0.02) =   0.011%
          HN    LYS+  81 - HN    ASP-  44  14.88 +/- 0.39   0.075% *  0.8592% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.53 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1210 (7.68, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.655, support = 0.0199, residual support = 0.0199:
          HN    GLN   17 - HN    ASP-  62  11.15 +/- 0.59  80.596% * 29.1578% (0.63   0.02   0.02) =  77.096%  kept
          HD21  ASN   69 - HN    ASP-  62  14.42 +/- 1.21  18.874% * 36.0114% (0.77   0.02   0.02) =  22.298%  kept
          HN    TRP   87 - HN    ASP-  62  25.89 +/- 0.24   0.530% * 34.8308% (0.75   0.02   0.02) =   0.606%
    Distance limit 3.43 A violated in 20 structures by 7.33 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   2.40 +/- 0.04  99.970% * 97.1725% (0.32   5.86  42.53) = 100.000%  kept
        T HN    ILE   56 - HN    ASP-  62   9.53 +/- 0.14   0.026% *  0.4298% (0.42   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    ASP-  62  13.18 +/- 0.44   0.004% *  0.7660% (0.75   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ASP-  62  23.52 +/- 0.37   0.000% *  0.7660% (0.75   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ASP-  62  26.72 +/- 0.66   0.000% *  0.8656% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 0.906, support = 0.0196, residual support = 0.0196:
          HN    PHE   45 - HN    LEU   73   8.17 +/- 0.18  98.261% * 48.0011% (0.92   0.02   0.02) =  98.118%  kept
          HN    ALA  110 - HN    LEU   73  16.14 +/- 0.71   1.739% * 51.9989% (1.00   0.02   0.02) =   1.882%
    Distance limit 4.01 A violated in 20 structures by 4.15 A, eliminated.
    Peak unassigned.
 
    Peak 1213 (8.51, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.431, support = 3.68, residual support = 18.9:
          HN    VAL   75 - HN    ASP-  76   4.40 +/- 0.11  66.604% * 48.7852% (0.28   4.64  26.93) =  65.764%  kept
          HN    ASP-  78 - HN    ASP-  76   4.95 +/- 0.13  33.386% * 50.6654% (0.73   1.85   3.59) =  34.236%  kept
          HN    LYS+ 112 - HN    ASP-  76  19.61 +/- 0.42   0.009% *  0.3391% (0.45   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ASP-  76  28.27 +/- 3.35   0.001% *  0.2103% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.60 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 = 5.35, residual support = 26.4:
        T HN    LYS+ 111 - HN    LYS+ 112   4.11 +/- 0.10  96.903% * 98.8447% (0.87   5.35  26.37) =  99.993%  kept
          HN    ILE   56 - HN    LYS+ 112   7.40 +/- 0.41   3.017% *  0.2075% (0.49   0.02   7.38) =   0.007%
          HN    LEU   63 - HN    LYS+ 112  13.55 +/- 0.34   0.076% *  0.1600% (0.38   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    LYS+ 112  23.36 +/- 0.44   0.003% *  0.3698% (0.87   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    LYS+ 112  32.95 +/- 1.23   0.000% *  0.4179% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 0.358, support = 0.0197, residual support = 0.0197:
          QD    PHE   55 - HN    GLN  116   7.58 +/- 0.36  86.340% * 11.5373% (0.28   0.02   0.02) =  75.516%  kept
          QD    PHE   60 - HN    GLN  116  10.72 +/- 0.38  11.215% * 26.8436% (0.65   0.02   0.02) =  22.823%  kept
          HN    LYS+  66 - HN    GLN  116  13.98 +/- 0.50   2.278% *  8.2119% (0.20   0.02   0.02) =   1.418%
          HE3   TRP   27 - HN    GLN  116  22.39 +/- 0.55   0.134% * 14.1544% (0.34   0.02   0.02) =   0.144%
          HN    LYS+  81 - HN    GLN  116  28.21 +/- 0.38   0.033% * 39.2529% (0.95   0.02   0.02) =   0.099%
    Distance limit 4.32 A violated in 20 structures by 3.10 A, eliminated.
    Peak unassigned.
 
    Peak 1216 (3.69, 7.43, 118.69 ppm):
    7 chemical-shift based assignments, quality = 0.782, support = 4.84, residual support = 41.9:
      O   HA    ILE  119 - HN    ALA  120   3.63 +/- 0.01  79.616% * 59.8688% (0.80   4.99  48.87) =  85.594%  kept
          HA    THR  118 - HN    ALA  120   4.57 +/- 0.14  20.330% * 39.4595% (0.67   3.93   0.56) =  14.406%  kept
          HD3   PRO   58 - HN    ALA  120  12.82 +/- 0.27   0.042% *  0.0548% (0.18   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA  120  16.16 +/- 0.23   0.010% *  0.1138% (0.38   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  120  22.29 +/- 0.31   0.001% *  0.1138% (0.38   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  120  27.75 +/- 0.48   0.000% *  0.2216% (0.74   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  120  27.48 +/- 0.23   0.000% *  0.1678% (0.56   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (4.24, 7.43, 118.69 ppm):
    5 chemical-shift based assignments, quality = 0.921, support = 1.01, residual support = 5.15:
          HA    SER  117 - HN    ALA  120   3.56 +/- 0.05  99.880% * 96.4181% (0.92   1.01   5.15) =  99.999%  kept
          HA    ASP-  62 - HN    ALA  120  11.37 +/- 0.50   0.099% *  1.0042% (0.49   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    ALA  120  14.82 +/- 0.26   0.020% *  0.7847% (0.38   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA  120  29.39 +/- 0.35   0.000% *  1.4587% (0.71   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA  120  23.16 +/- 0.58   0.001% *  0.3343% (0.16   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 3.81, residual support = 115.5:
      O   HG3   GLN  116 - HE21  GLN  116   3.43 +/- 0.09  99.995% * 99.0607% (0.69   3.81 115.52) = 100.000%  kept
          HG3   MET   96 - HE21  GLN  116  18.41 +/- 0.53   0.004% *  0.1686% (0.22   0.02   0.02) =   0.000%
          HB3   TRP   87 - HE21  GLN  116  27.02 +/- 0.63   0.000% *  0.4593% (0.61   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HE21  GLN  116  30.69 +/- 1.77   0.000% *  0.3113% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.61 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 = 0.547, support = 3.66, residual support = 90.6:
          HG    LEU  115 - HE21  GLN  116   5.10 +/- 0.89  60.680% * 24.2480% (0.41   3.58  95.33) =  69.525%  kept
          HB3   LEU  115 - HE21  GLN  116   6.88 +/- 0.46   7.700% * 70.0091% (0.95   4.49  95.33) =  25.472%  kept
          QB    ALA  120 - HE21  GLN  116   6.07 +/- 0.96  27.292% *  3.8511% (0.41   0.57   0.02) =   4.967%  kept
          QG    LYS+  66 - HE21  GLN  116   8.59 +/- 0.88   2.378% *  0.2265% (0.69   0.02   0.02) =   0.025%
          QB    ALA   61 - HE21  GLN  116   9.73 +/- 0.96   1.047% *  0.1125% (0.34   0.02   0.02) =   0.006%
          HG    LEU   67 - HE21  GLN  116  13.83 +/- 1.72   0.146% *  0.2860% (0.87   0.02   0.02) =   0.002%
          QB    ALA  110 - HE21  GLN  116  10.57 +/- 0.78   0.616% *  0.0577% (0.18   0.02   0.02) =   0.002%
          HB3   LEU   67 - HE21  GLN  116  14.96 +/- 0.79   0.070% *  0.1605% (0.49   0.02   0.02) =   0.001%
          HG    LEU   40 - HE21  GLN  116  16.92 +/- 0.92   0.034% *  0.3119% (0.95   0.02   0.02) =   0.001%
          HG    LEU   73 - HE21  GLN  116  20.55 +/- 0.75   0.010% *  0.2860% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE21  GLN  116  18.27 +/- 1.02   0.021% *  0.0734% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE21  GLN  116  25.01 +/- 1.68   0.004% *  0.3119% (0.95   0.02   0.02) =   0.000%
          HG    LEU   80 - HE21  GLN  116  27.19 +/- 1.23   0.002% *  0.0653% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1220 (2.02, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.501, support = 1.2, residual support = 0.699:
          QB    GLU- 114 - HN    SER  117   4.83 +/- 0.10  52.191% * 60.9155% (0.61   1.11   0.80) =  74.396%  kept
          HB    ILE  119 - HN    SER  117   5.06 +/- 0.24  39.907% * 27.0601% (0.20   1.51   0.41) =  25.270%  kept
          HB2   LYS+ 111 - HN    SER  117   6.70 +/- 0.38   7.857% *  1.8119% (1.00   0.02   0.02) =   0.333%
          HB3   PRO   68 - HN    SER  117  20.71 +/- 0.57   0.009% *  1.5168% (0.84   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    SER  117  21.84 +/- 0.75   0.006% *  1.8119% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    SER  117  19.74 +/- 0.52   0.012% *  0.8141% (0.45   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    SER  117  22.71 +/- 0.71   0.005% *  1.8119% (1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    SER  117  22.43 +/- 0.34   0.005% *  0.9554% (0.53   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    SER  117  26.39 +/- 0.75   0.002% *  0.8141% (0.45   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    SER  117  24.04 +/- 0.42   0.003% *  0.4528% (0.25   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    SER  117  24.69 +/- 0.56   0.003% *  0.3594% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    SER  117  33.25 +/- 0.42   0.000% *  1.6763% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.64 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 = 0.866, support = 2.22, residual support = 2.59:
          HG    LEU  115 - HN    SER  117   5.23 +/- 0.70  42.999% * 35.0232% (0.84   2.26   2.05) =  47.663%  kept
          HB3   LEU  115 - HN    SER  117   5.68 +/- 0.29  23.595% * 46.8303% (0.92   2.74   2.05) =  34.971%  kept
          QB    ALA  120 - HN    SER  117   5.36 +/- 0.17  32.891% * 16.6799% (0.84   1.08   5.15) =  17.364%  kept
          QG    LYS+  66 - HN    SER  117  11.67 +/- 0.69   0.304% *  0.1031% (0.28   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    SER  117  15.09 +/- 1.74   0.075% *  0.3633% (0.98   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    SER  117  16.02 +/- 0.77   0.047% *  0.3422% (0.92   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    SER  117  17.38 +/- 0.53   0.028% *  0.2248% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    SER  117  16.12 +/- 0.62   0.043% *  0.0572% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    SER  117  21.82 +/- 1.66   0.009% *  0.2098% (0.57   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    SER  117  20.36 +/- 0.36   0.011% *  0.1662% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1222 (2.99, 9.38, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.47, residual support = 17.8:
          HB2   PHE   97 - HN    LEU  104   3.53 +/- 0.25  96.402% * 98.3669% (1.00   3.47  17.84) =  99.987%  kept
          QE    LYS+ 106 - HN    LEU  104   6.84 +/- 0.58   2.129% *  0.4346% (0.76   0.02   0.02) =   0.010%
          QE    LYS+  99 - HN    LEU  104   7.35 +/- 0.54   1.402% *  0.2134% (0.38   0.02  19.31) =   0.003%
          HB3   PHE   60 - HN    LEU  104  15.15 +/- 0.55   0.017% *  0.3219% (0.57   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU  104  17.23 +/- 0.60   0.008% *  0.5636% (0.99   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU  104  13.15 +/- 0.67   0.042% *  0.0996% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1223 (1.83, 9.38, 128.74 ppm):
    9 chemical-shift based assignments, quality = 0.939, support = 5.47, residual support = 35.9:
          HG12  ILE  103 - HN    LEU  104   4.30 +/- 0.38  73.469% * 83.4679% (0.97   5.66  37.92) =  94.601%  kept
          QB    LYS+ 102 - HN    LEU  104   5.26 +/- 0.25  23.222% * 15.0307% (0.49   2.02   0.21) =   5.384%  kept
          HB    VAL   41 - HN    LEU  104   8.13 +/- 1.11   2.964% *  0.3054% (1.00   0.02   0.02) =   0.014%
          QB    LYS+  66 - HN    LEU  104  13.40 +/- 0.48   0.083% *  0.2889% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LEU  104  11.84 +/- 0.33   0.181% *  0.1042% (0.34   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU  104  15.06 +/- 0.60   0.042% *  0.2334% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU  104  18.43 +/- 0.27   0.012% *  0.2217% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU  104  16.88 +/- 0.31   0.021% *  0.1146% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  104  21.74 +/- 1.04   0.005% *  0.2334% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.41, 8.62, 122.05 ppm):
    11 chemical-shift based assignments, quality = 0.607, support = 1.85, residual support = 27.7:
          QB    LEU   98 - HN    ILE  103   3.89 +/- 0.30  99.814% * 89.2783% (0.61   1.85  27.71) =  99.997%  kept
          HD3   LYS+ 121 - HN    ILE  103  12.66 +/- 1.07   0.110% *  1.4257% (0.90   0.02   0.02) =   0.002%
          QB    ALA  110 - HN    ILE  103  17.67 +/- 0.30   0.012% *  1.2729% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ILE  103  16.11 +/- 0.55   0.021% *  0.6535% (0.41   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE  103  19.01 +/- 1.37   0.009% *  1.2149% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE  103  19.74 +/- 0.89   0.006% *  1.5582% (0.98   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  103  19.92 +/- 0.42   0.006% *  1.3789% (0.87   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE  103  20.25 +/- 0.62   0.005% *  1.3789% (0.87   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ILE  103  19.29 +/- 0.30   0.007% *  0.9000% (0.57   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ILE  103  19.15 +/- 0.54   0.008% *  0.3964% (0.25   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ILE  103  26.03 +/- 2.00   0.001% *  0.5423% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1225 (0.73, 8.62, 122.05 ppm):
    7 chemical-shift based assignments, quality = 0.803, support = 5.29, residual support = 35.0:
          QD2   LEU  104 - HN    ILE  103   4.62 +/- 0.20  36.154% * 80.2100% (1.00   5.66  37.92) =  71.462%  kept
          QD1   LEU   98 - HN    ILE  103   4.17 +/- 0.71  60.913% * 19.0089% (0.31   4.35  27.71) =  28.533%  kept
          QG1   VAL   41 - HN    ILE  103   7.48 +/- 0.46   2.229% *  0.0561% (0.20   0.02   0.02) =   0.003%
          QG1   VAL   43 - HN    ILE  103   9.13 +/- 0.52   0.662% *  0.0966% (0.34   0.02   0.02) =   0.002%
          QD1   ILE   19 - HN    ILE  103  17.38 +/- 0.47   0.013% *  0.2734% (0.97   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    ILE  103  17.23 +/- 0.31   0.013% *  0.1946% (0.69   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    ILE  103  16.88 +/- 0.71   0.015% *  0.1604% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1226 (0.58, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.411, support = 6.85, residual support = 216.1:
          QD1   LEU  104 - HN    LEU  104   4.07 +/- 0.03  95.590% * 97.1116% (0.41   6.85 216.13) =  99.984%  kept
          QD1   LEU   63 - HN    LEU  104   8.98 +/- 0.34   0.858% *  0.6656% (0.97   0.02   0.02) =   0.006%
          QD2   LEU   63 - HN    LEU  104   9.39 +/- 0.52   0.675% *  0.5008% (0.73   0.02   0.02) =   0.004%
          QG2   VAL   41 - HN    LEU  104   7.63 +/- 0.49   2.430% *  0.1365% (0.20   0.02   0.02) =   0.004%
          QD1   LEU   73 - HN    LEU  104  10.62 +/- 0.38   0.313% *  0.6656% (0.97   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    LEU  104  12.81 +/- 0.49   0.102% *  0.4737% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU  104  15.60 +/- 0.50   0.031% *  0.4462% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.58 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 = 0.668, support = 4.18, residual support = 14.6:
          QD1   LEU   98 - HN    ASP- 105   4.78 +/- 0.61  42.372% * 70.4124% (0.95   2.88   5.44) =  63.883%  kept
          QD2   LEU  104 - HN    ASP- 105   4.46 +/- 0.07  57.579% * 29.2952% (0.18   6.48  30.77) =  36.117%  kept
          QG2   ILE   19 - HN    ASP- 105  14.63 +/- 0.47   0.048% *  0.2924% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.68 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 = 4.03, residual support = 131.1:
          HG3   LYS+ 106 - HN    LYS+ 106   3.87 +/- 0.37  85.478% * 95.5419% (0.90   4.03 131.09) =  99.981%  kept
          HD3   LYS+ 121 - HN    LYS+ 106   6.11 +/- 1.27  12.841% *  0.0926% (0.18   0.02   0.02) =   0.015%
          QB    LEU   98 - HN    LYS+ 106   8.84 +/- 0.33   0.679% *  0.2175% (0.41   0.02   0.02) =   0.002%
          HB    VAL   42 - HN    LYS+ 106  10.89 +/- 0.55   0.201% *  0.5278% (1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LYS+ 106   9.70 +/- 0.99   0.459% *  0.1178% (0.22   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    LYS+ 106  12.99 +/- 0.84   0.073% *  0.5243% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+ 106  14.98 +/- 0.20   0.028% *  0.5105% (0.97   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+ 106  12.80 +/- 0.21   0.071% *  0.1804% (0.34   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+ 106  11.79 +/- 0.80   0.127% *  0.0816% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 106  16.47 +/- 0.33   0.016% *  0.5278% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 106  19.75 +/- 0.41   0.005% *  0.5278% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 106  21.31 +/- 0.91   0.004% *  0.5185% (0.98   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+ 106  17.99 +/- 0.25   0.009% *  0.1633% (0.31   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 106  18.09 +/- 0.39   0.009% *  0.1047% (0.20   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 106  26.39 +/- 1.54   0.001% *  0.3634% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.65 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 = 19.9:
          QG1   VAL  107 - HN    LYS+ 106   4.02 +/- 0.20  99.705% * 97.0448% (0.53   2.85  19.87) =  99.998%  kept
          HG    LEU   63 - HN    LYS+ 106  11.35 +/- 0.35   0.205% *  0.9415% (0.73   0.02   0.02) =   0.002%
          HG3   LYS+ 112 - HN    LYS+ 106  15.21 +/- 0.69   0.036% *  0.4002% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LYS+ 106  19.48 +/- 0.94   0.008% *  1.1247% (0.87   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LYS+ 106  15.50 +/- 0.69   0.034% *  0.2001% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    LYS+ 106  18.56 +/- 1.20   0.012% *  0.2887% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1230 (0.90, 9.14, 128.89 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.2, residual support = 60.5:
          QG1   VAL  108 - HN    VAL  108   3.69 +/- 0.02  99.870% * 99.3901% (0.98   4.20  60.50) = 100.000%  kept
          QD1   LEU   40 - HN    VAL  108  12.62 +/- 0.40   0.063% *  0.2352% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    VAL  108  13.54 +/- 0.36   0.041% *  0.2542% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    VAL  108  14.91 +/- 1.25   0.025% *  0.1205% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.39 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 = 2.98, residual support = 7.85:
          QG2   ILE   89 - HN    ALA   91   3.42 +/- 0.15  98.397% * 99.4075% (1.00   2.98   7.85) =  99.999%  kept
          QG1   VAL   83 - HN    ALA   91  10.31 +/- 0.80   0.174% *  0.3510% (0.53   0.02   0.02) =   0.001%
          QG1   VAL   83 - HN    TRP   27   7.06 +/- 0.48   1.374% *  0.0434% (0.07   0.02   0.02) =   0.001%
          QG2   ILE   89 - HN    TRP   27  12.32 +/- 0.71   0.048% *  0.0824% (0.12   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  20.96 +/- 0.93   0.002% *  0.1029% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  17.78 +/- 0.47   0.005% *  0.0127% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1232 (1.26, 10.11, 128.03 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 5.33, residual support = 40.1:
          HG3   LYS+  99 - HN    GLU- 100   3.36 +/- 0.29  83.013% * 94.9860% (0.45   5.34  40.14) =  99.849%  kept
          QG2   THR   39 - HN    GLU- 100   5.90 +/- 0.81   6.739% *  0.7511% (0.95   0.02   0.02) =   0.064%
          HG3   LYS+  38 - HN    GLU- 100   6.15 +/- 1.26   4.498% *  0.7870% (0.99   0.02   0.02) =   0.045%
          QB    ALA   34 - HN    GLU- 100   5.46 +/- 0.56   5.655% *  0.5766% (0.73   0.02   0.02) =   0.041%
          HG    LEU   71 - HN    GLU- 100  11.03 +/- 0.92   0.077% *  0.2980% (0.38   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    GLU- 100  16.15 +/- 1.19   0.008% *  0.5137% (0.65   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU- 100  17.95 +/- 0.51   0.004% *  0.7121% (0.90   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    GLU- 100  22.11 +/- 1.52   0.001% *  0.7511% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    GLU- 100  19.72 +/- 0.76   0.002% *  0.3264% (0.41   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    GLU- 100  20.20 +/- 0.45   0.002% *  0.2980% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1233 (1.37, 7.29, 121.74 ppm):
    15 chemical-shift based assignments, quality = 0.566, support = 0.75, residual support = 4.93:
          QB    ALA   84 - HN    LYS+  81   4.04 +/- 0.10  99.861% * 70.7750% (0.57   0.75   4.93) =  99.995%  kept
          HB3   LEU   73 - HN    LYS+  81  13.70 +/- 0.48   0.068% *  3.0773% (0.92   0.02   0.02) =   0.003%
          HB3   PRO   93 - HN    LYS+  81  18.10 +/- 0.62   0.013% *  2.0219% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  81  20.24 +/- 1.50   0.007% *  2.6693% (0.80   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+  81  20.66 +/- 0.64   0.006% *  2.8917% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  81  21.55 +/- 1.15   0.004% *  3.3336% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LYS+  81  17.29 +/- 0.35   0.016% *  0.7422% (0.22   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  81  20.22 +/- 0.98   0.007% *  1.4946% (0.45   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  81  18.88 +/- 0.71   0.010% *  0.6597% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  81  25.71 +/- 0.56   0.002% *  2.8917% (0.87   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  81  27.13 +/- 0.59   0.001% *  3.2676% (0.98   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  81  25.01 +/- 2.68   0.002% *  1.3705% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  81  27.56 +/- 1.25   0.001% *  3.1535% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  81  23.16 +/- 0.49   0.003% *  0.5144% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  81  30.29 +/- 0.80   0.001% *  1.1371% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1234 (0.08, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.926, support = 5.65, residual support = 203.8:
          QD1   ILE   89 - HN    ILE   89   3.59 +/- 0.02  85.564% * 82.4250% (0.92   5.81 211.03) =  96.575%  kept
          QG2   VAL   83 - HN    ILE   89   4.87 +/- 0.28  14.406% * 17.3639% (1.00   1.13   0.14) =   3.425%  kept
          QD2   LEU   31 - HN    ILE   89  13.66 +/- 0.58   0.029% *  0.2111% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.409, support = 2.86, residual support = 11.3:
          QB    ALA   84 - HN    ILE   89   3.24 +/- 0.06  71.300% * 37.8857% (0.45   2.12  14.67) =  62.913%  kept
          QB    ALA   88 - HN    ILE   89   3.77 +/- 0.01  28.507% * 55.8526% (0.34   4.12   5.60) =  37.083%  kept
          HB3   LEU   80 - HN    ILE   89   9.08 +/- 0.70   0.173% *  0.7801% (0.98   0.02   0.02) =   0.003%
          HB3   ASP-  44 - HN    ILE   89  16.26 +/- 0.32   0.004% *  0.6647% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ILE   89  14.50 +/- 0.30   0.009% *  0.3272% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ILE   89  18.23 +/- 0.79   0.002% *  0.7940% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ILE   89  19.38 +/- 0.54   0.002% *  0.7801% (0.98   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ILE   89  18.96 +/- 1.25   0.002% *  0.4506% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ILE   89  22.70 +/- 0.38   0.001% *  0.7346% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ILE   89  26.60 +/- 0.71   0.000% *  0.6372% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ILE   89  28.05 +/- 0.85   0.000% *  0.5466% (0.69   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ILE   89  28.10 +/- 0.71   0.000% *  0.5466% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.731, support = 3.6, residual support = 34.1:
          QB    ALA   91 - HN    GLN   90   4.02 +/- 0.53  72.611% * 61.4770% (0.84   3.08  33.38) =  82.194%  kept
          HG12  ILE   89 - HN    GLN   90   4.84 +/- 0.03  27.106% * 35.6734% (0.25   5.99  37.52) =  17.805%  kept
          QG2   ILE   56 - HN    GLN   90  11.22 +/- 0.25   0.178% *  0.1793% (0.38   0.02   0.02) =   0.001%
          HG2   LYS+  74 - HN    GLN   90  13.33 +/- 0.84   0.067% *  0.4411% (0.92   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    GLN   90  15.76 +/- 0.54   0.023% *  0.0946% (0.20   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    GLN   90  22.27 +/- 0.45   0.003% *  0.4779% (1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    GLN   90  22.69 +/- 0.75   0.002% *  0.3991% (0.84   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    GLN   90  24.05 +/- 1.43   0.002% *  0.4286% (0.90   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    GLN   90  19.03 +/- 0.65   0.007% *  0.1064% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    GLN   90  26.74 +/- 0.92   0.001% *  0.4520% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    GLN   90  29.91 +/- 1.42   0.000% *  0.2705% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1237 (2.24, 7.39, 112.01 ppm):
    11 chemical-shift based assignments, quality = 0.341, support = 3.03, residual support = 95.2:
      O   QG    GLN   90 - HE21  GLN   90   2.20 +/- 0.09  99.892% * 90.6138% (0.34   3.03  95.25) =  99.998%  kept
          HG3   MET   92 - HE21  GLN   90   9.10 +/- 2.25   0.103% *  1.7529% (1.00   0.02   0.02) =   0.002%
          HB3   ASP-  76 - HE21  GLN   90  11.97 +/- 1.37   0.005% *  0.9924% (0.57   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HE21  GLN   90  18.01 +/- 1.18   0.000% *  0.3469% (0.20   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HE21  GLN   90  24.66 +/- 1.52   0.000% *  1.7182% (0.98   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HE21  GLN   90  25.03 +/- 1.20   0.000% *  1.4036% (0.80   0.02   0.02) =   0.000%
          HG12  ILE  119 - HE21  GLN   90  26.42 +/- 1.25   0.000% *  1.2041% (0.69   0.02   0.02) =   0.000%
          HB3   PHE   72 - HE21  GLN   90  23.98 +/- 1.46   0.000% *  0.4874% (0.28   0.02   0.02) =   0.000%
          QG    GLU-  14 - HE21  GLN   90  28.79 +/- 2.12   0.000% *  0.3903% (0.22   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HE21  GLN   90  33.15 +/- 1.17   0.000% *  0.8532% (0.49   0.02   0.02) =   0.000%
          QG    GLU-  15 - HE21  GLN   90  28.63 +/- 1.42   0.000% *  0.2372% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (2.15, 8.62, 127.39 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 5.68, residual support = 95.2:
      O   HB2   GLN   90 - HN    GLN   90   3.80 +/- 0.11  99.840% * 98.2336% (0.73   5.68  95.25) =  99.999%  kept
          HB3   GLU-  79 - HN    GLN   90  11.29 +/- 0.54   0.154% *  0.4667% (0.98   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    GLN   90  23.70 +/- 0.51   0.002% *  0.4270% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLN   90  23.02 +/- 0.80   0.002% *  0.2505% (0.53   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLN   90  25.94 +/- 0.72   0.001% *  0.4751% (1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   90  27.85 +/- 0.77   0.001% *  0.0735% (0.15   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   90  29.91 +/- 1.16   0.000% *  0.0735% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1239 (0.77, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.96, residual support = 32.0:
          QD2   LEU   73 - HN    PHE   72   3.61 +/- 0.49  86.125% * 98.4032% (0.87   4.96  31.98) =  99.968%  kept
          QG2   VAL   18 - HN    PHE   72   5.60 +/- 0.52   9.631% *  0.1560% (0.34   0.02   6.69) =   0.018%
          QG1   VAL   43 - HN    PHE   72   6.73 +/- 0.59   2.301% *  0.2588% (0.57   0.02   0.02) =   0.007%
          QG1   VAL   41 - HN    PHE   72   7.21 +/- 0.28   1.679% *  0.3494% (0.76   0.02   0.02) =   0.007%
          HG    LEU   31 - HN    PHE   72  11.40 +/- 0.83   0.109% *  0.4412% (0.97   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    PHE   72  11.06 +/- 0.38   0.129% *  0.1140% (0.25   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    PHE   72  14.47 +/- 0.28   0.026% *  0.2773% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1240 (0.40, 9.36, 127.59 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.57, residual support = 40.3:
          QB    ALA   64 - HN    PHE   72   4.51 +/- 0.28  99.954% * 99.8638% (1.00   2.57  40.29) = 100.000%  kept
          QB    ALA   47 - HN    PHE   72  16.41 +/- 0.24   0.046% *  0.1362% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.60 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1241 (2.00, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.707, support = 2.61, residual support = 8.15:
          HB    ILE   19 - HN    LYS+  74   4.63 +/- 0.12  97.336% * 95.9635% (0.71   2.61   8.15) =  99.987%  kept
          HB2   GLN   17 - HN    LYS+  74   8.94 +/- 0.42   1.968% *  0.4465% (0.43   0.02   0.02) =   0.009%
          QB    GLU-  15 - HN    LYS+  74  12.25 +/- 0.53   0.298% *  0.4465% (0.43   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    LYS+  74  13.61 +/- 0.23   0.153% *  0.5894% (0.57   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    LYS+  74  16.90 +/- 0.32   0.042% *  0.7215% (0.69   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    LYS+  74  18.23 +/- 0.61   0.028% *  0.7345% (0.71   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LYS+  74  16.37 +/- 0.46   0.051% *  0.2763% (0.27   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+  74  15.75 +/- 1.20   0.069% *  0.1835% (0.18   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LYS+  74  17.04 +/- 0.46   0.040% *  0.2511% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LYS+  74  20.14 +/- 0.60   0.015% *  0.3873% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1242 (0.60, 8.48, 121.30 ppm):
    7 chemical-shift based assignments, quality = 0.373, support = 5.6, residual support = 45.4:
          QD1   LEU   73 - HN    LYS+  74   4.60 +/- 0.08  91.732% * 97.2108% (0.37   5.60  45.45) =  99.952%  kept
          QD2   LEU   80 - HN    LYS+  74   7.37 +/- 0.26   5.507% *  0.5917% (0.64   0.02   0.02) =   0.037%
          QG1   VAL   83 - HN    LYS+  74   9.72 +/- 0.32   1.051% *  0.5042% (0.54   0.02   0.02) =   0.006%
          QD1   LEU   63 - HN    LYS+  74   9.96 +/- 0.44   0.935% *  0.3471% (0.37   0.02   0.02) =   0.004%
          QD2   LEU  115 - HN    LYS+  74  14.02 +/- 0.61   0.119% *  0.5723% (0.61   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LYS+  74  14.32 +/- 0.38   0.102% *  0.6583% (0.71   0.02   0.02) =   0.001%
          QG2   ILE   89 - HN    LYS+  74  10.88 +/- 0.56   0.555% *  0.1155% (0.12   0.02   0.02) =   0.001%
    Distance limit 4.60 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1243 (1.33, 8.52, 119.25 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 4.62, residual support = 28.0:
          QG2   THR   77 - HN    ASP-  78   4.07 +/- 0.10  72.744% * 92.0286% (0.34   4.62  28.02) =  99.890%  kept
          QB    ALA   84 - HN    ASP-  78   4.94 +/- 0.17  23.293% *  0.1802% (0.15   0.02   0.02) =   0.063%
          HB3   LEU   80 - HN    ASP-  78   6.86 +/- 0.39   3.483% *  0.8022% (0.69   0.02   0.64) =   0.042%
          QB    ALA   88 - HN    ASP-  78   9.94 +/- 0.25   0.349% *  0.8481% (0.73   0.02   0.02) =   0.004%
          HB3   ASP-  44 - HN    ASP-  78  12.31 +/- 0.11   0.096% *  0.5236% (0.45   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    ASP-  78  18.12 +/- 0.25   0.009% *  0.9755% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  78  19.23 +/- 0.46   0.007% *  1.0474% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ASP-  78  18.30 +/- 0.34   0.009% *  0.6612% (0.57   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ASP-  78  19.01 +/- 1.23   0.008% *  0.2600% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  78  25.98 +/- 0.47   0.001% *  1.1679% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  78  27.77 +/- 0.84   0.001% *  1.1448% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  78  26.54 +/- 0.46   0.001% *  0.3605% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (0.36, 8.52, 119.25 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 0.75, residual support = 0.75:
          QB    ALA   47 - HN    ASP-  78   3.85 +/- 0.66  99.904% * 94.7883% (0.92   0.75   0.75) =  99.997%  kept
          QG1   VAL   42 - HN    ASP-  78  13.61 +/- 0.33   0.085% *  2.6840% (0.98   0.02   0.02) =   0.002%
          HG2   LYS+ 112 - HN    ASP-  78  18.98 +/- 0.84   0.011% *  2.5277% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 2 structures by 0.10 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 1245 (4.26, 8.52, 119.25 ppm):
    10 chemical-shift based assignments, quality = 0.62, support = 4.26, residual support = 23.5:
          HB    THR   77 - HN    ASP-  78   4.11 +/- 0.10  73.629% * 37.4809% (0.45   4.62  28.02) =  63.791%  kept
          HA    GLU-  79 - HN    ASP-  78   4.90 +/- 0.05  25.764% * 60.7944% (0.92   3.64  15.47) =  36.206%  kept
          HA    SER   85 - HN    ASP-  78  10.52 +/- 0.25   0.268% *  0.1622% (0.45   0.02   0.02) =   0.001%
          HA1   GLY   51 - HN    ASP-  78  12.72 +/- 0.44   0.087% *  0.3611% (1.00   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    ASP-  78  12.96 +/- 0.38   0.077% *  0.3246% (0.90   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    ASP-  78  11.34 +/- 0.10   0.169% *  0.1358% (0.38   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ASP-  78  21.36 +/- 0.41   0.004% *  0.2049% (0.57   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP-  78  25.73 +/- 0.31   0.001% *  0.3493% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ASP-  78  25.94 +/- 0.25   0.001% *  0.0634% (0.18   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  78  31.88 +/- 2.87   0.000% *  0.1234% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1246 (4.83, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 37.1:
      O   HA    ASP-  78 - HN    ASP-  78   2.85 +/- 0.01  99.748% * 99.1977% (1.00   4.57  37.07) =  99.999%  kept
          HA    LEU   80 - HN    ASP-  78   8.04 +/- 0.07   0.197% *  0.2111% (0.49   0.02   0.64) =   0.000%
          HA    THR   23 - HN    ASP-  78  10.36 +/- 0.19   0.043% *  0.3762% (0.87   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP-  78  12.92 +/- 0.18   0.011% *  0.1480% (0.34   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ASP-  78  22.44 +/- 0.24   0.000% *  0.0669% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.995, support = 7.95, residual support = 215.1:
      O   HA    ILE  119 - HN    ILE  119   2.80 +/- 0.02  72.016% * 58.9153% (1.00   8.31 246.70) =  85.161%  kept
      O   HA    THR  118 - HN    ILE  119   3.52 +/- 0.03  18.263% * 40.4762% (0.97   5.92  34.05) =  14.837%  kept
          HA    VAL   75 - HN    CYS   21   3.94 +/- 0.17   9.705% *  0.0078% (0.06   0.02   2.50) =   0.002%
          HA2   GLY  109 - HN    ILE  119  13.57 +/- 0.25   0.006% *  0.1030% (0.73   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    CYS   21  13.20 +/- 0.24   0.007% *  0.0402% (0.28   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    CYS   21  17.32 +/- 0.56   0.001% *  0.0444% (0.31   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    CYS   21  19.20 +/- 0.42   0.001% *  0.0448% (0.32   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    CYS   21  18.70 +/- 0.38   0.001% *  0.0325% (0.23   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ILE  119  25.12 +/- 0.48   0.000% *  0.1405% (0.99   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ILE  119  24.89 +/- 0.25   0.000% *  0.1272% (0.90   0.02   0.02) =   0.000%
          HA    THR  118 - HN    CYS   21  20.89 +/- 0.30   0.000% *  0.0432% (0.30   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ILE  119  19.94 +/- 0.32   0.001% *  0.0248% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1249 (3.82, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.723, support = 5.2, residual support = 29.5:
          HB2   CYS   53 - HN    ARG+  54   3.05 +/- 0.27  91.904% * 98.0289% (0.72   5.20  29.47) =  99.980%  kept
          HD2   PRO   58 - HN    ARG+  54   5.74 +/- 0.29   2.301% *  0.4554% (0.87   0.02   0.02) =   0.012%
          HD3   PRO   52 - HN    ARG+  54   5.05 +/- 0.29   5.075% *  0.1372% (0.26   0.02   0.02) =   0.008%
          HD2   PRO   58 - HN    ASP-  62   7.00 +/- 0.11   0.693% *  0.0852% (0.16   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    ASP-  62  12.93 +/- 0.91   0.020% *  0.0705% (0.14   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ARG+  54  21.60 +/- 0.68   0.001% *  0.4280% (0.82   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  62  16.36 +/- 0.53   0.004% *  0.0257% (0.05   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ARG+  54  24.75 +/- 0.58   0.000% *  0.1683% (0.32   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  62  22.54 +/- 0.31   0.001% *  0.0771% (0.15   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ARG+  54  29.92 +/- 0.36   0.000% *  0.4121% (0.79   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  62  19.89 +/- 0.49   0.001% *  0.0315% (0.06   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ASP-  62  24.74 +/- 0.32   0.000% *  0.0801% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1250 (0.76, 7.72, 117.18 ppm):
    8 chemical-shift based assignments, quality = 0.927, support = 0.0197, residual support = 0.0197:
          QG2   VAL   18 - HN    ALA   61   4.82 +/- 0.47  91.371% * 17.9827% (0.95   0.02   0.02) =  92.767%  kept
          QG2   THR   46 - HN    ALA   61   7.79 +/- 0.54   6.124% * 16.4898% (0.87   0.02   0.02) =   5.701%  kept
          QG1   VAL   43 - HN    ALA   61  10.92 +/- 0.18   0.772% * 18.9678% (1.00   0.02   0.02) =   0.827%
          QD2   LEU   73 - HN    ALA   61  10.23 +/- 0.48   1.142% *  4.7402% (0.25   0.02   0.02) =   0.306%
          QG1   VAL   41 - HN    ALA   61  13.87 +/- 0.28   0.191% * 17.5485% (0.92   0.02   0.02) =   0.189%
          QD1   ILE   19 - HN    ALA   61  12.58 +/- 0.41   0.302% * 10.0016% (0.53   0.02   0.02) =   0.171%
          QD2   LEU  104 - HN    ALA   61  16.16 +/- 0.25   0.072% *  7.1347% (0.38   0.02   0.02) =   0.029%
          HG    LEU   31 - HN    ALA   61  19.09 +/- 0.74   0.026% *  7.1347% (0.38   0.02   0.02) =   0.011%
    Distance limit 4.62 A violated in 7 structures by 0.26 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1251 (2.15, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 4.39, residual support = 45.7:
          QB    GLU-  36 - HN    ASN   35   4.32 +/- 0.14  94.713% * 98.1766% (0.92   4.39  45.71) =  99.988%  kept
          HB2   LYS+  38 - HN    ASN   35   7.57 +/- 0.58   3.910% *  0.1348% (0.28   0.02   0.02) =   0.006%
          HB3   GLU-  29 - HN    ASN   35   9.39 +/- 0.25   0.926% *  0.4807% (0.99   0.02   0.02) =   0.005%
          HG3   GLU-  29 - HN    ASN   35  10.68 +/- 0.29   0.437% *  0.3522% (0.73   0.02   0.02) =   0.002%
          HB3   GLU-  79 - HN    ASN   35  19.16 +/- 0.44   0.013% *  0.4207% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   35  27.39 +/- 0.68   0.002% *  0.4350% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.82 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 = 45.6:
      O   QB    MET   11 - HN    MET   11   2.95 +/- 0.42  99.838% * 95.9228% (0.69   3.00  45.58) = 100.000%  kept
          QG    GLU-  14 - HN    MET   11  10.03 +/- 1.34   0.110% *  0.1436% (0.15   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   11  11.78 +/- 1.79   0.048% *  0.2321% (0.25   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    MET   11  21.79 +/- 4.79   0.003% *  0.8075% (0.87   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    MET   11  29.51 +/- 3.81   0.000% *  0.6760% (0.73   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    MET   11  27.40 +/- 4.34   0.001% *  0.1842% (0.20   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    MET   11  32.69 +/- 2.33   0.000% *  0.7455% (0.80   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    MET   11  26.87 +/- 2.57   0.000% *  0.1630% (0.18   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    MET   11  38.22 +/- 3.01   0.000% *  0.8075% (0.87   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    MET   11  38.70 +/- 3.19   0.000% *  0.3176% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 45.6:
          HG2   MET   11 - HN    MET   11   3.92 +/- 0.44  99.538% * 97.3782% (0.92   3.31  45.58) =  99.997%  kept
          HB2   GLU-  14 - HN    MET   11  10.89 +/- 1.73   0.396% *  0.6025% (0.95   0.02   0.02) =   0.002%
          HB2   PRO   68 - HN    MET   11  16.41 +/- 3.15   0.055% *  0.3100% (0.49   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    MET   11  21.02 +/- 3.61   0.009% *  0.1771% (0.28   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    MET   11  31.11 +/- 2.99   0.001% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    MET   11  30.06 +/- 3.87   0.001% *  0.1418% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    MET   11  37.26 +/- 3.15   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    MET   11  33.54 +/- 2.93   0.000% *  0.1418% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1254 (1.91, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 45.6:
          HG3   MET   11 - HN    MET   11   2.82 +/- 0.48  99.964% * 98.0255% (0.92   3.31  45.58) = 100.000%  kept
          HB3   GLU-  14 - HN    MET   11  11.50 +/- 1.51   0.033% *  0.4900% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   11  21.93 +/- 3.07   0.001% *  0.2187% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    MET   11  24.06 +/- 3.11   0.001% *  0.0989% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   11  25.29 +/- 3.97   0.001% *  0.1269% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   11  29.47 +/- 3.05   0.000% *  0.4404% (0.69   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    MET   11  30.88 +/- 2.56   0.000% *  0.2875% (0.45   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    MET   11  36.79 +/- 3.24   0.000% *  0.3121% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1255 (1.55, 8.48, 122.27 ppm):
    7 chemical-shift based assignments, quality = 0.89, support = 0.0187, residual support = 0.0187:
          HG2   LYS+  33 - HN    MET   11  18.90 +/- 3.37  70.005% * 22.9200% (1.00   0.02   0.02) =  81.027%  kept
          HD3   LYS+  74 - HN    MET   11  26.30 +/- 2.89  12.573% * 12.0587% (0.53   0.02   0.02) =   7.657%  kept
          QG    LYS+  81 - HN    MET   11  30.26 +/- 3.69   4.889% * 19.1444% (0.84   0.02   0.02) =   4.726%  kept
          HG    LEU  104 - HN    MET   11  29.03 +/- 3.13   5.585% *  8.6021% (0.38   0.02   0.02) =   2.426%
          HG2   LYS+ 106 - HN    MET   11  33.76 +/- 2.67   2.192% * 17.5161% (0.76   0.02   0.02) =   1.939%
          HB3   LYS+ 121 - HN    MET   11  31.92 +/- 2.73   3.521% *  8.6021% (0.38   0.02   0.02) =   1.529%
          HB3   LYS+ 111 - HN    MET   11  38.00 +/- 2.58   1.235% * 11.1564% (0.49   0.02   0.02) =   0.696%
    Distance limit 4.37 A violated in 20 structures by 13.66 A, eliminated.
    Peak unassigned.
 
    Peak 1256 (2.08, 8.37, 125.10 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 3.61, residual support = 12.3:
          HG2   MET   11 - HN    ALA   12   3.78 +/- 0.39  98.228% * 97.8531% (0.72   3.61  12.29) =  99.990%  kept
          HB2   GLU-  14 - HN    ALA   12   8.59 +/- 1.61   1.678% *  0.5412% (0.72   0.02   0.02) =   0.009%
          HB2   PRO   68 - HN    ALA   12  13.99 +/- 2.52   0.092% *  0.1508% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    ALA   12  28.86 +/- 2.46   0.001% *  0.5317% (0.71   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    ALA   12  35.12 +/- 2.29   0.000% *  0.5317% (0.71   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA   12  31.32 +/- 2.15   0.000% *  0.2230% (0.30   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA   12  30.82 +/- 3.14   0.001% *  0.0950% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA   12  36.98 +/- 1.56   0.000% *  0.0734% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1257 (1.39, 8.37, 125.10 ppm):
    13 chemical-shift based assignments, quality = 0.681, support = 2.29, residual support = 12.4:
      O   QB    ALA   12 - HN    ALA   12   2.76 +/- 0.28  99.991% * 93.3634% (0.68   2.29  12.45) = 100.000%  kept
          HG3   LYS+  65 - HN    ALA   12  17.54 +/- 2.53   0.004% *  0.7722% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   12  17.81 +/- 3.15   0.003% *  0.8145% (0.68   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   12  20.95 +/- 2.02   0.001% *  0.7192% (0.60   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   12  21.88 +/- 1.71   0.001% *  0.7722% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   12  21.62 +/- 1.85   0.001% *  0.3860% (0.32   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   12  24.13 +/- 2.34   0.000% *  0.6253% (0.52   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   12  31.89 +/- 3.42   0.000% *  0.6895% (0.58   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   12  31.14 +/- 1.97   0.000% *  0.5223% (0.44   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   12  31.63 +/- 2.44   0.000% *  0.3540% (0.30   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   12  29.36 +/- 2.19   0.000% *  0.2394% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   12  35.41 +/- 2.19   0.000% *  0.6253% (0.52   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   12  31.71 +/- 2.17   0.000% *  0.1165% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 5.14:
          QB    ALA   12 - HN    SER   13   2.73 +/- 0.47  99.976% * 91.5358% (0.95   1.76   5.14) = 100.000%  kept
          HG3   LYS+  65 - HN    SER   13  14.57 +/- 1.46   0.014% *  0.9849% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   13  16.53 +/- 2.68   0.004% *  1.0389% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   13  18.50 +/- 1.66   0.002% *  0.9173% (0.84   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   13  19.49 +/- 1.38   0.001% *  0.9849% (0.90   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    SER   13  18.77 +/- 1.13   0.002% *  0.4924% (0.45   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    SER   13  22.59 +/- 1.79   0.001% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   13  28.99 +/- 1.62   0.000% *  0.6661% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   13  30.67 +/- 2.65   0.000% *  0.8794% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    SER   13  27.08 +/- 1.53   0.000% *  0.3053% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    SER   13  29.57 +/- 1.72   0.000% *  0.4515% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   13  32.64 +/- 1.33   0.000% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    SER   13  28.90 +/- 1.45   0.000% *  0.1486% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1259 (3.88, 8.32, 122.30 ppm):
    6 chemical-shift based assignments, quality = 0.451, support = 2.48, residual support = 6.81:
          QB    SER   13 - HN    GLU-  14   3.14 +/- 0.73  99.955% * 95.5995% (0.45   2.48   6.81) = 100.000%  kept
          HB3   SER   37 - HN    GLU-  14  15.31 +/- 2.01   0.024% *  0.9944% (0.58   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLU-  14  15.52 +/- 1.96   0.019% *  0.8178% (0.48   0.02   0.02) =   0.000%
          HB    THR  118 - HN    GLU-  14  26.58 +/- 0.66   0.001% *  1.1879% (0.70   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLU-  14  26.65 +/- 1.82   0.001% *  0.4061% (0.24   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLU-  14  31.46 +/- 1.52   0.000% *  0.9944% (0.58   0.02   0.02) =   0.000%
    Distance limit 4.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1260 (2.26, 8.32, 122.30 ppm):
    10 chemical-shift based assignments, quality = 0.532, support = 4.06, residual support = 47.3:
          QG    GLU-  14 - HN    GLU-  14   3.27 +/- 0.51  92.900% * 96.3770% (0.53   4.06  47.34) =  99.973%  kept
          QG    GLU-  15 - HN    GLU-  14   5.76 +/- 0.79   6.086% *  0.3765% (0.42   0.02   1.36) =   0.026%
          QB    MET   11 - HN    GLU-  14   8.00 +/- 1.03   0.979% *  0.1229% (0.14   0.02   0.02) =   0.001%
          HB3   PHE   72 - HN    GLU-  14  13.85 +/- 1.21   0.020% *  0.5185% (0.58   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  14  15.86 +/- 2.01   0.010% *  0.4508% (0.51   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  14  19.71 +/- 0.99   0.002% *  0.4508% (0.51   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  14  25.32 +/- 1.00   0.001% *  0.6153% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  14  29.30 +/- 1.57   0.000% *  0.5568% (0.62   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  14  27.05 +/- 0.85   0.000% *  0.1548% (0.17   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  14  31.31 +/- 1.32   0.000% *  0.3765% (0.42   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1261 (2.08, 8.32, 122.30 ppm):
    8 chemical-shift based assignments, quality = 0.695, support = 3.76, residual support = 47.3:
      O   HB2   GLU-  14 - HN    GLU-  14   2.55 +/- 0.60  99.867% * 97.9329% (0.70   3.76  47.34) =  99.999%  kept
          HG2   MET   11 - HN    GLU-  14   9.25 +/- 1.30   0.109% *  0.5220% (0.70   0.02   0.02) =   0.001%
          HB2   PRO   68 - HN    GLU-  14  11.63 +/- 1.55   0.023% *  0.1451% (0.19   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU-  14  24.92 +/- 1.04   0.000% *  0.5117% (0.68   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLU-  14  26.54 +/- 1.36   0.000% *  0.2146% (0.29   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU-  14  30.47 +/- 1.14   0.000% *  0.5117% (0.68   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  14  26.66 +/- 1.49   0.000% *  0.0914% (0.12   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  14  32.67 +/- 0.83   0.000% *  0.0706% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1262 (1.93, 8.32, 122.30 ppm):
    5 chemical-shift based assignments, quality = 0.625, support = 3.76, residual support = 47.3:
      O   HB3   GLU-  14 - HN    GLU-  14   2.97 +/- 0.42  99.761% * 98.4179% (0.62   3.76  47.34) =  99.999%  kept
          HG3   MET   11 - HN    GLU-  14   9.07 +/- 1.03   0.236% *  0.4238% (0.51   0.02   0.02) =   0.001%
          HB2   LEU   40 - HN    GLU-  14  18.58 +/- 1.45   0.003% *  0.4460% (0.53   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    GLU-  14  24.05 +/- 1.13   0.000% *  0.5823% (0.70   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    GLU-  14  27.12 +/- 1.37   0.000% *  0.1299% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 5.62, residual support = 84.0:
          QG    GLN   17 - HN    GLN   17   2.64 +/- 0.54  99.802% * 98.8397% (1.00   5.62  84.03) =  99.999%  kept
          HB    VAL   70 - HN    GLN   17   8.24 +/- 0.66   0.188% *  0.3453% (0.98   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    GLN   17  15.77 +/- 0.71   0.004% *  0.2279% (0.65   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    GLN   17  19.82 +/- 0.60   0.001% *  0.3491% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   17  17.39 +/- 1.68   0.002% *  0.0979% (0.28   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    GLN   17  17.74 +/- 0.80   0.002% *  0.0617% (0.18   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLN   17  19.26 +/- 1.01   0.001% *  0.0784% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1264 (2.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 70.0:
      O   HB2   GLN   17 - HN    GLN   17   3.84 +/- 0.05  62.358% * 70.7630% (0.92   5.29  84.03) =  83.144%  kept
          QB    GLU-  15 - HN    GLN   17   4.34 +/- 0.38  32.172% * 27.7736% (0.92   2.08   0.64) =  16.836%  kept
          HB    ILE   19 - HN    GLN   17   6.96 +/- 0.55   2.100% *  0.2321% (0.80   0.02   0.02) =   0.009%
          HB3   PRO   68 - HN    GLN   17   7.19 +/- 1.79   2.738% *  0.1641% (0.57   0.02   0.02) =   0.008%
          HG2   PRO   68 - HN    GLN   17   8.96 +/- 1.13   0.490% *  0.2105% (0.73   0.02   0.02) =   0.002%
          HG3   GLN   30 - HN    GLN   17  11.00 +/- 1.10   0.135% *  0.0645% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN   17  20.01 +/- 0.70   0.003% *  0.2892% (1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLN   17  21.32 +/- 0.68   0.002% *  0.2514% (0.87   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLN   17  24.07 +/- 0.70   0.001% *  0.2514% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1265 (1.79, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 5.29, residual support = 84.0:
      O   HB3   GLN   17 - HN    GLN   17   3.11 +/- 0.31  99.074% * 98.6145% (0.98   5.29  84.03) =  99.998%  kept
          QB    LYS+  65 - HN    GLN   17   7.79 +/- 0.65   0.542% *  0.2763% (0.73   0.02   0.02) =   0.002%
          HB2   LEU   71 - HN    GLN   17   8.96 +/- 1.00   0.258% *  0.2907% (0.76   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    GLN   17  10.01 +/- 0.40   0.107% *  0.0666% (0.18   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   17  14.53 +/- 0.72   0.011% *  0.1058% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   17  17.29 +/- 1.13   0.004% *  0.1428% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    GLN   17  20.05 +/- 0.82   0.002% *  0.2308% (0.61   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    GLN   17  21.44 +/- 0.98   0.001% *  0.1428% (0.38   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   17  22.96 +/- 0.43   0.001% *  0.1298% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1266 (2.01, 8.66, 110.73 ppm):
    12 chemical-shift based assignments, quality = 0.975, support = 2.54, residual support = 7.5:
          QB    GLU-  15 - HN    GLY   16   2.56 +/- 0.55  96.116% * 95.1820% (0.98   2.54   7.51) =  99.974%  kept
          HB3   PRO   68 - HN    GLY   16   5.86 +/- 1.69   2.353% *  0.6008% (0.78   0.02   0.02) =   0.015%
          HB2   GLN   17 - HN    GLY   16   6.10 +/- 0.16   0.952% *  0.7503% (0.98   0.02  18.35) =   0.008%
          HG2   PRO   68 - HN    GLY   16   7.74 +/- 1.12   0.281% *  0.3652% (0.47   0.02   0.02) =   0.001%
          HB    ILE   19 - HN    GLY   16   8.21 +/- 0.65   0.231% *  0.4248% (0.55   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    GLY   16  11.63 +/- 1.19   0.029% *  0.3084% (0.40   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    GLY   16  11.23 +/- 0.96   0.036% *  0.1314% (0.17   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLY   16  20.98 +/- 0.90   0.001% *  0.7097% (0.92   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLY   16  22.21 +/- 0.75   0.000% *  0.4854% (0.63   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLY   16  20.23 +/- 1.20   0.001% *  0.1670% (0.22   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLY   16  18.60 +/- 0.63   0.001% *  0.1314% (0.17   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLY   16  25.30 +/- 0.70   0.000% *  0.7436% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1267 (2.19, 8.27, 122.56 ppm):
    6 chemical-shift based assignments, quality = 0.701, support = 5.81, residual support = 51.0:
          QG    GLN   17 - HN    VAL   18   3.84 +/- 0.45  99.304% * 98.7514% (0.70   5.81  51.04) =  99.998%  kept
          HB    VAL   70 - HN    VAL   18   9.21 +/- 0.32   0.611% *  0.3028% (0.62   0.02   0.02) =   0.002%
          HB2   MET   96 - HN    VAL   18  13.66 +/- 0.41   0.057% *  0.1167% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   18  19.36 +/- 1.55   0.010% *  0.3215% (0.66   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   18  19.11 +/- 0.36   0.007% *  0.3909% (0.81   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   18  17.90 +/- 0.55   0.011% *  0.1167% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (1.97, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 4.99, residual support = 78.2:
      O   HB    VAL   18 - HN    VAL   18   2.71 +/- 0.31  99.228% * 97.8725% (0.70   4.99  78.25) =  99.998%  kept
          HB    ILE   19 - HN    VAL   18   6.47 +/- 0.17   0.609% *  0.1202% (0.21   0.02  22.37) =   0.001%
          HB2   LEU   67 - HN    VAL   18   8.69 +/- 0.68   0.124% *  0.5109% (0.91   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    VAL   18  11.27 +/- 1.09   0.026% *  0.1502% (0.27   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    VAL   18  13.69 +/- 0.65   0.007% *  0.4986% (0.89   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    VAL   18  16.58 +/- 0.64   0.002% *  0.5109% (0.91   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    VAL   18  16.02 +/- 0.64   0.003% *  0.2421% (0.43   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    VAL   18  18.75 +/- 0.74   0.001% *  0.0946% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1269 (1.81, 8.27, 122.56 ppm):
    10 chemical-shift based assignments, quality = 0.329, support = 5.47, residual support = 51.0:
          HB3   GLN   17 - HN    VAL   18   3.80 +/- 0.06  97.064% * 93.7827% (0.33   5.47  51.04) =  99.972%  kept
          QB    LYS+  65 - HN    VAL   18   7.30 +/- 0.53   2.176% *  0.9011% (0.87   0.02   0.02) =   0.022%
          QB    LYS+  66 - HN    VAL   18   9.76 +/- 0.48   0.356% *  0.8392% (0.81   0.02   0.02) =   0.003%
          HB2   LEU   71 - HN    VAL   18  10.07 +/- 0.34   0.289% *  0.8715% (0.84   0.02   0.02) =   0.003%
          HB    VAL   41 - HN    VAL   18  12.77 +/- 0.66   0.072% *  0.6500% (0.62   0.02   0.02) =   0.001%
          HG2   PRO   93 - HN    VAL   18  17.41 +/- 1.06   0.011% *  0.9958% (0.96   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   18  20.00 +/- 0.45   0.005% *  0.9696% (0.93   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    VAL   18  18.78 +/- 0.80   0.007% *  0.4890% (0.47   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   18  16.84 +/- 0.62   0.013% *  0.2505% (0.24   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   18  18.39 +/- 0.79   0.008% *  0.2505% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1270 (0.76, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.913, support = 5.26, residual support = 78.2:
          QG2   VAL   18 - HN    VAL   18   1.98 +/- 0.45  99.681% * 98.2968% (0.91   5.26  78.25) =  99.999%  kept
          QD1   ILE   19 - HN    VAL   18   7.18 +/- 0.19   0.133% *  0.2077% (0.51   0.02  22.37) =   0.000%
          QD2   LEU   73 - HN    VAL   18   6.92 +/- 0.41   0.131% *  0.0984% (0.24   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   18   9.08 +/- 0.44   0.026% *  0.3424% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    VAL   18   9.64 +/- 0.51   0.023% *  0.3939% (0.96   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    VAL   18  11.80 +/- 0.32   0.005% *  0.3644% (0.89   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   18  15.36 +/- 0.44   0.001% *  0.1482% (0.36   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   18  16.43 +/- 0.41   0.001% *  0.1482% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 8.15:
          QB    ALA   64 - HN    VAL   18   3.07 +/- 0.25  99.976% * 99.8615% (0.84   2.25   8.15) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   18  12.48 +/- 0.86   0.024% *  0.1385% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1272 (7.24, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.433, support = 4.37, residual support = 16.4:
          HN    PHE   59 - HN    PHE   60   2.95 +/- 0.05  84.988% * 77.9610% (0.44   4.42  16.69) =  96.969%  kept
          QE    PHE   59 - HN    THR  118   4.18 +/- 0.30  11.449% * 18.0226% (0.16   2.82   5.66) =   3.020%  kept
          QE    PHE   59 - HN    PHE   60   5.43 +/- 0.49   2.777% *  0.2260% (0.28   0.02  16.69) =   0.009%
          HN    HIS  122 - HN    THR  118   6.88 +/- 0.08   0.532% *  0.1686% (0.21   0.02   3.92) =   0.001%
          HN    PHE   59 - HN    THR  118   9.75 +/- 0.25   0.066% *  0.1992% (0.25   0.02   5.66) =   0.000%
          HN    LYS+  66 - HN    PHE   60   8.63 +/- 0.16   0.137% *  0.0653% (0.08   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    PHE   60  11.74 +/- 0.28   0.022% *  0.2984% (0.37   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    GLU-  15  12.60 +/- 0.67   0.015% *  0.1398% (0.18   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    GLU-  15  17.79 +/- 0.72   0.002% *  0.4843% (0.61   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    GLU-  15  19.25 +/- 0.82   0.001% *  0.7553% (0.95   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    GLU-  15  21.22 +/- 0.59   0.001% *  0.6393% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    THR  118  13.24 +/- 0.38   0.011% *  0.0369% (0.05   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    PHE   60  24.22 +/- 0.44   0.000% *  0.2706% (0.34   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    GLU-  15  30.82 +/- 1.22   0.000% *  0.5798% (0.73   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    THR  118  25.55 +/- 1.00   0.000% *  0.1529% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 5.41, residual support = 41.6:
          HN    ALA   61 - HN    PHE   60   2.71 +/- 0.08  99.975% * 95.1411% (0.47   5.41  41.57) = 100.000%  kept
          HN    ALA   61 - HN    GLU-  15  15.04 +/- 0.88   0.004% *  0.7536% (1.00   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    THR  118  12.43 +/- 0.15   0.011% *  0.1987% (0.26   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLU-  15  17.77 +/- 0.94   0.001% *  0.5759% (0.76   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    PHE   60  16.84 +/- 0.20   0.002% *  0.3486% (0.46   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLU-  15  16.26 +/- 1.56   0.003% *  0.1491% (0.20   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    PHE   60  19.67 +/- 0.36   0.001% *  0.2688% (0.36   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR  118  20.64 +/- 0.56   0.001% *  0.1970% (0.26   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    PHE   60  23.68 +/- 0.33   0.000% *  0.3051% (0.40   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLU-  15  28.50 +/- 0.63   0.000% *  0.7469% (0.99   0.02   0.02) =   0.000%
          HN    THR   39 - HN    PHE   60  19.87 +/- 0.67   0.001% *  0.0696% (0.09   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    PHE   60  19.81 +/- 0.26   0.001% *  0.0616% (0.08   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR  118  25.02 +/- 0.59   0.000% *  0.1724% (0.23   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLU-  15  32.19 +/- 1.04   0.000% *  0.6537% (0.87   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    THR  118  26.14 +/- 0.38   0.000% *  0.1519% (0.20   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR  118  21.54 +/- 0.71   0.000% *  0.0393% (0.05   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLU-  15  27.79 +/- 0.90   0.000% *  0.1320% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR  118  22.90 +/- 0.44   0.000% *  0.0348% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 4.63, residual support = 69.8:
      O   HB3   PHE   60 - HN    PHE   60   2.53 +/- 0.42  99.900% * 95.5079% (0.47   4.63  69.81) = 100.000%  kept
          HB2   PHE   97 - HN    THR  118   9.63 +/- 0.28   0.045% *  0.1226% (0.14   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    THR  118  11.18 +/- 0.44   0.019% *  0.2204% (0.25   0.02   2.80) =   0.000%
          HB3   PHE   60 - HN    GLU-  15  15.44 +/- 1.23   0.004% *  0.8834% (1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    PHE   60  12.06 +/- 0.33   0.012% *  0.2169% (0.25   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    PHE   60  13.82 +/- 1.05   0.006% *  0.3900% (0.44   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    THR  118  12.02 +/- 0.79   0.010% *  0.2330% (0.26   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    GLU-  15  17.58 +/- 0.91   0.001% *  0.4300% (0.49   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   60  17.25 +/- 0.52   0.001% *  0.2007% (0.23   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    GLU-  15  21.33 +/- 0.78   0.000% *  0.4648% (0.53   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    GLU-  15  23.64 +/- 1.25   0.000% *  0.8357% (0.95   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  15  19.40 +/- 1.58   0.001% *  0.2203% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    PHE   60  21.84 +/- 0.43   0.000% *  0.1028% (0.12   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    THR  118  23.52 +/- 0.52   0.000% *  0.1134% (0.13   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    THR  118  24.28 +/- 0.65   0.000% *  0.0581% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1275 (3.15, 8.20, 120.98 ppm):
    6 chemical-shift based assignments, quality = 0.39, support = 4.0, residual support = 16.7:
          HB3   PHE   59 - HN    PHE   60   3.69 +/- 0.12  98.472% * 96.9651% (0.39   4.00  16.69) =  99.996%  kept
          HB3   PHE   59 - HN    THR  118   7.50 +/- 0.30   1.515% *  0.2739% (0.22   0.02   5.66) =   0.004%
          HB3   TRP   49 - HN    PHE   60  17.91 +/- 0.76   0.008% *  0.4646% (0.37   0.02   0.02) =   0.000%
          HB3   PHE   59 - HN    GLU-  15  20.39 +/- 0.73   0.004% *  1.0384% (0.84   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    GLU-  15  27.75 +/- 1.12   0.001% *  0.9955% (0.80   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    THR  118  24.81 +/- 1.07   0.001% *  0.2625% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.05 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 = 3.03, residual support = 5.52:
        T HN    SER  117 - HN    THR  118   2.50 +/- 0.17  99.983% * 95.7571% (0.17   3.03   5.52) = 100.000%  kept
        T HN    SER  117 - HN    PHE   60  11.23 +/- 0.24   0.013% *  1.1446% (0.30   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    PHE   60  14.22 +/- 0.53   0.003% *  1.2735% (0.34   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    THR  118  20.88 +/- 0.58   0.000% *  0.7032% (0.19   0.02   0.02) =   0.000%
          HN    SER   82 - HN    PHE   60  22.49 +/- 0.42   0.000% *  0.7226% (0.19   0.02   0.02) =   0.000%
          HN    SER   82 - HN    THR  118  28.25 +/- 0.53   0.000% *  0.3990% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 4.19, residual support = 36.2:
          QG2   THR  118 - HN    THR  118   3.67 +/- 0.01  98.435% * 99.1431% (0.13   4.19  36.17) =  99.986%  kept
          QG2   THR  118 - HN    PHE   60   7.34 +/- 0.24   1.565% *  0.8569% (0.23   0.02   0.02) =   0.014%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (3.90, 8.17, 120.70 ppm):
    6 chemical-shift based assignments, quality = 0.142, support = 4.24, residual support = 52.8:
      O   HA    PHE   60 - HN    PHE   60   2.80 +/- 0.02  17.124% * 77.4000% (0.22   4.63  69.81) =  54.665%  kept
      O   HB    THR  118 - HN    THR  118   2.26 +/- 0.05  62.790% * 15.3067% (0.05   3.86  36.17) =  39.640%  kept
          QB    SER  117 - HN    THR  118   2.79 +/- 0.26  20.054% *  6.8856% (0.03   3.13   5.52) =   5.695%  kept
          HB    THR  118 - HN    PHE   60   8.55 +/- 0.14   0.021% *  0.1436% (0.09   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    THR  118  10.20 +/- 0.18   0.007% *  0.1845% (0.12   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  11.76 +/- 0.24   0.003% *  0.0797% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1280 (3.69, 8.17, 120.70 ppm):
    14 chemical-shift based assignments, quality = 0.145, support = 3.82, residual support = 36.1:
      O   HA    THR  118 - HN    THR  118   2.84 +/- 0.03  89.809% * 36.0286% (0.14   3.74  36.17) =  95.022%  kept
          HA    ILE  119 - HN    THR  118   5.08 +/- 0.08   2.748% * 61.4532% (0.17   5.43  34.05) =   4.959%  kept
          HD3   PRO   58 - HN    PHE   60   4.33 +/- 0.11   7.210% *  0.0800% (0.06   0.02   0.02) =   0.017%
          HA    ILE  119 - HN    PHE   60   8.33 +/- 0.22   0.142% *  0.4097% (0.30   0.02   0.02) =   0.002%
          HA    THR  118 - HN    PHE   60  11.13 +/- 0.16   0.025% *  0.3492% (0.26   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    PHE   60  12.56 +/- 0.21   0.012% *  0.2048% (0.15   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    THR  118  11.84 +/- 0.19   0.017% *  0.1131% (0.08   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    PHE   60  12.95 +/- 0.27   0.010% *  0.1715% (0.13   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    THR  118  11.25 +/- 0.25   0.023% *  0.0442% (0.03   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    PHE   60  18.04 +/- 0.36   0.001% *  0.3816% (0.28   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    PHE   60  19.61 +/- 0.25   0.001% *  0.2956% (0.22   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    THR  118  19.99 +/- 0.31   0.001% *  0.0947% (0.07   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    THR  118  24.62 +/- 0.42   0.000% *  0.2107% (0.16   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    THR  118  23.99 +/- 0.24   0.000% *  0.1632% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.947, support = 0.0197, residual support = 15.9:
      O   HA    PHE   59 - HN    PHE   60   3.63 +/- 0.01  80.678% * 16.0661% (0.99   0.02  16.69) =  95.311%  kept
          HA    ILE   56 - HN    PHE   60   4.74 +/- 0.17  16.737% *  2.4844% (0.15   0.02   0.02) =   3.058%  kept
          HA    ASP- 113 - HN    THR  118   6.97 +/- 0.34   1.698% *  7.8708% (0.48   0.02   0.02) =   0.983%
          HA    PHE   59 - HN    THR  118   8.25 +/- 0.29   0.605% * 12.9479% (0.80   0.02   5.66) =   0.576%
          HA    ASP- 113 - HN    PHE   60  12.58 +/- 0.32   0.048% *  9.7663% (0.60   0.02   0.02) =   0.034%
          HA    ILE   56 - HN    THR  118   9.89 +/- 0.24   0.201% *  2.0022% (0.12   0.02   0.02) =   0.030%
          HA    PHE   59 - HN    GLU-  15  18.71 +/- 0.76   0.004% *  6.3895% (0.39   0.02   0.02) =   0.002%
          HA    LYS+  99 - HN    PHE   60  17.59 +/- 0.28   0.006% *  4.4769% (0.28   0.02   0.02) =   0.002%
          HA    LYS+  99 - HN    THR  118  17.15 +/- 0.28   0.007% *  3.6080% (0.22   0.02   0.02) =   0.002%
          HA    TRP   87 - HN    PHE   60  23.52 +/- 0.24   0.001% *  9.7663% (0.60   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU-  15  19.50 +/- 1.21   0.004% *  1.7805% (0.11   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   60  21.44 +/- 0.47   0.002% *  2.8199% (0.17   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    THR  118  25.74 +/- 0.30   0.001% *  7.8708% (0.48   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU-  15  19.36 +/- 1.52   0.004% *  1.1215% (0.07   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    THR  118  23.04 +/- 0.57   0.001% *  2.2726% (0.14   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  15  21.57 +/- 0.81   0.002% *  0.9881% (0.06   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU-  15  28.93 +/- 0.80   0.000% *  3.8841% (0.24   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU-  15  32.31 +/- 0.88   0.000% *  3.8841% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 20 structures by 0.43 A, eliminated.
    Peak unassigned.
 
    Peak 1283 (3.91, 8.18, 120.93 ppm):
    15 chemical-shift based assignments, quality = 0.831, support = 4.32, residual support = 56.3:
      O   HA    PHE   60 - HN    PHE   60   2.80 +/- 0.02  48.688% * 78.9811% (0.96   4.63  69.81) =  79.052%  kept
          QB    SER  117 - HN    THR  118   2.79 +/- 0.26  51.021% * 19.9722% (0.36   3.13   5.52) =  20.948%  kept
          HA    LYS+ 121 - HN    THR  118   6.82 +/- 0.14   0.235% *  0.0499% (0.14   0.02   9.88) =   0.000%
          HA    PHE   60 - HN    THR  118  10.20 +/- 0.18   0.021% *  0.2748% (0.77   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  11.76 +/- 0.24   0.009% *  0.1584% (0.44   0.02   0.02) =   0.000%
          HB    THR   94 - HN    PHE   60  11.18 +/- 0.24   0.012% *  0.0478% (0.13   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   60  13.77 +/- 0.21   0.003% *  0.0786% (0.22   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    GLU-  15  15.43 +/- 0.62   0.002% *  0.1356% (0.38   0.02   0.02) =   0.000%
          HB    THR   94 - HN    THR  118  12.83 +/- 0.19   0.005% *  0.0385% (0.11   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   60  14.37 +/- 0.19   0.003% *  0.0619% (0.17   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR  118  20.27 +/- 0.45   0.000% *  0.0634% (0.18   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLU-  15  24.80 +/- 0.55   0.000% *  0.0630% (0.18   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLU-  15  24.60 +/- 0.74   0.000% *  0.0246% (0.07   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    GLU-  15  26.30 +/- 1.03   0.000% *  0.0313% (0.09   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLU-  15  24.35 +/- 0.62   0.000% *  0.0190% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 0.486, support = 3.24, residual support = 15.3:
          QG    GLU-  14 - HN    GLU-  15   3.42 +/- 0.57  48.998% * 18.8258% (0.36   2.66   1.36) =  41.661%  kept
          HG12  ILE  119 - HN    THR  118   4.39 +/- 0.32  13.338% * 62.4201% (0.72   4.48  34.05) =  37.603%  kept
          QG    GLU-  15 - HN    GLU-  15   3.66 +/- 0.63  34.081% * 13.4437% (0.32   2.19   9.12) =  20.693%  kept
          HB2   ASP-  44 - HN    PHE   60   6.00 +/- 0.17   1.748% *  0.3459% (0.89   0.02   2.92) =   0.027%
          HG12  ILE  119 - HN    PHE   60   7.29 +/- 0.44   0.562% *  0.3459% (0.89   0.02   0.02) =   0.009%
          HB3   PHE   72 - HN    PHE   60   8.75 +/- 0.67   0.177% *  0.3722% (0.96   0.02   5.88) =   0.003%
          HB2   ASP- 105 - HN    THR  118   6.83 +/- 0.27   0.853% *  0.0421% (0.11   0.02   5.76) =   0.002%
          HB3   PHE   72 - HN    GLU-  15  10.59 +/- 1.11   0.090% *  0.1480% (0.38   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    THR  118  13.35 +/- 0.20   0.014% *  0.2788% (0.72   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLU-  15  10.37 +/- 0.96   0.072% *  0.0523% (0.13   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    PHE   60  14.86 +/- 0.90   0.009% *  0.3088% (0.79   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    THR  118  15.71 +/- 0.60   0.005% *  0.3000% (0.77   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    PHE   60  17.35 +/- 1.42   0.003% *  0.3560% (0.91   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    PHE   60  12.45 +/- 0.42   0.022% *  0.0522% (0.13   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    PHE   60  15.48 +/- 0.85   0.006% *  0.1586% (0.41   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   60  18.19 +/- 0.57   0.002% *  0.3823% (0.98   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  15  16.50 +/- 0.66   0.004% *  0.1376% (0.35   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  15  16.04 +/- 1.12   0.006% *  0.0807% (0.21   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    THR  118  17.99 +/- 1.11   0.003% *  0.1278% (0.33   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR  118  20.49 +/- 1.08   0.001% *  0.2489% (0.64   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    THR  118  22.02 +/- 0.56   0.001% *  0.3081% (0.79   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   60  21.62 +/- 0.56   0.001% *  0.2029% (0.52   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  15  21.56 +/- 0.79   0.001% *  0.1376% (0.35   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR  118  24.60 +/- 1.19   0.000% *  0.2869% (0.74   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   60  24.21 +/- 2.09   0.000% *  0.1316% (0.34   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  15  27.25 +/- 1.05   0.000% *  0.1520% (0.39   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    THR  118  27.88 +/- 0.55   0.000% *  0.1635% (0.42   0.02   0.02) =   0.000%
          QB    MET   11 - HN    THR  118  30.00 +/- 2.06   0.000% *  0.1060% (0.27   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  15  28.46 +/- 1.01   0.000% *  0.0631% (0.16   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  15  23.93 +/- 0.76   0.000% *  0.0208% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 0.257, support = 1.6, residual support = 5.77:
      O   QB    GLU-  15 - HN    GLU-  15   3.10 +/- 0.16  86.062% *  6.2765% (0.06   1.96   9.12) =  62.080%  kept
          QB    GLU- 114 - HN    THR  118   4.95 +/- 0.47   7.106% * 30.7785% (0.48   1.20   0.39) =  25.137%  kept
          HB2   LEU  115 - HN    THR  118   5.41 +/- 0.18   3.183% * 22.0196% (0.69   0.60   0.14) =   8.054%  kept
          HG3   PRO   58 - HN    PHE   60   6.44 +/- 0.36   1.291% * 31.3148% (0.89   0.67   0.02) =   4.645%  kept
          HB2   LEU  115 - HN    PHE   60   7.59 +/- 0.26   0.417% *  0.9071% (0.86   0.02   0.02) =   0.044%
          HB    VAL   18 - HN    PHE   60   7.61 +/- 0.50   0.438% *  0.2607% (0.25   0.02   1.50) =   0.013%
          HB2   GLN   17 - HN    GLU-  15   6.60 +/- 0.53   1.029% *  0.0642% (0.06   0.02   0.64) =   0.008%
          HB2   LEU   67 - HN    PHE   60  10.14 +/- 0.49   0.075% *  0.5090% (0.48   0.02   0.02) =   0.004%
          HB    ILE   19 - HN    GLU-  15   9.81 +/- 0.79   0.098% *  0.2857% (0.27   0.02   0.02) =   0.003%
          QB    GLU- 114 - HN    PHE   60  11.19 +/- 0.60   0.044% *  0.6342% (0.60   0.02   0.02) =   0.003%
          HG2   PRO   68 - HN    GLU-  15  10.87 +/- 1.45   0.060% *  0.3178% (0.30   0.02   0.02) =   0.002%
          HG3   PRO   58 - HN    THR  118  12.46 +/- 0.59   0.023% *  0.7558% (0.72   0.02   0.02) =   0.002%
          HB    ILE   19 - HN    PHE   60  13.14 +/- 0.34   0.015% *  0.7183% (0.68   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    PHE   60  14.66 +/- 0.51   0.008% *  0.7991% (0.76   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    PHE   60  11.46 +/- 0.85   0.038% *  0.1613% (0.15   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    GLU-  15  10.66 +/- 0.47   0.054% *  0.1037% (0.10   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    GLU-  15  12.24 +/- 0.83   0.026% *  0.2024% (0.19   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    THR  118  13.58 +/- 0.65   0.013% *  0.4102% (0.39   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    THR  118  18.22 +/- 0.59   0.002% *  0.6440% (0.61   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   60  15.33 +/- 0.64   0.006% *  0.1613% (0.15   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    THR  118  16.03 +/- 0.80   0.005% *  0.2101% (0.20   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    THR  118  20.44 +/- 0.35   0.001% *  0.5789% (0.55   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    GLU-  15  21.10 +/- 1.02   0.001% *  0.3730% (0.35   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR  118  20.39 +/- 0.70   0.001% *  0.1300% (0.12   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    GLU-  15  24.30 +/- 0.68   0.000% *  0.3607% (0.34   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR  118  21.12 +/- 0.74   0.001% *  0.1300% (0.12   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU-  15  20.82 +/- 1.13   0.001% *  0.1156% (0.11   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   60  24.61 +/- 0.40   0.000% *  0.2907% (0.28   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  15  25.44 +/- 0.75   0.000% *  0.2522% (0.24   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    THR  118  31.21 +/- 0.38   0.000% *  0.2343% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 0.104, support = 0.0178, residual support = 0.0178:
          QG1   ILE   56 - HN    PHE   60   4.76 +/- 0.22  87.521% *  0.7483% (0.09   0.02   0.02) =  76.575%  kept
          HD2   LYS+ 111 - HN    THR  118   9.05 +/- 0.80   2.249% *  2.0944% (0.26   0.02   0.02) =   5.506%  kept
          HB2   LEU  123 - HN    THR  118   8.95 +/- 0.20   2.065% *  1.7109% (0.21   0.02   0.02) =   4.132%  kept
          HG3   PRO   93 - HN    PHE   60  10.44 +/- 0.64   0.851% *  2.8896% (0.36   0.02   0.02) =   2.875%  kept
          QG1   ILE   56 - HN    THR  118   7.79 +/- 0.28   4.877% *  0.4228% (0.05   0.02   0.02) =   2.411%
          HB2   LEU   73 - HN    PHE   60  11.83 +/- 0.18   0.387% *  3.6490% (0.45   0.02   0.76) =   1.652%
          QD    LYS+ 106 - HN    THR  118  11.09 +/- 0.33   0.574% *  1.7847% (0.22   0.02   2.80) =   1.197%
          HB2   LEU   73 - HN    GLU-  15  14.70 +/- 0.86   0.108% *  7.8187% (0.97   0.02   0.02) =   0.991%
          HB3   MET   92 - HN    PHE   60  13.34 +/- 0.71   0.191% *  3.7811% (0.47   0.02   0.02) =   0.846%
          QD    LYS+ 106 - HN    PHE   60  13.03 +/- 0.64   0.225% *  3.1583% (0.39   0.02   0.02) =   0.830%
          HD2   LYS+ 111 - HN    PHE   60  13.73 +/- 0.46   0.158% *  3.7063% (0.46   0.02   0.02) =   0.687%
          HB2   LEU  123 - HN    PHE   60  14.12 +/- 0.42   0.134% *  3.0277% (0.37   0.02   0.02) =   0.475%
          QD    LYS+  99 - HN    GLU-  15  17.47 +/- 1.32   0.041% *  6.4873% (0.80   0.02   0.02) =   0.308%
          QD    LYS+  99 - HN    THR  118  14.05 +/- 0.40   0.139% *  1.7109% (0.21   0.02   0.02) =   0.277%
          QD    LYS+  99 - HN    PHE   60  15.48 +/- 0.47   0.078% *  3.0277% (0.37   0.02   0.02) =   0.274%
          HG3   PRO   93 - HN    THR  118  14.58 +/- 0.22   0.109% *  1.6329% (0.20   0.02   0.02) =   0.208%
          HB3   MET   92 - HN    THR  118  15.46 +/- 1.05   0.081% *  2.1367% (0.26   0.02   0.02) =   0.202%
          QD    LYS+  38 - HN    GLU-  15  19.50 +/- 2.42   0.052% *  1.8037% (0.22   0.02   0.02) =   0.109%
          HB2   LEU   73 - HN    THR  118  17.85 +/- 0.34   0.033% *  2.0621% (0.25   0.02   0.02) =   0.079%
          QD    LYS+ 106 - HN    GLU-  15  22.58 +/- 1.18   0.008% *  6.7671% (0.84   0.02   0.02) =   0.065%
          QD    LYS+ 102 - HN    THR  118  17.31 +/- 1.31   0.044% *  1.2097% (0.15   0.02   0.02) =   0.062%
          HB2   LEU  123 - HN    GLU-  15  22.85 +/- 0.58   0.007% *  6.4873% (0.80   0.02   0.02) =   0.057%
          QD    LYS+ 102 - HN    PHE   60  20.37 +/- 0.96   0.015% *  2.1407% (0.26   0.02   0.02) =   0.038%
          QG1   ILE   56 - HN    GLU-  15  19.93 +/- 0.69   0.017% *  1.6033% (0.20   0.02   0.02) =   0.032%
          HG3   PRO   93 - HN    GLU-  15  25.31 +/- 1.27   0.004% *  6.1915% (0.76   0.02   0.02) =   0.030%
          HB3   MET   92 - HN    GLU-  15  26.94 +/- 0.68   0.003% *  8.1017% (1.00   0.02   0.02) =   0.026%
          QD    LYS+ 102 - HN    GLU-  15  24.97 +/- 1.18   0.004% *  4.5868% (0.57   0.02   0.02) =   0.024%
          QD    LYS+  38 - HN    PHE   60  21.95 +/- 1.72   0.014% *  0.8418% (0.10   0.02   0.02) =   0.014%
          HD2   LYS+ 111 - HN    GLU-  15  30.55 +/- 1.00   0.001% *  7.9413% (0.98   0.02   0.02) =   0.012%
          QD    LYS+  38 - HN    THR  118  21.87 +/- 1.08   0.010% *  0.4757% (0.06   0.02   0.02) =   0.006%
    Distance limit 4.36 A violated in 13 structures by 0.36 A, eliminated.
    Peak unassigned.
 
    Peak 1289 (1.41, 8.20, 120.98 ppm):
    33 chemical-shift based assignments, quality = 0.244, support = 2.65, residual support = 41.4:
          QB    ALA   61 - HN    PHE   60   4.23 +/- 0.06  64.009% * 72.5735% (0.25   2.66  41.57) =  99.502%  kept
          HD3   LYS+ 121 - HN    THR  118   5.67 +/- 1.61  25.510% *  0.5403% (0.24   0.02   9.88) =   0.295%
          QB    ALA   12 - HN    GLU-  15   6.87 +/- 0.67   4.334% *  0.8330% (0.38   0.02   0.02) =   0.077%
          HG12  ILE   19 - HN    GLU-  15   8.05 +/- 0.83   1.683% *  1.8538% (0.84   0.02   0.02) =   0.067%
          QB    ALA  110 - HN    PHE   60   7.79 +/- 0.32   1.673% *  0.7916% (0.36   0.02   0.02) =   0.028%
          HB3   LYS+  74 - HN    PHE   60  10.28 +/- 0.48   0.322% *  0.9290% (0.42   0.02   0.02) =   0.006%
          QG    LYS+  66 - HN    PHE   60   8.77 +/- 0.71   0.876% *  0.2306% (0.10   0.02   0.02) =   0.004%
          QB    ALA   61 - HN    GLU-  15  11.71 +/- 0.93   0.155% *  1.1677% (0.53   0.02   0.02) =   0.004%
          QB    ALA  110 - HN    THR  118   9.92 +/- 0.20   0.386% *  0.4473% (0.20   0.02   0.02) =   0.004%
          HB3   LYS+  74 - HN    GLU-  15  13.74 +/- 0.68   0.056% *  1.9905% (0.90   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    GLU-  15  12.52 +/- 1.11   0.112% *  0.8330% (0.38   0.02   0.02) =   0.002%
          HB3   LEU   67 - HN    PHE   60  11.35 +/- 0.59   0.180% *  0.3888% (0.18   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    PHE   60  13.64 +/- 0.99   0.058% *  0.9562% (0.43   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    THR  118  12.04 +/- 0.16   0.122% *  0.3080% (0.14   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    PHE   60  14.64 +/- 0.72   0.038% *  0.8652% (0.39   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    THR  118  10.84 +/- 0.65   0.242% *  0.1303% (0.06   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    GLU-  15  13.76 +/- 0.73   0.055% *  0.4941% (0.22   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    PHE   60  14.69 +/- 0.30   0.036% *  0.6701% (0.30   0.02   0.02) =   0.001%
          QB    LEU   98 - HN    THR  118  14.38 +/- 0.38   0.041% *  0.3787% (0.17   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    GLU-  15  18.82 +/- 1.11   0.009% *  1.4358% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    THR  118  14.13 +/- 0.64   0.048% *  0.2197% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    PHE   60  18.27 +/- 0.48   0.010% *  1.0267% (0.46   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    PHE   60  18.65 +/- 1.19   0.010% *  0.7522% (0.34   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLU-  15  21.48 +/- 0.72   0.004% *  1.6962% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLU-  15  22.74 +/- 0.77   0.003% *  2.1998% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLU-  15  22.16 +/- 1.14   0.003% *  1.6117% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    THR  118  19.03 +/- 0.47   0.008% *  0.5250% (0.24   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLU-  15  25.02 +/- 1.07   0.002% *  2.0488% (0.92   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    PHE   60  20.06 +/- 1.68   0.008% *  0.3888% (0.18   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    THR  118  22.26 +/- 0.44   0.003% *  0.4889% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    THR  118  24.15 +/- 0.47   0.002% *  0.5802% (0.26   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    THR  118  24.37 +/- 1.23   0.002% *  0.4250% (0.19   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR  118  26.06 +/- 1.50   0.001% *  0.2197% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1291 (1.28, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.895, support = 3.53, residual support = 24.3:
      O   QB    ALA   34 - HN    ALA   34   2.05 +/- 0.09  98.889% * 96.0377% (0.89   3.53  24.30) =  99.995%  kept
          QG2   THR   23 - HN    LEU   80   4.57 +/- 0.19   0.889% *  0.5385% (0.89   0.02   4.93) =   0.005%
          QG2   THR   39 - HN    ALA   34   6.50 +/- 0.82   0.151% *  0.1687% (0.28   0.02   3.42) =   0.000%
          HG3   LYS+  38 - HN    ALA   34   8.50 +/- 0.57   0.026% *  0.3191% (0.52   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LEU   80   7.72 +/- 0.25   0.038% *  0.1210% (0.20   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   80  11.37 +/- 0.77   0.004% *  0.1511% (0.25   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  14.11 +/- 0.24   0.001% *  0.6012% (0.99   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  13.87 +/- 0.39   0.001% *  0.3945% (0.65   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  14.89 +/- 0.44   0.001% *  0.4872% (0.80   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  17.24 +/- 0.54   0.000% *  0.4405% (0.72   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  16.45 +/- 0.42   0.000% *  0.1350% (0.22   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    LEU   80  19.10 +/- 0.65   0.000% *  0.1511% (0.25   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   34  20.53 +/- 0.91   0.000% *  0.1687% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   80  25.39 +/- 1.38   0.000% *  0.2858% (0.47   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1292 (4.12, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.565, support = 3.35, residual support = 24.3:
      O   HA    ALA   34 - HN    ALA   34   2.81 +/- 0.02  97.044% * 90.5348% (0.56   3.35  24.30) =  99.984%  kept
          HA    LYS+  81 - HN    LEU   80   5.31 +/- 0.05   2.147% *  0.4505% (0.47   0.02  34.22) =   0.011%
          HA    ASN   28 - HN    ALA   34   7.57 +/- 0.15   0.258% *  0.7306% (0.76   0.02   0.02) =   0.002%
          HA    GLU-  36 - HN    ALA   34   6.93 +/- 0.08   0.437% *  0.3930% (0.41   0.02   0.02) =   0.002%
          HA1   GLY  101 - HN    ALA   34   9.50 +/- 1.42   0.093% *  0.3588% (0.37   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  12.01 +/- 0.21   0.016% *  0.6544% (0.68   0.02   3.03) =   0.000%
          HA    ARG+  54 - HN    LEU   80  18.18 +/- 1.05   0.001% *  0.8393% (0.88   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  19.81 +/- 0.52   0.001% *  0.4848% (0.51   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  21.99 +/- 0.47   0.000% *  0.6942% (0.72   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  21.20 +/- 0.31   0.001% *  0.5030% (0.52   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  24.62 +/- 0.60   0.000% *  0.9370% (0.98   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  24.57 +/- 0.81   0.000% *  0.8825% (0.92   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  23.28 +/- 0.48   0.000% *  0.6217% (0.65   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  21.59 +/- 1.51   0.001% *  0.3214% (0.34   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  23.52 +/- 0.29   0.000% *  0.3520% (0.37   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  25.87 +/- 0.62   0.000% *  0.2384% (0.25   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  26.98 +/- 0.52   0.000% *  0.2135% (0.22   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  33.92 +/- 0.69   0.000% *  0.7904% (0.82   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.95, support = 6.13, residual support = 35.4:
      O   HA    LYS+  33 - HN    ALA   34   3.62 +/- 0.01  73.959% * 77.0907% (0.99   6.23  37.65) =  94.014%  kept
          HA    GLN   32 - HN    ALA   34   4.58 +/- 0.13  18.259% * 19.8295% (0.34   4.65   0.51) =   5.970%  kept
          HB2   SER   82 - HN    LEU   80   7.03 +/- 0.76   1.758% *  0.2117% (0.85   0.02   0.20) =   0.006%
          HA    GLU-  29 - HN    ALA   34   7.31 +/- 0.33   1.140% *  0.2476% (0.99   0.02   0.02) =   0.005%
          HB2   SER   37 - HN    ALA   34   6.07 +/- 0.63   4.247% *  0.0438% (0.17   0.02   1.33) =   0.003%
          HA    VAL   70 - HN    ALA   34   8.94 +/- 0.36   0.340% *  0.2000% (0.80   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    ALA   34  11.61 +/- 0.28   0.069% *  0.2449% (0.98   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   80  11.09 +/- 0.61   0.098% *  0.1357% (0.54   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  11.35 +/- 0.22   0.079% *  0.0840% (0.34   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  14.63 +/- 0.26   0.017% *  0.2218% (0.89   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  15.64 +/- 0.30   0.012% *  0.2193% (0.88   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  18.01 +/- 0.48   0.005% *  0.2363% (0.94   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  19.58 +/- 0.29   0.003% *  0.2218% (0.89   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  18.12 +/- 0.28   0.005% *  0.0763% (0.30   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  21.96 +/- 0.36   0.001% *  0.1792% (0.72   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  18.19 +/- 0.94   0.005% *  0.0443% (0.18   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  24.61 +/- 0.56   0.001% *  0.2000% (0.80   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  23.61 +/- 0.51   0.001% *  0.1515% (0.61   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  26.78 +/- 0.57   0.000% *  0.1792% (0.72   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  24.75 +/- 0.71   0.001% *  0.0938% (0.37   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  23.19 +/- 0.73   0.001% *  0.0392% (0.16   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  28.26 +/- 1.19   0.000% *  0.0494% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.73, support = 0.0197, residual support = 33.5:
          HG3   LYS+  33 - HN    ALA   34   3.63 +/- 0.36  85.145% *  4.3312% (0.76   0.02  37.65) =  88.969%  kept
          QB    ALA   84 - HN    LEU   80   5.13 +/- 0.22  12.894% *  3.0788% (0.54   0.02   0.02) =   9.577%  kept
          HB3   LEU   73 - HN    ALA   34   8.77 +/- 0.26   0.475% *  5.0827% (0.89   0.02   0.02) =   0.583%
          HG    LEU   98 - HN    ALA   34   9.36 +/- 1.29   0.426% *  2.7586% (0.49   0.02   0.02) =   0.283%
          HB    VAL   42 - HN    ALA   34  10.70 +/- 0.25   0.143% *  4.7338% (0.83   0.02   0.02) =   0.163%
          HB3   LEU   73 - HN    LEU   80  10.79 +/- 0.44   0.141% *  4.5524% (0.80   0.02   0.02) =   0.155%
          QB    LEU   98 - HN    ALA   34   8.48 +/- 0.54   0.600% *  0.9925% (0.17   0.02   0.02) =   0.144%
          HG3   LYS+ 102 - HN    ALA   34  14.76 +/- 1.26   0.023% *  5.2316% (0.92   0.02   0.02) =   0.029%
          HG3   LYS+ 106 - HN    ALA   34  15.93 +/- 0.91   0.013% *  5.6548% (1.00   0.02   0.02) =   0.018%
          HB3   PRO   93 - HN    LEU   80  16.33 +/- 0.76   0.012% *  3.2838% (0.58   0.02   0.02) =   0.009%
          QB    ALA   12 - HN    ALA   34  16.40 +/- 2.48   0.017% *  2.1270% (0.37   0.02   0.02) =   0.009%
          HG3   LYS+  33 - HN    LEU   80  17.93 +/- 1.39   0.008% *  3.8793% (0.68   0.02   0.02) =   0.008%
          HB    VAL   42 - HN    LEU   80  17.91 +/- 0.66   0.007% *  4.2399% (0.75   0.02   0.02) =   0.007%
          HB3   ASP-  44 - HN    LEU   80  14.68 +/- 0.37   0.022% *  1.2657% (0.22   0.02   0.02) =   0.007%
          HG3   LYS+  65 - HN    ALA   34  18.46 +/- 0.68   0.005% *  4.7338% (0.83   0.02   0.02) =   0.006%
          QB    ALA   84 - HN    ALA   34  17.47 +/- 0.34   0.007% *  3.4374% (0.61   0.02   0.02) =   0.006%
          HB3   ASP-  44 - HN    ALA   34  15.27 +/- 0.31   0.017% *  1.4132% (0.25   0.02   0.02) =   0.006%
          HG3   LYS+ 106 - HN    LEU   80  19.96 +/- 1.13   0.004% *  5.0648% (0.89   0.02   0.02) =   0.005%
          HG    LEU   98 - HN    LEU   80  18.29 +/- 1.07   0.006% *  2.4708% (0.44   0.02   0.02) =   0.004%
          HB2   LEU   63 - HN    ALA   34  16.24 +/- 0.54   0.012% *  0.9925% (0.17   0.02   0.02) =   0.003%
          QB    LEU   98 - HN    LEU   80  17.30 +/- 0.67   0.008% *  0.8890% (0.16   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HN    LEU   80  22.46 +/- 0.54   0.002% *  4.2399% (0.75   0.02   0.02) =   0.002%
          HB3   PRO   93 - HN    ALA   34  21.91 +/- 0.87   0.002% *  3.6662% (0.65   0.02   0.02) =   0.002%
          QB    ALA  124 - HN    ALA   34  20.82 +/- 1.10   0.003% *  2.1270% (0.37   0.02   0.02) =   0.001%
          QB    ALA   12 - HN    LEU   80  22.50 +/- 2.60   0.002% *  1.9051% (0.34   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    LEU   80  25.24 +/- 0.63   0.001% *  4.8988% (0.86   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    LEU   80  26.21 +/- 1.14   0.001% *  4.6858% (0.82   0.02   0.02) =   0.001%
          HB2   LEU   63 - HN    LEU   80  20.27 +/- 0.57   0.003% *  0.8890% (0.16   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    ALA   34  28.28 +/- 0.50   0.000% *  5.4694% (0.96   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LEU   80  28.24 +/- 0.70   0.000% *  1.9051% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 11 structures by 0.27 A, eliminated.
    Peak unassigned.
 
    Peak 1295 (1.87, 8.08, 121.56 ppm):
    26 chemical-shift based assignments, quality = 0.724, support = 5.44, residual support = 37.6:
          QB    LYS+  33 - HN    ALA   34   2.68 +/- 0.20  97.090% * 92.4776% (0.72   5.44  37.65) =  99.989%  kept
          HB3   GLN   30 - HN    ALA   34   5.46 +/- 0.23   1.485% *  0.3214% (0.69   0.02   1.16) =   0.005%
          QB    LYS+  81 - HN    LEU   80   5.60 +/- 0.15   1.298% *  0.3636% (0.78   0.02  34.22) =   0.005%
          HB3   LYS+  38 - HN    ALA   34   9.06 +/- 0.49   0.079% *  0.4059% (0.87   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  12.40 +/- 0.44   0.011% *  0.2879% (0.61   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   80  12.78 +/- 0.48   0.009% *  0.3356% (0.72   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  13.81 +/- 2.48   0.009% *  0.2205% (0.47   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  16.18 +/- 0.53   0.002% *  0.4197% (0.89   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  15.13 +/- 0.75   0.004% *  0.2462% (0.52   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  15.88 +/- 0.43   0.003% *  0.3043% (0.65   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  16.60 +/- 0.45   0.002% *  0.2838% (0.61   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  16.37 +/- 0.50   0.002% *  0.2278% (0.49   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  18.46 +/- 0.62   0.001% *  0.4045% (0.86   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  18.23 +/- 0.67   0.001% *  0.3759% (0.80   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  18.17 +/- 1.28   0.001% *  0.2373% (0.51   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  19.90 +/- 0.40   0.001% *  0.4059% (0.87   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  23.04 +/- 0.54   0.000% *  0.4516% (0.96   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  22.15 +/- 1.79   0.000% *  0.2462% (0.52   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  22.16 +/- 0.76   0.000% *  0.2205% (0.47   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  23.33 +/- 0.58   0.000% *  0.2542% (0.54   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  25.61 +/- 1.05   0.000% *  0.3636% (0.78   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  26.13 +/- 0.65   0.000% *  0.3747% (0.80   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  25.85 +/- 0.92   0.000% *  0.2649% (0.56   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  23.25 +/- 0.49   0.000% *  0.1430% (0.30   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  24.05 +/- 0.33   0.000% *  0.1596% (0.34   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  27.30 +/- 0.48   0.000% *  0.2040% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1296 (4.83, 8.09, 121.65 ppm):
    10 chemical-shift based assignments, quality = 0.495, support = 7.65, residual support = 82.4:
      O   HA    LEU   80 - HN    LEU   80   2.30 +/- 0.03  96.610% * 57.2205% (0.50   7.69  82.86) =  99.481%  kept
          HA    THR   23 - HN    LEU   80   4.09 +/- 0.11   3.097% *  7.8865% (0.85   0.62   4.93) =   0.439%
          HA    ASP-  78 - HN    LEU   80   6.94 +/- 0.06   0.130% * 34.0424% (0.94   2.41   0.64) =   0.080%
          HB    THR   23 - HN    LEU   80   6.70 +/- 0.10   0.160% *  0.1062% (0.36   0.02   4.93) =   0.000%
          HA    THR   23 - HN    ALA   34  15.47 +/- 0.23   0.001% *  0.2098% (0.70   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ALA   34  14.92 +/- 0.28   0.001% *  0.0878% (0.29   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ALA   34  17.27 +/- 0.42   0.001% *  0.1230% (0.41   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  22.83 +/- 0.23   0.000% *  0.2334% (0.78   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ALA   34  17.64 +/- 0.52   0.000% *  0.0410% (0.14   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LEU   80  23.91 +/- 0.55   0.000% *  0.0495% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 5.32, residual support = 47.2:
      O   HA    GLU-  79 - HN    LEU   80   3.06 +/- 0.11  99.354% * 95.9382% (0.76   5.32  47.25) =  99.998%  kept
          HA    THR   39 - HN    ALA   34   8.13 +/- 0.43   0.335% *  0.3232% (0.68   0.02   3.42) =   0.001%
          HB    THR   77 - HN    LEU   80   8.88 +/- 0.22   0.178% *  0.1391% (0.29   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   80  10.13 +/- 0.13   0.078% *  0.1391% (0.29   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   34  12.78 +/- 0.67   0.021% *  0.1532% (0.32   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   80  16.86 +/- 0.51   0.004% *  0.4417% (0.93   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   80  13.63 +/- 0.37   0.014% *  0.1124% (0.24   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   80  18.94 +/- 0.45   0.002% *  0.4262% (0.89   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   34  15.07 +/- 0.21   0.007% *  0.0929% (0.20   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ALA   34  20.39 +/- 0.34   0.001% *  0.3652% (0.77   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   34  20.36 +/- 0.38   0.001% *  0.2983% (0.63   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU   80  24.05 +/- 0.66   0.000% *  0.3909% (0.82   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    LEU   80  21.27 +/- 0.68   0.001% *  0.1852% (0.39   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   34  20.63 +/- 3.30   0.002% *  0.0829% (0.17   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   34  21.44 +/- 0.42   0.001% *  0.1150% (0.24   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   34  23.95 +/- 0.47   0.000% *  0.1150% (0.24   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA   34  29.49 +/- 0.47   0.000% *  0.3524% (0.74   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   34  25.42 +/- 0.49   0.000% *  0.1036% (0.22   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   80  29.35 +/- 3.06   0.000% *  0.1003% (0.21   0.02   0.02) =   0.000%
          HA    SER  117 - HN    LEU   80  29.35 +/- 0.39   0.000% *  0.1253% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1298 (2.15, 8.09, 121.65 ppm):
    12 chemical-shift based assignments, quality = 0.79, support = 5.36, residual support = 47.2:
          HB3   GLU-  79 - HN    LEU   80   1.95 +/- 0.33  99.493% * 96.6315% (0.79   5.36  47.25) =  99.998%  kept
          QB    GLU-  36 - HN    ALA   34   5.40 +/- 0.23   0.415% *  0.3203% (0.70   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    ALA   34   8.02 +/- 0.36   0.048% *  0.3564% (0.78   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   34   9.79 +/- 0.35   0.013% *  0.2730% (0.60   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ALA   34   8.71 +/- 0.76   0.025% *  0.1102% (0.24   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  12.24 +/- 0.63   0.003% *  0.3988% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  13.39 +/- 0.65   0.002% *  0.3301% (0.72   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  14.25 +/- 0.46   0.001% *  0.4310% (0.94   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  17.61 +/- 0.39   0.000% *  0.2983% (0.65   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  19.88 +/- 0.29   0.000% *  0.3874% (0.85   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  26.32 +/- 0.54   0.000% *  0.3297% (0.72   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LEU   80  25.71 +/- 1.33   0.000% *  0.1333% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1300 (8.37, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.799, support = 3.81, residual support = 17.9:
        T HN    ASN   35 - HN    ALA   34   2.55 +/- 0.07  99.993% * 97.7948% (0.80   3.81  17.92) = 100.000%  kept
          HN    PHE   97 - HN    ALA   34  13.69 +/- 0.46   0.004% *  0.1427% (0.22   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  19.77 +/- 2.93   0.001% *  0.6353% (0.99   0.02   0.02) =   0.000%
        T HN    ASN   35 - HN    LEU   80  18.95 +/- 0.35   0.001% *  0.4597% (0.72   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  19.10 +/- 0.53   0.001% *  0.1278% (0.20   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  28.25 +/- 2.44   0.000% *  0.5691% (0.89   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  24.48 +/- 0.47   0.000% *  0.1427% (0.22   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  24.35 +/- 0.43   0.000% *  0.1278% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 5.04, residual support = 34.2:
          HN    LYS+  81 - HN    LEU   80   3.35 +/- 0.15  99.343% * 98.3159% (0.89   5.04  34.22) =  99.999%  kept
          HE3   TRP   27 - HN    LEU   80   8.60 +/- 0.50   0.379% *  0.0871% (0.20   0.02  15.20) =   0.000%
          HE3   TRP   27 - HN    ALA   34   9.32 +/- 0.27   0.226% *  0.0973% (0.22   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  13.65 +/- 0.26   0.022% *  0.3498% (0.80   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    LEU   80  14.11 +/- 0.44   0.019% *  0.3133% (0.72   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  19.81 +/- 0.40   0.002% *  0.4359% (1.00   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  17.48 +/- 0.37   0.005% *  0.1348% (0.31   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    LEU   80  20.24 +/- 0.71   0.002% *  0.0685% (0.16   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  23.76 +/- 0.38   0.001% *  0.1208% (0.28   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   34  24.78 +/- 0.52   0.001% *  0.0765% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 0.7, support = 1.42, residual support = 1.42:
          HA    GLN   30 - HN    ALA   34   4.36 +/- 0.27  53.855% * 39.6115% (0.80   1.41   1.16) =  67.541%  kept
          HB3   SER   37 - HN    ALA   34   4.81 +/- 0.30  31.227% * 22.6942% (0.45   1.44   1.33) =  22.437%  kept
          HB    THR   39 - HN    ALA   34   6.07 +/- 0.90   9.809% * 31.9751% (0.61   1.50   3.42) =   9.930%  kept
          HB3   SER   82 - HN    LEU   80   6.57 +/- 0.35   4.765% *  0.5812% (0.82   0.02   0.20) =   0.088%
          HA    ILE   89 - HN    LEU   80  11.30 +/- 0.36   0.177% *  0.2823% (0.40   0.02   0.02) =   0.002%
          QB    SER   13 - HN    ALA   34  15.28 +/- 2.33   0.052% *  0.4547% (0.65   0.02   0.02) =   0.001%
          HA    GLN   30 - HN    LEU   80  14.84 +/- 0.32   0.034% *  0.5041% (0.72   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    ALA   34  17.43 +/- 0.55   0.013% *  0.6489% (0.92   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   80  17.36 +/- 0.68   0.014% *  0.5461% (0.78   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   80  15.07 +/- 0.59   0.032% *  0.2363% (0.34   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LEU   80  22.12 +/- 0.79   0.003% *  0.3819% (0.54   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   80  22.74 +/- 1.26   0.003% *  0.4073% (0.58   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LEU   80  22.07 +/- 0.63   0.003% *  0.2823% (0.40   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ALA   34  22.80 +/- 1.09   0.003% *  0.3151% (0.45   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ALA   34  27.44 +/- 0.78   0.001% *  0.6097% (0.87   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    ALA   34  24.01 +/- 0.54   0.002% *  0.2638% (0.37   0.02   0.02) =   0.000%
          HB    THR  118 - HN    ALA   34  20.73 +/- 0.47   0.005% *  0.1085% (0.15   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   80  23.72 +/- 0.40   0.002% *  0.0971% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1303 (3.60, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.762, support = 1.34, residual support = 3.88:
          HA    LEU   31 - HN    ALA   34   3.39 +/- 0.11  98.158% * 97.3401% (0.76   1.34   3.88) =  99.988%  kept
          HA    THR   77 - HN    LEU   80   6.64 +/- 0.27   1.824% *  0.6405% (0.34   0.02   0.02) =   0.012%
          HA    LEU   31 - HN    LEU   80  14.91 +/- 0.39   0.014% *  1.3043% (0.68   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  19.28 +/- 0.35   0.003% *  0.7151% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.235, support = 1.09, residual support = 4.04:
          HA    THR   23 - HN    LEU   80   4.09 +/- 0.11  90.031% *  8.8002% (0.18   0.62   4.93) =  69.032%  kept
          HA    ASP-  78 - HN    LEU   80   6.94 +/- 0.06   3.839% * 77.3494% (0.40   2.41   0.64) =  25.874%  kept
          HA    VAL   41 - HN    ALA   34   6.55 +/- 0.23   5.520% * 10.4883% (0.17   0.75   9.40) =   5.044%  kept
          HA    PHE   45 - HN    LEU   80   9.65 +/- 0.31   0.537% *  0.9826% (0.61   0.02   0.02) =   0.046%
          HA    PHE   45 - HN    ALA   34  16.17 +/- 0.34   0.024% *  1.0970% (0.69   0.02   0.02) =   0.002%
          HA    THR   23 - HN    ALA   34  15.47 +/- 0.23   0.031% *  0.3160% (0.20   0.02   0.02) =   0.001%
          HA    VAL   41 - HN    LEU   80  17.70 +/- 0.46   0.014% *  0.2505% (0.16   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  22.83 +/- 0.23   0.003% *  0.7160% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1305 (2.91, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.612, support = 3.66, residual support = 24.6:
          QE    LYS+  33 - HN    ALA   34   4.80 +/- 0.49  48.899% * 41.8062% (0.52   4.70  37.65) =  64.646%  kept
          HB2   ASP-  76 - HN    LEU   80   4.85 +/- 0.32  43.630% * 20.6281% (0.75   1.63   0.83) =  28.461%  kept
          HB2   ASP-  78 - HN    LEU   80   6.75 +/- 0.53   6.085% * 35.7967% (0.88   2.41   0.64) =   6.888%  kept
          HB2   ASN   28 - HN    ALA   34   9.86 +/- 0.15   0.570% *  0.1392% (0.41   0.02   0.02) =   0.003%
          HB2   ASN   69 - HN    ALA   34  12.69 +/- 0.73   0.134% *  0.2458% (0.72   0.02   0.02) =   0.001%
          HB2   ASN   28 - HN    LEU   80  11.55 +/- 0.20   0.221% *  0.1246% (0.37   0.02   3.03) =   0.001%
          HB2   ASP-  86 - HN    LEU   80  10.62 +/- 0.47   0.382% *  0.0410% (0.12   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  17.78 +/- 0.47   0.017% *  0.2827% (0.83   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    LEU   80  16.69 +/- 1.17   0.026% *  0.1595% (0.47   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  18.44 +/- 1.46   0.015% *  0.0941% (0.28   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  22.32 +/- 0.49   0.004% *  0.3318% (0.98   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  21.68 +/- 1.06   0.005% *  0.0843% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  19.75 +/- 0.74   0.009% *  0.0458% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  26.41 +/- 0.64   0.002% *  0.2202% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1306 (2.33, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.435, support = 5.2, residual support = 47.2:
          HB2   GLU-  79 - HN    LEU   80   3.25 +/- 0.40  98.612% * 94.3633% (0.44   5.20  47.25) =  99.995%  kept
          HG3   GLU-  36 - HN    ALA   34   7.00 +/- 0.58   1.303% *  0.2839% (0.34   0.02   0.02) =   0.004%
          HG3   GLU-  25 - HN    LEU   80  11.85 +/- 0.22   0.049% *  0.7306% (0.88   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  15.17 +/- 0.37   0.011% *  0.8157% (0.98   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  15.15 +/- 1.57   0.013% *  0.2543% (0.30   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  19.15 +/- 0.76   0.003% *  0.6466% (0.78   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  18.58 +/- 0.61   0.003% *  0.4051% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  21.10 +/- 0.48   0.002% *  0.3421% (0.41   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  21.05 +/- 0.47   0.002% *  0.3064% (0.37   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  22.84 +/- 0.53   0.001% *  0.2797% (0.34   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  23.11 +/- 0.41   0.001% *  0.2543% (0.30   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  24.30 +/- 1.10   0.001% *  0.2839% (0.34   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  24.54 +/- 0.34   0.001% *  0.3123% (0.37   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  28.40 +/- 0.98   0.000% *  0.7219% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1307 (2.14, 8.08, 121.56 ppm):
    16 chemical-shift based assignments, quality = 0.775, support = 5.36, residual support = 47.2:
          HB3   GLU-  79 - HN    LEU   80   1.95 +/- 0.33  98.886% * 97.2418% (0.78   5.36  47.25) =  99.998%  kept
          QB    GLU-  36 - HN    ALA   34   5.40 +/- 0.23   0.397% *  0.3742% (0.80   0.02   0.02) =   0.002%
          QB    GLN   32 - HN    ALA   34   5.08 +/- 0.13   0.553% *  0.0818% (0.17   0.02   0.51) =   0.000%
          HB3   GLU-  29 - HN    ALA   34   8.02 +/- 0.36   0.046% *  0.2275% (0.49   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    LEU   80   6.76 +/- 0.32   0.094% *  0.0932% (0.20   0.02   9.64) =   0.000%
          HG3   GLU-  29 - HN    ALA   34   9.79 +/- 0.35   0.013% *  0.0818% (0.17   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    ALA   34  11.26 +/- 0.70   0.004% *  0.2275% (0.49   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  12.24 +/- 0.63   0.002% *  0.1292% (0.28   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  14.25 +/- 0.46   0.001% *  0.2037% (0.44   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  13.39 +/- 0.65   0.002% *  0.0733% (0.16   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  17.61 +/- 0.39   0.000% *  0.4054% (0.87   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    ALA   34  14.83 +/- 0.33   0.001% *  0.1040% (0.22   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  19.88 +/- 0.29   0.000% *  0.3352% (0.72   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    LEU   80  15.78 +/- 0.38   0.001% *  0.0733% (0.16   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    LEU   80  25.92 +/- 0.64   0.000% *  0.2037% (0.44   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  26.32 +/- 0.54   0.000% *  0.1442% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.673, support = 0.0197, residual support = 0.0197:
          QG1   VAL   75 - HN    LEU   80   5.71 +/- 0.75  98.656% * 21.3996% (0.68   0.02   0.02) =  98.475%  kept
          QG1   VAL   75 - HN    ALA   34  12.63 +/- 0.34   1.165% * 23.8922% (0.76   0.02   0.02) =   1.299%
          QD1   LEU  115 - HN    LEU   80  18.77 +/- 0.71   0.101% * 25.8487% (0.82   0.02   0.02) =   0.122%
          QD1   LEU  115 - HN    ALA   34  19.62 +/- 0.33   0.078% * 28.8595% (0.92   0.02   0.02) =   0.105%
    Distance limit 4.61 A violated in 18 structures by 1.12 A, eliminated.
    Peak unassigned.
 
    Peak 1309 (0.57, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.294, support = 6.77, residual support = 78.3:
          QD2   LEU   80 - HN    LEU   80   3.88 +/- 0.09  26.450% * 56.4215% (0.40   6.87  82.86) =  48.163%  kept
          QD1   LEU   80 - HN    LEU   80   3.32 +/- 0.82  53.369% * 26.5253% (0.18   7.32  82.86) =  45.687%  kept
          QG2   VAL   41 - HN    ALA   34   4.48 +/- 0.45  13.524% * 13.9496% (0.34   2.00   9.40) =   6.088%  kept
          QD1   LEU   73 - HN    ALA   34   5.12 +/- 0.16   5.197% *  0.3416% (0.83   0.02   0.02) =   0.057%
          QD2   LEU   98 - HN    ALA   34   7.01 +/- 0.83   1.195% *  0.0809% (0.20   0.02   0.02) =   0.003%
          QD1   LEU   73 - HN    LEU   80   9.92 +/- 0.38   0.091% *  0.3059% (0.75   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    ALA   34  11.30 +/- 0.22   0.043% *  0.1833% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   34  11.05 +/- 0.43   0.052% *  0.1020% (0.25   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  13.71 +/- 0.51   0.014% *  0.3416% (0.83   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  14.24 +/- 0.83   0.011% *  0.3668% (0.89   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   80  12.92 +/- 0.40   0.019% *  0.1249% (0.30   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   34  13.27 +/- 0.54   0.015% *  0.0809% (0.20   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  17.07 +/- 0.53   0.003% *  0.3059% (0.75   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   80  14.19 +/- 0.75   0.010% *  0.0725% (0.18   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  19.22 +/- 0.53   0.002% *  0.3285% (0.80   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  19.02 +/- 0.68   0.002% *  0.1991% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  20.02 +/- 0.60   0.001% *  0.1783% (0.44   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  20.91 +/- 0.51   0.001% *  0.0913% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.584, support = 0.0193, residual support = 0.0193:
          QD2   LEU  123 - HN    ALA   34  19.18 +/- 0.82  14.902% * 31.5414% (1.00   0.02   0.02) =  38.822%  kept
          HB3   LEU  104 - HN    ALA   34  14.89 +/- 0.48  66.430% *  7.0378% (0.22   0.02   0.02) =  38.616%  kept
          HG3   LYS+ 121 - HN    ALA   34  20.12 +/- 0.72  11.065% * 14.1725% (0.45   0.02   0.02) =  12.952%  kept
          QD2   LEU  123 - HN    LEU   80  25.68 +/- 0.66   2.581% * 28.2508% (0.89   0.02   0.02) =   6.024%  kept
          HG3   LYS+ 121 - HN    LEU   80  27.15 +/- 0.54   1.839% * 12.6939% (0.40   0.02   0.02) =   1.929%
          HB3   LEU  104 - HN    LEU   80  24.78 +/- 0.52   3.184% *  6.3036% (0.20   0.02   0.02) =   1.658%
    Distance limit 4.45 A violated in 20 structures by 9.58 A, eliminated.
    Peak unassigned.
 
    Peak 1311 (1.87, 8.09, 121.65 ppm):
    26 chemical-shift based assignments, quality = 0.74, support = 5.44, residual support = 37.6:
          QB    LYS+  33 - HN    ALA   34   2.68 +/- 0.20  97.090% * 92.8465% (0.74   5.44  37.65) =  99.991%  kept
          QB    LYS+  81 - HN    LEU   80   5.60 +/- 0.15   1.298% *  0.4352% (0.94   0.02  34.22) =   0.006%
          HB3   GLN   30 - HN    ALA   34   5.46 +/- 0.23   1.485% *  0.1483% (0.32   0.02   1.16) =   0.002%
          HB3   LYS+  38 - HN    ALA   34   9.06 +/- 0.49   0.079% *  0.2187% (0.47   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   80  12.78 +/- 0.48   0.009% *  0.4275% (0.93   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  12.40 +/- 0.44   0.011% *  0.1793% (0.39   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  13.81 +/- 2.48   0.009% *  0.1213% (0.26   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  15.88 +/- 0.43   0.003% *  0.4126% (0.89   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  15.13 +/- 0.75   0.004% *  0.2888% (0.63   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  16.18 +/- 0.53   0.002% *  0.3606% (0.78   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  16.60 +/- 0.45   0.002% *  0.3128% (0.68   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  16.37 +/- 0.50   0.002% *  0.2756% (0.60   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  18.23 +/- 0.67   0.001% *  0.4362% (0.95   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  18.17 +/- 1.28   0.001% *  0.3643% (0.79   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  18.46 +/- 0.62   0.001% *  0.3333% (0.72   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  19.90 +/- 0.40   0.001% *  0.3598% (0.78   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  22.16 +/- 0.76   0.000% *  0.3493% (0.76   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  23.33 +/- 0.58   0.000% *  0.3783% (0.82   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  23.04 +/- 0.54   0.000% *  0.2756% (0.60   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  26.13 +/- 0.65   0.000% *  0.3535% (0.77   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  25.85 +/- 0.92   0.000% *  0.3012% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  25.61 +/- 1.05   0.000% *  0.2646% (0.57   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  22.15 +/- 1.79   0.000% *  0.1003% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  27.30 +/- 0.48   0.000% *  0.3333% (0.72   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  23.25 +/- 0.49   0.000% *  0.0673% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  24.05 +/- 0.33   0.000% *  0.0556% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1312 (1.29, 8.09, 121.65 ppm):
    12 chemical-shift based assignments, quality = 0.241, support = 3.53, residual support = 24.3:
      O   QB    ALA   34 - HN    ALA   34   2.05 +/- 0.09  99.037% * 91.2759% (0.24   3.53  24.30) =  99.986%  kept
          QG2   THR   23 - HN    LEU   80   4.57 +/- 0.19   0.890% *  1.3106% (0.61   0.02   4.93) =   0.013%
          QG2   THR   77 - HN    LEU   80   7.72 +/- 0.25   0.038% *  1.6223% (0.76   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    ALA   34   8.12 +/- 0.38   0.029% *  0.2585% (0.12   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LEU   80  11.48 +/- 0.20   0.003% *  0.8329% (0.39   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  14.11 +/- 0.24   0.001% *  1.0837% (0.51   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  16.45 +/- 0.42   0.000% *  1.3413% (0.63   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  14.89 +/- 0.44   0.001% *  0.6253% (0.29   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  13.87 +/- 0.39   0.001% *  0.3548% (0.17   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  17.24 +/- 0.54   0.000% *  0.2934% (0.14   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    ALA   34  22.13 +/- 0.71   0.000% *  0.6887% (0.32   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   80  24.95 +/- 0.89   0.000% *  0.3126% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 0.51, support = 6.61, residual support = 82.9:
      O   HB2   LEU   80 - HN    LEU   80   3.58 +/- 0.14  73.357% * 24.2126% (0.26   6.50  82.86) =  50.128%  kept
          HG    LEU   80 - HN    LEU   80   4.54 +/- 0.63  24.527% * 72.0339% (0.76   6.72  82.86) =  49.863%  kept
          HG    LEU   73 - HN    ALA   34   6.92 +/- 0.16   1.369% *  0.1850% (0.65   0.02   0.02) =   0.007%
          HG12  ILE   19 - HN    ALA   34   9.55 +/- 0.93   0.232% *  0.1521% (0.54   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    ALA   34  10.09 +/- 0.97   0.166% *  0.0755% (0.27   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   34  13.00 +/- 0.52   0.032% *  0.2210% (0.78   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   80   9.98 +/- 0.42   0.156% *  0.0413% (0.15   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   80  13.36 +/- 0.37   0.027% *  0.2237% (0.79   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   34  14.01 +/- 0.98   0.023% *  0.1608% (0.57   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   80  14.60 +/- 0.33   0.016% *  0.1840% (0.65   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   34  15.06 +/- 0.55   0.013% *  0.1773% (0.63   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   80  15.96 +/- 0.30   0.009% *  0.2047% (0.72   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   80  16.63 +/- 0.39   0.007% *  0.2534% (0.89   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA   34  16.83 +/- 0.36   0.007% *  0.2095% (0.74   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   34  14.57 +/- 0.73   0.017% *  0.0552% (0.20   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA   34  18.21 +/- 0.32   0.004% *  0.2137% (0.75   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   34  14.10 +/- 0.27   0.019% *  0.0342% (0.12   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   34  16.35 +/- 0.40   0.008% *  0.0616% (0.22   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   34  20.70 +/- 0.34   0.002% *  0.1693% (0.60   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   80  22.99 +/- 0.63   0.001% *  0.2673% (0.94   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   80  23.74 +/- 0.62   0.001% *  0.2585% (0.91   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU   80  21.21 +/- 1.07   0.002% *  0.0914% (0.32   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   80  22.16 +/- 0.71   0.001% *  0.0914% (0.32   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   80  25.74 +/- 1.07   0.001% *  0.1945% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   34  22.07 +/- 1.00   0.001% *  0.0755% (0.27   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   34  20.75 +/- 1.30   0.002% *  0.0388% (0.14   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU   80  23.85 +/- 0.96   0.001% *  0.0668% (0.24   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   80  27.22 +/- 1.12   0.000% *  0.0469% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1314 (0.76, 8.09, 121.65 ppm):
    18 chemical-shift based assignments, quality = 0.75, support = 0.774, residual support = 8.82:
          QG1   VAL   41 - HN    ALA   34   4.46 +/- 0.11  69.435% * 46.5596% (0.78   0.75   9.40) =  89.738%  kept
          HG    LEU   31 - HN    ALA   34   6.42 +/- 0.38   8.542% * 41.4934% (0.51   1.03   3.88) =   9.838%  kept
          QD2   LEU   73 - HN    ALA   34   5.98 +/- 0.49  13.199% *  0.6057% (0.38   0.02   0.02) =   0.222%
          QG1   VAL   43 - HN    ALA   34   7.52 +/- 0.59   3.294% *  1.1487% (0.72   0.02   0.02) =   0.105%
          QG2   THR   46 - HN    LEU   80   8.73 +/- 0.48   1.330% *  0.9128% (0.57   0.02   0.02) =   0.034%
          QD1   ILE   19 - HN    ALA   34   7.82 +/- 0.37   2.464% *  0.3460% (0.22   0.02   0.02) =   0.024%
          QG1   VAL   43 - HN    LEU   80  10.92 +/- 0.38   0.332% *  1.3893% (0.87   0.02   0.02) =   0.013%
          QD2   LEU   73 - HN    LEU   80  11.22 +/- 0.42   0.284% *  0.7326% (0.46   0.02   0.02) =   0.006%
          HG    LEU   31 - HN    LEU   80  12.27 +/- 0.83   0.172% *  0.9736% (0.61   0.02   0.02) =   0.005%
          QG2   VAL   18 - HN    LEU   80  12.62 +/- 0.48   0.138% *  1.0929% (0.69   0.02   0.02) =   0.004%
          QG2   VAL   18 - HN    ALA   34  12.30 +/- 0.44   0.161% *  0.9036% (0.57   0.02   0.02) =   0.004%
          QD1   ILE   19 - HN    LEU   80  11.13 +/- 0.59   0.304% *  0.4184% (0.26   0.02   0.02) =   0.004%
          QG1   VAL   41 - HN    LEU   80  15.17 +/- 0.49   0.046% *  1.5017% (0.94   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    ALA   34  11.70 +/- 0.54   0.226% *  0.2179% (0.14   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ALA   34  15.43 +/- 0.34   0.041% *  0.7547% (0.47   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LEU   80  17.52 +/- 0.39   0.019% *  0.3753% (0.24   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    ALA   34  19.81 +/- 0.37   0.009% *  0.3103% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   80  21.24 +/- 0.53   0.006% *  0.2636% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1315 (0.59, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.848, support = 6.87, residual support = 82.8:
          QD2   LEU   80 - HN    LEU   80   3.88 +/- 0.09  77.544% * 97.3037% (0.85   6.87  82.86) =  99.940%  kept
          QD1   LEU   73 - HN    ALA   34   5.12 +/- 0.16  14.979% *  0.2559% (0.77   0.02   0.02) =   0.051%
          QG1   VAL   83 - HN    LEU   80   5.93 +/- 0.37   6.738% *  0.0787% (0.24   0.02   0.02) =   0.007%
          QD1   LEU   73 - HN    LEU   80   9.92 +/- 0.38   0.289% *  0.3095% (0.93   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    ALA   34  11.30 +/- 0.22   0.129% *  0.2342% (0.70   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   34  11.05 +/- 0.43   0.150% *  0.1793% (0.54   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  13.71 +/- 0.51   0.041% *  0.2559% (0.77   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   34  12.70 +/- 0.59   0.067% *  0.0651% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  14.24 +/- 0.83   0.034% *  0.1171% (0.35   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  17.07 +/- 0.53   0.011% *  0.3095% (0.93   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  19.02 +/- 0.68   0.006% *  0.2410% (0.72   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  20.02 +/- 0.60   0.004% *  0.2915% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  19.22 +/- 0.53   0.005% *  0.1416% (0.42   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  20.91 +/- 0.51   0.003% *  0.2169% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1316 (0.46, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.456, support = 0.0198, residual support = 0.0198:
          QG1   VAL   75 - HN    LEU   80   5.71 +/- 0.75  98.656% * 33.4988% (0.46   0.02   0.02) =  98.929%  kept
          QG1   VAL   75 - HN    ALA   34  12.63 +/- 0.34   1.165% * 27.6972% (0.38   0.02   0.02) =   0.966%
          QD1   LEU  115 - HN    LEU   80  18.77 +/- 0.71   0.101% * 21.2414% (0.29   0.02   0.02) =   0.064%
          QD1   LEU  115 - HN    ALA   34  19.62 +/- 0.33   0.078% * 17.5626% (0.24   0.02   0.02) =   0.041%
    Distance limit 4.42 A violated in 18 structures by 1.31 A, eliminated.
    Peak unassigned.
 
    Peak 1317 (4.12, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.626, support = 3.35, residual support = 24.3:
      O   HA    ALA   34 - HN    ALA   34   2.81 +/- 0.02  96.979% * 91.5023% (0.63   3.35  24.30) =  99.991%  kept
          HA    LYS+  81 - HN    LEU   80   5.31 +/- 0.05   2.146% *  0.2550% (0.29   0.02  34.22) =   0.006%
          HA    ASN   28 - HN    ALA   34   7.57 +/- 0.15   0.257% *  0.6462% (0.74   0.02   0.02) =   0.002%
          HA    GLU-  36 - HN    ALA   34   6.93 +/- 0.08   0.437% *  0.1521% (0.17   0.02   0.02) =   0.001%
          HA1   GLY  101 - HN    ALA   34   9.50 +/- 1.42   0.093% *  0.4143% (0.47   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU   80  12.01 +/- 0.21   0.016% *  0.7816% (0.89   0.02   3.03) =   0.000%
          HA    THR   26 - HN    ALA   34  10.38 +/- 0.32   0.039% *  0.1196% (0.14   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU   80  11.00 +/- 0.22   0.028% *  0.1447% (0.17   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   80  18.18 +/- 1.05   0.001% *  0.6901% (0.79   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  19.81 +/- 0.52   0.001% *  0.6616% (0.76   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  21.99 +/- 0.47   0.000% *  0.6306% (0.72   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  21.59 +/- 1.51   0.001% *  0.5011% (0.57   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  23.28 +/- 0.48   0.000% *  0.7627% (0.87   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  24.62 +/- 0.60   0.000% *  0.5706% (0.65   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  21.20 +/- 0.31   0.001% *  0.2108% (0.24   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  24.57 +/- 0.81   0.000% *  0.4961% (0.57   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  23.52 +/- 0.29   0.000% *  0.1839% (0.21   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  25.87 +/- 0.62   0.000% *  0.3063% (0.35   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  26.98 +/- 0.52   0.000% *  0.3704% (0.42   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  33.92 +/- 0.69   0.000% *  0.6000% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1318 (3.60, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.598, support = 1.34, residual support = 3.87:
          HA    LEU   31 - HN    ALA   34   3.39 +/- 0.11  98.158% * 96.6814% (0.60   1.34   3.88) =  99.983%  kept
          HA    THR   77 - HN    LEU   80   6.64 +/- 0.27   1.824% *  0.8591% (0.36   0.02   0.02) =   0.017%
          HA    LEU   31 - HN    LEU   80  14.91 +/- 0.39   0.014% *  1.7493% (0.72   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  19.28 +/- 0.35   0.003% *  0.7103% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.616, support = 3.88, residual support = 27.2:
          QE    LYS+  33 - HN    ALA   34   4.80 +/- 0.49  48.899% * 46.1584% (0.60   4.70  37.65) =  71.616%  kept
          HB2   ASP-  76 - HN    LEU   80   4.85 +/- 0.32  43.630% * 15.3745% (0.57   1.63   0.83) =  21.284%  kept
          HB2   ASP-  78 - HN    LEU   80   6.75 +/- 0.53   6.085% * 36.7418% (0.93   2.41   0.64) =   7.094%  kept
          HB2   ASN   28 - HN    ALA   34   9.86 +/- 0.15   0.570% *  0.1664% (0.51   0.02   0.02) =   0.003%
          HB2   ASN   28 - HN    LEU   80  11.55 +/- 0.20   0.221% *  0.2013% (0.61   0.02   3.03) =   0.001%
          HB2   ASP-  86 - HN    LEU   80  10.62 +/- 0.47   0.382% *  0.0865% (0.26   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    ALA   34  12.69 +/- 0.73   0.134% *  0.1252% (0.38   0.02   0.02) =   0.001%
          QE    LYS+  33 - HN    LEU   80  16.69 +/- 1.17   0.026% *  0.2378% (0.72   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  17.78 +/- 0.47   0.017% *  0.1561% (0.47   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  18.44 +/- 1.46   0.015% *  0.1252% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  22.32 +/- 0.49   0.004% *  0.2522% (0.77   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  21.68 +/- 1.06   0.005% *  0.1515% (0.46   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  19.75 +/- 0.74   0.009% *  0.0715% (0.22   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  26.41 +/- 0.64   0.002% *  0.1515% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1320 (2.33, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.46, support = 5.2, residual support = 47.2:
          HB2   GLU-  79 - HN    LEU   80   3.25 +/- 0.40  98.612% * 95.1446% (0.46   5.20  47.25) =  99.997%  kept
          HG3   GLU-  36 - HN    ALA   34   7.00 +/- 0.58   1.303% *  0.2120% (0.27   0.02   0.02) =   0.003%
          HG3   GLU-  25 - HN    LEU   80  11.85 +/- 0.22   0.049% *  0.7367% (0.93   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  15.17 +/- 0.37   0.011% *  0.6091% (0.77   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  15.15 +/- 1.57   0.013% *  0.2564% (0.32   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  19.15 +/- 0.76   0.003% *  0.6519% (0.82   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  18.58 +/- 0.61   0.003% *  0.3025% (0.38   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  21.05 +/- 0.47   0.002% *  0.3090% (0.39   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  21.10 +/- 0.48   0.002% *  0.2555% (0.32   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  22.84 +/- 0.53   0.001% *  0.2821% (0.36   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  23.11 +/- 0.41   0.001% *  0.2564% (0.32   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  24.30 +/- 1.10   0.001% *  0.2120% (0.27   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  24.54 +/- 0.34   0.001% *  0.2332% (0.29   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  28.40 +/- 0.98   0.000% *  0.5390% (0.68   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1321 (4.01, 8.09, 121.65 ppm):
    22 chemical-shift based assignments, quality = 0.754, support = 6.15, residual support = 35.8:
      O   HA    LYS+  33 - HN    ALA   34   3.62 +/- 0.01  73.959% * 79.7696% (0.78   6.23  37.65) =  95.103%  kept
          HA    GLN   32 - HN    ALA   34   4.58 +/- 0.13  18.259% * 16.5767% (0.22   4.65   0.51) =   4.879%  kept
          HB2   SER   82 - HN    LEU   80   7.03 +/- 0.76   1.758% *  0.2779% (0.85   0.02   0.20) =   0.008%
          HA    GLU-  29 - HN    ALA   34   7.31 +/- 0.33   1.140% *  0.2473% (0.75   0.02   0.02) =   0.005%
          HB2   SER   37 - HN    ALA   34   6.07 +/- 0.63   4.247% *  0.0570% (0.17   0.02   1.33) =   0.004%
          HA    VAL   70 - HN    ALA   34   8.94 +/- 0.36   0.340% *  0.2223% (0.68   0.02   0.02) =   0.001%
          HA    VAL   18 - HN    ALA   34  11.61 +/- 0.28   0.069% *  0.2424% (0.74   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   80  11.09 +/- 0.61   0.098% *  0.1630% (0.50   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  11.35 +/- 0.22   0.079% *  0.0956% (0.29   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  14.63 +/- 0.26   0.017% *  0.2991% (0.91   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  15.64 +/- 0.30   0.012% *  0.2931% (0.89   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  18.01 +/- 0.48   0.005% *  0.2298% (0.70   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  19.58 +/- 0.29   0.003% *  0.3099% (0.95   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  18.12 +/- 0.28   0.005% *  0.0862% (0.26   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  21.96 +/- 0.36   0.001% *  0.2688% (0.82   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  18.19 +/- 0.94   0.005% *  0.0478% (0.15   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  24.61 +/- 0.56   0.001% *  0.2223% (0.68   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  23.61 +/- 0.51   0.001% *  0.1348% (0.41   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  26.78 +/- 0.57   0.000% *  0.2688% (0.82   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  23.19 +/- 0.73   0.001% *  0.0690% (0.21   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  24.75 +/- 0.71   0.001% *  0.0791% (0.24   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  28.26 +/- 1.19   0.000% *  0.0395% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 0.322, support = 0.0194, residual support = 0.657:
          HN    GLN   30 - HN    ALA   34   6.19 +/- 0.21  77.267% *  5.3388% (0.17   0.02   1.16) =  56.107%  kept
          HN    GLU-  29 - HN    ALA   34   8.35 +/- 0.22  12.781% * 18.4898% (0.61   0.02   0.02) =  32.143%  kept
          HN    ASP-  86 - HN    LEU   80   9.38 +/- 0.12   6.454% *  6.0789% (0.20   0.02   0.02) =   5.336%  kept
          HN    GLU-  29 - HN    LEU   80  11.92 +/- 0.26   1.552% * 16.5608% (0.54   0.02   0.02) =   3.496%  kept
          HN    VAL   18 - HN    ALA   34  14.31 +/- 0.34   0.521% * 22.1363% (0.72   0.02   0.02) =   1.567%
          HN    GLN   30 - HN    LEU   80  12.47 +/- 0.25   1.173% *  4.7818% (0.16   0.02   0.02) =   0.763%
          HN    VAL   18 - HN    LEU   80  16.72 +/- 0.39   0.200% * 19.8269% (0.65   0.02   0.02) =   0.539%
        T HN    ASP-  86 - HN    ALA   34  20.97 +/- 0.53   0.052% *  6.7869% (0.22   0.02   0.02) =   0.048%
    Distance limit 3.78 A violated in 20 structures by 2.16 A, eliminated.
    Peak unassigned.
 
    Peak 1323 (8.28, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.226, support = 0.0192, residual support = 0.603:
          HN    GLN   30 - HN    ALA   34   6.19 +/- 0.21  77.267% *  3.7410% (0.11   0.02   1.16) =  51.391%  kept
          HN    GLU-  29 - HN    ALA   34   8.35 +/- 0.22  12.781% * 14.5433% (0.41   0.02   0.02) =  33.048%  kept
          HN    ASP-  86 - HN    LEU   80   9.38 +/- 0.12   6.454% *  5.8551% (0.17   0.02   0.02) =   6.718%  kept
          HN    GLU-  29 - HN    LEU   80  11.92 +/- 0.26   1.552% * 17.5897% (0.50   0.02   0.02) =   4.854%  kept
          HN    VAL   18 - HN    ALA   34  14.31 +/- 0.34   0.521% * 22.1344% (0.63   0.02   0.02) =   2.049%
          HN    VAL   18 - HN    LEU   80  16.72 +/- 0.39   0.200% * 26.7708% (0.76   0.02   0.02) =   0.952%
          HN    GLN   30 - HN    LEU   80  12.47 +/- 0.25   1.173% *  4.5246% (0.13   0.02   0.02) =   0.943%
        T HN    ASP-  86 - HN    ALA   34  20.97 +/- 0.53   0.052% *  4.8411% (0.14   0.02   0.02) =   0.045%
    Distance limit 3.77 A violated in 20 structures by 2.18 A, eliminated.
    Peak unassigned.
 
    Peak 1325 (8.38, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.537, support = 3.81, residual support = 17.9:
        T HN    ASN   35 - HN    ALA   34   2.55 +/- 0.07  99.993% * 96.7479% (0.54   3.81  17.92) = 100.000%  kept
          HN    PHE   97 - HN    ALA   34  13.69 +/- 0.46   0.004% *  0.2282% (0.24   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ALA   34  19.77 +/- 2.93   0.001% *  0.7376% (0.78   0.02   0.02) =   0.000%
        T HN    ASN   35 - HN    LEU   80  18.95 +/- 0.35   0.001% *  0.6142% (0.65   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  19.10 +/- 0.53   0.001% *  0.2760% (0.29   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  28.25 +/- 2.44   0.000% *  0.8921% (0.94   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  24.35 +/- 0.43   0.000% *  0.2760% (0.29   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  24.48 +/- 0.47   0.000% *  0.2282% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 5.04, residual support = 34.2:
          HN    LYS+  81 - HN    LEU   80   3.35 +/- 0.15  99.346% * 98.6207% (0.94   5.04  34.22) =  99.999%  kept
          HE3   TRP   27 - HN    LEU   80   8.60 +/- 0.50   0.379% *  0.0610% (0.15   0.02  15.20) =   0.000%
          HE3   TRP   27 - HN    ALA   34   9.32 +/- 0.27   0.226% *  0.0504% (0.12   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    LEU   80  14.11 +/- 0.44   0.019% *  0.3544% (0.85   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  13.65 +/- 0.26   0.022% *  0.2930% (0.70   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  19.81 +/- 0.40   0.002% *  0.3238% (0.78   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  17.48 +/- 0.37   0.005% *  0.1343% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  23.76 +/- 0.38   0.001% *  0.1624% (0.39   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 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        :    736
      with multiple volume contributions     :    236
      eliminated by violation filter         :     57
 
    Peaks:
      selected                               :   1103
      without assignment                     :     68
      with assignment                        :   1035
      with unique assignment                 :    821
      with multiple assignment               :    214
      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             :    906
 
    Atoms with eliminated volume contribution > 2.5:
    HN    ALA   34       3.5
    HN    ASP-  62       2.7
    HN    THR   94       3.0
 
    Peak 1 (4.29, 4.29, 56.56 ppm):
    2 diagonal assignments:
    *     HA    MET   11 - HA    MET   11  (1.00)  kept
          HA    GLU-  14 - HA    GLU-  14  (0.16)  kept
 
    Peak 4 (2.08, 4.29, 56.56 ppm):
    16 chemical-shift based assignments, quality = 0.605, support = 3.32, residual support = 46.7:
      O T HB2   GLU-  14 - HA    GLU-  14   2.78 +/- 0.19  86.303% * 21.9790% (0.39   2.96  47.34) =  64.874%  kept
    * O T HG2   MET   11 - HA    MET   11   3.91 +/- 0.32  13.526% * 75.9285% (1.00   4.00  45.58) =  35.125%  kept
        T HB2   GLU-  14 - HA    MET   11  10.13 +/- 1.66   0.078% *  0.3788% (1.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HA    GLU-  14  10.30 +/- 1.02   0.044% *  0.1490% (0.39   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  10.64 +/- 1.66   0.039% *  0.0414% (0.11   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  15.50 +/- 3.00   0.009% *  0.1056% (0.28   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  22.81 +/- 1.05   0.000% *  0.1460% (0.38   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  30.55 +/- 3.10   0.000% *  0.3721% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  24.86 +/- 1.34   0.000% *  0.0612% (0.16   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  28.65 +/- 1.05   0.000% *  0.1460% (0.38   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  36.69 +/- 2.88   0.000% *  0.3721% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  32.89 +/- 2.71   0.000% *  0.1561% (0.41   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  24.50 +/- 1.52   0.000% *  0.0261% (0.07   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  32.50 +/- 3.68   0.000% *  0.0665% (0.18   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU-  14  31.21 +/- 0.80   0.000% *  0.0202% (0.05   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    MET   11  38.46 +/- 2.31   0.000% *  0.0514% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.794, support = 3.66, residual support = 46.2:
    * O T HG3   MET   11 - HA    MET   11   3.24 +/- 0.64  36.051% * 77.2598% (1.00   4.00  45.58) =  67.295%  kept
      O T HB3   GLU-  14 - HA    GLU-  14   2.85 +/- 0.17  63.841% * 21.2028% (0.37   2.96  47.34) =  32.705%  kept
        T HB3   GLU-  14 - HA    MET   11  10.72 +/- 1.32   0.036% *  0.3654% (0.95   0.02   0.02) =   0.000%
        T HG3   MET   11 - HA    GLU-  14  10.17 +/- 1.18   0.066% *  0.1516% (0.39   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  14  15.16 +/- 1.05   0.003% *  0.0265% (0.07   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  18.10 +/- 1.39   0.001% *  0.0468% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   11  21.04 +/- 2.60   0.001% *  0.0677% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  23.02 +/- 3.08   0.000% *  0.1192% (0.31   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  21.31 +/- 1.06   0.000% *  0.0680% (0.18   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  23.08 +/- 0.91   0.000% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  28.91 +/- 3.18   0.000% *  0.1732% (0.45   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  29.99 +/- 2.28   0.000% *  0.2654% (0.69   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  28.44 +/- 1.28   0.000% *  0.0421% (0.11   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  36.09 +/- 2.77   0.000% *  0.1074% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.66 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 = 0.638, support = 3.52, residual support = 44.0:
    * O T HA    MET   11 - HG2   MET   11   3.91 +/- 0.32  12.888% * 64.8949% (1.00   4.00  45.58) =  54.176%  kept
      O T HA    GLU-  14 - HB2   GLU-  14   2.78 +/- 0.19  81.555% *  7.3859% (0.15   2.96  47.34) =  39.019%  kept
          HA    ALA   12 - HG2   MET   11   4.98 +/- 0.87   4.286% * 24.4990% (0.53   2.87  12.29) =   6.802%  kept
          HA    ALA   12 - HB2   GLU-  14   7.68 +/- 1.36   0.476% *  0.0639% (0.20   0.02   0.02) =   0.002%
        T HA    MET   11 - HB2   GLU-  14  10.13 +/- 1.66   0.071% *  0.1215% (0.37   0.02   0.02) =   0.001%
        T HA    GLU-  14 - HG2   MET   11  10.30 +/- 1.02   0.041% *  0.1334% (0.41   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ARG+  54   7.01 +/- 0.36   0.355% *  0.0118% (0.04   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ARG+  54   7.16 +/- 0.36   0.316% *  0.0048% (0.01   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.27 +/- 0.55   0.005% *  0.0313% (0.10   0.02   0.02) =   0.000%
          HA    THR   39 - HG2   MET   11  22.29 +/- 4.31   0.001% *  0.1579% (0.49   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  14  17.92 +/- 1.68   0.002% *  0.0591% (0.18   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.98 +/- 0.88   0.003% *  0.0308% (0.09   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  20.74 +/- 1.80   0.001% *  0.1212% (0.37   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  28.80 +/- 2.45   0.000% *  0.3238% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   GLU-  14  23.09 +/- 2.13   0.000% *  0.0688% (0.21   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  24.91 +/- 1.62   0.000% *  0.1122% (0.35   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  31.18 +/- 3.40   0.000% *  0.2995% (0.92   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  26.39 +/- 2.00   0.000% *  0.1191% (0.37   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ARG+  54  19.40 +/- 1.04   0.001% *  0.0178% (0.05   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  14  20.12 +/- 1.85   0.001% *  0.0187% (0.06   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG2   MET   11  31.88 +/- 3.49   0.000% *  0.1837% (0.57   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  35.09 +/- 2.86   0.000% *  0.3181% (0.98   0.02   0.02) =   0.000%
          HA    ALA   57 - HG2   MET   11  27.72 +/- 2.87   0.000% *  0.0501% (0.15   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  31.14 +/- 2.00   0.000% *  0.1191% (0.37   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  24.87 +/- 0.85   0.000% *  0.0308% (0.09   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.26 +/- 0.50   0.000% *  0.0290% (0.09   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  39.73 +/- 3.05   0.000% *  0.3181% (0.98   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  14  29.32 +/- 2.15   0.000% *  0.0456% (0.14   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  24.50 +/- 1.52   0.000% *  0.0129% (0.04   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  31.65 +/- 1.96   0.000% *  0.0591% (0.18   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG2   MET   11  37.11 +/- 3.52   0.000% *  0.1218% (0.38   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  39.99 +/- 2.82   0.000% *  0.1579% (0.49   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  32.50 +/- 3.68   0.000% *  0.0314% (0.10   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  27.64 +/- 0.79   0.000% *  0.0153% (0.05   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ARG+  54  28.45 +/- 0.39   0.000% *  0.0153% (0.05   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  29.48 +/- 2.57   0.000% *  0.0165% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 7 (2.29, 2.08, 30.22 ppm):
    33 chemical-shift based assignments, quality = 0.901, support = 3.31, residual support = 45.8:
    * O T QB    MET   11 - HG2   MET   11   2.22 +/- 0.08  59.286% * 79.9363% (1.00   3.31  45.58) =  87.381%  kept
      O T QG    GLU-  14 - HB2   GLU-  14   2.37 +/- 0.16  40.460% * 16.9141% (0.21   3.31  47.34) =  12.618%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.90 +/- 0.59   0.213% *  0.1312% (0.27   0.02   1.36) =   0.001%
        T QB    MET   11 - HB2   GLU-  14   9.60 +/- 1.61   0.018% *  0.1807% (0.37   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HG2   MET   11  10.21 +/- 1.20   0.009% *  0.2733% (0.57   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  11.43 +/- 1.68   0.005% *  0.3505% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  12.82 +/- 1.90   0.003% *  0.0880% (0.18   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   MET   11  22.24 +/- 4.77   0.000% *  0.1811% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  12.86 +/- 0.57   0.002% *  0.0283% (0.06   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  20.67 +/- 2.45   0.000% *  0.2349% (0.49   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  18.35 +/- 1.88   0.000% *  0.1096% (0.23   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   GLU-  14  17.90 +/- 2.76   0.000% *  0.0678% (0.14   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   ARG+  54  14.57 +/- 2.04   0.001% *  0.0175% (0.04   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   ARG+  54  13.82 +/- 0.40   0.001% *  0.0144% (0.03   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  26.55 +/- 2.45   0.000% *  0.2927% (0.61   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  17.19 +/- 0.79   0.000% *  0.0227% (0.05   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  17.03 +/- 0.82   0.000% *  0.0192% (0.04   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  14.64 +/- 0.32   0.001% *  0.0072% (0.01   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   GLU-  14  20.85 +/- 2.15   0.000% *  0.0451% (0.09   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   ARG+  54  17.58 +/- 0.99   0.000% *  0.0116% (0.02   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  21.48 +/- 0.90   0.000% *  0.0339% (0.07   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  21.90 +/- 1.88   0.000% *  0.0264% (0.05   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   11  29.76 +/- 3.32   0.000% *  0.1203% (0.25   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  14  26.11 +/- 1.44   0.000% *  0.0558% (0.12   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  27.79 +/- 2.05   0.000% *  0.0743% (0.15   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   11  32.10 +/- 2.52   0.000% *  0.1490% (0.31   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  24.60 +/- 1.32   0.000% *  0.0279% (0.06   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  29.19 +/- 3.32   0.000% *  0.0467% (0.10   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  35.50 +/- 2.62   0.000% *  0.1984% (0.41   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  30.39 +/- 2.84   0.000% *  0.0745% (0.15   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  14  29.73 +/- 1.91   0.000% *  0.0678% (0.14   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   11  37.98 +/- 2.71   0.000% *  0.1811% (0.38   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   ARG+  54  33.94 +/- 1.11   0.000% *  0.0175% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 9 (2.08, 2.08, 30.22 ppm):
    3 diagonal assignments:
    *     HG2   MET   11 - HG2   MET   11  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.37)  kept
          HB2   ARG+  54 - HB2   ARG+  54  (0.02)  kept
 
    Peak 10 (1.92, 2.08, 30.22 ppm):
    21 chemical-shift based assignments, quality = 0.864, support = 3.79, residual support = 46.0:
    * O T HG3   MET   11 - HG2   MET   11   1.75 +/- 0.00  49.996% * 77.6890% (1.00   4.00  45.58) =  79.008%  kept
      O T HB3   GLU-  14 - HB2   GLU-  14   1.75 +/- 0.00  49.997% * 20.6408% (0.35   3.00  47.34) =  20.992%  kept
        T HB3   GLU-  14 - HG2   MET   11  11.58 +/- 1.31   0.001% *  0.3675% (0.95   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   GLU-  14  10.79 +/- 1.49   0.001% *  0.1455% (0.37   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ARG+  54   8.36 +/- 0.36   0.004% *  0.0168% (0.04   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLU-  14  14.15 +/- 1.58   0.000% *  0.0255% (0.07   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   GLU-  14  18.43 +/- 1.54   0.000% *  0.0449% (0.12   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   11  23.55 +/- 3.81   0.000% *  0.1199% (0.31   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ARG+  54  15.36 +/- 0.98   0.000% *  0.0104% (0.03   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   MET   11  22.26 +/- 2.56   0.000% *  0.0680% (0.18   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   GLU-  14  22.94 +/- 1.73   0.000% *  0.0999% (0.26   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   ARG+  54  18.87 +/- 0.58   0.000% *  0.0258% (0.07   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB2   GLU-  14  22.46 +/- 1.61   0.000% *  0.0652% (0.17   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG2   MET   11  28.62 +/- 3.06   0.000% *  0.1742% (0.45   0.02   0.02) =   0.000%
          HB3   MET   96 - HG2   MET   11  30.66 +/- 2.59   0.000% *  0.2668% (0.69   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HB2   ARG+  54  24.72 +/- 1.77   0.000% *  0.0355% (0.09   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLU-  14  28.28 +/- 2.12   0.000% *  0.0404% (0.10   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   MET   11  36.60 +/- 3.08   0.000% *  0.1080% (0.28   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   ARG+  54  32.32 +/- 3.67   0.000% *  0.0376% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   ARG+  54  24.81 +/- 0.40   0.000% *  0.0116% (0.03   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HB2   ARG+  54  23.96 +/- 0.74   0.000% *  0.0066% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 11 (4.29, 1.92, 30.22 ppm):
    24 chemical-shift based assignments, quality = 0.85, support = 3.79, residual support = 44.2:
    * O T HA    MET   11 - HG3   MET   11   3.24 +/- 0.64  34.755% * 65.0147% (1.00   4.00  45.58) =  80.246%  kept
      O T HA    GLU-  14 - HB3   GLU-  14   2.85 +/- 0.17  59.421% *  7.0152% (0.15   2.96  47.34) =  14.804%  kept
          HA    ALA   12 - HG3   MET   11   4.81 +/- 0.82   5.566% * 25.0391% (0.53   2.93  12.29) =   4.949%  kept
          HA    ALA   12 - HB3   GLU-  14   8.26 +/- 1.05   0.159% *  0.0607% (0.19   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HG3   MET   11  10.17 +/- 1.18   0.062% *  0.1336% (0.41   0.02   0.02) =   0.000%
        T HA    MET   11 - HB3   GLU-  14  10.72 +/- 1.32   0.033% *  0.1154% (0.36   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   MET   11  22.32 +/- 4.11   0.001% *  0.1582% (0.49   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  14  17.27 +/- 1.54   0.002% *  0.0562% (0.17   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  14  19.96 +/- 1.39   0.001% *  0.1152% (0.35   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   MET   11  28.74 +/- 2.50   0.000% *  0.3244% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   GLU-  14  22.47 +/- 1.92   0.000% *  0.0653% (0.20   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  14  24.12 +/- 1.33   0.000% *  0.1065% (0.33   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   MET   11  31.17 +/- 3.24   0.000% *  0.3001% (0.92   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  14  25.67 +/- 1.68   0.000% *  0.1131% (0.35   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  14  19.49 +/- 1.43   0.001% *  0.0178% (0.05   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG3   MET   11  31.64 +/- 3.63   0.000% *  0.1840% (0.57   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   MET   11  34.94 +/- 2.95   0.000% *  0.3186% (0.98   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   MET   11  27.72 +/- 2.97   0.000% *  0.0502% (0.15   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  14  30.44 +/- 1.81   0.000% *  0.1131% (0.35   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   MET   11  39.49 +/- 3.21   0.000% *  0.3186% (0.98   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  14  28.75 +/- 1.79   0.000% *  0.0433% (0.13   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   MET   11  37.06 +/- 3.48   0.000% *  0.1220% (0.38   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   GLU-  14  30.91 +/- 1.82   0.000% *  0.0562% (0.17   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   MET   11  39.76 +/- 3.01   0.000% *  0.1582% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 12 (2.29, 1.92, 30.22 ppm):
    22 chemical-shift based assignments, quality = 0.822, support = 3.31, residual support = 46.0:
    * O T QB    MET   11 - HG3   MET   11   2.54 +/- 0.07  40.939% * 80.8811% (1.00   3.31  45.58) =  77.761%  kept
      O T QG    GLU-  14 - HB3   GLU-  14   2.39 +/- 0.16  58.358% * 16.2250% (0.20   3.31  47.34) =  22.237%  kept
        T QG    GLU-  15 - HB3   GLU-  14   5.37 +/- 0.80   0.662% *  0.1259% (0.26   0.02   1.36) =   0.002%
        T QG    GLU-  14 - HG3   MET   11   9.96 +/- 1.11   0.014% *  0.2765% (0.57   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG3   MET   11  11.40 +/- 1.74   0.009% *  0.3546% (0.73   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  14  10.16 +/- 1.15   0.012% *  0.1734% (0.36   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  14  12.05 +/- 1.46   0.005% *  0.0844% (0.17   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   MET   11  22.08 +/- 4.76   0.000% *  0.1833% (0.38   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB3   GLU-  14  17.40 +/- 2.63   0.001% *  0.0651% (0.13   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   MET   11  20.63 +/- 2.46   0.000% *  0.2377% (0.49   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  14  17.59 +/- 1.44   0.000% *  0.1052% (0.22   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   MET   11  26.49 +/- 2.52   0.000% *  0.2962% (0.61   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   GLU-  14  20.20 +/- 1.90   0.000% *  0.0432% (0.09   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   MET   11  29.53 +/- 3.45   0.000% *  0.1218% (0.25   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   GLU-  14  25.46 +/- 1.13   0.000% *  0.0535% (0.11   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   GLU-  14  27.16 +/- 1.87   0.000% *  0.0713% (0.15   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   MET   11  32.16 +/- 2.55   0.000% *  0.1507% (0.31   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  14  23.97 +/- 1.09   0.000% *  0.0268% (0.05   0.02   0.02) =   0.000%
          QG    GLN   90 - HG3   MET   11  35.34 +/- 2.79   0.000% *  0.2008% (0.41   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   MET   11  30.52 +/- 2.88   0.000% *  0.0753% (0.15   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  14  29.03 +/- 1.55   0.000% *  0.0651% (0.13   0.02   0.02) =   0.000%
          HG2   MET   92 - HG3   MET   11  37.90 +/- 2.79   0.000% *  0.1833% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 14 (2.08, 1.92, 30.22 ppm):
    16 chemical-shift based assignments, quality = 0.864, support = 3.79, residual support = 46.0:
    * O T HG2   MET   11 - HG3   MET   11   1.75 +/- 0.00  49.998% * 77.3692% (1.00   4.00  45.58) =  79.008%  kept
      O T HB2   GLU-  14 - HB3   GLU-  14   1.75 +/- 0.00  49.999% * 20.5559% (0.35   3.00  47.34) =  20.992%  kept
        T HB2   GLU-  14 - HG3   MET   11  10.79 +/- 1.49   0.001% *  0.3860% (1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   GLU-  14  11.58 +/- 1.31   0.001% *  0.1373% (0.36   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   MET   11  15.62 +/- 3.44   0.000% *  0.1076% (0.28   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   GLU-  14  11.69 +/- 1.59   0.001% *  0.0382% (0.10   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   GLU-  14  23.25 +/- 1.30   0.000% *  0.1346% (0.35   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   MET   11  30.41 +/- 3.14   0.000% *  0.3792% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLU-  14  24.35 +/- 1.76   0.000% *  0.0565% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   52 - HB3   GLU-  14  28.27 +/- 1.54   0.000% *  0.1346% (0.35   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   MET   11  36.79 +/- 3.17   0.000% *  0.3792% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   MET   11  33.10 +/- 2.94   0.000% *  0.1590% (0.41   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLU-  14  24.72 +/- 1.77   0.000% *  0.0241% (0.06   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   MET   11  32.32 +/- 3.67   0.000% *  0.0677% (0.18   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLU-  14  30.80 +/- 1.20   0.000% *  0.0186% (0.05   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   MET   11  38.74 +/- 2.66   0.000% *  0.0524% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 15 (1.92, 1.92, 30.22 ppm):
    2 diagonal assignments:
    *     HG3   MET   11 - HG3   MET   11  (1.00)  kept
          HB3   GLU-  14 - HB3   GLU-  14  (0.34)  kept
 
    Peak 16 (4.29, 2.29, 36.10 ppm):
    48 chemical-shift based assignments, quality = 0.866, support = 3.4, residual support = 45.8:
    * O T HA    MET   11 - QB    MET   11   2.32 +/- 0.15  42.698% * 82.2680% (1.00   3.36  45.58) =  84.483%  kept
      O T HA    GLU-  14 - QG    GLU-  14   2.26 +/- 0.39  54.791% * 11.7667% (0.13   3.61  47.34) =  15.506%  kept
          HA    ALA   12 - QB    MET   11   4.11 +/- 0.23   1.574% *  0.2573% (0.53   0.02  12.29) =   0.010%
        T HA    GLU-  14 - QG    GLU-  15   5.06 +/- 0.75   0.765% *  0.0485% (0.10   0.02   1.36) =   0.001%
          HA    ALA   12 - QG    GLU-  14   7.16 +/- 1.07   0.083% *  0.0835% (0.17   0.02   0.02) =   0.000%
        T HA    GLU-  14 - QB    MET   11   9.13 +/- 0.92   0.015% *  0.2010% (0.41   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   8.86 +/- 1.79   0.041% *  0.0620% (0.13   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  14   9.51 +/- 1.13   0.011% *  0.1587% (0.32   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  10.90 +/- 1.74   0.007% *  0.1179% (0.24   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  15  11.38 +/- 1.66   0.004% *  0.0574% (0.12   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   GLU-  36  10.23 +/- 1.53   0.008% *  0.0297% (0.06   0.02   0.21) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  15.95 +/- 1.26   0.000% *  0.1176% (0.24   0.02   0.02) =   0.000%
          HA    THR   39 - QB    MET   11  19.51 +/- 3.43   0.000% *  0.2380% (0.49   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  18.46 +/- 1.42   0.000% *  0.1583% (0.32   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  14  16.68 +/- 1.63   0.000% *  0.0772% (0.16   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  18.15 +/- 1.60   0.000% *  0.1088% (0.22   0.02   0.02) =   0.000%
          HA    MET   11 - HG3   GLU-  36  20.66 +/- 4.67   0.000% *  0.0609% (0.12   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   GLU-  36  17.41 +/- 0.72   0.000% *  0.0562% (0.12   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  25.68 +/- 1.73   0.000% *  0.4879% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  14  20.33 +/- 1.65   0.000% *  0.0898% (0.18   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  22.64 +/- 1.40   0.000% *  0.1465% (0.30   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  27.55 +/- 2.56   0.000% *  0.4514% (0.92   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  23.32 +/- 1.51   0.000% *  0.1556% (0.32   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  15  16.14 +/- 0.84   0.000% *  0.0182% (0.04   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  14  17.53 +/- 1.60   0.000% *  0.0245% (0.05   0.02   0.02) =   0.000%
          HA    ALA   12 - HG3   GLU-  36  20.87 +/- 4.02   0.000% *  0.0321% (0.07   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.82 +/- 1.30   0.000% *  0.1156% (0.24   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG3   GLU-  36  18.91 +/- 2.56   0.000% *  0.0251% (0.05   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  15  21.36 +/- 1.18   0.000% *  0.0667% (0.14   0.02   0.02) =   0.000%
        T HA    GLU-  79 - QB    MET   11  28.34 +/- 2.88   0.000% *  0.2769% (0.57   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   GLU-  36  21.82 +/- 0.68   0.000% *  0.0608% (0.12   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  31.28 +/- 2.25   0.000% *  0.4793% (0.98   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    MET   11  24.97 +/- 2.43   0.000% *  0.0755% (0.15   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  27.70 +/- 1.53   0.000% *  0.1556% (0.32   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  35.24 +/- 2.48   0.000% *  0.4793% (0.98   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  27.57 +/- 1.36   0.000% *  0.1156% (0.24   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  14  25.58 +/- 1.75   0.000% *  0.0596% (0.12   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  28.30 +/- 1.54   0.000% *  0.0772% (0.16   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    MET   11  33.39 +/- 3.07   0.000% *  0.1835% (0.38   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  15  25.50 +/- 0.90   0.000% *  0.0442% (0.09   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  27.59 +/- 1.49   0.000% *  0.0574% (0.12   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   GLU-  36  27.82 +/- 0.52   0.000% *  0.0597% (0.12   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  35.37 +/- 2.30   0.000% *  0.2380% (0.49   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HG3   GLU-  36  26.03 +/- 0.34   0.000% *  0.0345% (0.07   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   GLU-  36  29.15 +/- 0.87   0.000% *  0.0597% (0.12   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   GLU-  36  26.95 +/- 1.15   0.000% *  0.0297% (0.06   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   GLU-  36  26.98 +/- 0.99   0.000% *  0.0094% (0.02   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   GLU-  36  36.24 +/- 0.75   0.000% *  0.0229% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 17 (2.29, 2.29, 36.10 ppm):
    4 diagonal assignments:
    *     QB    MET   11 - QB    MET   11  (1.00)  kept
          QG    GLU-  14 - QG    GLU-  14  (0.18)  kept
          QG    GLU-  15 - QG    GLU-  15  (0.18)  kept
          HG3   GLU-  36 - HG3   GLU-  36  (0.05)  kept
 
    Peak 19 (2.08, 2.29, 36.10 ppm):
    32 chemical-shift based assignments, quality = 0.878, support = 3.31, residual support = 45.9:
    * O T HG2   MET   11 - QB    MET   11   2.22 +/- 0.08  59.112% * 73.2189% (1.00   3.31  45.58) =  81.936%  kept
      O T HB2   GLU-  14 - QG    GLU-  14   2.37 +/- 0.16  40.325% * 23.6617% (0.32   3.31  47.34) =  18.064%  kept
        T HB2   GLU-  14 - QG    GLU-  15   5.90 +/- 0.59   0.213% *  0.1063% (0.24   0.02   1.36) =   0.000%
          HB2   PRO   68 - QG    GLU-  15   5.85 +/- 1.24   0.310% *  0.0296% (0.07   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - QB    MET   11   9.60 +/- 1.61   0.017% *  0.4411% (1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  14  10.21 +/- 1.20   0.009% *  0.1435% (0.32   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  15  11.43 +/- 1.68   0.005% *  0.1066% (0.24   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  14  11.02 +/- 1.70   0.006% *  0.0399% (0.09   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    MET   11  13.87 +/- 2.51   0.002% *  0.1229% (0.28   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HG3   GLU-  36  17.90 +/- 2.76   0.000% *  0.0550% (0.12   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  15  18.83 +/- 0.80   0.000% *  0.1045% (0.24   0.02   0.02) =   0.000%
        T HG2   MET   11 - HG3   GLU-  36  22.24 +/- 4.77   0.000% *  0.0551% (0.12   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  14  20.81 +/- 1.56   0.000% *  0.1406% (0.32   0.02   0.02) =   0.000%
          HG2   PRO   58 - QB    MET   11  27.40 +/- 2.67   0.000% *  0.4333% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  14  22.06 +/- 1.87   0.000% *  0.0590% (0.13   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  15  20.60 +/- 0.99   0.000% *  0.0438% (0.10   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  14  25.38 +/- 1.59   0.000% *  0.1406% (0.32   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  15  24.38 +/- 1.22   0.000% *  0.1045% (0.24   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   GLU-  36  18.38 +/- 1.61   0.000% *  0.0153% (0.03   0.02   0.02) =   0.000%
          HG3   PRO   52 - QB    MET   11  33.06 +/- 2.61   0.000% *  0.4333% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    MET   11  29.70 +/- 2.32   0.000% *  0.1817% (0.41   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  14  21.90 +/- 1.88   0.000% *  0.0251% (0.06   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QB    MET   11  29.19 +/- 3.32   0.000% *  0.0774% (0.18   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  15  21.48 +/- 0.90   0.000% *  0.0187% (0.04   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  15  24.81 +/- 1.26   0.000% *  0.0144% (0.03   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   GLU-  36  30.92 +/- 1.15   0.000% *  0.0540% (0.12   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   GLU-  36  28.63 +/- 1.09   0.000% *  0.0226% (0.05   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  14  28.10 +/- 1.43   0.000% *  0.0194% (0.04   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   GLU-  36  33.47 +/- 1.17   0.000% *  0.0540% (0.12   0.02   0.02) =   0.000%
          HB    VAL  108 - QB    MET   11  34.59 +/- 1.88   0.000% *  0.0598% (0.14   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   GLU-  36  30.37 +/- 0.71   0.000% *  0.0075% (0.02   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   GLU-  36  33.94 +/- 1.11   0.000% *  0.0096% (0.02   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 = 0.789, support = 3.31, residual support = 46.1:
    * O T HG3   MET   11 - QB    MET   11   2.54 +/- 0.07  40.929% * 74.7549% (1.00   3.31  45.58) =  69.600%  kept
      O T HB3   GLU-  14 - QG    GLU-  14   2.39 +/- 0.16  58.346% * 22.9032% (0.31   3.31  47.34) =  30.398%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.37 +/- 0.80   0.661% *  0.1029% (0.23   0.02   1.36) =   0.002%
        T HB3   GLU-  14 - QB    MET   11  10.16 +/- 1.15   0.012% *  0.4270% (0.95   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  14   9.96 +/- 1.11   0.014% *  0.1465% (0.32   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  11.40 +/- 1.74   0.009% *  0.1088% (0.24   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  11.51 +/- 1.62   0.009% *  0.0336% (0.07   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  15  11.37 +/- 1.58   0.007% *  0.0191% (0.04   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  14  13.04 +/- 1.45   0.003% *  0.0257% (0.06   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   GLU-  36  11.44 +/- 0.30   0.005% *  0.0098% (0.02   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HG3   GLU-  36  17.40 +/- 2.63   0.001% *  0.0532% (0.12   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  17.44 +/- 1.46   0.000% *  0.0747% (0.17   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG3   GLU-  36  14.08 +/- 1.33   0.002% *  0.0174% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  20.81 +/- 2.83   0.000% *  0.1393% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  16.94 +/- 1.48   0.001% *  0.0452% (0.10   0.02   0.02) =   0.000%
          HB3   GLN   30 - QB    MET   11  19.46 +/- 2.04   0.000% *  0.0790% (0.18   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   GLU-  36  22.08 +/- 4.76   0.000% *  0.0562% (0.12   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  17.50 +/- 0.75   0.000% *  0.0488% (0.11   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  20.62 +/- 1.31   0.000% *  0.1006% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  19.60 +/- 1.54   0.000% *  0.0657% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  25.90 +/- 2.72   0.000% *  0.2024% (0.45   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  27.21 +/- 1.82   0.000% *  0.3100% (0.69   0.02   0.02) =   0.000%
          HB3   MET   96 - HG3   GLU-  36  20.02 +/- 0.63   0.000% *  0.0386% (0.09   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  23.47 +/- 1.96   0.000% *  0.0303% (0.07   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  25.09 +/- 1.51   0.000% *  0.0407% (0.09   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  32.63 +/- 2.38   0.000% *  0.1255% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   GLU-  36  30.20 +/- 1.24   0.000% *  0.0252% (0.06   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   GLU-  36  28.65 +/- 1.75   0.000% *  0.0156% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 26 (4.31, 4.31, 53.06 ppm):
    1 diagonal assignment:
    *     HA    ALA   12 - HA    ALA   12  (0.75)  kept
 
    Peak 27 (1.39, 4.31, 53.06 ppm):
    13 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.4:
    * O T QB    ALA   12 - HA    ALA   12   2.12 +/- 0.02  99.998% * 92.4662% (0.82   2.00  12.45) = 100.000%  kept
          HG3   LYS+  65 - HA    ALA   12  16.30 +/- 1.99   0.001% *  0.8766% (0.78   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    ALA   12  17.90 +/- 3.03   0.001% *  0.9247% (0.82   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   12  20.30 +/- 1.83   0.000% *  0.8165% (0.72   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   12  21.22 +/- 1.60   0.000% *  0.8766% (0.78   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   12  20.64 +/- 1.40   0.000% *  0.4382% (0.39   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA   12  23.92 +/- 2.14   0.000% *  0.7098% (0.63   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   12  31.91 +/- 3.24   0.000% *  0.7827% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   12  30.60 +/- 1.79   0.000% *  0.5929% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   12  28.72 +/- 1.93   0.000% *  0.2718% (0.24   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   12  31.03 +/- 2.26   0.000% *  0.4019% (0.36   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   12  34.27 +/- 1.70   0.000% *  0.7098% (0.63   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   12  30.67 +/- 1.75   0.000% *  0.1323% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 28 (4.31, 1.39, 19.22 ppm):
    9 chemical-shift based assignments, quality = 0.82, support = 2.0, residual support = 12.4:
    * O T HA    ALA   12 - QB    ALA   12   2.12 +/- 0.02  97.193% * 95.7393% (0.82   2.00  12.45) =  99.988%  kept
          HA    MET   11 - QB    ALA   12   4.01 +/- 0.28   2.380% *  0.2752% (0.24   0.02  12.29) =   0.007%
          HA    GLU-  14 - QB    ALA   12   5.54 +/- 0.74   0.427% *  1.0441% (0.89   0.02   0.02) =   0.005%
          HA    LEU  104 - QB    ALA   12  24.90 +/- 1.81   0.000% *  1.0441% (0.89   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   12  21.54 +/- 1.63   0.000% *  0.2457% (0.21   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    ALA   12  30.86 +/- 2.46   0.000% *  0.9898% (0.85   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   12  26.53 +/- 2.19   0.000% *  0.1933% (0.17   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    ALA   12  31.79 +/- 2.33   0.000% *  0.2752% (0.24   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   12  30.50 +/- 2.52   0.000% *  0.1933% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.941, support = 1.98, residual support = 9.82:
    * O T QB    SER   13 - HA    SER   13   2.36 +/- 0.16  81.083% * 58.1010% (1.00   1.93   7.75) =  88.023%  kept
      O T HB3   SER   37 - HA    SER   37   3.05 +/- 0.01  18.253% * 35.1089% (0.51   2.31  25.11) =  11.974%  kept
          HB    THR   39 - HA    SER   37   5.67 +/- 0.56   0.503% *  0.3205% (0.53   0.02   3.48) =   0.003%
          HD3   PRO   52 - HA    THR   46   7.43 +/- 0.82   0.120% *  0.1241% (0.21   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   46   9.70 +/- 0.55   0.020% *  0.3442% (0.57   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   37  10.31 +/- 0.36   0.012% *  0.0893% (0.15   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    SER   37  15.32 +/- 2.79   0.003% *  0.3212% (0.53   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    SER   13  16.50 +/- 2.43   0.001% *  0.5687% (0.95   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  16.73 +/- 2.19   0.001% *  0.5998% (1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.60 +/- 0.24   0.002% *  0.2207% (0.37   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.64 +/- 0.28   0.001% *  0.3156% (0.52   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   13  15.85 +/- 2.10   0.001% *  0.1671% (0.28   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  22.14 +/- 0.82   0.000% *  0.3630% (0.60   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  23.58 +/- 0.42   0.000% *  0.3442% (0.57   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  24.03 +/- 0.88   0.000% *  0.3638% (0.61   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   46  19.32 +/- 0.55   0.000% *  0.1012% (0.17   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  24.23 +/- 0.53   0.000% *  0.2786% (0.46   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  23.89 +/- 0.54   0.000% *  0.1948% (0.32   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  28.81 +/- 1.74   0.000% *  0.5215% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  27.95 +/- 0.92   0.000% *  0.3646% (0.61   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  29.47 +/- 1.19   0.000% *  0.3039% (0.51   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  33.59 +/- 1.34   0.000% *  0.5687% (0.95   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   13  32.12 +/- 1.31   0.000% *  0.2051% (0.34   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   37  33.44 +/- 0.68   0.000% *  0.1096% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 0.941, support = 1.98, residual support = 9.91:
    * O T HA    SER   13 - QB    SER   13   2.36 +/- 0.16  80.941% * 57.1329% (1.00   1.93   7.75) =  87.535%  kept
      O T HA    SER   37 - HB3   SER   37   3.05 +/- 0.01  18.213% * 36.1414% (0.53   2.31  25.11) =  12.460%  kept
          HA    GLU-  15 - QB    SER   13   6.51 +/- 0.56   0.226% *  0.5911% (1.00   0.02   0.02) =   0.003%
          HA    ASN   35 - HB3   SER   37   5.68 +/- 0.21   0.457% *  0.1230% (0.21   0.02   0.02) =   0.001%
          HA    LEU   40 - HB3   SER   37   7.56 +/- 0.61   0.085% *  0.5226% (0.88   0.02   0.02) =   0.001%
          HA    GLN   17 - QB    SER   13  10.82 +/- 1.01   0.013% *  0.3347% (0.57   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   SER   37   8.25 +/- 0.87   0.053% *  0.0748% (0.13   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37  12.58 +/- 1.46   0.005% *  0.5525% (0.93   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  15.32 +/- 2.79   0.003% *  0.3347% (0.57   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  16.50 +/- 2.43   0.001% *  0.5525% (0.93   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  15.47 +/- 0.81   0.001% *  0.3128% (0.53   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  17.89 +/- 1.83   0.001% *  0.5592% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  19.82 +/- 1.80   0.000% *  0.5898% (1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    SER   13  18.78 +/- 2.41   0.000% *  0.1316% (0.22   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   SER   37  19.51 +/- 0.83   0.000% *  0.1885% (0.32   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  23.42 +/- 0.42   0.000% *  0.5513% (0.93   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    SER   13  21.67 +/- 1.49   0.000% *  0.2016% (0.34   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  24.03 +/- 0.88   0.000% *  0.3824% (0.65   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  23.58 +/- 0.42   0.000% *  0.3574% (0.60   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    SER   13  19.71 +/- 2.01   0.000% *  0.0800% (0.14   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    SER   13  23.71 +/- 1.40   0.000% *  0.1474% (0.25   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   SER   37  24.56 +/- 0.44   0.000% *  0.1378% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 0.953, support = 3.04, residual support = 47.2:
    * O T HB2   GLU-  14 - HA    GLU-  14   2.78 +/- 0.19  86.300% * 63.8135% (1.00   2.96  47.34) =  92.335%  kept
      O T HG2   MET   11 - HA    MET   11   3.91 +/- 0.32  13.526% * 33.7987% (0.39   4.00  45.58) =   7.665%  kept
        T HG2   MET   11 - HA    GLU-  14  10.30 +/- 1.02   0.044% *  0.4306% (1.00   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    MET   11  10.13 +/- 1.66   0.078% *  0.1694% (0.39   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  10.64 +/- 1.66   0.039% *  0.1332% (0.31   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  15.50 +/- 3.00   0.009% *  0.0523% (0.12   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    GLU-  14  17.11 +/- 1.64   0.002% *  0.0666% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  22.81 +/- 1.05   0.000% *  0.4278% (0.99   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    MET   11  20.13 +/- 3.41   0.001% *  0.0261% (0.06   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  28.65 +/- 1.05   0.000% *  0.4278% (0.99   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  24.86 +/- 1.34   0.000% *  0.1620% (0.38   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  24.50 +/- 1.52   0.000% *  0.0666% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  30.55 +/- 3.10   0.000% *  0.1679% (0.39   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  36.69 +/- 2.88   0.000% *  0.1679% (0.39   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  32.89 +/- 2.71   0.000% *  0.0636% (0.15   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  32.50 +/- 3.68   0.000% *  0.0261% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.892, support = 3.57, residual support = 47.1:
    * O T QG    GLU-  14 - HA    GLU-  14   2.26 +/- 0.39  55.706% * 79.8582% (1.00   3.61  47.34) =  86.074%  kept
      O T QB    MET   11 - HA    MET   11   2.32 +/- 0.15  43.469% * 16.5500% (0.22   3.36  45.58) =  13.920%  kept
        T QG    GLU-  15 - HA    GLU-  14   5.06 +/- 0.75   0.788% *  0.4273% (0.97   0.02   1.36) =   0.007%
        T QB    MET   11 - HA    GLU-  14   9.13 +/- 0.92   0.015% *  0.2507% (0.57   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    MET   11   9.51 +/- 1.13   0.011% *  0.1738% (0.39   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    MET   11  10.90 +/- 1.74   0.007% *  0.1677% (0.38   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLU-  14  12.47 +/- 1.20   0.002% *  0.4389% (0.99   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    GLU-  14  18.19 +/- 0.92   0.000% *  0.4418% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  14  16.37 +/- 1.21   0.000% *  0.1367% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   11  20.20 +/- 2.13   0.000% *  0.1722% (0.39   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  14  23.58 +/- 0.79   0.000% *  0.3042% (0.69   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   11  21.03 +/- 3.27   0.000% *  0.0536% (0.12   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  14  28.25 +/- 1.36   0.000% *  0.4273% (0.97   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   11  26.12 +/- 2.25   0.000% *  0.1734% (0.39   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   11  30.54 +/- 2.68   0.000% *  0.1194% (0.27   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  14  29.94 +/- 1.10   0.000% *  0.0986% (0.22   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    MET   11  34.91 +/- 2.61   0.000% *  0.1677% (0.38   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    MET   11  37.54 +/- 2.82   0.000% *  0.0387% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.956, support = 2.94, residual support = 46.4:
    * O T HA    GLU-  14 - HB2   GLU-  14   2.78 +/- 0.19  82.093% * 62.0663% (1.00   2.96  47.34) =  95.081%  kept
      O T HA    MET   11 - HG2   MET   11   3.91 +/- 0.32  12.981% * 12.9251% (0.15   4.00  45.58) =   3.131%  kept
          HA    ALA   12 - HG2   MET   11   4.98 +/- 0.87   4.324% * 22.1126% (0.37   2.87  12.29) =   1.784%
          HA    ALA   12 - HB2   GLU-  14   7.68 +/- 1.36   0.480% *  0.4115% (0.98   0.02   0.02) =   0.004%
        T HA    MET   11 - HB2   GLU-  14  10.13 +/- 1.66   0.071% *  0.1726% (0.41   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HG2   MET   11  10.30 +/- 1.02   0.041% *  0.1572% (0.37   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.27 +/- 0.55   0.005% *  0.0232% (0.06   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  20.74 +/- 1.80   0.001% *  0.1575% (0.38   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  15.98 +/- 0.88   0.003% *  0.0191% (0.05   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   GLU-  14  26.23 +/- 1.42   0.000% *  0.3361% (0.80   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  31.65 +/- 1.96   0.000% *  0.4161% (0.99   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  24.91 +/- 1.62   0.000% *  0.0935% (0.22   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  26.39 +/- 2.00   0.000% *  0.1296% (0.31   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  24.50 +/- 1.52   0.000% *  0.0617% (0.15   0.02   0.02) =   0.000%
          HA    LEU  104 - HG2   MET   11  31.65 +/- 3.65   0.000% *  0.1259% (0.30   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ARG+  54  26.21 +/- 0.38   0.000% *  0.0494% (0.12   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  31.14 +/- 2.00   0.000% *  0.1296% (0.31   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  27.64 +/- 0.79   0.000% *  0.0612% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  28.80 +/- 2.45   0.000% *  0.0590% (0.14   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  29.48 +/- 2.57   0.000% *  0.0605% (0.14   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  24.87 +/- 0.85   0.000% *  0.0191% (0.05   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  31.18 +/- 3.40   0.000% *  0.0350% (0.08   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.26 +/- 0.50   0.000% *  0.0137% (0.03   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   GLU-  14  32.73 +/- 2.00   0.000% *  0.0568% (0.14   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  39.99 +/- 2.82   0.000% *  0.1558% (0.37   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   ARG+  54  25.48 +/- 0.81   0.000% *  0.0084% (0.02   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  32.50 +/- 3.68   0.000% *  0.0254% (0.06   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  35.09 +/- 2.86   0.000% *  0.0485% (0.12   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  39.73 +/- 3.05   0.000% *  0.0485% (0.12   0.02   0.02) =   0.000%
          HA    TRP   87 - HG2   MET   11  41.15 +/- 2.68   0.000% *  0.0213% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 39 (2.08, 2.08, 30.50 ppm):
    3 diagonal assignments:
    *     HB2   GLU-  14 - HB2   GLU-  14  (1.00)  kept
          HG2   MET   11 - HG2   MET   11  (0.37)  kept
          HB2   ARG+  54 - HB2   ARG+  54  (0.02)  kept
 
    Peak 40 (2.27, 2.08, 30.50 ppm):
    27 chemical-shift based assignments, quality = 0.813, support = 3.31, residual support = 46.9:
    * O T QG    GLU-  14 - HB2   GLU-  14   2.37 +/- 0.16  40.461% * 78.9389% (1.00   3.31  47.34) =  76.260%  kept
      O T QB    MET   11 - HG2   MET   11   2.22 +/- 0.08  59.287% * 16.7690% (0.21   3.31  45.58) =  23.738%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.90 +/- 0.59   0.213% *  0.4609% (0.97   0.02   1.36) =   0.002%
        T QB    MET   11 - HB2   GLU-  14   9.60 +/- 1.61   0.018% *  0.2704% (0.57   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HG2   MET   11  10.21 +/- 1.20   0.009% *  0.1788% (0.37   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  12.82 +/- 1.90   0.003% *  0.4733% (0.99   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  11.43 +/- 1.68   0.005% *  0.1726% (0.36   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU-  14  14.88 +/- 1.79   0.001% *  0.1474% (0.31   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  18.35 +/- 1.88   0.000% *  0.4765% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  12.86 +/- 0.57   0.002% *  0.0701% (0.15   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  14.64 +/- 0.32   0.001% *  0.0482% (0.10   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  20.67 +/- 2.45   0.000% *  0.1773% (0.37   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  17.03 +/- 0.82   0.000% *  0.0678% (0.14   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  17.19 +/- 0.79   0.000% *  0.0696% (0.15   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  24.60 +/- 1.32   0.000% *  0.3280% (0.69   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ARG+  54  15.80 +/- 1.92   0.001% *  0.0156% (0.03   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  27.79 +/- 2.05   0.000% *  0.4609% (0.97   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG2   MET   11  22.55 +/- 3.00   0.000% *  0.0552% (0.12   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  21.90 +/- 1.88   0.000% *  0.0702% (0.15   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  21.48 +/- 0.90   0.000% *  0.0678% (0.14   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  26.55 +/- 2.45   0.000% *  0.1784% (0.37   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  30.39 +/- 2.84   0.000% *  0.1228% (0.26   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU-  14  29.76 +/- 1.97   0.000% *  0.1063% (0.22   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  35.50 +/- 2.62   0.000% *  0.1726% (0.36   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  29.19 +/- 3.32   0.000% *  0.0398% (0.08   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ARG+  54  27.55 +/- 0.67   0.000% *  0.0217% (0.05   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   MET   11  38.04 +/- 2.85   0.000% *  0.0398% (0.08   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 = 0.923, support = 3.59, residual support = 47.2:
    * O T HA    GLU-  14 - QG    GLU-  14   2.26 +/- 0.39  54.798% * 84.3312% (1.00   3.61  47.34) =  91.148%  kept
      O T HA    MET   11 - QB    MET   11   2.32 +/- 0.15  42.705% * 10.4948% (0.13   3.36  45.58) =   8.840%  kept
        T HA    GLU-  14 - QG    GLU-  15   5.06 +/- 0.75   0.765% *  0.4114% (0.88   0.02   1.36) =   0.006%
          HA    ALA   12 - QB    MET   11   4.11 +/- 0.23   1.574% *  0.1487% (0.32   0.02  12.29) =   0.005%
          HA    ALA   12 - QG    GLU-  14   7.16 +/- 1.07   0.083% *  0.4583% (0.98   0.02   0.02) =   0.001%
          HA    ALA   12 - QG    GLU-  15   8.86 +/- 1.79   0.041% *  0.4033% (0.86   0.02   0.02) =   0.000%
        T HA    GLU-  14 - QB    MET   11   9.13 +/- 0.92   0.015% *  0.1517% (0.32   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  14   9.51 +/- 1.13   0.011% *  0.1922% (0.41   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  10.90 +/- 1.74   0.007% *  0.1691% (0.36   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  15.95 +/- 1.26   0.000% *  0.1544% (0.33   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  15  18.76 +/- 1.51   0.000% *  0.3294% (0.70   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  18.46 +/- 1.42   0.000% *  0.1755% (0.38   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  18.15 +/- 1.60   0.000% *  0.0916% (0.20   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  14  23.82 +/- 1.41   0.000% *  0.3744% (0.80   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  23.32 +/- 1.51   0.000% *  0.1443% (0.31   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  28.30 +/- 1.54   0.000% *  0.4635% (0.99   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  27.59 +/- 1.49   0.000% *  0.4078% (0.87   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.82 +/- 1.30   0.000% *  0.1270% (0.27   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  22.64 +/- 1.40   0.000% *  0.1041% (0.22   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  27.70 +/- 1.53   0.000% *  0.1443% (0.31   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  27.57 +/- 1.36   0.000% *  0.1270% (0.27   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    MET   11  28.03 +/- 2.74   0.000% *  0.1215% (0.26   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  25.68 +/- 1.73   0.000% *  0.0570% (0.12   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  14  29.22 +/- 1.67   0.000% *  0.0633% (0.14   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  15  28.06 +/- 1.42   0.000% *  0.0557% (0.12   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  27.55 +/- 2.56   0.000% *  0.0338% (0.07   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  35.37 +/- 2.30   0.000% *  0.1504% (0.32   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  31.28 +/- 2.25   0.000% *  0.0468% (0.10   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  35.24 +/- 2.48   0.000% *  0.0468% (0.10   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    MET   11  36.49 +/- 2.13   0.000% *  0.0205% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 0.877, support = 3.31, residual support = 47.0:
    * O T HB3   GLU-  14 - QG    GLU-  14   2.39 +/- 0.16  58.356% * 74.1036% (1.00   3.31  47.34) =  82.248%  kept
      O T HG3   MET   11 - QB    MET   11   2.54 +/- 0.07  40.937% * 22.7938% (0.31   3.31  45.58) =  17.747%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.37 +/- 0.80   0.661% *  0.3944% (0.88   0.02   1.36) =   0.005%
        T HG3   MET   11 - QG    GLU-  14   9.96 +/- 1.11   0.014% *  0.4241% (0.95   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  11.40 +/- 1.74   0.009% *  0.3731% (0.83   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - QB    MET   11  10.16 +/- 1.15   0.012% *  0.1455% (0.32   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  11.51 +/- 1.62   0.009% *  0.1920% (0.43   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  17.44 +/- 1.46   0.000% *  0.3422% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  16.94 +/- 1.48   0.001% *  0.2182% (0.49   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  20.62 +/- 1.31   0.000% *  0.3889% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  17.50 +/- 0.75   0.000% *  0.1097% (0.24   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  19.60 +/- 1.54   0.000% *  0.1246% (0.28   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  20.81 +/- 2.83   0.000% *  0.0708% (0.16   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  23.47 +/- 1.96   0.000% *  0.0609% (0.14   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  27.21 +/- 1.82   0.000% *  0.1262% (0.28   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  25.09 +/- 1.51   0.000% *  0.0692% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  25.90 +/- 2.72   0.000% *  0.0405% (0.09   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  32.63 +/- 2.38   0.000% *  0.0224% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 50 (4.41, 4.41, 56.54 ppm):
    3 diagonal assignments:
    *     HA    GLU-  15 - HA    GLU-  15  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.76)  kept
          HA    ASN   35 - HA    ASN   35  (0.04)  kept
 
    Peak 51 (2.27, 4.41, 56.54 ppm):
    27 chemical-shift based assignments, quality = 0.997, support = 1.92, residual support = 8.53:
    * O T QG    GLU-  15 - HA    GLU-  15   2.48 +/- 0.52  94.410% * 39.1357% (1.00   1.85   9.12) =  92.423%  kept
        T QG    GLU-  14 - HA    GLU-  15   4.88 +/- 0.75   5.372% * 56.3728% (0.97   2.77   1.36) =   7.575%  kept
          HB3   PHE   72 - HA    GLU-  15   8.56 +/- 1.04   0.120% *  0.3897% (0.92   0.02   0.02) =   0.001%
          HB3   PHE   72 - HA    LEU   40  10.39 +/- 0.29   0.030% *  0.3151% (0.75   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  15  11.58 +/- 0.96   0.015% *  0.3065% (0.73   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    LEU   40  12.42 +/- 1.66   0.011% *  0.3414% (0.81   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LEU   40  13.60 +/- 0.30   0.006% *  0.3346% (0.79   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  15  14.77 +/- 0.41   0.003% *  0.4138% (0.98   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    LEU   40  17.48 +/- 1.47   0.001% *  0.3294% (0.78   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   40  16.18 +/- 0.88   0.002% *  0.1796% (0.43   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  15  14.41 +/- 0.82   0.005% *  0.0835% (0.20   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASN   35  14.53 +/- 1.90   0.004% *  0.0783% (0.19   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ASN   35  14.60 +/- 0.57   0.004% *  0.0722% (0.17   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    LEU   40  21.65 +/- 2.84   0.001% *  0.2479% (0.59   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASN   35  12.62 +/- 0.17   0.009% *  0.0155% (0.04   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   40  16.21 +/- 0.48   0.002% *  0.0676% (0.16   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  15  20.17 +/- 0.81   0.001% *  0.2221% (0.53   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ASN   35  17.70 +/- 0.44   0.001% *  0.0767% (0.18   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASN   35  18.45 +/- 1.72   0.001% *  0.0755% (0.18   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   40  23.94 +/- 0.76   0.000% *  0.2961% (0.70   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  15  25.94 +/- 0.72   0.000% *  0.3662% (0.87   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASN   35  22.09 +/- 3.35   0.001% *  0.0568% (0.13   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   40  22.70 +/- 1.41   0.000% *  0.0462% (0.11   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASN   35  24.84 +/- 1.06   0.000% *  0.0679% (0.16   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASN   35  23.21 +/- 0.82   0.000% *  0.0412% (0.10   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  15  26.81 +/- 1.19   0.000% *  0.0571% (0.14   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASN   35  25.29 +/- 1.89   0.000% *  0.0106% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 52 (2.01, 4.41, 56.54 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 3.12, residual support = 9.12:
    * O T QB    GLU-  15 - HA    GLU-  15   2.42 +/- 0.16  98.930% * 91.8677% (1.00   3.12   9.12) =  99.996%  kept
        T HB2   GLN   17 - HA    GLU-  15   6.08 +/- 0.17   0.430% *  0.5893% (1.00   0.02   0.64) =   0.003%
        T HB3   PRO   68 - HA    GLU-  15   8.17 +/- 1.68   0.122% *  0.4719% (0.80   0.02   0.02) =   0.001%
          HB    ILE   19 - HA    GLU-  15   7.76 +/- 0.60   0.110% *  0.3336% (0.57   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU   40   7.90 +/- 0.33   0.090% *  0.1061% (0.18   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  15  10.09 +/- 1.09   0.025% *  0.2869% (0.49   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  15  10.51 +/- 1.27   0.019% *  0.2423% (0.41   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ASN   35   7.39 +/- 0.74   0.166% *  0.0243% (0.04   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HA    LEU   40  13.24 +/- 1.44   0.005% *  0.4766% (0.81   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU   40  13.52 +/- 1.92   0.009% *  0.2320% (0.39   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU   40  12.04 +/- 0.37   0.007% *  0.2698% (0.46   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLU-  15  10.60 +/- 1.04   0.018% *  0.1032% (0.18   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HA    LEU   40  13.63 +/- 0.78   0.004% *  0.3816% (0.65   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU   40  10.93 +/- 0.45   0.013% *  0.0835% (0.14   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU   40  13.20 +/- 0.55   0.004% *  0.1959% (0.33   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HA    LEU   40  16.38 +/- 0.51   0.001% *  0.4766% (0.81   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ASN   35   9.69 +/- 0.27   0.026% *  0.0191% (0.03   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ASN   35  11.57 +/- 0.41   0.009% *  0.0449% (0.08   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    LEU   40  17.30 +/- 0.74   0.001% *  0.3083% (0.52   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ASN   35  13.37 +/- 0.42   0.004% *  0.0619% (0.10   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU-  15  19.46 +/- 0.88   0.000% *  0.5575% (0.95   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ASN   35  15.24 +/- 1.67   0.002% *  0.1093% (0.19   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   40  21.01 +/- 0.67   0.000% *  0.4724% (0.80   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU   40  21.24 +/- 0.50   0.000% *  0.4508% (0.76   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   40  16.56 +/- 0.69   0.001% *  0.0835% (0.14   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ASN   35  17.43 +/- 0.52   0.001% *  0.1034% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ASN   35  18.53 +/- 0.74   0.001% *  0.0875% (0.15   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  15  23.91 +/- 0.76   0.000% *  0.3812% (0.65   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ASN   35  19.68 +/- 0.68   0.000% *  0.1093% (0.19   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  15  27.08 +/- 0.75   0.000% *  0.5841% (0.99   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ASN   35  18.96 +/- 1.70   0.001% *  0.0532% (0.09   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLU-  15  21.30 +/- 1.27   0.000% *  0.1312% (0.22   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU-  15  20.94 +/- 0.63   0.000% *  0.1032% (0.18   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ASN   35  22.65 +/- 0.82   0.000% *  0.0707% (0.12   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ASN   35  26.82 +/- 0.80   0.000% *  0.1083% (0.18   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ASN   35  23.82 +/- 0.78   0.000% *  0.0191% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.987, support = 1.95, residual support = 8.52:
    * O T HA    GLU-  15 - QG    GLU-  15   2.48 +/- 0.52  89.593% * 27.0680% (1.00   1.85   9.12) =  89.188%  kept
        T HA    GLU-  15 - QG    GLU-  14   4.88 +/- 0.75   4.923% * 35.5470% (0.88   2.77   1.36) =   6.436%  kept
          HA    SER   13 - QG    GLU-  14   4.94 +/- 0.62   3.481% * 34.0596% (0.88   2.65   6.81) =   4.361%  kept
          HA    SER   13 - QG    GLU-  15   6.84 +/- 1.01   1.102% *  0.2920% (1.00   0.02   0.02) =   0.012%
          HA    GLN   17 - QG    GLU-  15   6.60 +/- 0.44   0.339% *  0.1653% (0.57   0.02   0.64) =   0.002%
          HA    SER   13 - QB    MET   11   6.50 +/- 0.55   0.383% *  0.0704% (0.24   0.02   0.02) =   0.001%
          HA    GLN   17 - QG    GLU-  14   8.43 +/- 0.99   0.115% *  0.1454% (0.50   0.02   0.02) =   0.001%
        T HA    LEU   40 - QG    GLU-  15  12.42 +/- 1.66   0.010% *  0.2762% (0.95   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  15  12.01 +/- 1.67   0.014% *  0.1653% (0.57   0.02   0.02) =   0.000%
        T HA    GLU-  15 - QB    MET   11  11.58 +/- 0.96   0.013% *  0.0704% (0.24   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  15  15.72 +/- 0.73   0.002% *  0.2913% (1.00   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  14  16.15 +/- 1.83   0.002% *  0.1454% (0.50   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  14  17.44 +/- 1.58   0.001% *  0.2563% (0.88   0.02   0.02) =   0.000%
        T HA    LEU   40 - QG    GLU-  14  17.48 +/- 1.47   0.001% *  0.2430% (0.83   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  15  14.53 +/- 1.90   0.003% *  0.0650% (0.22   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  15  16.62 +/- 0.99   0.002% *  0.0996% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  15  14.42 +/- 1.62   0.004% *  0.0395% (0.14   0.02   0.02) =   0.000%
          HA    SER   37 - QB    MET   11  17.93 +/- 4.03   0.003% *  0.0399% (0.14   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    MET   11  15.62 +/- 1.76   0.002% *  0.0399% (0.14   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  15  19.68 +/- 1.12   0.000% *  0.1889% (0.65   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  14  20.62 +/- 1.67   0.000% *  0.1662% (0.57   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  14  18.45 +/- 1.72   0.001% *  0.0572% (0.20   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  15  19.01 +/- 0.91   0.001% *  0.0728% (0.25   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    MET   11  21.65 +/- 2.84   0.001% *  0.0666% (0.23   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  14  21.88 +/- 1.06   0.000% *  0.0876% (0.30   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  14  21.14 +/- 1.51   0.000% *  0.0641% (0.22   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  14  19.38 +/- 1.47   0.001% *  0.0348% (0.12   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    MET   11  24.11 +/- 2.71   0.000% *  0.0702% (0.24   0.02   0.02) =   0.000%
        T HA    ASN   35 - QB    MET   11  22.09 +/- 3.35   0.001% *  0.0157% (0.05   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    MET   11  24.94 +/- 2.63   0.000% *  0.0240% (0.08   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    MET   11  23.23 +/- 3.07   0.000% *  0.0095% (0.03   0.02   0.02) =   0.000%
          HA    THR   46 - QB    MET   11  28.55 +/- 2.34   0.000% *  0.0455% (0.16   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    MET   11  28.08 +/- 2.34   0.000% *  0.0176% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 84.0:
    * O T HB2   GLN   17 - HA    GLN   17   2.52 +/- 0.06  99.331% * 96.8891% (1.00   4.00  84.03) =  99.997%  kept
        T QB    GLU-  15 - HA    GLN   17   6.76 +/- 0.28   0.278% *  0.4844% (1.00   0.02   0.64) =   0.001%
        T HB3   PRO   68 - HA    GLN   17   7.98 +/- 2.00   0.202% *  0.3879% (0.80   0.02   0.02) =   0.001%
          HB    ILE   19 - HA    GLN   17   7.78 +/- 0.34   0.120% *  0.2743% (0.57   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLN   17   9.43 +/- 1.41   0.050% *  0.2358% (0.49   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLN   17  12.45 +/- 1.00   0.008% *  0.1992% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLN   17  12.14 +/- 0.53   0.008% *  0.0848% (0.18   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLN   17  19.73 +/- 0.73   0.000% *  0.3134% (0.65   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLN   17  20.99 +/- 0.52   0.000% *  0.4583% (0.95   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   17  16.33 +/- 0.71   0.001% *  0.0848% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLN   17  22.06 +/- 0.84   0.000% *  0.4802% (0.99   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   17  22.36 +/- 0.61   0.000% *  0.1079% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 84.0:
    * O T QG    GLN   17 - HA    GLN   17   2.84 +/- 0.43  99.815% * 97.6147% (0.76   4.31  84.03) =  99.999%  kept
        T HB    VAL   70 - HA    GLN   17   8.78 +/- 0.52   0.172% *  0.4947% (0.84   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    GLN   17  15.28 +/- 0.46   0.006% *  0.5870% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   17  16.54 +/- 0.91   0.004% *  0.3353% (0.57   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   17  20.56 +/- 0.79   0.001% *  0.3831% (0.65   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLN   17  20.71 +/- 0.42   0.001% *  0.3831% (0.65   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   17  18.65 +/- 0.63   0.002% *  0.2020% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.208, support = 3.66, residual support = 55.1:
    * O T HA    GLN   17 - HB2   GLN   17   2.52 +/- 0.06  43.649% * 61.8224% (0.24   4.00  84.03) =  61.399%  kept
      O T HA    GLU-  15 - QB    GLU-  15   2.42 +/- 0.16  55.395% * 30.6211% (0.15   3.12   9.12) =  38.595%  kept
          HA    SER   13 - QB    GLU-  15   5.69 +/- 0.59   0.432% *  0.1964% (0.15   0.02   0.02) =   0.002%
        T HA    GLN   17 - HB3   PRO   68   7.98 +/- 2.00   0.082% *  0.7756% (0.61   0.02   0.02) =   0.001%
        T HA    GLN   17 - QB    GLU-  15   6.76 +/- 0.28   0.120% *  0.3470% (0.27   0.02   0.64) =   0.001%
        T HA    GLU-  15 - HB2   GLN   17   6.08 +/- 0.17   0.224% *  0.1750% (0.14   0.02   0.64) =   0.001%
        T HA    GLU-  15 - HB3   PRO   68   8.17 +/- 1.68   0.064% *  0.4391% (0.34   0.02   0.02) =   0.001%
          HA    SER   13 - HB3   PRO   68  12.48 +/- 1.60   0.004% *  0.4391% (0.34   0.02   0.02) =   0.000%
          HA    SER   37 - QB    GLU-  15  12.53 +/- 1.76   0.004% *  0.3470% (0.27   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   GLN   17  11.60 +/- 0.98   0.006% *  0.1626% (0.13   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN   17  11.88 +/- 0.86   0.005% *  0.1750% (0.14   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   PRO   68  14.23 +/- 0.34   0.001% *  0.4704% (0.37   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   PRO   68  13.63 +/- 0.78   0.002% *  0.2911% (0.23   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   68  16.01 +/- 0.86   0.001% *  0.7756% (0.61   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   PRO   68  15.11 +/- 1.27   0.001% *  0.4080% (0.32   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    GLU-  15  13.72 +/- 1.10   0.002% *  0.2104% (0.16   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   17  13.48 +/- 0.44   0.002% *  0.1875% (0.15   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    GLU-  15  13.24 +/- 1.44   0.002% *  0.1302% (0.10   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   GLN   17  16.00 +/- 0.85   0.001% *  0.3064% (0.24   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    GLU-  15  16.00 +/- 0.78   0.001% *  0.1825% (0.14   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   GLN   17  19.09 +/- 0.85   0.000% *  0.3091% (0.24   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   PRO   68  22.53 +/- 1.27   0.000% *  0.7687% (0.60   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   GLN   17  16.38 +/- 0.51   0.001% *  0.1160% (0.09   0.02   0.02) =   0.000%
          HA    THR   46 - QB    GLU-  15  20.20 +/- 0.51   0.000% *  0.3439% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 84.0:
    * O T QG    GLN   17 - HB2   GLN   17   2.33 +/- 0.04  98.612% * 88.4947% (0.18   4.31  84.03) =  99.991%  kept
        T QG    GLN   17 - QB    GLU-  15   5.15 +/- 0.59   1.023% *  0.4606% (0.21   0.02   0.64) =   0.005%
        T QG    GLN   17 - HB3   PRO   68   7.90 +/- 2.05   0.201% *  1.0295% (0.46   0.02   0.02) =   0.002%
        T HB    VAL   70 - HB3   PRO   68   7.37 +/- 0.25   0.100% *  1.1252% (0.51   0.02   1.06) =   0.001%
        T HB    VAL   70 - QB    GLU-  15   8.82 +/- 1.05   0.046% *  0.5034% (0.23   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB2   GLN   17  10.86 +/- 0.45   0.010% *  0.4485% (0.20   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   PRO   68  18.31 +/- 0.44   0.000% *  1.3352% (0.60   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB3   PRO   68  17.83 +/- 1.46   0.001% *  0.8715% (0.39   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   GLN   17  16.12 +/- 0.48   0.001% *  0.5322% (0.24   0.02   0.02) =   0.000%
          HB2   MET   96 - QB    GLU-  15  16.91 +/- 1.11   0.001% *  0.5973% (0.27   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLN   17  15.34 +/- 1.10   0.001% *  0.3040% (0.14   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - QB    GLU-  15  16.94 +/- 1.59   0.001% *  0.3899% (0.18   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   PRO   68  18.86 +/- 0.55   0.000% *  0.4595% (0.21   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - QB    GLU-  15  18.71 +/- 0.99   0.000% *  0.3899% (0.18   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QB    GLU-  15  19.36 +/- 0.80   0.000% *  0.3412% (0.15   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB2   GLN   17  19.38 +/- 0.59   0.000% *  0.3473% (0.16   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   PRO   68  23.74 +/- 1.33   0.000% *  0.7627% (0.34   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QB    GLU-  15  19.96 +/- 0.93   0.000% *  0.2056% (0.09   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB3   PRO   68  25.85 +/- 1.35   0.000% *  0.8715% (0.39   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB2   GLN   17  22.14 +/- 0.72   0.000% *  0.3473% (0.16   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLN   17  20.40 +/- 0.63   0.000% *  0.1831% (0.08   0.02   0.02) =   0.000%
    Distance limit 2.73 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 = 0.752, support = 4.18, residual support = 80.8:
    * O T HA    GLN   17 - QG    GLN   17   2.84 +/- 0.43  69.670% * 89.4771% (0.76   4.31  84.03) =  96.185%  kept
          HA    GLU-  15 - QG    GLN   17   4.01 +/- 0.93  29.579% *  8.3577% (0.43   0.71   0.64) =   3.814%  kept
          HA    SER   13 - QG    GLN   17   9.20 +/- 0.78   0.069% *  0.2349% (0.43   0.02   0.02) =   0.000%
          HA    VAL   42 - HB    VAL   70   7.38 +/- 0.30   0.211% *  0.0515% (0.09   0.02   1.25) =   0.000%
          HA    LEU   40 - HB    VAL   70   6.96 +/- 0.15   0.293% *  0.0319% (0.06   0.02  33.04) =   0.000%
        T HA    GLN   17 - HB    VAL   70   8.78 +/- 0.52   0.080% *  0.0850% (0.16   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLN   17  11.36 +/- 1.36   0.017% *  0.2183% (0.40   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   17  12.71 +/- 0.67   0.009% *  0.2516% (0.46   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    VAL   70   9.89 +/- 0.83   0.047% *  0.0481% (0.09   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLN   17  16.39 +/- 1.40   0.002% *  0.4149% (0.76   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLN   17  15.83 +/- 0.70   0.002% *  0.4112% (0.76   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   70  12.62 +/- 0.44   0.008% *  0.0850% (0.16   0.02   0.02) =   0.000%
          HA    LEU   40 - QG    GLN   17  14.63 +/- 0.90   0.004% *  0.1557% (0.29   0.02   0.02) =   0.000%
          HA    PRO   58 - HB    VAL   70  14.31 +/- 0.23   0.004% *  0.0447% (0.08   0.02   0.02) =   0.000%
          HA    SER   13 - HB    VAL   70  16.16 +/- 1.19   0.002% *  0.0481% (0.09   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   70  18.33 +/- 0.34   0.001% *  0.0842% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 84.0:
    * O T HB2   GLN   17 - QG    GLN   17   2.33 +/- 0.04  98.081% * 96.4483% (0.76   4.31  84.03) =  99.993%  kept
        T QB    GLU-  15 - QG    GLN   17   5.15 +/- 0.59   1.017% *  0.4472% (0.76   0.02   0.64) =   0.005%
        T HB3   PRO   68 - QG    GLN   17   7.90 +/- 2.05   0.200% *  0.3581% (0.61   0.02   0.02) =   0.001%
          HB    ILE   19 - QG    GLN   17   7.10 +/- 1.38   0.272% *  0.2532% (0.43   0.02   0.02) =   0.001%
          HG2   PRO   68 - QG    GLN   17   9.42 +/- 1.59   0.041% *  0.2177% (0.37   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB    VAL   70   7.46 +/- 0.94   0.164% *  0.0446% (0.08   0.02   1.06) =   0.000%
        T HB3   PRO   68 - HB    VAL   70   7.37 +/- 0.25   0.100% *  0.0734% (0.13   0.02   1.06) =   0.000%
        T QB    GLU-  15 - HB    VAL   70   8.82 +/- 1.05   0.046% *  0.0916% (0.16   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLN   17  10.76 +/- 1.73   0.017% *  0.1839% (0.31   0.02   0.02) =   0.000%
          HB    ILE   19 - HB    VAL   70   9.65 +/- 0.28   0.020% *  0.0519% (0.09   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG    GLN   17  10.91 +/- 1.37   0.013% *  0.0783% (0.13   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HB    VAL   70  10.86 +/- 0.45   0.010% *  0.0916% (0.16   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLN   17  18.12 +/- 1.64   0.001% *  0.4230% (0.72   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB    VAL   70  12.97 +/- 0.80   0.004% *  0.0377% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB    VAL   70  11.27 +/- 0.42   0.008% *  0.0160% (0.03   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG    GLN   17  19.60 +/- 0.73   0.000% *  0.2893% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG    GLN   17  21.86 +/- 0.89   0.000% *  0.4433% (0.76   0.02   0.02) =   0.000%
          HB    ILE  119 - QG    GLN   17  16.87 +/- 1.00   0.001% *  0.0783% (0.13   0.02   0.02) =   0.000%
          HB    ILE  119 - HB    VAL   70  13.47 +/- 0.58   0.003% *  0.0160% (0.03   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB    VAL   70  17.07 +/- 0.77   0.001% *  0.0593% (0.10   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - HB    VAL   70  14.38 +/- 0.42   0.002% *  0.0204% (0.03   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB    VAL   70  20.21 +/- 0.63   0.000% *  0.0908% (0.16   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - QG    GLN   17  21.07 +/- 0.98   0.000% *  0.0996% (0.17   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HB    VAL   70  22.35 +/- 0.60   0.000% *  0.0867% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 68 (2.21, 2.21, 33.80 ppm):
    2 diagonal assignments:
    *     QG    GLN   17 - QG    GLN   17  (0.58)  kept
          HB    VAL   70 - HB    VAL   70  (0.13)  kept
 
    Peak 69 (4.00, 4.00, 62.64 ppm):
    1 diagonal assignment:
    *     HA    VAL   18 - HA    VAL   18  (1.00)  kept
 
    Peak 70 (1.96, 4.00, 62.64 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.58, residual support = 78.2:
    * O T HB    VAL   18 - HA    VAL   18   2.41 +/- 0.22  99.895% * 98.2714% (1.00   3.58  78.25) = 100.000%  kept
          HB2   LEU   67 - HA    VAL   18   7.87 +/- 0.56   0.092% *  0.4925% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    VAL   18  11.74 +/- 0.61   0.009% *  0.1873% (0.34   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    VAL   18  15.11 +/- 0.48   0.002% *  0.2673% (0.49   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    VAL   18  17.38 +/- 0.48   0.001% *  0.4925% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    VAL   18  16.62 +/- 0.46   0.001% *  0.2889% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 4.14, residual support = 78.2:
    * O T QG1   VAL   18 - HA    VAL   18   2.61 +/- 0.11  99.132% * 98.0956% (1.00   4.14  78.25) =  99.996%  kept
          QD1   LEU   71 - HA    VAL   18   6.59 +/- 1.01   0.671% *  0.3955% (0.84   0.02   0.02) =   0.003%
        T QG1   VAL   70 - HA    VAL   18   8.44 +/- 0.26   0.088% *  0.4641% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    VAL   18   8.42 +/- 0.76   0.099% *  0.3252% (0.69   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   18  12.87 +/- 0.57   0.007% *  0.3955% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   18  15.99 +/- 0.50   0.002% *  0.2305% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    VAL   18  17.97 +/- 0.45   0.001% *  0.0937% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 72 (0.75, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 78.2:
    * O T QG2   VAL   18 - HA    VAL   18   3.01 +/- 0.40  97.207% * 98.0213% (1.00   4.14  78.25) =  99.989%  kept
          QD1   ILE   19 - HA    VAL   18   5.92 +/- 0.15   2.035% *  0.3435% (0.73   0.02  22.37) =   0.007%
          QG1   VAL   43 - HA    VAL   18   7.58 +/- 0.62   0.465% *  0.4367% (0.92   0.02   0.02) =   0.002%
          QG2   THR   46 - HA    VAL   18   9.07 +/- 0.47   0.146% *  0.4637% (0.98   0.02   0.02) =   0.001%
        T QG1   VAL   41 - HA    VAL   18   9.55 +/- 0.33   0.118% *  0.3616% (0.76   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   18  14.65 +/- 0.37   0.009% *  0.2678% (0.57   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   18  12.76 +/- 0.48   0.021% *  0.1053% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.10 A, kept.
 
    Peak 73 (4.00, 1.96, 32.56 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.58, residual support = 78.2:
    * O T HA    VAL   18 - HB    VAL   18   2.41 +/- 0.22  99.973% * 96.6262% (1.00   3.58  78.25) = 100.000%  kept
          HA    VAL   70 - HB    VAL   18  10.12 +/- 0.72   0.018% *  0.3709% (0.69   0.02   0.02) =   0.000%
          HA    SER   48 - HB    VAL   18  14.57 +/- 0.95   0.003% *  0.3921% (0.73   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   18  15.84 +/- 0.50   0.001% *  0.5108% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   18  16.73 +/- 0.50   0.001% *  0.5388% (1.00   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   18  15.71 +/- 0.91   0.001% *  0.3709% (0.69   0.02   0.02) =   0.000%
          HA    GLN   32 - HB    VAL   18  17.38 +/- 0.63   0.001% *  0.2421% (0.45   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    VAL   18  20.60 +/- 0.59   0.000% *  0.5352% (0.99   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB    VAL   18  18.35 +/- 1.12   0.001% *  0.1501% (0.28   0.02   0.02) =   0.000%
          HA    ALA   88 - HB    VAL   18  23.27 +/- 0.48   0.000% *  0.2628% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 74 (1.96, 1.96, 32.56 ppm):
    1 diagonal assignment:
    *     HB    VAL   18 - HB    VAL   18  (1.00)  kept
 
    Peak 75 (0.86, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 78.2:
    * O T QG1   VAL   18 - HB    VAL   18   2.13 +/- 0.01  99.846% * 97.7140% (1.00   3.44  78.25) =  99.999%  kept
          HB3   LEU   63 - HB    VAL   18   7.30 +/- 1.10   0.085% *  0.3904% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB    VAL   18   8.29 +/- 1.06   0.044% *  0.4747% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   70 - HB    VAL   18   8.92 +/- 0.64   0.020% *  0.5571% (0.98   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB    VAL   18  12.12 +/- 0.79   0.003% *  0.4747% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   18  15.82 +/- 1.06   0.001% *  0.2766% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB    VAL   18  16.71 +/- 0.56   0.000% *  0.1125% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 3.24, residual support = 78.2:
    * O T QG2   VAL   18 - HB    VAL   18   2.11 +/- 0.01  99.857% * 97.4840% (1.00   3.24  78.25) =  99.999%  kept
          QG1   VAL   43 - HB    VAL   18   7.79 +/- 0.60   0.044% *  0.5553% (0.92   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   18   7.87 +/- 0.40   0.039% *  0.5896% (0.98   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   18   7.50 +/- 0.10   0.050% *  0.4368% (0.73   0.02  22.37) =   0.000%
        T QG1   VAL   41 - HB    VAL   18  10.37 +/- 0.76   0.008% *  0.4597% (0.76   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   18  14.80 +/- 0.84   0.001% *  0.3406% (0.57   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   18  13.96 +/- 0.80   0.001% *  0.1339% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 4.14, residual support = 78.2:
    * O T HA    VAL   18 - QG1   VAL   18   2.61 +/- 0.11  99.892% * 97.0727% (1.00   4.14  78.25) = 100.000%  kept
        T HA    VAL   70 - QG1   VAL   18   9.25 +/- 0.64   0.052% *  0.3218% (0.69   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   18  10.80 +/- 0.78   0.024% *  0.3402% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   18  12.67 +/- 0.49   0.008% *  0.4675% (1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   18  12.67 +/- 0.48   0.008% *  0.4432% (0.95   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   18  14.07 +/- 0.61   0.004% *  0.3218% (0.69   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   18  15.19 +/- 0.52   0.003% *  0.4644% (0.99   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   18  13.59 +/- 0.60   0.005% *  0.2101% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   18  14.54 +/- 1.03   0.004% *  0.1303% (0.28   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   18  17.59 +/- 0.38   0.001% *  0.2281% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (1.96, 0.86, 22.91 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 78.2:
    * O T HB    VAL   18 - QG1   VAL   18   2.13 +/- 0.01  99.948% * 98.2022% (1.00   3.44  78.25) = 100.000%  kept
          HB2   LEU   67 - QG1   VAL   18   8.11 +/- 0.68   0.037% *  0.5122% (0.90   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   18  12.52 +/- 0.56   0.003% *  0.5122% (0.90   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   18  11.41 +/- 0.45   0.004% *  0.2780% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG1   VAL   18  10.95 +/- 0.75   0.006% *  0.1948% (0.34   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   18  12.62 +/- 0.43   0.002% *  0.3005% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 79 (0.86, 0.86, 22.91 ppm):
    1 diagonal assignment:
    *     QG1   VAL   18 - QG1   VAL   18  (1.00)  kept
 
    Peak 80 (0.75, 0.86, 22.91 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 78.2:
    * O T QG2   VAL   18 - QG1   VAL   18   2.03 +/- 0.05  99.058% * 97.9516% (1.00   4.00  78.25) =  99.996%  kept
          QG2   THR   46 - QG1   VAL   18   5.41 +/- 0.34   0.318% *  0.4801% (0.98   0.02   0.02) =   0.002%
          QG1   VAL   43 - QG1   VAL   18   5.58 +/- 0.64   0.293% *  0.4521% (0.92   0.02   0.02) =   0.001%
          QD1   ILE   19 - QG1   VAL   18   5.36 +/- 0.13   0.299% *  0.3556% (0.73   0.02  22.37) =   0.001%
        T QG1   VAL   41 - QG1   VAL   18   8.31 +/- 0.71   0.024% *  0.3743% (0.76   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   VAL   18  10.24 +/- 0.71   0.007% *  0.1090% (0.22   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QG1   VAL   18  12.55 +/- 0.70   0.002% *  0.2773% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (4.00, 0.75, 22.78 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 78.2:
    * O T HA    VAL   18 - QG2   VAL   18   3.01 +/- 0.40  96.181% * 94.1384% (1.00   4.14  78.25) =  99.990%  kept
          HA    VAL   70 - QG1   VAL   41   6.24 +/- 0.39   1.588% *  0.2385% (0.52   0.02   2.70) =   0.004%
          HA    LYS+  33 - QG1   VAL   41   7.30 +/- 0.16   0.560% *  0.3285% (0.72   0.02   0.02) =   0.002%
          HA    GLN   32 - QG1   VAL   41   6.67 +/- 0.40   1.086% *  0.1557% (0.34   0.02   0.02) =   0.002%
        T HA    VAL   18 - QG1   VAL   41   9.55 +/- 0.33   0.116% *  0.3472% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   41   9.79 +/- 0.37   0.099% *  0.3465% (0.76   0.02   0.02) =   0.000%
          HA    VAL   70 - QG2   VAL   18   9.87 +/- 0.52   0.083% *  0.3121% (0.69   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   VAL   18  10.98 +/- 0.92   0.057% *  0.3299% (0.73   0.02   0.02) =   0.000%
          HA    VAL   70 - QD2   LEU  104   9.62 +/- 0.36   0.110% *  0.0480% (0.11   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   18  13.33 +/- 0.49   0.015% *  0.3121% (0.69   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   18  14.28 +/- 0.43   0.009% *  0.4298% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   18  14.59 +/- 0.32   0.009% *  0.4534% (1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - QG1   VAL   41  15.63 +/- 0.63   0.006% *  0.3442% (0.76   0.02   0.02) =   0.000%
          HB2   SER   82 - QG2   VAL   18  17.10 +/- 0.66   0.003% *  0.4503% (0.99   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   VAL   18  14.40 +/- 0.94   0.010% *  0.1263% (0.28   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   VAL   18  15.54 +/- 0.42   0.006% *  0.2037% (0.45   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   41  16.90 +/- 0.52   0.004% *  0.2385% (0.52   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD2   LEU  104  13.94 +/- 0.55   0.012% *  0.0660% (0.15   0.02   0.02) =   0.000%
        T HA    VAL   18 - QD2   LEU  104  14.65 +/- 0.37   0.009% *  0.0698% (0.15   0.02   0.02) =   0.000%
          HA    GLN   32 - QD2   LEU  104  13.23 +/- 0.73   0.017% *  0.0313% (0.07   0.02   0.02) =   0.000%
          HA    SER   48 - QG1   VAL   41  18.93 +/- 0.55   0.002% *  0.2521% (0.55   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   VAL   18  19.09 +/- 0.49   0.002% *  0.2212% (0.49   0.02   0.02) =   0.000%
          HA    GLN  116 - QD2   LEU  104  14.89 +/- 0.31   0.008% *  0.0480% (0.11   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   41  19.48 +/- 0.63   0.002% *  0.1690% (0.37   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD2   LEU  104  17.19 +/- 0.67   0.003% *  0.0697% (0.15   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   41  21.40 +/- 1.07   0.001% *  0.0965% (0.21   0.02   0.02) =   0.000%
          HB2   SER   82 - QD2   LEU  104  21.47 +/- 0.80   0.001% *  0.0692% (0.15   0.02   0.02) =   0.000%
          HA    SER   48 - QD2   LEU  104  23.23 +/- 0.28   0.001% *  0.0507% (0.11   0.02   0.02) =   0.000%
          HA    ALA   88 - QD2   LEU  104  23.23 +/- 0.50   0.001% *  0.0340% (0.07   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD2   LEU  104  23.42 +/- 0.91   0.001% *  0.0194% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 3.24, residual support = 78.2:
    * O T HB    VAL   18 - QG2   VAL   18   2.11 +/- 0.01  99.245% * 95.8850% (1.00   3.24  78.25) =  99.999%  kept
          HB2   LEU   40 - QG1   VAL   41   5.26 +/- 0.18   0.421% *  0.1542% (0.26   0.02  21.09) =   0.001%
          HB2   LEU   67 - QG2   VAL   18   7.75 +/- 0.64   0.048% *  0.5306% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   40 - QD2   LEU  104   6.04 +/- 0.61   0.236% *  0.0310% (0.05   0.02   0.02) =   0.000%
          HB2   LEU   67 - QG1   VAL   41   9.22 +/- 0.44   0.015% *  0.4055% (0.69   0.02   0.02) =   0.000%
        T HB    VAL   18 - QG1   VAL   41  10.37 +/- 0.76   0.008% *  0.4522% (0.76   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG2   VAL   18  10.11 +/- 0.45   0.009% *  0.2880% (0.49   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG2   VAL   18  11.68 +/- 0.46   0.004% *  0.5306% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG2   VAL   18  12.31 +/- 0.54   0.003% *  0.3113% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG2   VAL   18  11.80 +/- 0.82   0.004% *  0.2018% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  104  10.94 +/- 0.68   0.005% *  0.0815% (0.14   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   41  16.00 +/- 0.75   0.001% *  0.2379% (0.40   0.02   0.02) =   0.000%
        T HB    VAL   18 - QD2   LEU  104  14.80 +/- 0.84   0.001% *  0.0909% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   41  18.69 +/- 0.41   0.000% *  0.2201% (0.37   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   41  20.89 +/- 0.47   0.000% *  0.4055% (0.69   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU  104  15.00 +/- 0.39   0.001% *  0.0478% (0.08   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU  104  19.71 +/- 0.37   0.000% *  0.0443% (0.07   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  104  23.17 +/- 0.27   0.000% *  0.0815% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.83 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 = 0.981, support = 3.92, residual support = 76.8:
    * O T QG1   VAL   18 - QG2   VAL   18   2.03 +/- 0.05  83.107% * 87.4339% (1.00   4.00  78.25) =  98.087%  kept
      O T HB3   LEU  104 - QD2   LEU  104   2.68 +/- 0.05  16.035% *  8.8251% (0.07   5.40 216.13) =   1.910%
          QD1   LEU   71 - QG1   VAL   41   4.92 +/- 0.51   0.518% *  0.2791% (0.64   0.02   2.75) =   0.002%
          QG1   VAL   70 - QG1   VAL   41   6.21 +/- 0.26   0.107% *  0.3275% (0.75   0.02   2.70) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   7.00 +/- 0.57   0.060% *  0.3003% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   7.84 +/- 0.94   0.037% *  0.3652% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   8.58 +/- 0.47   0.016% *  0.4285% (0.98   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QG1   VAL   41   8.31 +/- 0.71   0.020% *  0.3341% (0.76   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41   7.93 +/- 0.32   0.025% *  0.1626% (0.37   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD2   LEU  104   7.26 +/- 0.37   0.042% *  0.0658% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  10.80 +/- 0.44   0.004% *  0.3652% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  10.13 +/- 0.62   0.006% *  0.2295% (0.52   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  11.63 +/- 0.64   0.003% *  0.2791% (0.64   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104   9.57 +/- 0.60   0.008% *  0.0561% (0.13   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  10.61 +/- 0.39   0.004% *  0.0561% (0.13   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  14.48 +/- 0.73   0.001% *  0.2128% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  11.15 +/- 0.31   0.003% *  0.0461% (0.11   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  12.55 +/- 0.70   0.002% *  0.0672% (0.15   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG2   VAL   18  14.08 +/- 0.58   0.001% *  0.0865% (0.20   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG1   VAL   41  14.06 +/- 0.58   0.001% *  0.0661% (0.15   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU  104  13.01 +/- 0.21   0.001% *  0.0133% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 84 (0.75, 0.75, 22.78 ppm):
    3 diagonal assignments:
    *     QG2   VAL   18 - QG2   VAL   18  (1.00)  kept
          QG1   VAL   41 - QG1   VAL   41  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.09)  kept
 
    Peak 85 (4.18, 4.18, 60.49 ppm):
    1 diagonal assignment:
    *     HA    ILE   19 - HA    ILE   19  (1.00)  kept
 
    Peak 86 (2.00, 4.18, 60.49 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 170.4:
    * O T HB    ILE   19 - HA    ILE   19   2.91 +/- 0.07  97.774% * 98.1651% (1.00   5.75 170.43) =  99.996%  kept
          HB2   GLN   17 - HA    ILE   19   5.59 +/- 0.29   2.051% *  0.1933% (0.57   0.02   0.02) =   0.004%
          QB    GLU-  15 - HA    ILE   19   8.66 +/- 0.30   0.144% *  0.1933% (0.57   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ILE   19  14.73 +/- 0.65   0.006% *  0.3384% (0.99   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    ILE   19  14.28 +/- 0.49   0.007% *  0.2609% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ILE   19  13.16 +/- 1.53   0.014% *  0.0760% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    ILE   19  17.92 +/- 0.58   0.002% *  0.1404% (0.41   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ILE   19  21.29 +/- 0.64   0.001% *  0.3384% (0.99   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    ILE   19  19.99 +/- 0.46   0.001% *  0.1281% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE   19  23.69 +/- 0.66   0.000% *  0.1662% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 87 (1.42, 4.18, 60.49 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 170.4:
    * O T HG12  ILE   19 - HA    ILE   19   2.72 +/- 0.66  96.432% * 97.8530% (1.00   6.31 170.43) =  99.994%  kept
          HB3   LYS+  74 - HA    ILE   19   5.56 +/- 0.29   2.470% *  0.1755% (0.57   0.02   8.15) =   0.005%
        T HG    LEU   73 - HA    ILE   19   7.02 +/- 0.63   0.958% *  0.1057% (0.34   0.02   5.23) =   0.001%
          QB    ALA   61 - HA    ILE   19   9.90 +/- 0.55   0.079% *  0.2689% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ILE   19  12.56 +/- 0.73   0.020% *  0.2251% (0.73   0.02   0.02) =   0.000%
        T HG    LEU   80 - HA    ILE   19  13.62 +/- 1.01   0.013% *  0.3038% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ILE   19  14.04 +/- 0.27   0.009% *  0.2369% (0.76   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    ILE   19  16.48 +/- 0.45   0.004% *  0.3072% (0.99   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ILE   19  14.74 +/- 0.55   0.007% *  0.1631% (0.53   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ILE   19  14.54 +/- 0.49   0.008% *  0.0957% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ILE   19  22.25 +/- 0.78   0.001% *  0.1880% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ILE   19  22.76 +/- 0.78   0.001% *  0.0773% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 88 (1.25, 4.18, 60.49 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 170.4:
    * O T HG13  ILE   19 - HA    ILE   19   2.69 +/- 0.66  99.371% * 97.9400% (1.00   5.75 170.43) =  99.998%  kept
          HG2   LYS+  74 - HA    ILE   19   8.07 +/- 0.37   0.271% *  0.3144% (0.92   0.02   8.15) =   0.001%
        T HG    LEU   71 - HA    ILE   19   7.89 +/- 1.28   0.199% *  0.3055% (0.90   0.02   0.02) =   0.001%
          QG2   THR   39 - HA    ILE   19  11.25 +/- 0.97   0.042% *  0.2845% (0.84   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   19   9.66 +/- 0.39   0.089% *  0.0758% (0.22   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HA    ILE   19  12.58 +/- 0.47   0.019% *  0.1278% (0.38   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ILE   19  16.74 +/- 0.71   0.003% *  0.2845% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE   19  17.85 +/- 1.50   0.003% *  0.3222% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE   19  18.90 +/- 1.85   0.002% *  0.1928% (0.57   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    ILE   19  20.31 +/- 0.59   0.001% *  0.0849% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   19  24.14 +/- 0.41   0.000% *  0.0674% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 89 (0.74, 4.18, 60.49 ppm):
    7 chemical-shift based assignments, quality = 0.988, support = 4.77, residual support = 164.2:
    *   T QD1   ILE   19 - HA    ILE   19   2.95 +/- 0.17  94.142% * 56.7073% (1.00   4.76 170.43) =  95.763%  kept
          QG2   VAL   18 - HA    ILE   19   4.83 +/- 0.27   5.541% * 42.6269% (0.73   4.93  22.37) =   4.237%  kept
          QG1   VAL   43 - HA    ILE   19   8.60 +/- 0.64   0.167% *  0.1160% (0.49   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    ILE   19   9.38 +/- 0.34   0.095% *  0.1991% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    ILE   19  10.83 +/- 0.36   0.040% *  0.0736% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    ILE   19  17.10 +/- 0.35   0.003% *  0.2300% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   98 - HA    ILE   19  13.42 +/- 0.99   0.013% *  0.0472% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.06 A, kept.
 
    Peak 90 (4.18, 2.00, 37.78 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 170.4:
    * O T HA    ILE   19 - HB    ILE   19   2.91 +/- 0.07  99.905% * 99.1570% (1.00   5.75 170.43) = 100.000%  kept
          HA    THR   26 - HB    ILE   19   9.66 +/- 0.41   0.080% *  0.0860% (0.25   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HB    ILE   19  13.38 +/- 0.38   0.011% *  0.3183% (0.92   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    ILE   19  17.08 +/- 0.68   0.003% *  0.3093% (0.90   0.02   0.02) =   0.000%
        T HA    SER   82 - HB    ILE   19  19.19 +/- 0.34   0.001% *  0.1294% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 5.3, residual support = 170.4:
    * O T HG12  ILE   19 - HB    ILE   19   2.55 +/- 0.30  94.344% * 97.4547% (1.00   5.30 170.43) =  99.992%  kept
        T HG    LEU   73 - HB    ILE   19   4.40 +/- 0.62   5.110% *  0.1253% (0.34   0.02   5.23) =   0.007%
          HB3   LYS+  74 - HB    ILE   19   6.46 +/- 0.30   0.478% *  0.2080% (0.57   0.02   8.15) =   0.001%
          QB    ALA   61 - HB    ILE   19  10.80 +/- 0.44   0.020% *  0.3187% (0.87   0.02   0.02) =   0.000%
        T HB3   LEU   67 - HB    ILE   19  11.18 +/- 0.66   0.017% *  0.2668% (0.73   0.02   0.02) =   0.000%
        T HG    LEU   80 - HB    ILE   19  12.93 +/- 0.90   0.008% *  0.3602% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB    ILE   19  13.58 +/- 0.36   0.005% *  0.2808% (0.76   0.02   0.02) =   0.000%
          QB    LEU   98 - HB    ILE   19  12.13 +/- 0.49   0.010% *  0.1134% (0.31   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB    ILE   19  14.55 +/- 0.44   0.003% *  0.1933% (0.53   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    ILE   19  16.52 +/- 0.38   0.002% *  0.3642% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB    ILE   19  20.62 +/- 0.85   0.000% *  0.2229% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB    ILE   19  19.98 +/- 0.76   0.001% *  0.0916% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 170.4:
    * O T HG13  ILE   19 - HB    ILE   19   2.47 +/- 0.25  95.080% * 97.6380% (1.00   5.00 170.43) =  99.982%  kept
        T HG    LEU   71 - HB    ILE   19   5.46 +/- 1.44   4.605% *  0.3503% (0.90   0.02   0.02) =   0.017%
        T HG2   LYS+  74 - HB    ILE   19   8.64 +/- 0.42   0.065% *  0.3605% (0.92   0.02   8.15) =   0.000%
          QB    ALA   34 - HB    ILE   19   7.23 +/- 0.39   0.191% *  0.0870% (0.22   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   19   9.25 +/- 0.95   0.044% *  0.3262% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    ILE   19  16.18 +/- 1.77   0.007% *  0.2211% (0.57   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    ILE   19  12.65 +/- 0.47   0.006% *  0.1466% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB    ILE   19  15.20 +/- 1.51   0.002% *  0.3694% (0.95   0.02   0.02) =   0.000%
          QB    ALA   91 - HB    ILE   19  16.82 +/- 0.32   0.001% *  0.3262% (0.84   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    ILE   19  19.56 +/- 0.71   0.000% *  0.0974% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB    ILE   19  23.64 +/- 0.32   0.000% *  0.0773% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 4.02, residual support = 170.4:
    * O T QD1   ILE   19 - HB    ILE   19   3.01 +/- 0.10  96.642% * 98.2801% (1.00   4.02 170.43) =  99.989%  kept
          QG2   VAL   18 - HB    ILE   19   5.74 +/- 0.16   2.092% *  0.3548% (0.73   0.02  22.37) =   0.008%
          QG1   VAL   43 - HB    ILE   19   6.72 +/- 0.65   0.933% *  0.2378% (0.49   0.02   0.02) =   0.002%
          QG2   THR   46 - HB    ILE   19   9.93 +/- 0.33   0.079% *  0.4081% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    ILE   19   8.46 +/- 0.34   0.209% *  0.1508% (0.31   0.02   0.02) =   0.000%
          QD1   LEU   98 - HB    ILE   19  11.34 +/- 0.92   0.038% *  0.0967% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    ILE   19  14.98 +/- 0.38   0.007% *  0.4716% (0.97   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 4 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 = 170.4:
    * O T HA    ILE   19 - HG12  ILE   19   2.72 +/- 0.66  97.393% * 98.4464% (1.00   6.31 170.43) =  99.998%  kept
        T HA    ILE   19 - HG    LEU   73   7.02 +/- 0.63   0.971% *  0.1018% (0.33   0.02   5.23) =   0.001%
          HA    SER   82 - HG    LEU   80   6.59 +/- 0.95   1.146% *  0.0480% (0.15   0.02   0.20) =   0.001%
          HA    GLU-  25 - HG    LEU   80   8.93 +/- 0.53   0.180% *  0.1181% (0.38   0.02   0.02) =   0.000%
          HA    THR   26 - HG12  ILE   19   9.66 +/- 0.58   0.124% *  0.0778% (0.25   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG12  ILE   19  13.89 +/- 0.58   0.013% *  0.2878% (0.92   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   80  10.30 +/- 0.61   0.076% *  0.0319% (0.10   0.02   0.02) =   0.000%
        T HA    ILE   19 - HG    LEU   80  13.62 +/- 1.01   0.013% *  0.1279% (0.41   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   73  10.54 +/- 0.29   0.057% *  0.0254% (0.08   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   73  13.02 +/- 0.30   0.015% *  0.0940% (0.30   0.02   0.02) =   0.000%
          HA    CYS   53 - HG12  ILE   19  18.69 +/- 0.85   0.002% *  0.2797% (0.90   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   80  16.97 +/- 1.24   0.004% *  0.1147% (0.37   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   73  16.53 +/- 0.56   0.004% *  0.0913% (0.29   0.02   0.02) =   0.000%
          HA    SER   82 - HG12  ILE   19  20.54 +/- 0.40   0.001% *  0.1170% (0.38   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   73  17.78 +/- 0.47   0.002% *  0.0382% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 96 (2.00, 1.42, 27.25 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 5.3, residual support = 170.4:
    * O T HB    ILE   19 - HG12  ILE   19   2.55 +/- 0.30  93.956% * 96.3418% (1.00   5.30 170.43) =  99.991%  kept
        T HB    ILE   19 - HG    LEU   73   4.40 +/- 0.62   5.089% *  0.1186% (0.33   0.02   5.23) =   0.007%
          HB2   GLN   17 - HG12  ILE   19   6.80 +/- 0.86   0.628% *  0.2056% (0.57   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG12  ILE   19   7.37 +/- 0.58   0.205% *  0.2056% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   80   9.76 +/- 0.90   0.041% *  0.1139% (0.31   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG12  ILE   19  14.07 +/- 0.74   0.005% *  0.3600% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   73  10.83 +/- 0.66   0.018% *  0.0672% (0.18   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG    LEU   80  12.93 +/- 0.90   0.008% *  0.1490% (0.41   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   73  11.20 +/- 1.32   0.017% *  0.0672% (0.18   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE   19  13.91 +/- 0.81   0.004% *  0.2776% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE   19  12.46 +/- 1.48   0.012% *  0.0809% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   73  14.13 +/- 0.38   0.004% *  0.0907% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   73  15.15 +/- 0.68   0.003% *  0.1176% (0.32   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   73  18.11 +/- 0.74   0.001% *  0.1176% (0.32   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   73  14.22 +/- 0.74   0.004% *  0.0264% (0.07   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG12  ILE   19  22.28 +/- 0.65   0.000% *  0.3600% (0.99   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG12  ILE   19  19.87 +/- 0.92   0.001% *  0.1493% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   80  18.44 +/- 1.24   0.001% *  0.0843% (0.23   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   80  21.33 +/- 1.32   0.000% *  0.1477% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG12  ILE   19  21.38 +/- 0.53   0.000% *  0.1363% (0.38   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   73  17.78 +/- 0.50   0.001% *  0.0445% (0.12   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   80  19.93 +/- 1.00   0.000% *  0.0843% (0.23   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   73  18.86 +/- 0.39   0.001% *  0.0488% (0.13   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   73  20.74 +/- 0.70   0.000% *  0.0577% (0.16   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE   19  25.06 +/- 0.70   0.000% *  0.1768% (0.49   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   80  22.14 +/- 1.23   0.000% *  0.0559% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   80  26.13 +/- 1.02   0.000% *  0.1477% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   80  23.47 +/- 1.19   0.000% *  0.0725% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   80  23.21 +/- 1.20   0.000% *  0.0613% (0.17   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   80  25.09 +/- 1.53   0.000% *  0.0332% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 5.3, residual support = 170.4:
    * O T HG13  ILE   19 - HG12  ILE   19   1.75 +/- 0.00  99.128% * 95.9344% (1.00   5.30 170.43) =  99.998%  kept
        T HG    LEU   71 - HG12  ILE   19   5.89 +/- 1.72   0.349% *  0.3244% (0.90   0.02   0.02) =   0.001%
        T HG    LEU   71 - HG    LEU   73   5.72 +/- 1.30   0.223% *  0.1059% (0.29   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HG    LEU   73   6.55 +/- 0.66   0.046% *  0.1181% (0.33   0.02   5.23) =   0.000%
          QB    ALA   34 - HG    LEU   73   4.99 +/- 0.28   0.200% *  0.0263% (0.07   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   73   8.09 +/- 0.75   0.012% *  0.0987% (0.27   0.02   0.02) =   0.000%
          QG2   THR   39 - HG12  ILE   19   9.78 +/- 1.00   0.004% *  0.3021% (0.84   0.02   0.02) =   0.000%
          QB    ALA   34 - HG12  ILE   19   8.25 +/- 0.81   0.011% *  0.0805% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG12  ILE   19  10.27 +/- 0.49   0.003% *  0.3339% (0.92   0.02   8.15) =   0.000%
          HG2   LYS+  74 - HG    LEU   73   8.94 +/- 0.48   0.006% *  0.1090% (0.30   0.02  45.45) =   0.000%
          HG2   LYS+  74 - HG    LEU   80  10.53 +/- 1.38   0.003% *  0.1370% (0.38   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   80   8.97 +/- 0.92   0.007% *  0.0370% (0.10   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   80  11.77 +/- 0.73   0.001% *  0.1239% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   73  12.19 +/- 1.43   0.001% *  0.1117% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG12  ILE   19  16.80 +/- 2.13   0.001% *  0.2048% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG12  ILE   19  16.49 +/- 1.43   0.000% *  0.3422% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   73  14.00 +/- 1.40   0.001% *  0.0669% (0.18   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HG    LEU   80  14.53 +/- 0.95   0.000% *  0.1484% (0.41   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG12  ILE   19  14.15 +/- 0.50   0.000% *  0.1358% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   73  11.75 +/- 0.43   0.001% *  0.0443% (0.12   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   80  13.86 +/- 0.97   0.000% *  0.0557% (0.15   0.02   0.02) =   0.000%
        T HG    LEU   71 - HG    LEU   80  16.33 +/- 1.68   0.000% *  0.1331% (0.37   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   80  12.67 +/- 0.60   0.001% *  0.0330% (0.09   0.02   0.02) =   0.000%
          QB    ALA   91 - HG12  ILE   19  18.34 +/- 0.47   0.000% *  0.3021% (0.84   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   73  15.57 +/- 0.52   0.000% *  0.0987% (0.27   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   80  17.29 +/- 0.74   0.000% *  0.1239% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   80  21.73 +/- 1.66   0.000% *  0.1403% (0.39   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   73  17.16 +/- 0.87   0.000% *  0.0295% (0.08   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG12  ILE   19  21.52 +/- 0.72   0.000% *  0.0902% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   80  22.33 +/- 1.40   0.000% *  0.0840% (0.23   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG12  ILE   19  25.68 +/- 0.46   0.000% *  0.0716% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   73  21.36 +/- 0.48   0.000% *  0.0234% (0.06   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   80  22.68 +/- 1.26   0.000% *  0.0294% (0.08   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 = 4.11, residual support = 170.4:
    * O T QD1   ILE   19 - HG12  ILE   19   2.16 +/- 0.00  83.554% * 96.7730% (1.00   4.11 170.43) =  99.984%  kept
          QG1   VAL   43 - HG    LEU   73   3.24 +/- 0.93  15.463% *  0.0749% (0.16   0.02  10.58) =   0.014%
          QG2   VAL   18 - HG12  ILE   19   6.45 +/- 0.56   0.134% *  0.3421% (0.73   0.02  22.37) =   0.001%
        T QD1   ILE   19 - HG    LEU   73   5.95 +/- 0.52   0.241% *  0.1539% (0.33   0.02   5.23) =   0.000%
          QG1   VAL   41 - HG    LEU   73   5.38 +/- 0.44   0.378% *  0.0475% (0.10   0.02   0.62) =   0.000%
          QG2   VAL   18 - HG    LEU   73   7.28 +/- 0.56   0.067% *  0.1117% (0.24   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG12  ILE   19   8.67 +/- 0.82   0.023% *  0.2293% (0.49   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   80   9.63 +/- 0.91   0.014% *  0.1614% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   80   8.76 +/- 0.84   0.023% *  0.0941% (0.20   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   73   7.73 +/- 1.20   0.060% *  0.0304% (0.06   0.02   0.02) =   0.000%
          QG2   THR   46 - HG12  ILE   19  11.27 +/- 0.46   0.004% *  0.3935% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG12  ILE   19   9.82 +/- 0.66   0.010% *  0.1454% (0.31   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   73   9.82 +/- 0.34   0.010% *  0.1285% (0.27   0.02   0.02) =   0.000%
        T QD1   ILE   19 - HG    LEU   80  11.12 +/- 0.96   0.005% *  0.1932% (0.41   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   73  11.93 +/- 0.52   0.003% *  0.1485% (0.32   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   80  12.97 +/- 1.06   0.002% *  0.1403% (0.30   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG12  ILE   19  16.39 +/- 0.45   0.000% *  0.4547% (0.97   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG12  ILE   19  13.11 +/- 0.95   0.002% *  0.0932% (0.20   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   80  12.69 +/- 0.80   0.002% *  0.0596% (0.13   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG    LEU   80  12.24 +/- 1.22   0.003% *  0.0382% (0.08   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   80  18.58 +/- 1.06   0.000% *  0.1865% (0.40   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.18, 1.25, 27.25 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 170.4:
    * O T HA    ILE   19 - HG13  ILE   19   2.69 +/- 0.66  99.666% * 98.9884% (1.00   5.75 170.43) = 100.000%  kept
        T HA    ILE   19 - HG    LEU   71   7.89 +/- 1.28   0.200% *  0.0493% (0.14   0.02   0.02) =   0.000%
          HA    THR   26 - HG13  ILE   19   9.86 +/- 0.35   0.086% *  0.0858% (0.25   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG13  ILE   19  14.05 +/- 0.33   0.010% *  0.3178% (0.92   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG13  ILE   19  18.62 +/- 0.67   0.002% *  0.3087% (0.90   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   71  11.72 +/- 1.15   0.027% *  0.0123% (0.04   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   71  15.17 +/- 1.18   0.006% *  0.0456% (0.13   0.02   0.02) =   0.000%
          HA    SER   82 - HG13  ILE   19  20.64 +/- 0.27   0.001% *  0.1292% (0.38   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG    LEU   71  20.94 +/- 1.07   0.001% *  0.0443% (0.13   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   71  22.36 +/- 1.31   0.001% *  0.0185% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 101 (2.00, 1.25, 27.25 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 170.4:
    * O T HB    ILE   19 - HG13  ILE   19   2.47 +/- 0.25  94.337% * 97.5463% (1.00   5.00 170.43) =  99.996%  kept
        T HB    ILE   19 - HG    LEU   71   5.46 +/- 1.44   4.561% *  0.0559% (0.14   0.02   0.02) =   0.003%
          HB2   GLN   17 - HG13  ILE   19   6.74 +/- 0.66   0.382% *  0.2209% (0.57   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG13  ILE   19   7.38 +/- 0.51   0.168% *  0.2209% (0.57   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   71   7.51 +/- 1.61   0.485% *  0.0317% (0.08   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG13  ILE   19  13.95 +/- 0.86   0.003% *  0.3867% (0.99   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE   19  14.08 +/- 0.63   0.003% *  0.2982% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   71  10.50 +/- 1.13   0.028% *  0.0317% (0.08   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE   19  12.33 +/- 1.55   0.007% *  0.0869% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   71  12.29 +/- 1.14   0.008% *  0.0554% (0.14   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   71  11.14 +/- 1.06   0.014% *  0.0125% (0.03   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG13  ILE   19  22.16 +/- 0.64   0.000% *  0.3867% (0.99   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   71  16.04 +/- 1.53   0.002% *  0.0427% (0.11   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG13  ILE   19  19.76 +/- 0.61   0.000% *  0.1604% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG13  ILE   19  21.25 +/- 0.48   0.000% *  0.1464% (0.38   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG13  ILE   19  24.93 +/- 0.72   0.000% *  0.1899% (0.49   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   71  21.37 +/- 0.86   0.000% *  0.0554% (0.14   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   71  21.61 +/- 0.88   0.000% *  0.0230% (0.06   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   71  21.24 +/- 0.80   0.000% *  0.0210% (0.05   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG    LEU   71  24.70 +/- 0.78   0.000% *  0.0272% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 5.3, residual support = 170.4:
    * O T HG12  ILE   19 - HG13  ILE   19   1.75 +/- 0.00  99.352% * 97.0495% (1.00   5.30 170.43) = 100.000%  kept
        T HG12  ILE   19 - HG    LEU   71   5.89 +/- 1.72   0.350% *  0.0525% (0.14   0.02   0.02) =   0.000%
        T HG    LEU   73 - HG13  ILE   19   6.55 +/- 0.66   0.046% *  0.1248% (0.34   0.02   5.23) =   0.000%
        T HG    LEU   73 - HG    LEU   71   5.72 +/- 1.30   0.223% *  0.0179% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG13  ILE   19   7.82 +/- 0.43   0.013% *  0.2072% (0.57   0.02   8.15) =   0.000%
          QB    ALA   61 - HG13  ILE   19  11.28 +/- 0.59   0.001% *  0.3174% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG13  ILE   19  11.82 +/- 1.06   0.001% *  0.2657% (0.73   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG    LEU   71   9.18 +/- 0.87   0.006% *  0.0381% (0.10   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG13  ILE   19  14.53 +/- 0.95   0.000% *  0.3587% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG13  ILE   19  15.22 +/- 0.18   0.000% *  0.2796% (0.76   0.02   0.02) =   0.000%
          QB    LEU   98 - HG13  ILE   19  13.80 +/- 0.91   0.000% *  0.1129% (0.31   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG13  ILE   19  14.97 +/- 0.64   0.000% *  0.1925% (0.53   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG    LEU   71  11.54 +/- 1.37   0.002% *  0.0297% (0.08   0.02   0.02) =   0.000%
          QB    LEU   98 - HG    LEU   71  10.46 +/- 0.43   0.002% *  0.0162% (0.04   0.02   0.02) =   0.000%
          QB    ALA  110 - HG13  ILE   19  18.00 +/- 0.42   0.000% *  0.3627% (0.99   0.02   0.02) =   0.000%
          QB    ALA   61 - HG    LEU   71  13.20 +/- 0.67   0.001% *  0.0455% (0.12   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG    LEU   71  16.33 +/- 1.68   0.000% *  0.0514% (0.14   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG    LEU   71  14.38 +/- 0.58   0.000% *  0.0276% (0.08   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG13  ILE   19  22.29 +/- 1.01   0.000% *  0.2219% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG    LEU   71  17.31 +/- 1.28   0.000% *  0.0401% (0.11   0.02   0.02) =   0.000%
          QB    ALA  110 - HG    LEU   71  19.11 +/- 0.77   0.000% *  0.0520% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG13  ILE   19  21.58 +/- 1.30   0.000% *  0.0912% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG    LEU   71  19.59 +/- 1.35   0.000% *  0.0318% (0.09   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG    LEU   71  16.98 +/- 0.86   0.000% *  0.0131% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.41 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 = 4.02, residual support = 170.4:
    * O T QD1   ILE   19 - HG13  ILE   19   2.16 +/- 0.00  99.055% * 97.9696% (1.00   4.02 170.43) =  99.999%  kept
          QG2   VAL   18 - HG13  ILE   19   6.36 +/- 0.30   0.158% *  0.3538% (0.73   0.02  22.37) =   0.001%
        T QD1   ILE   19 - HG    LEU   71   5.67 +/- 0.83   0.426% *  0.0698% (0.14   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG13  ILE   19   8.63 +/- 0.73   0.027% *  0.2371% (0.49   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   71   6.21 +/- 0.50   0.208% *  0.0216% (0.04   0.02   2.75) =   0.000%
          QG1   VAL   43 - HG    LEU   71   7.67 +/- 1.07   0.067% *  0.0340% (0.07   0.02   0.02) =   0.000%
          QG2   THR   46 - HG13  ILE   19  11.23 +/- 0.40   0.005% *  0.4069% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG13  ILE   19   9.76 +/- 0.76   0.013% *  0.1504% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   71   8.90 +/- 0.92   0.025% *  0.0507% (0.10   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG13  ILE   19  16.29 +/- 0.92   0.001% *  0.4702% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG13  ILE   19  13.06 +/- 0.98   0.002% *  0.0964% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   71  12.56 +/- 0.67   0.003% *  0.0674% (0.14   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   71  10.59 +/- 0.70   0.008% *  0.0138% (0.03   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   71  13.70 +/- 0.99   0.002% *  0.0583% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 4.76, residual support = 170.4:
    *   T HA    ILE   19 - QD1   ILE   19   2.95 +/- 0.17  98.910% * 98.9831% (1.00   4.76 170.43) =  99.999%  kept
          HA    THR   26 - QD1   ILE   19   6.38 +/- 0.35   1.016% *  0.1037% (0.25   0.02   0.02) =   0.001%
          HA    GLU-  25 - QD1   ILE   19  10.02 +/- 0.36   0.066% *  0.3840% (0.92   0.02   0.02) =   0.000%
          HA    CYS   53 - QD1   ILE   19  16.25 +/- 0.64   0.004% *  0.3731% (0.90   0.02   0.02) =   0.000%
          HA    SER   82 - QD1   ILE   19  15.98 +/- 0.52   0.004% *  0.1561% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 4.02, residual support = 170.4:
    * O T HB    ILE   19 - QD1   ILE   19   3.01 +/- 0.10  98.611% * 97.3973% (1.00   4.02 170.43) =  99.996%  kept
          HB2   GLN   17 - QD1   ILE   19   7.07 +/- 0.39   0.628% *  0.2742% (0.57   0.02   0.02) =   0.002%
          QB    GLU-  15 - QD1   ILE   19   7.18 +/- 0.63   0.625% *  0.2742% (0.57   0.02   0.02) =   0.002%
          HB3   GLU-  25 - QD1   ILE   19   9.91 +/- 0.64   0.088% *  0.3701% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   ILE   19  13.41 +/- 0.75   0.013% *  0.4800% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE   19  12.04 +/- 1.32   0.028% *  0.1078% (0.22   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   ILE   19  19.54 +/- 0.57   0.001% *  0.4800% (0.99   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   ILE   19  17.81 +/- 0.42   0.002% *  0.1991% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   ILE   19  19.02 +/- 0.37   0.002% *  0.1817% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE   19  21.92 +/- 0.53   0.001% *  0.2357% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 107 (1.42, 0.74, 12.33 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.11, residual support = 170.4:
    * O T HG12  ILE   19 - QD1   ILE   19   2.16 +/- 0.00  99.586% * 96.7377% (1.00   4.11 170.43) =  99.999%  kept
        T HG    LEU   73 - QD1   ILE   19   5.95 +/- 0.52   0.272% *  0.1606% (0.34   0.02   5.23) =   0.000%
          HB3   LYS+  74 - QD1   ILE   19   6.76 +/- 0.41   0.114% *  0.2666% (0.57   0.02   8.15) =   0.000%
          QB    ALA   61 - QD1   ILE   19  10.66 +/- 0.44   0.007% *  0.4085% (0.87   0.02   0.02) =   0.000%
        T HG    LEU   80 - QD1   ILE   19  11.12 +/- 0.96   0.006% *  0.4616% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   ILE   19  11.65 +/- 0.73   0.004% *  0.3420% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   19  11.76 +/- 0.45   0.004% *  0.3599% (0.76   0.02   0.02) =   0.000%
        T QB    LEU   98 - QD1   ILE   19  11.99 +/- 0.45   0.003% *  0.1454% (0.31   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD1   ILE   19  14.17 +/- 0.52   0.001% *  0.2478% (0.53   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   ILE   19  15.73 +/- 0.41   0.001% *  0.4668% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   ILE   19  20.01 +/- 0.72   0.000% *  0.2856% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   19  18.52 +/- 0.69   0.000% *  0.1174% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 4.02, residual support = 170.4:
    * O T HG13  ILE   19 - QD1   ILE   19   2.16 +/- 0.00  99.437% * 97.0804% (1.00   4.02 170.43) =  99.998%  kept
        T HG    LEU   71 - QD1   ILE   19   5.67 +/- 0.83   0.427% *  0.4329% (0.90   0.02   0.02) =   0.002%
          HG2   LYS+  74 - QD1   ILE   19   8.85 +/- 0.45   0.022% *  0.4456% (0.92   0.02   8.15) =   0.000%
          QB    ALA   34 - QD1   ILE   19   7.09 +/- 0.38   0.084% *  0.1075% (0.22   0.02   0.02) =   0.000%
          QG2   THR   39 - QD1   ILE   19   8.99 +/- 0.94   0.022% *  0.4032% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   19  14.29 +/- 1.37   0.002% *  0.2733% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QD1   ILE   19  14.63 +/- 1.41   0.001% *  0.4567% (0.95   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD1   ILE   19  12.55 +/- 0.45   0.003% *  0.1812% (0.38   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   19  15.35 +/- 0.61   0.001% *  0.4032% (0.84   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   ILE   19  17.49 +/- 0.74   0.000% *  0.1204% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   19  22.28 +/- 0.36   0.000% *  0.0955% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (0.74, 0.74, 12.33 ppm):
    1 diagonal assignment:
    *     QD1   ILE   19 - QD1   ILE   19  (1.00)  kept
 
    Peak 110 (4.63, 4.63, 51.23 ppm):
    1 diagonal assignment:
    *     HA    ALA   20 - HA    ALA   20  (1.00)  kept
 
    Peak 111 (1.14, 4.63, 51.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T QB    ALA   20 - HA    ALA   20   2.11 +/- 0.00  99.997% * 97.4600% (1.00   2.31  15.23) = 100.000%  kept
          HB3   LEU   31 - HA    ALA   20  13.46 +/- 0.15   0.001% *  0.5457% (0.65   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    ALA   20  14.54 +/- 0.36   0.001% *  0.4776% (0.57   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    ALA   20  17.97 +/- 0.56   0.000% *  0.5794% (0.69   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    ALA   20  17.68 +/- 0.32   0.000% *  0.1477% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ALA   20  23.48 +/- 0.49   0.000% *  0.6754% (0.80   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ALA   20  21.16 +/- 0.90   0.000% *  0.1142% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 112 (4.63, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 15.2:
    * O T HA    ALA   20 - QB    ALA   20   2.11 +/- 0.00  99.991% * 99.5063% (1.00   2.31  15.23) = 100.000%  kept
          HA    LEU   71 - QB    ALA   20   9.99 +/- 0.21   0.009% *  0.3232% (0.38   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    ALA   20  19.82 +/- 0.43   0.000% *  0.1704% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 2.83, residual support = 29.6:
    * O T HB2   CYS   21 - HA    CYS   21   2.90 +/- 0.08  99.987% * 99.3397% (1.00   2.83  29.58) = 100.000%  kept
          HB2   PHE   45 - HA    CYS   21  12.98 +/- 0.25   0.013% *  0.2632% (0.38   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    CYS   21  23.48 +/- 0.57   0.000% *  0.3970% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 2.61, residual support = 29.6:
    * O T HB3   CYS   21 - HA    CYS   21   2.28 +/- 0.08  99.999% * 99.5021% (0.69   2.61  29.58) = 100.000%  kept
          HG2   MET   96 - HA    CYS   21  15.47 +/- 0.57   0.001% *  0.4979% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 2.58, residual support = 29.6:
    * O T HB3   CYS   21 - HB2   CYS   21   1.75 +/- 0.00  99.999% * 99.4961% (0.69   2.58  29.58) = 100.000%  kept
          HG2   MET   96 - HB2   CYS   21  12.65 +/- 0.55   0.001% *  0.5039% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.61 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 = 2.58, residual support = 29.6:
    * O T HB2   CYS   21 - HB3   CYS   21   1.75 +/- 0.00  99.999% * 99.2747% (0.69   2.58  29.58) = 100.000%  kept
          HB2   PHE   45 - HB3   CYS   21  11.99 +/- 0.39   0.001% *  0.2891% (0.26   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   CYS   21  22.85 +/- 0.65   0.000% *  0.4362% (0.39   0.02   0.02) =   0.000%
    Distance limit 2.62 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 = 2.29, residual support = 33.2:
    * O T HB2   HIS   22 - HA    HIS   22   2.55 +/- 0.20  99.999% * 98.5595% (0.76   2.29  33.24) = 100.000%  kept
          HA    LEU   63 - HA    HIS   22  20.69 +/- 0.39   0.000% *  1.0735% (0.94   0.02   0.02) =   0.000%
          HA2   GLY  101 - HA    HIS   22  22.40 +/- 1.12   0.000% *  0.3670% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 3.44, residual support = 33.2:
    * O T HB3   HIS   22 - HA    HIS   22   2.95 +/- 0.20  99.998% * 99.5168% (0.95   3.44  33.24) = 100.000%  kept
          HD3   ARG+  54 - HA    HIS   22  18.55 +/- 1.63   0.002% *  0.4832% (0.79   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 2.29, residual support = 33.2:
    * O T HA    HIS   22 - HB2   HIS   22   2.55 +/- 0.20  99.994% * 98.2415% (0.76   2.29  33.24) = 100.000%  kept
          HA    VAL   43 - HB2   HIS   22  13.43 +/- 0.38   0.006% *  0.8587% (0.76   0.02   0.02) =   0.000%
          HA    ASN   69 - HB2   HIS   22  23.08 +/- 0.56   0.000% *  0.8998% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 127 (3.50, 3.50, 29.58 ppm):
    1 diagonal assignment:
    *     HB2   HIS   22 - HB2   HIS   22  (0.64)  kept
 
    Peak 128 (3.24, 3.50, 29.58 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 33.2:
    * O T HB3   HIS   22 - HB2   HIS   22   1.75 +/- 0.00 100.000% * 99.6098% (0.80   4.26  33.24) = 100.000%  kept
          HD3   ARG+  54 - HB2   HIS   22  19.08 +/- 1.59   0.000% *  0.3902% (0.67   0.02   0.02) =   0.000%
    Distance limit 2.74 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 = 3.44, residual support = 33.2:
    * O T HA    HIS   22 - HB3   HIS   22   2.95 +/- 0.20  99.987% * 98.8236% (0.95   3.44  33.24) = 100.000%  kept
          HA    VAL   43 - HB3   HIS   22  13.24 +/- 0.29   0.013% *  0.5745% (0.95   0.02   0.02) =   0.000%
          HA    ASN   69 - HB3   HIS   22  22.26 +/- 0.54   0.001% *  0.6019% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 130 (3.50, 3.24, 29.58 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.26, residual support = 33.2:
    * O T HB2   HIS   22 - HB3   HIS   22   1.75 +/- 0.00 100.000% * 99.2220% (0.80   4.26  33.24) = 100.000%  kept
          HA    LEU   63 - HB3   HIS   22  22.03 +/- 0.38   0.000% *  0.5798% (1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   HIS   22  24.10 +/- 1.22   0.000% *  0.1982% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.74 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 = 19.4:
    * O T QG2   THR   23 - HA    THR   23   2.21 +/- 0.09  99.987% * 98.3922% (0.80   3.25  19.40) = 100.000%  kept
          QG2   THR   77 - HA    THR   23  10.55 +/- 0.39   0.009% *  0.1684% (0.22   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    THR   23  13.58 +/- 0.29   0.002% *  0.5060% (0.67   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   23  16.10 +/- 0.44   0.001% *  0.3919% (0.52   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   23  14.42 +/- 0.51   0.001% *  0.1349% (0.18   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    THR   23  18.05 +/- 0.68   0.000% *  0.1349% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    THR   23  23.41 +/- 1.08   0.000% *  0.2716% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 134 (4.83, 1.28, 21.81 ppm):
    12 chemical-shift based assignments, quality = 0.65, support = 3.25, residual support = 19.4:
    * O T HA    THR   23 - QG2   THR   23   2.21 +/- 0.09  45.852% * 73.2997% (0.80   3.25  19.40) =  71.212%  kept
      O   HB    THR   23 - QG2   THR   23   2.15 +/- 0.01  53.376% * 25.4516% (0.28   3.25  19.40) =  28.784%  kept
          HA    LEU   80 - QG2   THR   23   4.59 +/- 0.42   0.673% *  0.2317% (0.41   0.02   4.93) =   0.003%
          HA    ASP-  78 - QB    ALA   91   6.90 +/- 1.50   0.092% *  0.0587% (0.10   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   23  10.10 +/- 0.16   0.005% *  0.5587% (0.99   0.02   0.02) =   0.000%
          HA    LEU   80 - QB    ALA   91  12.17 +/- 0.50   0.002% *  0.0244% (0.04   0.02   0.02) =   0.000%
        T HA    THR   23 - QB    ALA   91  14.42 +/- 0.51   0.001% *  0.0474% (0.08   0.02   0.02) =   0.000%
        T HA    THR   23 - QG2   THR   39  18.05 +/- 0.68   0.000% *  0.1005% (0.18   0.02   0.02) =   0.000%
          HB    THR   23 - QG2   THR   39  17.90 +/- 0.71   0.000% *  0.0349% (0.06   0.02   0.02) =   0.000%
          HA    LEU   80 - QG2   THR   39  19.27 +/- 0.61   0.000% *  0.0516% (0.09   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   39  22.49 +/- 0.57   0.000% *  0.1244% (0.22   0.02   0.02) =   0.000%
          HB    THR   23 - QB    ALA   91  16.59 +/- 0.47   0.000% *  0.0165% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 135 (1.28, 1.28, 21.81 ppm):
    3 diagonal assignments:
    *     QG2   THR   23 - QG2   THR   23  (1.00)  kept
          QG2   THR   39 - QG2   THR   39  (0.05)  kept
          QB    ALA   91 - QB    ALA   91  (0.02)  kept
 
    Peak 136 (3.77, 3.77, 66.14 ppm):
    1 diagonal assignment:
    *     HA    VAL   24 - HA    VAL   24  (1.00)  kept
 
    Peak 137 (1.10, 3.77, 66.14 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.38, residual support = 66.5:
    * O T QG1   VAL   24 - HA    VAL   24   2.33 +/- 0.45  99.941% * 98.4425% (1.00   3.38  66.49) = 100.000%  kept
          HB3   LEU   31 - HA    VAL   24   8.89 +/- 0.21   0.058% *  0.2610% (0.45   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    VAL   24  17.96 +/- 0.60   0.001% *  0.4863% (0.84   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    VAL   24  28.40 +/- 1.02   0.000% *  0.5707% (0.98   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL   24  24.78 +/- 0.81   0.000% *  0.2394% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.04 A, kept.
 
    Peak 138 (3.77, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.38, residual support = 66.5:
    * O T HA    VAL   24 - QG1   VAL   24   2.33 +/- 0.45  99.998% * 99.2691% (1.00   3.38  66.49) = 100.000%  kept
          HA    LYS+  38 - QG1   VAL   24  16.32 +/- 0.81   0.001% *  0.3798% (0.65   0.02   0.02) =   0.000%
          HA    ALA   61 - QG1   VAL   24  18.48 +/- 0.68   0.001% *  0.1307% (0.22   0.02   0.02) =   0.000%
          HD2   PRO   68 - QG1   VAL   24  21.99 +/- 0.90   0.000% *  0.2204% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 139 (1.10, 1.10, 23.10 ppm):
    1 diagonal assignment:
    *     QG1   VAL   24 - QG1   VAL   24  (1.00)  kept
 
    Peak 140 (4.18, 4.18, 61.45 ppm):
    2 diagonal assignments:
    *     HA    GLU-  25 - HA    GLU-  25  (1.00)  kept
          HA    SER   82 - HA    SER   82  (0.20)  kept
 
    Peak 141 (2.20, 4.18, 61.45 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 125.4:
    * O T HB2   GLU-  25 - HA    GLU-  25   2.96 +/- 0.04  99.953% * 98.3063% (1.00   5.00 125.36) = 100.000%  kept
        T HB2   GLU-  25 - HA    SER   82  11.34 +/- 0.93   0.037% *  0.1274% (0.32   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU-  25  18.34 +/- 1.46   0.002% *  0.3854% (0.98   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    GLU-  25  17.03 +/- 0.57   0.003% *  0.2226% (0.57   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU-  25  21.34 +/- 0.39   0.001% *  0.3720% (0.95   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   82  17.58 +/- 0.60   0.002% *  0.0721% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  25  20.63 +/- 0.84   0.001% *  0.1341% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    SER   82  23.14 +/- 1.15   0.000% *  0.1249% (0.32   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  25  22.56 +/- 0.65   0.001% *  0.0689% (0.18   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    SER   82  26.38 +/- 0.42   0.000% *  0.1205% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   82  27.77 +/- 1.03   0.000% *  0.0435% (0.11   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   82  28.16 +/- 0.76   0.000% *  0.0223% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 125.4:
    * O T HB3   GLU-  25 - HA    GLU-  25   2.77 +/- 0.05  99.884% * 96.8331% (1.00   5.00 125.36) = 100.000%  kept
          HG3   GLN   30 - HA    GLU-  25   9.36 +/- 0.72   0.081% *  0.0966% (0.25   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    SER   82  11.69 +/- 1.16   0.022% *  0.1255% (0.32   0.02   0.02) =   0.000%
        T HB    ILE   19 - HA    GLU-  25  13.38 +/- 0.38   0.008% *  0.2960% (0.76   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU-  25  18.76 +/- 1.05   0.001% *  0.3664% (0.95   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU-  25  19.94 +/- 0.40   0.001% *  0.3664% (0.95   0.02   0.02) =   0.000%
        T HB    ILE   19 - HA    SER   82  19.19 +/- 0.34   0.001% *  0.0959% (0.25   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    SER   82  17.47 +/- 0.87   0.002% *  0.0313% (0.08   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU-  25  25.52 +/- 0.99   0.000% *  0.2349% (0.61   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  25  27.29 +/- 0.78   0.000% *  0.3235% (0.84   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  25  26.85 +/- 0.69   0.000% *  0.2661% (0.69   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    SER   82  24.66 +/- 0.52   0.000% *  0.1187% (0.31   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    SER   82  25.42 +/- 0.76   0.000% *  0.1187% (0.31   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    SER   82  25.10 +/- 0.73   0.000% *  0.1048% (0.27   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  25  30.63 +/- 0.74   0.000% *  0.3474% (0.90   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    SER   82  27.55 +/- 0.64   0.000% *  0.1125% (0.29   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    SER   82  31.50 +/- 1.03   0.000% *  0.0761% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    SER   82  32.54 +/- 0.49   0.000% *  0.0862% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 125.4:
    * O T HG2   GLU-  25 - HA    GLU-  25   2.09 +/- 0.19  99.984% * 98.9747% (1.00   4.31 125.36) = 100.000%  kept
          HB3   TRP   87 - HA    SER   82   9.79 +/- 0.06   0.011% *  0.0667% (0.15   0.02   0.02) =   0.000%
        T HG2   GLU-  25 - HA    SER   82  11.65 +/- 0.92   0.004% *  0.1487% (0.32   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    GLU-  25  17.71 +/- 0.92   0.000% *  0.2058% (0.45   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    GLU-  25  22.01 +/- 0.50   0.000% *  0.1565% (0.34   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    SER   82  22.06 +/- 0.50   0.000% *  0.0507% (0.11   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    GLU-  25  33.99 +/- 0.65   0.000% *  0.1722% (0.38   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    GLU-  25  32.52 +/- 0.70   0.000% *  0.1276% (0.28   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    SER   82  32.92 +/- 0.47   0.000% *  0.0558% (0.12   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    SER   82  31.82 +/- 0.51   0.000% *  0.0413% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 144 (2.33, 4.18, 61.45 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 125.4:
    * O T HG3   GLU-  25 - HA    GLU-  25   3.33 +/- 0.08  99.800% * 97.5747% (1.00   3.73 125.36) = 100.000%  kept
          HB2   GLU-  79 - HA    SER   82  10.55 +/- 0.31   0.103% *  0.1029% (0.20   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  25  13.15 +/- 0.43   0.027% *  0.3176% (0.61   0.02   0.02) =   0.000%
        T HG3   GLU-  25 - HA    SER   82  12.16 +/- 0.84   0.047% *  0.1696% (0.32   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU-  25  15.51 +/- 0.86   0.010% *  0.2348% (0.45   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    SER   82  17.09 +/- 2.40   0.007% *  0.0761% (0.15   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  25  23.30 +/- 1.93   0.001% *  0.2348% (0.45   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    SER   82  23.02 +/- 1.06   0.001% *  0.1605% (0.31   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  25  28.29 +/- 0.99   0.000% *  0.4954% (0.95   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  25  25.73 +/- 0.62   0.000% *  0.2755% (0.53   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    SER   82  23.74 +/- 0.50   0.001% *  0.0893% (0.17   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    SER   82  24.80 +/- 0.99   0.001% *  0.0761% (0.15   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    GLU-  25  29.11 +/- 0.54   0.000% *  0.1456% (0.28   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    SER   82  29.12 +/- 0.43   0.000% *  0.0472% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.08 A, kept.
 
    Peak 145 (4.18, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 125.4:
    * O T HA    GLU-  25 - HB2   GLU-  25   2.96 +/- 0.04  99.953% * 99.1212% (1.00   5.00 125.36) = 100.000%  kept
        T HA    SER   82 - HB2   GLU-  25  11.34 +/- 0.93   0.037% *  0.2405% (0.61   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   GLU-  25  13.98 +/- 0.40   0.009% *  0.3660% (0.92   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   GLU-  25  24.20 +/- 0.64   0.000% *  0.2723% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.0, residual support = 125.4:
    * O T HB3   GLU-  25 - HB2   GLU-  25   1.75 +/- 0.00  99.996% * 97.6826% (1.00   5.00 125.36) = 100.000%  kept
          HG3   GLN   30 - HB2   GLU-  25   9.82 +/- 0.79   0.004% *  0.0974% (0.25   0.02   0.02) =   0.000%
          HB    ILE   19 - HB2   GLU-  25  13.52 +/- 0.52   0.000% *  0.2986% (0.76   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HB2   GLU-  25  18.71 +/- 0.99   0.000% *  0.3696% (0.95   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HB2   GLU-  25  19.38 +/- 0.59   0.000% *  0.3696% (0.95   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB2   GLU-  25  25.85 +/- 1.35   0.000% *  0.2370% (0.61   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB2   GLU-  25  28.20 +/- 0.70   0.000% *  0.3264% (0.84   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB2   GLU-  25  27.30 +/- 0.73   0.000% *  0.2684% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU-  25  31.43 +/- 0.67   0.000% *  0.3504% (0.90   0.02   0.02) =   0.000%
    Distance limit 2.47 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 = 4.31, residual support = 125.4:
    * O T HG2   GLU-  25 - HB2   GLU-  25   2.89 +/- 0.17  99.998% * 99.3355% (1.00   4.31 125.36) = 100.000%  kept
          HB3   TRP   87 - HB2   GLU-  25  18.71 +/- 1.03   0.002% *  0.2065% (0.45   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB2   GLU-  25  23.00 +/- 0.46   0.000% *  0.1571% (0.34   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   GLU-  25  34.49 +/- 0.66   0.000% *  0.1729% (0.38   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB2   GLU-  25  33.02 +/- 0.70   0.000% *  0.1281% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 3.74, residual support = 125.4:
    * O T HG3   GLU-  25 - HB2   GLU-  25   2.75 +/- 0.12  99.984% * 98.2915% (1.00   3.74 125.36) = 100.000%  kept
          HB2   GLU-  79 - HB2   GLU-  25  12.13 +/- 0.50   0.014% *  0.3185% (0.61   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   GLU-  25  17.35 +/- 0.77   0.002% *  0.2354% (0.45   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  25  23.65 +/- 1.80   0.000% *  0.2354% (0.45   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB2   GLU-  25  28.13 +/- 0.76   0.000% *  0.4968% (0.95   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  25  26.58 +/- 0.60   0.000% *  0.2763% (0.53   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   GLU-  25  28.89 +/- 0.58   0.000% *  0.1460% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 150 (4.18, 2.01, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 125.4:
    * O T HA    GLU-  25 - HB3   GLU-  25   2.77 +/- 0.05  99.972% * 99.1212% (1.00   5.00 125.36) = 100.000%  kept
        T HA    SER   82 - HB3   GLU-  25  11.69 +/- 1.16   0.022% *  0.2405% (0.61   0.02   0.02) =   0.000%
        T HA    ILE   19 - HB3   GLU-  25  14.28 +/- 0.49   0.006% *  0.3660% (0.92   0.02   0.02) =   0.000%
          HA    CYS   53 - HB3   GLU-  25  24.72 +/- 0.85   0.000% *  0.2723% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 5.0, residual support = 125.4:
    * O T HB2   GLU-  25 - HB3   GLU-  25   1.75 +/- 0.00 100.000% * 98.8109% (1.00   5.00 125.36) = 100.000%  kept
        T QG    GLN   17 - HB3   GLU-  25  18.12 +/- 1.64   0.000% *  0.3874% (0.98   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU-  25  18.66 +/- 0.50   0.000% *  0.2238% (0.57   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB3   GLU-  25  22.35 +/- 0.60   0.000% *  0.3739% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB3   GLU-  25  22.38 +/- 1.17   0.000% *  0.1348% (0.34   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLU-  25  24.54 +/- 0.74   0.000% *  0.0692% (0.18   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 = 125.4:
    * O T HG2   GLU-  25 - HB3   GLU-  25   2.83 +/- 0.09  99.998% * 99.3545% (1.00   4.44 125.36) = 100.000%  kept
          HB3   TRP   87 - HB3   GLU-  25  19.04 +/- 1.05   0.001% *  0.2006% (0.45   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB3   GLU-  25  23.27 +/- 0.42   0.000% *  0.1526% (0.34   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   GLU-  25  34.86 +/- 0.63   0.000% *  0.1679% (0.38   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB3   GLU-  25  33.38 +/- 0.68   0.000% *  0.1244% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 125.4:
    * O T HG3   GLU-  25 - HB3   GLU-  25   2.31 +/- 0.09  99.995% * 98.3449% (1.00   3.87 125.36) = 100.000%  kept
          HB2   GLU-  79 - HB3   GLU-  25  12.76 +/- 0.61   0.004% *  0.3086% (0.61   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   GLU-  25  16.98 +/- 1.15   0.001% *  0.2281% (0.45   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  25  24.13 +/- 1.87   0.000% *  0.2281% (0.45   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   GLU-  25  28.65 +/- 1.17   0.000% *  0.4813% (0.95   0.02   0.02) =   0.000%
        T QG    GLU- 114 - HB3   GLU-  25  26.86 +/- 0.54   0.000% *  0.2677% (0.53   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU-  25  29.31 +/- 0.56   0.000% *  0.1415% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 155 (4.18, 2.52, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 125.4:
    * O T HA    GLU-  25 - HG2   GLU-  25   2.09 +/- 0.19  99.995% * 98.9827% (1.00   4.31 125.36) = 100.000%  kept
        T HA    SER   82 - HG2   GLU-  25  11.65 +/- 0.92   0.004% *  0.2784% (0.61   0.02   0.02) =   0.000%
          HA    ILE   19 - HG2   GLU-  25  15.95 +/- 0.37   0.001% *  0.4237% (0.92   0.02   0.02) =   0.000%
          HA    CYS   53 - HG2   GLU-  25  26.10 +/- 0.70   0.000% *  0.3153% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 4.31, residual support = 125.4:
    * O T HB2   GLU-  25 - HG2   GLU-  25   2.89 +/- 0.17  99.996% * 98.6242% (1.00   4.31 125.36) = 100.000%  kept
          QG    GLN   17 - HG2   GLU-  25  19.61 +/- 1.51   0.001% *  0.4482% (0.98   0.02   0.02) =   0.000%
          HB2   MET   96 - HG2   GLU-  25  19.02 +/- 0.62   0.001% *  0.2589% (0.57   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   GLU-  25  23.14 +/- 0.50   0.000% *  0.4326% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  25  22.03 +/- 0.86   0.001% *  0.1560% (0.34   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  25  24.11 +/- 0.83   0.000% *  0.0801% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 125.4:
    * O T HB3   GLU-  25 - HG2   GLU-  25   2.83 +/- 0.09  99.958% * 97.3988% (1.00   4.44 125.36) = 100.000%  kept
          HG3   GLN   30 - HG2   GLU-  25  10.87 +/- 0.78   0.035% *  0.1094% (0.25   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   GLU-  25  15.06 +/- 0.50   0.005% *  0.3352% (0.76   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLU-  25  19.89 +/- 1.14   0.001% *  0.4149% (0.95   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLU-  25  21.42 +/- 0.54   0.001% *  0.4149% (0.95   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLU-  25  27.10 +/- 1.18   0.000% *  0.2660% (0.61   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   GLU-  25  29.03 +/- 0.75   0.000% *  0.3663% (0.84   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   GLU-  25  28.47 +/- 0.78   0.000% *  0.3013% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU-  25  32.55 +/- 0.74   0.000% *  0.3933% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 125.4:
    * O T HG3   GLU-  25 - HG2   GLU-  25   1.75 +/- 0.00  99.999% * 98.0735% (1.00   3.31 125.36) = 100.000%  kept
          HB2   GLU-  79 - HG2   GLU-  25  14.37 +/- 0.53   0.000% *  0.3592% (0.61   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   GLU-  25  16.39 +/- 1.09   0.000% *  0.2655% (0.45   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  25  24.92 +/- 1.97   0.000% *  0.2655% (0.45   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  25  29.92 +/- 0.87   0.000% *  0.5602% (0.95   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  25  27.48 +/- 0.69   0.000% *  0.3115% (0.53   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU-  25  30.88 +/- 0.55   0.000% *  0.1646% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 160 (4.18, 2.33, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.73, residual support = 125.4:
    * O T HA    GLU-  25 - HG3   GLU-  25   3.33 +/- 0.08  99.945% * 98.8243% (1.00   3.73 125.36) = 100.000%  kept
        T HA    SER   82 - HG3   GLU-  25  12.16 +/- 0.84   0.047% *  0.3217% (0.61   0.02   0.02) =   0.000%
        T HA    ILE   19 - HG3   GLU-  25  16.28 +/- 0.30   0.007% *  0.4896% (0.92   0.02   0.02) =   0.000%
          HA    CYS   53 - HG3   GLU-  25  26.68 +/- 0.75   0.000% *  0.3643% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.03 A, kept.
 
    Peak 161 (2.20, 2.33, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 125.4:
    * O T HB2   GLU-  25 - HG3   GLU-  25   2.75 +/- 0.12  99.998% * 98.4180% (1.00   3.74 125.36) = 100.000%  kept
          QG    GLN   17 - HG3   GLU-  25  19.84 +/- 1.53   0.001% *  0.5154% (0.98   0.02   0.02) =   0.000%
          HB2   MET   96 - HG3   GLU-  25  20.24 +/- 0.56   0.001% *  0.2977% (0.57   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   GLU-  25  24.06 +/- 0.44   0.000% *  0.4974% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG3   GLU-  25  23.24 +/- 0.88   0.000% *  0.1794% (0.34   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  25  25.46 +/- 0.72   0.000% *  0.0921% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.16 A, kept.
 
    Peak 162 (2.01, 2.33, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 125.4:
    * O T HB3   GLU-  25 - HG3   GLU-  25   2.31 +/- 0.09  99.991% * 97.0232% (1.00   3.87 125.36) = 100.000%  kept
          HG3   GLN   30 - HG3   GLU-  25  11.51 +/- 0.69   0.007% *  0.1252% (0.25   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   GLU-  25  15.64 +/- 0.42   0.001% *  0.3836% (0.76   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   GLU-  25  20.21 +/- 0.97   0.000% *  0.4748% (0.95   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   GLU-  25  21.69 +/- 0.49   0.000% *  0.4748% (0.95   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   GLU-  25  27.70 +/- 1.09   0.000% *  0.3044% (0.61   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HG3   GLU-  25  30.02 +/- 0.76   0.000% *  0.4192% (0.84   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   GLU-  25  29.14 +/- 0.71   0.000% *  0.3448% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   GLU-  25  33.57 +/- 0.75   0.000% *  0.4501% (0.90   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 163 (2.52, 2.33, 37.82 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 125.4:
    * O T HG2   GLU-  25 - HG3   GLU-  25   1.75 +/- 0.00 100.000% * 99.1364% (1.00   3.31 125.36) = 100.000%  kept
          HB3   TRP   87 - HG3   GLU-  25  20.02 +/- 0.96   0.000% *  0.2684% (0.45   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLU-  25  25.07 +/- 0.49   0.000% *  0.2042% (0.34   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG3   GLU-  25  36.81 +/- 0.64   0.000% *  0.2246% (0.38   0.02   0.02) =   0.000%
          HG2   GLN  116 - HG3   GLU-  25  35.34 +/- 0.69   0.000% *  0.1664% (0.28   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 = 0.02, residual support = 27.7:
    * O T HB    THR   26 - HA    THR   26   2.98 +/- 0.02 100.000% * 36.7127% (1.00   0.02  27.70) = 100.000%  kept
          HA    ASP-  62 - HA    THR   26  24.06 +/- 0.51   0.000% * 33.8901% (0.92   0.02   0.02) =   0.000%
          HA    SER  117 - HA    THR   26  31.52 +/- 0.32   0.000% * 29.3972% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 20 structures by 0.58 A, eliminated.
    Peak unassigned.
 
    Peak 167 (1.50, 4.15, 66.74 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 27.7:
    * O T QG2   THR   26 - HA    THR   26   2.74 +/- 0.05  99.990% * 96.9326% (1.00   2.81  27.70) = 100.000%  kept
          HB2   LYS+  74 - HA    THR   26  13.30 +/- 0.27   0.008% *  0.6190% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR   26  21.86 +/- 0.99   0.000% *  0.6840% (0.99   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    THR   26  19.29 +/- 0.58   0.001% *  0.1919% (0.28   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    THR   26  23.50 +/- 0.75   0.000% *  0.4465% (0.65   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR   26  21.14 +/- 0.53   0.000% *  0.1366% (0.20   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    THR   26  28.67 +/- 1.06   0.000% *  0.6660% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    THR   26  26.80 +/- 0.61   0.000% *  0.1366% (0.20   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    THR   26  26.45 +/- 0.31   0.000% *  0.0934% (0.14   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    THR   26  27.59 +/- 1.12   0.000% *  0.0934% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 168 (4.15, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 0.02, residual support = 27.7:
    * O T HA    THR   26 - HB    THR   26   2.98 +/- 0.02  99.643% * 22.7542% (1.00   0.02  27.70) =  99.893%  kept
          HA    ASN   28 - HB    THR   26   8.00 +/- 0.13   0.267% *  7.0230% (0.31   0.02   0.11) =   0.083%
          HA    ILE   19 - HB    THR   26   9.79 +/- 0.25   0.080% *  5.6738% (0.25   0.02   0.02) =   0.020%
          HA    ALA   34 - HB    THR   26  14.89 +/- 0.50   0.007% * 11.0757% (0.49   0.02   0.02) =   0.003%
          HA1   GLY  101 - HB    THR   26  19.38 +/- 1.53   0.001% * 15.6300% (0.69   0.02   0.02) =   0.001%
          HA    CYS   53 - HB    THR   26  21.14 +/- 0.63   0.001% * 11.0757% (0.49   0.02   0.02) =   0.000%
          HA    LEU  115 - HB    THR   26  25.90 +/- 0.36   0.000% *  7.7616% (0.34   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB    THR   26  30.15 +/- 0.47   0.000% * 19.0059% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 20 structures by 0.47 A, eliminated.
    Peak unassigned.
 
    Peak 169 (4.23, 4.23, 69.37 ppm):
    1 diagonal assignment:
    *     HB    THR   26 - HB    THR   26  (1.00)  kept
 
    Peak 170 (1.50, 4.23, 69.37 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 27.7:
    * O T QG2   THR   26 - HB    THR   26   2.16 +/- 0.01  99.996% * 97.0818% (1.00   2.96  27.70) = 100.000%  kept
          HB2   LYS+  74 - HB    THR   26  11.91 +/- 0.30   0.004% *  0.5889% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB    THR   26  21.27 +/- 0.85   0.000% *  0.6508% (0.99   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB    THR   26  23.42 +/- 0.82   0.000% *  0.4248% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB    THR   26  20.39 +/- 0.60   0.000% *  0.1826% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB    THR   26  28.85 +/- 0.95   0.000% *  0.6337% (0.97   0.02   0.02) =   0.000%
          HG    LEU  104 - HB    THR   26  22.14 +/- 0.49   0.000% *  0.1299% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB    THR   26  26.98 +/- 0.50   0.000% *  0.1299% (0.20   0.02   0.02) =   0.000%
        T QB    ALA  120 - HB    THR   26  26.41 +/- 0.28   0.000% *  0.0889% (0.14   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    THR   26  26.66 +/- 1.10   0.000% *  0.0889% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 2.81, residual support = 27.7:
    * O T HA    THR   26 - QG2   THR   26   2.74 +/- 0.05  98.702% * 97.6400% (1.00   2.81  27.70) =  99.997%  kept
          HA    ASN   28 - QG2   THR   26   6.50 +/- 0.11   0.566% *  0.2146% (0.31   0.02   0.11) =   0.001%
          HA    ILE   19 - QG2   THR   26   6.30 +/- 0.24   0.698% *  0.1733% (0.25   0.02   0.02) =   0.001%
          HA    ALA   34 - QG2   THR   26  10.85 +/- 0.47   0.028% *  0.3384% (0.49   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   THR   26  15.22 +/- 1.26   0.004% *  0.4775% (0.69   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   THR   26  16.80 +/- 0.62   0.002% *  0.3384% (0.49   0.02   0.02) =   0.000%
        T HA    LEU  115 - QG2   THR   26  20.28 +/- 0.35   0.001% *  0.2371% (0.34   0.02   0.02) =   0.000%
        T HA    GLU- 114 - QG2   THR   26  23.93 +/- 0.44   0.000% *  0.5807% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 172 (4.23, 1.50, 23.02 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 27.7:
    * O T HB    THR   26 - QG2   THR   26   2.16 +/- 0.01 100.000% * 98.8475% (1.00   2.96  27.70) = 100.000%  kept
          HA    ASP-  62 - QG2   THR   26  17.74 +/- 0.44   0.000% *  0.6171% (0.92   0.02   0.02) =   0.000%
        T HA    SER  117 - QG2   THR   26  24.53 +/- 0.29   0.000% *  0.5353% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 173 (1.50, 1.50, 23.02 ppm):
    1 diagonal assignment:
    *     QG2   THR   26 - QG2   THR   26  (1.00)  kept
 
    Peak 174 (4.49, 4.49, 60.67 ppm):
    1 diagonal assignment:
    *     HA    TRP   27 - HA    TRP   27  (1.00)  kept
 
    Peak 175 (3.56, 4.49, 60.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 94.8:
    * O T HB2   TRP   27 - HA    TRP   27   2.97 +/- 0.04  99.980% * 99.3516% (1.00   4.44  94.76) = 100.000%  kept
          HA    THR   77 - HA    TRP   27  12.48 +/- 0.28   0.018% *  0.2007% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   93 - HA    TRP   27  19.69 +/- 0.33   0.001% *  0.4477% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 176 (2.99, 4.49, 60.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 94.8:
    * O T HB3   TRP   27 - HA    TRP   27   2.29 +/- 0.04  99.996% * 98.7362% (1.00   4.44  94.76) = 100.000%  kept
          QE    LYS+ 106 - HA    TRP   27  15.94 +/- 1.09   0.001% *  0.3054% (0.69   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    TRP   27  16.73 +/- 0.36   0.001% *  0.4436% (1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    TRP   27  15.32 +/- 0.46   0.001% *  0.2164% (0.49   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    TRP   27  15.57 +/- 0.58   0.001% *  0.1993% (0.45   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    TRP   27  16.83 +/- 0.96   0.001% *  0.0990% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 177 (4.49, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 94.8:
    * O T HA    TRP   27 - HB2   TRP   27   2.97 +/- 0.04  99.995% * 98.9963% (1.00   4.44  94.76) = 100.000%  kept
          HA    ALA   91 - HB2   TRP   27  16.75 +/- 1.41   0.003% *  0.4118% (0.92   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   TRP   27  21.15 +/- 0.52   0.001% *  0.3572% (0.80   0.02   0.02) =   0.000%
          HA    PRO   52 - HB2   TRP   27  23.74 +/- 0.74   0.000% *  0.2347% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 94.8:
    * O T HB3   TRP   27 - HB2   TRP   27   1.75 +/- 0.00  99.999% * 98.8702% (1.00   4.97  94.76) = 100.000%  kept
          QE    LYS+ 106 - HB2   TRP   27  15.91 +/- 1.13   0.000% *  0.2730% (0.69   0.02   0.02) =   0.000%
          HB2   PHE   97 - HB2   TRP   27  17.82 +/- 0.46   0.000% *  0.3966% (1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   TRP   27  16.83 +/- 0.53   0.000% *  0.1935% (0.49   0.02   0.02) =   0.000%
          QE    LYS+  99 - HB2   TRP   27  17.41 +/- 0.52   0.000% *  0.1782% (0.45   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB2   TRP   27  18.30 +/- 0.87   0.000% *  0.0885% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 180 (4.49, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 94.8:
    * O T HA    TRP   27 - HB3   TRP   27   2.29 +/- 0.04  99.999% * 98.9970% (1.00   4.44  94.76) = 100.000%  kept
          HA    ALA   91 - HB3   TRP   27  15.89 +/- 1.51   0.001% *  0.4115% (0.92   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   TRP   27  20.02 +/- 0.56   0.000% *  0.3570% (0.80   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   TRP   27  22.32 +/- 0.67   0.000% *  0.2345% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 94.8:
    * O T HB2   TRP   27 - HB3   TRP   27   1.75 +/- 0.00  99.998% * 99.4211% (1.00   4.97  94.76) = 100.000%  kept
          HA    THR   77 - HB3   TRP   27  10.40 +/- 0.29   0.002% *  0.1792% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   93 - HB3   TRP   27  18.17 +/- 0.45   0.000% *  0.3997% (1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 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 = 4.23, residual support = 100.4:
    * O T HB2   ASN   28 - HA    ASN   28   3.01 +/- 0.03  99.207% * 98.2019% (1.00   4.23 100.40) =  99.997%  kept
          QE    LYS+  33 - HA    ASN   28   8.45 +/- 1.48   0.340% *  0.4549% (0.98   0.02   0.02) =   0.002%
        T HB2   ASN   35 - HA    ASN   28   7.55 +/- 0.42   0.426% *  0.2081% (0.45   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HA    ASN   28  13.47 +/- 0.87   0.014% *  0.3716% (0.80   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   28  13.99 +/- 0.51   0.010% *  0.0716% (0.15   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   28  17.92 +/- 0.46   0.002% *  0.2442% (0.53   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   28  21.84 +/- 1.40   0.001% *  0.4479% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (2.73, 4.13, 56.27 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 100.4:
    * O T HB3   ASN   28 - HA    ASN   28   2.73 +/- 0.05  99.260% * 99.2689% (1.00   4.20 100.40) =  99.997%  kept
          HG2   GLN   30 - HA    ASN   28   6.34 +/- 0.56   0.740% *  0.4363% (0.92   0.02   6.56) =   0.003%
          QE    LYS+ 121 - HA    ASN   28  22.49 +/- 1.14   0.000% *  0.2119% (0.45   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASN   28  22.33 +/- 1.32   0.000% *  0.0828% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 4.23, residual support = 100.4:
    * O T HA    ASN   28 - HB2   ASN   28   3.01 +/- 0.03  91.899% * 96.8291% (1.00   4.23 100.40) =  99.988%  kept
          HA    THR   26 - HB2   ASN   28   5.15 +/- 0.24   3.808% *  0.1412% (0.31   0.02   0.11) =   0.006%
          HA    ALA   34 - HB2   ASN   35   5.58 +/- 0.03   2.264% *  0.1346% (0.29   0.02  17.92) =   0.003%
          HA1   GLY  101 - HB2   ASN   35   7.11 +/- 1.57   1.577% *  0.1140% (0.25   0.02   0.02) =   0.002%
        T HA    ASN   28 - HB2   ASN   35   7.55 +/- 0.42   0.396% *  0.1423% (0.31   0.02   0.02) =   0.001%
          HA    ALA   34 - HB2   ASN   28  12.64 +/- 0.16   0.017% *  0.4329% (0.95   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ASN   28  14.85 +/- 1.65   0.007% *  0.3664% (0.80   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   ASN   35  12.21 +/- 0.28   0.021% *  0.0439% (0.10   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   28  14.33 +/- 0.36   0.008% *  0.0801% (0.18   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   28  26.32 +/- 0.64   0.000% *  0.4566% (1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   28  25.79 +/- 0.90   0.000% *  0.2960% (0.65   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   35  23.71 +/- 0.73   0.000% *  0.1420% (0.31   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   28  30.07 +/- 0.78   0.000% *  0.2960% (0.65   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   35  26.01 +/- 0.91   0.000% *  0.0749% (0.16   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   35  27.09 +/- 0.87   0.000% *  0.0921% (0.20   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   35  21.81 +/- 0.42   0.001% *  0.0249% (0.05   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   35  27.57 +/- 0.73   0.000% *  0.0921% (0.20   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   28  32.66 +/- 0.93   0.000% *  0.2407% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 5.16, residual support = 100.4:
    * O T HB3   ASN   28 - HB2   ASN   28   1.75 +/- 0.00  99.962% * 99.1022% (1.00   5.16 100.40) = 100.000%  kept
          HG2   GLN   30 - HB2   ASN   28   7.11 +/- 0.59   0.026% *  0.3544% (0.92   0.02   6.56) =   0.000%
        T HB3   ASN   28 - HB2   ASN   35   8.38 +/- 0.53   0.009% *  0.1194% (0.31   0.02   0.02) =   0.000%
          HG2   GLN   30 - HB2   ASN   35   9.96 +/- 0.41   0.003% *  0.1102% (0.29   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   35  20.11 +/- 1.29   0.000% *  0.0535% (0.14   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   28  25.09 +/- 1.16   0.000% *  0.1721% (0.45   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   35  19.68 +/- 1.33   0.000% *  0.0209% (0.05   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   28  25.12 +/- 1.23   0.000% *  0.0672% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (4.13, 2.73, 38.30 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.2, residual support = 100.4:
    * O T HA    ASN   28 - HB3   ASN   28   2.73 +/- 0.05  99.221% * 97.6526% (1.00   4.20 100.40) =  99.999%  kept
          HA    THR   26 - HB3   ASN   28   6.22 +/- 0.24   0.752% *  0.1435% (0.31   0.02   0.11) =   0.001%
          HA    ALA   34 - HB3   ASN   28  11.70 +/- 0.17   0.016% *  0.4399% (0.95   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   ASN   28  13.69 +/- 1.62   0.008% *  0.3723% (0.80   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   ASN   28  15.77 +/- 0.32   0.003% *  0.0814% (0.18   0.02   0.02) =   0.000%
          HA    LEU  115 - HB3   ASN   28  26.49 +/- 0.61   0.000% *  0.4640% (1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   ASN   28  26.73 +/- 0.84   0.000% *  0.3008% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   ASN   28  30.17 +/- 0.75   0.000% *  0.3008% (0.65   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   ASN   28  32.17 +/- 0.98   0.000% *  0.2446% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 5.16, residual support = 100.4:
    * O T HB2   ASN   28 - HB3   ASN   28   1.75 +/- 0.00  99.977% * 98.5213% (1.00   5.16 100.40) = 100.000%  kept
          QE    LYS+  33 - HB3   ASN   28   8.73 +/- 1.83   0.013% *  0.3741% (0.98   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HB3   ASN   28   8.38 +/- 0.53   0.009% *  0.1711% (0.45   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HB3   ASN   28  14.48 +/- 0.92   0.000% *  0.3056% (0.80   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   28  15.73 +/- 0.52   0.000% *  0.0589% (0.15   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   28  19.46 +/- 0.49   0.000% *  0.2008% (0.53   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASN   28  23.75 +/- 1.49   0.000% *  0.3683% (0.97   0.02   0.02) =   0.000%
    Distance limit 2.47 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 = 4.66, residual support = 88.3:
    * O T HB2   GLU-  29 - HA    GLU-  29   2.99 +/- 0.13  99.418% * 96.7443% (1.00   4.66  88.32) =  99.999%  kept
        T HB2   GLU-  29 - HA    LYS+  33   8.48 +/- 0.44   0.211% *  0.1139% (0.27   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HA    GLN   32   8.49 +/- 0.16   0.193% *  0.0930% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    LYS+  33  11.40 +/- 1.75   0.052% *  0.0225% (0.05   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLU-  29  15.25 +/- 1.58   0.008% *  0.1282% (0.31   0.02   0.02) =   0.000%
        T HB3   PHE   72 - HA    GLU-  29  15.32 +/- 0.35   0.006% *  0.1559% (0.37   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LYS+  33  12.53 +/- 0.70   0.020% *  0.0428% (0.10   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLU-  29  14.45 +/- 1.58   0.010% *  0.0822% (0.20   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   32  12.41 +/- 0.70   0.022% *  0.0349% (0.08   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    LYS+  33  14.11 +/- 1.88   0.014% *  0.0352% (0.08   0.02   0.02) =   0.000%
        T HB3   PHE   72 - HA    LYS+  33  13.75 +/- 0.50   0.011% *  0.0428% (0.10   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU-  29  17.86 +/- 0.48   0.002% *  0.1862% (0.45   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  29  17.79 +/- 0.67   0.002% *  0.1559% (0.37   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  29  17.85 +/- 0.39   0.002% *  0.1155% (0.28   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   32  15.30 +/- 0.33   0.006% *  0.0349% (0.08   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   32  14.87 +/- 1.81   0.009% *  0.0184% (0.04   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  29  24.75 +/- 2.36   0.000% *  0.4071% (0.98   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  29  22.11 +/- 0.86   0.001% *  0.1862% (0.45   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU-  29  23.74 +/- 0.58   0.000% *  0.2853% (0.69   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   32  17.48 +/- 1.76   0.003% *  0.0287% (0.07   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LYS+  33  18.13 +/- 0.34   0.002% *  0.0317% (0.08   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   32  20.54 +/- 0.67   0.001% *  0.0639% (0.15   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  33  21.39 +/- 0.42   0.001% *  0.0782% (0.19   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  29  27.46 +/- 0.93   0.000% *  0.3326% (0.80   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   32  18.08 +/- 0.36   0.002% *  0.0259% (0.06   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   32  20.68 +/- 0.32   0.001% *  0.0417% (0.10   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  33  21.50 +/- 0.44   0.001% *  0.0511% (0.12   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   32  25.09 +/- 2.24   0.000% *  0.0912% (0.22   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LYS+  33  25.22 +/- 0.90   0.000% *  0.0912% (0.22   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  33  27.11 +/- 1.94   0.000% *  0.1117% (0.27   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   32  25.76 +/- 0.86   0.000% *  0.0745% (0.18   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLN   32  23.57 +/- 0.93   0.000% *  0.0417% (0.10   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LYS+  33  25.62 +/- 0.92   0.000% *  0.0511% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.25 A, kept.
 
    Peak 194 (2.16, 4.00, 59.66 ppm):
    18 chemical-shift based assignments, quality = 0.9, support = 4.95, residual support = 88.3:
    * O T HG3   GLU-  29 - HA    GLU-  29   2.76 +/- 0.09  35.499% * 54.7407% (1.00   4.93  88.32) =  51.077%  kept
      O   HB3   GLU-  29 - HA    GLU-  29   2.68 +/- 0.09  42.090% * 44.2056% (0.80   4.97  88.32) =  48.905%  kept
          QB    GLU-  36 - HA    LYS+  33   3.13 +/- 0.36  19.172% *  0.0296% (0.13   0.02   0.02) =   0.015%
          QB    GLU-  36 - HA    GLN   32   4.24 +/- 0.16   2.875% *  0.0242% (0.11   0.02   0.02) =   0.002%
          QB    GLU-  36 - HA    GLU-  29   7.73 +/- 0.34   0.076% *  0.1080% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  33   7.35 +/- 0.55   0.109% *  0.0487% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   32   8.01 +/- 0.18   0.060% *  0.0398% (0.18   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   32   8.58 +/- 0.28   0.042% *  0.0497% (0.22   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - HA    LYS+  33   9.30 +/- 0.57   0.029% *  0.0609% (0.27   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    LYS+  33   9.11 +/- 0.51   0.029% *  0.0442% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   32  10.20 +/- 0.48   0.015% *  0.0361% (0.16   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  29  15.18 +/- 0.82   0.001% *  0.1612% (0.72   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  29  15.29 +/- 0.46   0.001% *  0.0912% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  29  25.49 +/- 0.46   0.000% *  0.2100% (0.94   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLN   32  18.63 +/- 0.42   0.000% *  0.0204% (0.09   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    LYS+  33  19.76 +/- 0.30   0.000% *  0.0250% (0.11   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLN   32  27.21 +/- 0.65   0.000% *  0.0470% (0.21   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  33  29.23 +/- 0.54   0.000% *  0.0576% (0.26   0.02   0.02) =   0.000%
    Distance limit 2.63 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 = 4.36, residual support = 88.3:
    * O T HG2   GLU-  29 - HA    GLU-  29   2.41 +/- 0.13  99.811% * 97.5410% (1.00   4.36  88.32) = 100.000%  kept
        T HG2   GLU-  29 - HA    LYS+  33   8.27 +/- 0.61   0.097% *  0.1227% (0.27   0.02   0.02) =   0.000%
        T HG2   GLU-  29 - HA    GLN   32   8.10 +/- 0.34   0.084% *  0.1002% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  29  17.59 +/- 0.84   0.001% *  0.4316% (0.96   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  19.11 +/- 0.40   0.000% *  0.2893% (0.65   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLU-  29  16.77 +/- 0.89   0.001% *  0.0996% (0.22   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLN   32  14.14 +/- 0.85   0.003% *  0.0223% (0.05   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLN   32  18.68 +/- 0.75   0.000% *  0.0967% (0.22   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    LYS+  33  16.02 +/- 0.72   0.001% *  0.0273% (0.06   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  19.59 +/- 0.51   0.000% *  0.0648% (0.14   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    LYS+  33  22.21 +/- 0.74   0.000% *  0.1184% (0.26   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  29  26.03 +/- 0.48   0.000% *  0.2712% (0.61   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  21.22 +/- 0.45   0.000% *  0.0793% (0.18   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  26.80 +/- 0.64   0.000% *  0.2893% (0.65   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.65 +/- 0.93   0.000% *  0.1115% (0.25   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    LYS+  33  24.02 +/- 0.46   0.000% *  0.0744% (0.17   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  26.00 +/- 0.50   0.000% *  0.0793% (0.18   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  21.97 +/- 0.84   0.000% *  0.0250% (0.06   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLN   32  25.49 +/- 0.55   0.000% *  0.0608% (0.14   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  22.83 +/- 0.78   0.000% *  0.0306% (0.07   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  26.31 +/- 0.57   0.000% *  0.0648% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 196 (4.00, 2.25, 30.32 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.66, residual support = 88.3:
    * O T HA    GLU-  29 - HB2   GLU-  29   2.99 +/- 0.13  99.561% * 97.3813% (1.00   4.66  88.32) =  99.999%  kept
        T HA    LYS+  33 - HB2   GLU-  29   8.48 +/- 0.44   0.212% *  0.3963% (0.95   0.02   0.02) =   0.001%
        T HA    GLN   32 - HB2   GLU-  29   8.49 +/- 0.16   0.194% *  0.1878% (0.45   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLU-  29  13.20 +/- 0.51   0.014% *  0.4153% (0.99   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLU-  29  13.47 +/- 0.49   0.013% *  0.4190% (1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   GLU-  29  15.80 +/- 0.44   0.005% *  0.2878% (0.69   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLU-  29  21.01 +/- 0.81   0.001% *  0.3042% (0.73   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   GLU-  29  21.98 +/- 0.43   0.001% *  0.2039% (0.49   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   GLU-  29  29.20 +/- 0.69   0.000% *  0.2878% (0.69   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   GLU-  29  27.79 +/- 1.31   0.000% *  0.1165% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.827, support = 4.65, residual support = 88.3:
      O   HB3   GLU-  29 - HB2   GLU-  29   1.75 +/- 0.00  89.390% * 44.0879% (0.80   4.65  88.32) =  87.045%  kept
    * O T HG3   GLU-  29 - HB2   GLU-  29   2.50 +/- 0.04  10.606% * 55.3032% (1.00   4.67  88.32) =  12.955%  kept
          QB    GLU-  36 - HB2   GLU-  29   9.84 +/- 0.37   0.003% *  0.1153% (0.49   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - HB2   GLU-  29  13.18 +/- 0.61   0.001% *  0.0974% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   GLU-  29  16.94 +/- 1.00   0.000% *  0.1720% (0.73   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   GLU-  29  23.99 +/- 0.60   0.000% *  0.2241% (0.95   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 = 4.18, residual support = 88.3:
    * O T HG2   GLU-  29 - HB2   GLU-  29   3.05 +/- 0.01  99.990% * 98.4279% (1.00   4.18  88.32) = 100.000%  kept
          HB3   ASP-  86 - HB2   GLU-  29  17.32 +/- 0.80   0.003% *  0.4546% (0.97   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   GLU-  29  17.98 +/- 0.50   0.002% *  0.3047% (0.65   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   GLU-  29  17.09 +/- 0.86   0.003% *  0.1049% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   GLU-  29  24.81 +/- 0.48   0.000% *  0.2857% (0.61   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   GLU-  29  25.69 +/- 0.75   0.000% *  0.3047% (0.65   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  29  23.16 +/- 0.96   0.001% *  0.1175% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 4.36, residual support = 88.3:
    * O T HA    GLU-  29 - HG2   GLU-  29   2.41 +/- 0.13  99.814% * 97.2082% (1.00   4.36  88.32) =  99.999%  kept
        T HA    LYS+  33 - HG2   GLU-  29   8.27 +/- 0.61   0.097% *  0.4225% (0.95   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG2   GLU-  29   8.10 +/- 0.34   0.084% *  0.2003% (0.45   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLU-  29  14.41 +/- 0.73   0.002% *  0.4427% (0.99   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   GLU-  29  15.97 +/- 0.82   0.002% *  0.4467% (1.00   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   GLU-  29  17.24 +/- 0.74   0.001% *  0.3068% (0.69   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLU-  29  23.76 +/- 0.72   0.000% *  0.3244% (0.73   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   GLU-  29  23.76 +/- 0.54   0.000% *  0.2174% (0.49   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   GLU-  29  31.59 +/- 0.87   0.000% *  0.3068% (0.69   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   GLU-  29  30.53 +/- 1.20   0.000% *  0.1242% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 0.02, residual support = 88.3:
    * O T HB2   GLU-  29 - HG2   GLU-  29   3.05 +/- 0.01  99.970% * 16.9500% (1.00   0.02  88.32) =  99.991%  kept
          QG    GLU-  14 - HG2   GLU-  29  15.04 +/- 1.72   0.010% *  5.2316% (0.31   0.02   0.02) =   0.003%
          QG    GLU-  15 - HG2   GLU-  29  14.97 +/- 1.65   0.009% *  3.3544% (0.20   0.02   0.02) =   0.002%
          HB3   PHE   72 - HG2   GLU-  29  16.61 +/- 0.76   0.004% *  6.3615% (0.38   0.02   0.02) =   0.002%
          HB3   ASP-  76 - HG2   GLU-  29  18.38 +/- 0.57   0.002% *  7.5992% (0.45   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HG2   GLU-  29  19.87 +/- 0.77   0.001% *  6.3615% (0.38   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HG2   GLU-  29  19.23 +/- 0.63   0.002% *  4.7127% (0.28   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   GLU-  29  26.05 +/- 2.35   0.000% * 16.6143% (0.98   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   GLU-  29  22.85 +/- 0.84   0.001% *  7.5992% (0.45   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG2   GLU-  29  25.82 +/- 0.61   0.000% * 11.6431% (0.69   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   GLU-  29  29.14 +/- 1.05   0.000% * 13.5725% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.50 A violated in 20 structures by 0.56 A, eliminated.
    Peak unassigned.
 
    Peak 206 (2.16, 2.43, 36.74 ppm):
    6 chemical-shift based assignments, quality = 0.983, support = 4.49, residual support = 88.3:
    * O T HG3   GLU-  29 - HG2   GLU-  29   1.75 +/- 0.00  89.515% * 55.9422% (1.00   4.50  88.32) =  91.671%  kept
      O T HB3   GLU-  29 - HG2   GLU-  29   2.51 +/- 0.05  10.479% * 43.4187% (0.80   4.36  88.32) =   8.329%  kept
        T QB    GLU-  36 - HG2   GLU-  29   9.04 +/- 0.47   0.005% *  0.1211% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  29  17.03 +/- 0.90   0.000% *  0.1806% (0.73   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  29  15.65 +/- 0.53   0.000% *  0.1022% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  29  26.30 +/- 0.50   0.000% *  0.2353% (0.95   0.02   0.02) =   0.000%
    Distance limit 2.59 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 = 0.961, support = 4.87, residual support = 160.1:
    * O T HB2   GLN   30 - HA    GLN   30   2.47 +/- 0.11  66.691% * 53.8909% (1.00   4.93 160.10) =  70.613%  kept
      O T HG3   GLN   30 - HA    GLN   30   2.84 +/- 0.40  33.293% * 44.9258% (0.87   4.73 160.10) =  29.387%  kept
          QB    GLU-  15 - HA    GLN   30  11.17 +/- 1.40   0.012% *  0.0383% (0.18   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   30  16.02 +/- 0.68   0.001% *  0.2169% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLN   30  13.71 +/- 0.64   0.002% *  0.0383% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLN   30  16.68 +/- 0.80   0.001% *  0.1065% (0.49   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HA    GLN   30  21.44 +/- 0.91   0.000% *  0.1239% (0.57   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   30  24.64 +/- 0.60   0.000% *  0.2188% (1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLN   30  25.73 +/- 0.61   0.000% *  0.2020% (0.92   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLN   30  26.36 +/- 0.84   0.000% *  0.1898% (0.87   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HA    GLN   30  27.42 +/- 0.72   0.000% *  0.0487% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 0.901, support = 4.74, residual support = 139.1:
    * O T HB3   GLN   30 - HA    GLN   30   3.03 +/- 0.02  32.063% * 91.6303% (1.00   5.23 160.10) =  86.840%  kept
          QB    LYS+  33 - HA    GLN   30   2.61 +/- 0.54  67.929% *  6.5540% (0.25   1.50   0.79) =  13.160%  kept
          HB3   LYS+  38 - HA    GLN   30  13.29 +/- 0.80   0.005% *  0.3315% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   30  17.68 +/- 0.40   0.001% *  0.1315% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   30  18.04 +/- 0.57   0.001% *  0.1441% (0.41   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   30  21.92 +/- 2.10   0.000% *  0.3382% (0.97   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   30  22.99 +/- 0.70   0.000% *  0.2927% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   30  24.11 +/- 0.49   0.000% *  0.2927% (0.84   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLN   30  20.49 +/- 2.94   0.000% *  0.0614% (0.18   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   30  19.33 +/- 0.49   0.000% *  0.0614% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   30  24.97 +/- 0.61   0.000% *  0.1082% (0.31   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   30  24.49 +/- 1.06   0.000% *  0.0541% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 5.82, residual support = 160.1:
    * O T HG2   GLN   30 - HA    GLN   30   2.90 +/- 0.22  99.587% * 99.3335% (1.00   5.82 160.10) =  99.999%  kept
          HB3   ASN   28 - HA    GLN   30   7.36 +/- 0.05   0.411% *  0.3153% (0.92   0.02   6.56) =   0.001%
          QE    LYS+ 121 - HA    GLN   30  22.09 +/- 0.92   0.001% *  0.2347% (0.69   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    GLN   30  20.01 +/- 0.95   0.001% *  0.1165% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 212 (3.84, 2.04, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.93, residual support = 160.1:
    * O T HA    GLN   30 - HB2   GLN   30   2.47 +/- 0.11  99.891% * 98.6648% (1.00   4.93 160.10) = 100.000%  kept
          HB    THR   39 - HB2   GLN   30   9.20 +/- 0.99   0.045% *  0.0999% (0.25   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   GLN   30   8.73 +/- 0.44   0.057% *  0.0618% (0.15   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   GLN   30  14.95 +/- 0.64   0.002% *  0.2268% (0.57   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   GLN   30  13.99 +/- 1.96   0.004% *  0.1114% (0.28   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLN   30  20.50 +/- 0.74   0.000% *  0.3062% (0.76   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   GLN   30  24.19 +/- 0.88   0.000% *  0.3971% (0.99   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   GLN   30  20.41 +/- 1.10   0.000% *  0.0618% (0.15   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   GLN   30  21.01 +/- 0.51   0.000% *  0.0702% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 4.18, residual support = 160.1:
    * O T HB3   GLN   30 - HB2   GLN   30   1.75 +/- 0.00  99.124% * 97.4698% (1.00   4.18 160.10) =  99.999%  kept
          QB    LYS+  33 - HB2   GLN   30   3.91 +/- 0.25   0.875% *  0.1162% (0.25   0.02   0.79) =   0.001%
          HB3   LYS+  38 - HB2   GLN   30  13.53 +/- 0.93   0.001% *  0.4407% (0.95   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HB2   GLN   30  16.39 +/- 0.57   0.000% *  0.1915% (0.41   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   30  19.89 +/- 1.99   0.000% *  0.4496% (0.97   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   30  16.98 +/- 0.49   0.000% *  0.1749% (0.38   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   30  20.58 +/- 0.73   0.000% *  0.3892% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   30  21.74 +/- 0.46   0.000% *  0.3892% (0.84   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   30  17.55 +/- 0.55   0.000% *  0.0816% (0.18   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   GLN   30  20.72 +/- 2.54   0.000% *  0.0816% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   GLN   30  23.21 +/- 0.74   0.000% *  0.1438% (0.31   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB2   GLN   30  22.18 +/- 1.07   0.000% *  0.0719% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.62 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 = 6.06, residual support = 160.1:
    * O T HG2   GLN   30 - HB2   GLN   30   2.89 +/- 0.21  99.825% * 99.3597% (1.00   6.06 160.10) =  99.999%  kept
          HB3   ASN   28 - HB2   GLN   30   8.45 +/- 0.19   0.172% *  0.3029% (0.92   0.02   6.56) =   0.001%
          HB3   HIS  122 - HB2   GLN   30  18.20 +/- 0.88   0.002% *  0.1119% (0.34   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   GLN   30  20.52 +/- 0.84   0.001% *  0.2254% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 216 (3.84, 1.89, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.23, residual support = 160.1:
    * O T HA    GLN   30 - HB3   GLN   30   3.03 +/- 0.02  99.808% * 98.7414% (1.00   5.23 160.10) = 100.000%  kept
          HB    THR   39 - HB3   GLN   30  10.35 +/- 1.05   0.074% *  0.0942% (0.25   0.02   0.02) =   0.000%
          HB3   SER   37 - HB3   GLN   30   9.81 +/- 0.47   0.091% *  0.0583% (0.15   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   GLN   30  13.33 +/- 0.63   0.015% *  0.2138% (0.57   0.02   0.02) =   0.000%
          QB    SER   13 - HB3   GLN   30  15.28 +/- 1.82   0.008% *  0.1050% (0.28   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLN   30  20.13 +/- 0.54   0.001% *  0.2886% (0.76   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB3   GLN   30  23.64 +/- 0.84   0.000% *  0.3743% (0.99   0.02   0.02) =   0.000%
          HA    ILE   89 - HB3   GLN   30  19.12 +/- 0.97   0.002% *  0.0583% (0.15   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   GLN   30  21.16 +/- 0.45   0.001% *  0.0661% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 160.1:
    * O T HB2   GLN   30 - HB3   GLN   30   1.75 +/- 0.00  95.280% * 48.3370% (1.00   4.18 160.10) =  95.089%  kept
      O   HG3   GLN   30 - HB3   GLN   30   2.92 +/- 0.14   4.718% * 50.4135% (0.87   5.03 160.10) =   4.911%  kept
          QB    GLU-  15 - HB3   GLN   30  11.99 +/- 1.16   0.001% *  0.0405% (0.18   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   30  16.40 +/- 0.64   0.000% *  0.2290% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   GLN   30  12.93 +/- 0.43   0.001% *  0.0405% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   GLN   30  16.89 +/- 0.87   0.000% *  0.1125% (0.49   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLN   30  18.62 +/- 0.85   0.000% *  0.1308% (0.57   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   30  23.00 +/- 0.72   0.000% *  0.2311% (1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLN   30  23.19 +/- 0.69   0.000% *  0.2133% (0.92   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLN   30  23.96 +/- 0.74   0.000% *  0.2004% (0.87   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   30  24.93 +/- 0.75   0.000% *  0.0514% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.44 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 = 6.02, residual support = 160.1:
    * O T HG2   GLN   30 - HB3   GLN   30   2.71 +/- 0.24  99.693% * 99.3558% (1.00   6.02 160.10) =  99.999%  kept
          HB3   ASN   28 - HB3   GLN   30   7.18 +/- 0.24   0.306% *  0.3048% (0.92   0.02   6.56) =   0.001%
          QE    LYS+ 121 - HB3   GLN   30  20.76 +/- 1.01   0.001% *  0.2268% (0.69   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB3   GLN   30  18.95 +/- 1.22   0.001% *  0.1126% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 5.82, residual support = 160.1:
    * O T HA    GLN   30 - HG2   GLN   30   2.90 +/- 0.22  99.905% * 98.8669% (1.00   5.82 160.10) = 100.000%  kept
          HB3   SER   37 - HG2   GLN   30  10.82 +/- 0.55   0.046% *  0.0525% (0.15   0.02   0.02) =   0.000%
          HB    THR   39 - HG2   GLN   30  11.73 +/- 1.00   0.026% *  0.0848% (0.25   0.02   0.02) =   0.000%
          HB3   SER   82 - HG2   GLN   30  13.82 +/- 0.59   0.010% *  0.1925% (0.57   0.02   0.02) =   0.000%
          QB    SER   13 - HG2   GLN   30  14.16 +/- 1.86   0.010% *  0.0945% (0.28   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLN   30  21.00 +/- 0.74   0.001% *  0.2598% (0.76   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG2   GLN   30  24.69 +/- 0.82   0.000% *  0.3370% (0.99   0.02   0.02) =   0.000%
          HA    ILE   89 - HG2   GLN   30  20.51 +/- 0.91   0.001% *  0.0525% (0.15   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLN   30  22.19 +/- 0.54   0.001% *  0.0595% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 0.875, support = 6.32, residual support = 160.1:
      O T HG3   GLN   30 - HG2   GLN   30   1.75 +/- 0.00  94.565% * 47.1481% (0.87   6.34 160.10) =  94.049%  kept
    * O T HB2   GLN   30 - HG2   GLN   30   2.89 +/- 0.21   5.433% * 51.9246% (1.00   6.06 160.10) =   5.951%  kept
          QB    GLU-  15 - HG2   GLN   30  11.51 +/- 1.02   0.001% *  0.0300% (0.18   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLN   30  12.64 +/- 0.52   0.001% *  0.0300% (0.18   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   GLN   30  18.40 +/- 0.64   0.000% *  0.1700% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLN   30  17.32 +/- 0.90   0.000% *  0.0835% (0.49   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HG2   GLN   30  20.07 +/- 0.98   0.000% *  0.0971% (0.57   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLN   30  24.77 +/- 0.55   0.000% *  0.1715% (1.00   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLN   30  24.73 +/- 0.97   0.000% *  0.1488% (0.87   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLN   30  25.42 +/- 0.62   0.000% *  0.1583% (0.92   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   GLN   30  26.97 +/- 0.68   0.000% *  0.0382% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.65 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 = 6.02, residual support = 160.1:
    * O T HB3   GLN   30 - HG2   GLN   30   2.71 +/- 0.24  97.309% * 98.2275% (1.00   6.02 160.10) =  99.998%  kept
          QB    LYS+  33 - HG2   GLN   30   5.16 +/- 0.46   2.681% *  0.0814% (0.25   0.02   0.79) =   0.002%
          HB3   LYS+  38 - HG2   GLN   30  15.83 +/- 0.90   0.003% *  0.3088% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   GLN   30  15.76 +/- 0.55   0.003% *  0.1225% (0.38   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   GLN   30  20.64 +/- 2.23   0.001% *  0.3150% (0.97   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   GLN   30  18.24 +/- 0.55   0.001% *  0.1342% (0.41   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   GLN   30  21.86 +/- 0.69   0.000% *  0.2726% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   GLN   30  23.26 +/- 0.48   0.000% *  0.2726% (0.84   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   GLN   30  20.74 +/- 2.57   0.001% *  0.0572% (0.18   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   GLN   30  20.09 +/- 0.50   0.001% *  0.0572% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   GLN   30  23.16 +/- 0.68   0.000% *  0.1007% (0.31   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   GLN   30  22.67 +/- 1.18   0.000% *  0.0504% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 227.4:
    * O T HB2   LEU   31 - HA    LEU   31   3.01 +/- 0.01  99.496% * 97.5451% (1.00   6.00 227.41) =  99.999%  kept
          HG    LEU   98 - HA    LEU   31   8.12 +/- 1.05   0.359% *  0.1711% (0.53   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HA    LEU   31  10.20 +/- 0.45   0.068% *  0.2361% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   31  11.51 +/- 0.72   0.034% *  0.2716% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   31  12.96 +/- 0.34   0.016% *  0.3138% (0.97   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LEU   31  13.74 +/- 0.39   0.011% *  0.2604% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LEU   31  16.02 +/- 0.64   0.004% *  0.2916% (0.90   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   31  14.87 +/- 0.39   0.007% *  0.1337% (0.41   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   31  21.27 +/- 1.21   0.001% *  0.2103% (0.65   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   31  19.38 +/- 0.74   0.001% *  0.1220% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   31  19.85 +/- 0.84   0.001% *  0.1220% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   31  24.63 +/- 0.57   0.000% *  0.3223% (0.99   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.05 A, kept.
 
    Peak 226 (1.12, 3.61, 58.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 227.4:
    * O T HB3   LEU   31 - HA    LEU   31   2.43 +/- 0.10  99.954% * 98.9290% (1.00   6.00 227.41) = 100.000%  kept
          QG1   VAL   24 - HA    LEU   31   9.37 +/- 0.69   0.035% *  0.1478% (0.45   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LEU   31  11.69 +/- 0.16   0.008% *  0.2133% (0.65   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    LEU   31  15.06 +/- 0.55   0.002% *  0.0578% (0.18   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LEU   31  20.49 +/- 0.74   0.000% *  0.3290% (1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LEU   31  16.43 +/- 0.48   0.001% *  0.0446% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    LEU   31  21.13 +/- 0.57   0.000% *  0.0917% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    LEU   31  26.68 +/- 1.14   0.000% *  0.1867% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 227 (0.79, 3.61, 58.19 ppm):
    5 chemical-shift based assignments, quality = 0.8, support = 5.96, residual support = 227.3:
    * O T HG    LEU   31 - HA    LEU   31   3.38 +/- 0.43  70.097% * 98.8671% (0.80   5.96 227.41) =  99.935%  kept
          QG1   VAL   41 - HA    LEU   31   4.15 +/- 0.37  24.816% *  0.1032% (0.25   0.02   0.02) =   0.037%
          QD2   LEU   73 - HA    LEU   31   5.30 +/- 0.26   5.082% *  0.3822% (0.92   0.02   3.24) =   0.028%
          QD1   ILE   56 - HA    LEU   31  18.60 +/- 0.43   0.003% *  0.4131% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    LEU   31  19.73 +/- 0.59   0.002% *  0.2344% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.12 A, kept.
 
    Peak 228 (0.00, 3.61, 58.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 0.02, residual support = 227.4:
    *   T QD1   LEU   31 - HA    LEU   31   3.63 +/- 0.17 100.000% *100.0000% (1.00   0.02 227.41) = 100.000%  kept
    Distance limit 3.41 A violated in 9 structures by 0.23 A, eliminated.
    Peak unassigned.
 
    Peak 229 (0.07, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.72, residual support = 227.4:
    *   T QD2   LEU   31 - HA    LEU   31   2.07 +/- 0.29  99.907% * 99.5049% (1.00   5.72 227.41) = 100.000%  kept
        T QG2   VAL   43 - HA    LEU   31   7.18 +/- 0.29   0.085% *  0.0867% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   83 - HA    LEU   31  10.89 +/- 0.60   0.006% *  0.2525% (0.73   0.02   0.02) =   0.000%
          QD1   ILE   89 - HA    LEU   31  13.65 +/- 0.95   0.002% *  0.1559% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 230 (3.61, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 227.4:
    * O T HA    LEU   31 - HB2   LEU   31   3.01 +/- 0.01 100.000% *100.0000% (1.00   6.00 227.41) = 100.000%  kept
    Distance limit 3.61 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 = 227.4:
    * O T HB3   LEU   31 - HB2   LEU   31   1.75 +/- 0.00  99.983% * 98.9290% (1.00   6.00 227.41) = 100.000%  kept
          QG1   VAL   24 - HB2   LEU   31   7.75 +/- 0.71   0.015% *  0.1478% (0.45   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LEU   31  12.50 +/- 0.34   0.001% *  0.2133% (0.65   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   31  16.76 +/- 0.65   0.000% *  0.0578% (0.18   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LEU   31  23.02 +/- 0.82   0.000% *  0.3290% (1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - HB2   LEU   31  17.92 +/- 0.55   0.000% *  0.0446% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB2   LEU   31  23.50 +/- 0.68   0.000% *  0.0917% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   LEU   31  28.78 +/- 1.15   0.000% *  0.1867% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 233 (0.79, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.0, residual support = 227.4:
    * O T HG    LEU   31 - HB2   LEU   31   2.41 +/- 0.26  99.294% * 98.8746% (0.80   6.00 227.41) =  99.999%  kept
          QD2   LEU   73 - HB2   LEU   31   7.20 +/- 0.41   0.254% *  0.3797% (0.92   0.02   3.24) =   0.001%
          QG1   VAL   41 - HB2   LEU   31   6.33 +/- 0.49   0.451% *  0.1026% (0.25   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB2   LEU   31  20.15 +/- 0.47   0.000% *  0.4104% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB2   LEU   31  22.04 +/- 0.68   0.000% *  0.2329% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 227.4:
    * O T QD1   LEU   31 - HB2   LEU   31   2.62 +/- 0.15 100.000% *100.0000% (1.00   4.87 227.41) = 100.000%  kept
    Distance limit 3.34 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 = 227.4:
    * O T QD2   LEU   31 - HB2   LEU   31   3.02 +/- 0.28  99.615% * 99.5083% (1.00   5.76 227.41) = 100.000%  kept
        T QG2   VAL   43 - HB2   LEU   31   8.17 +/- 0.36   0.280% *  0.0861% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   83 - HB2   LEU   31  10.13 +/- 0.68   0.087% *  0.2508% (0.73   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB2   LEU   31  13.27 +/- 0.95   0.018% *  0.1548% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 227.4:
    * O T HA    LEU   31 - HB3   LEU   31   2.43 +/- 0.10 100.000% *100.0000% (1.00   6.00 227.41) = 100.000%  kept
    Distance limit 3.31 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 = 227.4:
    * O T HB2   LEU   31 - HB3   LEU   31   1.75 +/- 0.00  99.985% * 97.5451% (1.00   6.00 227.41) = 100.000%  kept
          HG    LEU   98 - HB3   LEU   31   8.48 +/- 1.02   0.011% *  0.1711% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   31  10.81 +/- 0.49   0.002% *  0.2361% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   31  12.48 +/- 0.85   0.001% *  0.2716% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   31  12.63 +/- 0.33   0.001% *  0.3138% (0.97   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LEU   31  14.81 +/- 0.55   0.000% *  0.2604% (0.80   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   31  14.27 +/- 0.43   0.000% *  0.1337% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LEU   31  17.69 +/- 0.75   0.000% *  0.2916% (0.90   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   31  18.41 +/- 0.82   0.000% *  0.1220% (0.38   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   31  22.28 +/- 1.37   0.000% *  0.2103% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   31  20.35 +/- 0.97   0.000% *  0.1220% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   31  24.85 +/- 0.81   0.000% *  0.3223% (0.99   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 238 (1.12, 1.12, 40.94 ppm):
    1 diagonal assignment:
    *     HB3   LEU   31 - HB3   LEU   31  (1.00)  kept
 
    Peak 239 (0.79, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.0, residual support = 227.4:
    * O T HG    LEU   31 - HB3   LEU   31   2.91 +/- 0.16  94.753% * 98.8742% (0.80   6.00 227.41) =  99.992%  kept
          QG1   VAL   41 - HB3   LEU   31   5.11 +/- 0.53   4.644% *  0.1026% (0.25   0.02   0.02) =   0.005%
        T QD2   LEU   73 - HB3   LEU   31   6.89 +/- 0.40   0.601% *  0.3798% (0.92   0.02   3.24) =   0.002%
          QD1   ILE   56 - HB3   LEU   31  19.33 +/- 0.61   0.001% *  0.4105% (1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB3   LEU   31  20.49 +/- 0.73   0.001% *  0.2329% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 227.4:
    * O T QD1   LEU   31 - HB3   LEU   31   2.08 +/- 0.11 100.000% *100.0000% (1.00   4.87 227.41) = 100.000%  kept
    Distance limit 3.23 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 = 227.4:
    * O T QD2   LEU   31 - HB3   LEU   31   2.79 +/- 0.20  99.665% * 99.5081% (1.00   5.76 227.41) = 100.000%  kept
        T QG2   VAL   43 - HB3   LEU   31   7.59 +/- 0.41   0.271% *  0.0861% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   83 - HB3   LEU   31  10.03 +/- 0.72   0.052% *  0.2509% (0.73   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB3   LEU   31  12.88 +/- 1.03   0.012% *  0.1549% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 242 (3.61, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.96, residual support = 227.4:
    * O T HA    LEU   31 - HG    LEU   31   3.38 +/- 0.43 100.000% *100.0000% (0.80   5.96 227.41) = 100.000%  kept
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 243 (1.33, 0.79, 27.16 ppm):
    12 chemical-shift based assignments, quality = 0.801, support = 6.0, residual support = 227.4:
    * O T HB2   LEU   31 - HG    LEU   31   2.41 +/- 0.26  99.817% * 97.5469% (0.80   6.00 227.41) = 100.000%  kept
          HG    LEU   98 - HG    LEU   31   9.73 +/- 1.38   0.140% *  0.1709% (0.42   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   31  10.32 +/- 0.73   0.017% *  0.3136% (0.77   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   31  13.07 +/- 0.86   0.008% *  0.2359% (0.58   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   31  14.42 +/- 1.27   0.005% *  0.2714% (0.67   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG    LEU   31  14.00 +/- 0.75   0.005% *  0.2602% (0.64   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   31  12.64 +/- 0.59   0.005% *  0.1336% (0.33   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG    LEU   31  17.42 +/- 1.06   0.001% *  0.2914% (0.72   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   31  17.28 +/- 0.76   0.001% *  0.1219% (0.30   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   31  19.36 +/- 0.77   0.000% *  0.1219% (0.30   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   31  23.17 +/- 1.55   0.000% *  0.2102% (0.52   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   31  24.63 +/- 0.80   0.000% *  0.3220% (0.79   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (1.12, 0.79, 27.16 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 6.0, residual support = 227.4:
    * O T HB3   LEU   31 - HG    LEU   31   2.91 +/- 0.16  98.923% * 98.9295% (0.80   6.00 227.41) =  99.998%  kept
          QG1   VAL   24 - HG    LEU   31   6.66 +/- 0.87   1.034% *  0.1478% (0.36   0.02   0.02) =   0.002%
          QB    ALA   20 - HG    LEU   31  11.06 +/- 0.23   0.035% *  0.2132% (0.52   0.02   0.02) =   0.000%
          QG1   VAL  107 - HG    LEU   31  15.76 +/- 0.95   0.004% *  0.0577% (0.14   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG    LEU   31  21.87 +/- 1.18   0.001% *  0.3289% (0.80   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG    LEU   31  16.75 +/- 0.68   0.003% *  0.0446% (0.11   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HG    LEU   31  22.97 +/- 1.27   0.000% *  0.0916% (0.22   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG    LEU   31  27.24 +/- 1.23   0.000% *  0.1866% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 245 (0.79, 0.79, 27.16 ppm):
    1 diagonal assignment:
    *     HG    LEU   31 - HG    LEU   31  (0.64)  kept
 
    Peak 246 (0.00, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.98, residual support = 227.4:
    * O T QD1   LEU   31 - HG    LEU   31   2.09 +/- 0.01 100.000% *100.0000% (0.80   4.98 227.41) = 100.000%  kept
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 247 (0.07, 0.79, 27.16 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.87, residual support = 227.4:
    * O T QD2   LEU   31 - HG    LEU   31   2.12 +/- 0.01  99.852% * 99.5175% (0.80   5.87 227.41) = 100.000%  kept
        T QG2   VAL   43 - HG    LEU   31   6.67 +/- 0.49   0.121% *  0.0845% (0.20   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG    LEU   31   8.79 +/- 0.73   0.023% *  0.2461% (0.58   0.02   0.02) =   0.000%
          QD1   ILE   89 - HG    LEU   31  11.94 +/- 0.92   0.004% *  0.1519% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 248 (3.61, 0.00, 23.44 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.84, residual support = 227.4:
    *   T HA    LEU   31 - QD1   LEU   31   3.63 +/- 0.17 100.000% *100.0000% (1.00   4.84 227.41) = 100.000%  kept
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 249 (1.33, 0.00, 23.44 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 227.4:
    * O T HB2   LEU   31 - QD1   LEU   31   2.62 +/- 0.15  99.550% * 96.9947% (1.00   4.87 227.41) =  99.999%  kept
          HG    LEU   98 - QD1   LEU   31   7.23 +/- 0.57   0.259% *  0.2094% (0.53   0.02   0.02) =   0.001%
          HB3   LEU   80 - QD1   LEU   31   8.48 +/- 0.30   0.094% *  0.3842% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   31  11.02 +/- 0.49   0.020% *  0.2890% (0.73   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   31  10.00 +/- 0.38   0.035% *  0.1636% (0.41   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   31  11.42 +/- 0.25   0.015% *  0.3187% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   31  11.76 +/- 0.57   0.013% *  0.3325% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD1   LEU   31  14.62 +/- 0.40   0.003% *  0.3570% (0.90   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   31  13.45 +/- 0.66   0.006% *  0.1494% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   31  15.51 +/- 0.65   0.002% *  0.1494% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   31  19.49 +/- 0.47   0.001% *  0.3945% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   31  18.98 +/- 0.98   0.001% *  0.2575% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 227.4:
    * O T HB3   LEU   31 - QD1   LEU   31   2.08 +/- 0.11  99.419% * 98.6842% (1.00   4.87 227.41) =  99.999%  kept
          QG1   VAL   24 - QD1   LEU   31   5.30 +/- 0.76   0.569% *  0.1816% (0.45   0.02   0.02) =   0.001%
          QB    ALA   20 - QD1   LEU   31  10.07 +/- 0.13   0.008% *  0.2621% (0.65   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD1   LEU   31  12.49 +/- 0.44   0.002% *  0.0710% (0.18   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD1   LEU   31  17.98 +/- 0.57   0.000% *  0.4042% (1.00   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   LEU   31  13.29 +/- 0.36   0.002% *  0.0548% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   LEU   31  18.42 +/- 0.54   0.000% *  0.1126% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   LEU   31  22.32 +/- 0.80   0.000% *  0.2294% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (0.79, 0.00, 23.44 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.98, residual support = 227.4:
    * O T HG    LEU   31 - QD1   LEU   31   2.09 +/- 0.01  99.340% * 98.6456% (0.80   4.98 227.41) =  99.998%  kept
          QD2   LEU   73 - QD1   LEU   31   5.88 +/- 0.32   0.215% *  0.4569% (0.92   0.02   3.24) =   0.001%
          QG1   VAL   41 - QD1   LEU   31   5.23 +/- 0.32   0.444% *  0.1234% (0.25   0.02   0.02) =   0.001%
          QD1   ILE   56 - QD1   LEU   31  15.25 +/- 0.29   0.001% *  0.4939% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD1   LEU   31  17.14 +/- 0.53   0.000% *  0.2802% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 227.4:
    * O T QD2   LEU   31 - QD1   LEU   31   2.04 +/- 0.04  99.420% * 99.3876% (1.00   4.62 227.41) =  99.999%  kept
        T QG2   VAL   43 - QD1   LEU   31   5.08 +/- 0.21   0.439% *  0.1072% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   83 - QD1   LEU   31   6.42 +/- 0.62   0.122% *  0.3123% (0.73   0.02   0.02) =   0.000%
          QD1   ILE   89 - QD1   LEU   31   8.89 +/- 0.83   0.018% *  0.1928% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 254 (3.61, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.72, residual support = 227.4:
    *   T HA    LEU   31 - QD2   LEU   31   2.07 +/- 0.29  99.915% * 99.9764% (1.00   5.72 227.41) = 100.000%  kept
        T HA    LEU   31 - QG2   VAL   43   7.18 +/- 0.29   0.085% *  0.0236% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 255 (1.33, 0.07, 21.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 227.4:
    * O T HB2   LEU   31 - QD2   LEU   31   3.02 +/- 0.28  91.987% * 97.2563% (1.00   5.76 227.41) =  99.995%  kept
          HG    LEU   98 - QD2   LEU   31   6.94 +/- 0.72   0.885% *  0.1776% (0.53   0.02   0.02) =   0.002%
          HB3   ASP-  44 - QG2   VAL   43   5.14 +/- 0.17   4.333% *  0.0183% (0.05   0.02  15.36) =   0.001%
          HB3   LEU   80 - QD2   LEU   31   8.38 +/- 0.23   0.218% *  0.3257% (0.97   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QD2   LEU   31  10.13 +/- 0.29   0.073% *  0.2703% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   31  10.64 +/- 0.39   0.056% *  0.2451% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   31  11.07 +/- 0.56   0.046% *  0.2819% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   80 - QG2   VAL   43   7.24 +/- 0.30   0.553% *  0.0220% (0.07   0.02   0.02) =   0.000%
          HG    LEU   98 - QG2   VAL   43   6.93 +/- 1.10   0.942% *  0.0120% (0.04   0.02   0.02) =   0.000%
        T QB    ALA   84 - QD2   LEU   31  10.40 +/- 0.22   0.062% *  0.1388% (0.41   0.02   0.02) =   0.000%
        T HB2   LEU   31 - QG2   VAL   43   8.17 +/- 0.36   0.256% *  0.0228% (0.07   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD2   LEU   31  12.87 +/- 0.42   0.018% *  0.3027% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   VAL   43   9.54 +/- 0.33   0.106% *  0.0205% (0.06   0.02   0.02) =   0.000%
          QB    ALA   84 - QG2   VAL   43   8.37 +/- 0.18   0.228% *  0.0094% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   93 - QG2   VAL   43   9.29 +/- 0.74   0.147% *  0.0086% (0.03   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   31  14.35 +/- 0.52   0.009% *  0.1267% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   31  14.83 +/- 0.74   0.008% *  0.1267% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   31  19.26 +/- 0.48   0.002% *  0.3346% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   31  18.12 +/- 0.86   0.002% *  0.2184% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   VAL   43  12.53 +/- 0.44   0.020% *  0.0191% (0.06   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   43  12.01 +/- 0.45   0.027% *  0.0086% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QG2   VAL   43  14.23 +/- 0.39   0.009% *  0.0226% (0.07   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   VAL   43  14.39 +/- 0.72   0.009% *  0.0166% (0.05   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   VAL   43  16.34 +/- 0.62   0.004% *  0.0148% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 227.4:
    * O T HB3   LEU   31 - QD2   LEU   31   2.79 +/- 0.20  97.154% * 98.7875% (1.00   5.76 227.41) =  99.997%  kept
          QG1   VAL   24 - QD2   LEU   31   6.18 +/- 0.73   1.357% *  0.1538% (0.45   0.02   0.02) =   0.002%
          QB    ALA   20 - QD2   LEU   31   8.43 +/- 0.14   0.143% *  0.2219% (0.65   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG2   VAL   43   7.59 +/- 0.41   0.261% *  0.0232% (0.07   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   43   7.30 +/- 0.24   0.333% *  0.0150% (0.04   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   VAL   43   7.47 +/- 0.87   0.429% *  0.0104% (0.03   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD2   LEU   31  11.91 +/- 0.44   0.017% *  0.0601% (0.18   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   31  16.61 +/- 0.55   0.002% *  0.3422% (1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   VAL   43   8.32 +/- 0.39   0.156% *  0.0041% (0.01   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   31  12.78 +/- 0.43   0.011% *  0.0464% (0.14   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   43   8.68 +/- 0.36   0.116% *  0.0031% (0.01   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   43  12.78 +/- 0.44   0.011% *  0.0232% (0.07   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD2   LEU   31  17.76 +/- 0.45   0.002% *  0.0954% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD2   LEU   31  21.16 +/- 0.89   0.001% *  0.1942% (0.57   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   VAL   43  16.18 +/- 0.75   0.003% *  0.0131% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   43  15.17 +/- 0.36   0.004% *  0.0065% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 257 (0.79, 0.07, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.87, residual support = 227.4:
    * O T HG    LEU   31 - QD2   LEU   31   2.12 +/- 0.01  86.980% * 98.7503% (0.80   5.87 227.41) =  99.985%  kept
          QD2   LEU   73 - QD2   LEU   31   3.90 +/- 0.22   2.339% *  0.3877% (0.92   0.02   3.24) =   0.011%
          QD2   LEU   73 - QG2   VAL   43   4.05 +/- 1.07   9.157% *  0.0262% (0.06   0.02  10.58) =   0.003%
          QG1   VAL   41 - QD2   LEU   31   4.40 +/- 0.42   1.265% *  0.1047% (0.25   0.02   0.02) =   0.002%
        T HG    LEU   31 - QG2   VAL   43   6.67 +/- 0.49   0.107% *  0.0228% (0.05   0.02   0.02) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.29 +/- 0.38   0.142% *  0.0071% (0.02   0.02   3.13) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  14.42 +/- 0.34   0.001% *  0.4190% (1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.07 +/- 0.29   0.008% *  0.0284% (0.07   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD2   LEU   31  16.53 +/- 0.47   0.000% *  0.2378% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   VAL   43  13.92 +/- 0.40   0.001% *  0.0161% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.59 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 = 227.4:
    * O T QD1   LEU   31 - QD2   LEU   31   2.04 +/- 0.04  99.560% * 99.9707% (1.00   4.62 227.41) = 100.000%  kept
        T QD1   LEU   31 - QG2   VAL   43   5.08 +/- 0.21   0.440% *  0.0293% (0.07   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 259 (0.07, 0.07, 21.81 ppm):
    2 diagonal assignments:
    *     QD2   LEU   31 - QD2   LEU   31  (1.00)  kept
          QG2   VAL   43 - QG2   VAL   43  (0.02)  kept
 
    Peak 260 (4.00, 4.00, 59.42 ppm):
    3 diagonal assignments:
          HA    LYS+  33 - HA    LYS+  33  (0.54)  kept
    *     HA    GLN   32 - HA    GLN   32  (0.47)  kept
          HA    GLU-  29 - HA    GLU-  29  (0.40)  kept
 
    Peak 261 (2.11, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.688, support = 3.06, residual support = 42.4:
    * O T QB    GLN   32 - HA    GLN   32   2.35 +/- 0.08  84.948% * 36.7871% (0.69   2.96  44.26) =  93.851%  kept
        T QB    GLN   32 - HA    LYS+  33   4.14 +/- 0.27   3.332% * 60.8739% (0.71   4.76  13.90) =   6.092%  kept
        T QB    GLN   32 - HA    GLU-  29   3.33 +/- 0.29  11.692% *  0.1619% (0.45   0.02   0.02) =   0.057%
          HB    VAL   24 - HA    GLU-  29  10.35 +/- 0.19   0.012% *  0.1605% (0.44   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLN   32  12.76 +/- 0.85   0.004% *  0.1992% (0.55   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    LYS+  33  13.10 +/- 0.77   0.003% *  0.2050% (0.57   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    GLN   32  13.78 +/- 0.20   0.002% *  0.2466% (0.68   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    LYS+  33  16.27 +/- 0.33   0.001% *  0.2538% (0.70   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    LYS+  33  16.26 +/- 0.74   0.001% *  0.2364% (0.65   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    LYS+  33  14.94 +/- 2.12   0.002% *  0.0395% (0.11   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLN   32  19.74 +/- 0.60   0.000% *  0.2297% (0.63   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  29  18.02 +/- 0.78   0.000% *  0.1297% (0.36   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  29  20.79 +/- 0.57   0.000% *  0.1495% (0.41   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLU-  29  16.49 +/- 1.92   0.001% *  0.0250% (0.07   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLN   32  18.82 +/- 2.05   0.000% *  0.0384% (0.11   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    LYS+  33  27.58 +/- 0.37   0.000% *  0.0507% (0.14   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLN   32  28.28 +/- 0.46   0.000% *  0.0492% (0.14   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLN   32  29.09 +/- 1.04   0.000% *  0.0492% (0.14   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    LYS+  33  29.97 +/- 1.00   0.000% *  0.0507% (0.14   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLU-  29  28.36 +/- 1.01   0.000% *  0.0320% (0.09   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLU-  29  28.33 +/- 0.44   0.000% *  0.0320% (0.09   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 262 (2.39, 4.00, 59.42 ppm):
    21 chemical-shift based assignments, quality = 0.69, support = 3.3, residual support = 38.9:
    * O T QG    GLN   32 - HA    GLN   32   2.56 +/- 0.25  77.324% * 39.8965% (0.69   3.08  44.26) =  82.425%  kept
        T QG    GLN   32 - HA    LYS+  33   4.88 +/- 1.24  11.255% * 58.2720% (0.71   4.37  13.90) =  17.523%  kept
        T QG    GLN   32 - HA    GLU-  29   3.75 +/- 0.60  11.405% *  0.1686% (0.45   0.02   0.02) =   0.051%
          QG    GLU-  79 - HA    GLU-  29  13.99 +/- 0.57   0.003% *  0.1463% (0.39   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLN   32  12.73 +/- 0.82   0.006% *  0.0720% (0.19   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    LYS+  33  13.87 +/- 0.73   0.003% *  0.0741% (0.20   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN   32  17.46 +/- 0.51   0.001% *  0.2247% (0.60   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  33  18.22 +/- 0.39   0.001% *  0.2313% (0.61   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  21.97 +/- 0.84   0.000% *  0.1571% (0.42   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLU-  29  18.31 +/- 0.79   0.001% *  0.0469% (0.12   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  22.83 +/- 0.78   0.000% *  0.1617% (0.43   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  19.59 +/- 0.51   0.000% *  0.0577% (0.15   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  19.11 +/- 0.40   0.000% *  0.0375% (0.10   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  21.22 +/- 0.45   0.000% *  0.0594% (0.16   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.65 +/- 0.93   0.000% *  0.1023% (0.27   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  26.00 +/- 0.50   0.000% *  0.0594% (0.16   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  26.31 +/- 0.57   0.000% *  0.0577% (0.15   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  26.80 +/- 0.64   0.000% *  0.0375% (0.10   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    LYS+  33  30.25 +/- 0.50   0.000% *  0.0528% (0.14   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLN   32  30.37 +/- 0.64   0.000% *  0.0513% (0.14   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    GLU-  29  32.13 +/- 0.59   0.000% *  0.0334% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 0.691, support = 3.07, residual support = 42.2:
    * O T HA    GLN   32 - QB    GLN   32   2.35 +/- 0.08  84.965% * 35.1333% (0.69   2.96  44.26) =  93.336%  kept
        T HA    LYS+  33 - QB    GLN   32   4.14 +/- 0.27   3.333% * 62.8542% (0.76   4.76  13.90) =   6.551%  kept
        T HA    GLU-  29 - QB    GLN   32   3.33 +/- 0.29  11.695% *  0.3102% (0.90   0.02   0.02) =   0.113%
          HA    VAL   18 - QB    GLN   32  14.31 +/- 0.39   0.002% *  0.3193% (0.92   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    GLN   32  12.91 +/- 0.37   0.003% *  0.1551% (0.45   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    GLN   32  14.72 +/- 0.59   0.001% *  0.3338% (0.97   0.02   0.02) =   0.000%
          HA    SER   48 - QB    GLN   32  23.09 +/- 0.64   0.000% *  0.3193% (0.92   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    GLN   32  22.21 +/- 0.81   0.000% *  0.2512% (0.73   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    GLN   32  26.57 +/- 0.54   0.000% *  0.1551% (0.45   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    GLN   32  28.01 +/- 1.18   0.000% *  0.1684% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 3.2, residual support = 44.3:
    * O T QG    GLN   32 - QB    GLN   32   2.09 +/- 0.03  99.997% * 98.5256% (1.00   3.20  44.26) = 100.000%  kept
          QG    GLU-  79 - QB    GLN   32  15.09 +/- 0.50   0.001% *  0.5340% (0.87   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QB    GLN   32  13.48 +/- 0.78   0.002% *  0.1712% (0.28   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLN   32  21.10 +/- 0.74   0.000% *  0.3734% (0.61   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLN   32  18.30 +/- 0.56   0.000% *  0.1370% (0.22   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLN   32  24.45 +/- 0.53   0.000% *  0.1370% (0.22   0.02   0.02) =   0.000%
          HB2   GLN  116 - QB    GLN   32  28.56 +/- 0.52   0.000% *  0.1218% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.69 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 = 0.701, support = 3.32, residual support = 38.5:
    * O T HA    GLN   32 - QG    GLN   32   2.56 +/- 0.25  77.328% * 37.9639% (0.69   3.08  44.26) =  81.228%  kept
        T HA    LYS+  33 - QG    GLN   32   4.88 +/- 1.24  11.256% * 59.9482% (0.76   4.37  13.90) =  18.671%  kept
        T HA    GLU-  29 - QG    GLN   32   3.75 +/- 0.60  11.406% *  0.3219% (0.90   0.02   0.02) =   0.102%
          HB2   SER   82 - QG    GLN   32  14.26 +/- 1.45   0.003% *  0.3463% (0.97   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    GLN   32  14.74 +/- 0.38   0.002% *  0.3313% (0.92   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    GLN   32  13.36 +/- 0.67   0.004% *  0.1609% (0.45   0.02   0.02) =   0.000%
          HA    ALA   88 - QG    GLN   32  21.75 +/- 1.55   0.000% *  0.2606% (0.73   0.02   0.02) =   0.000%
          HA    SER   48 - QG    GLN   32  23.06 +/- 0.92   0.000% *  0.3313% (0.92   0.02   0.02) =   0.000%
        T HA    GLN  116 - QG    GLN   32  26.69 +/- 0.76   0.000% *  0.1609% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG    GLN   32  27.93 +/- 1.28   0.000% *  0.1747% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 3.2, residual support = 44.3:
    * O T QB    GLN   32 - QG    GLN   32   2.09 +/- 0.03  99.993% * 98.0008% (1.00   3.20  44.26) = 100.000%  kept
          HB    VAL   24 - QG    GLN   32  11.36 +/- 1.35   0.005% *  0.6069% (0.99   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QG    GLN   32  13.56 +/- 0.78   0.001% *  0.4903% (0.80   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLN   32  18.70 +/- 0.80   0.000% *  0.5652% (0.92   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG    GLN   32  16.60 +/- 2.25   0.001% *  0.0945% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLN   32  26.26 +/- 0.58   0.000% *  0.1212% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLN   32  26.63 +/- 1.20   0.000% *  0.1212% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.77 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 = 6.49, residual support = 156.0:
    * O T QB    LYS+  33 - HA    LYS+  33   2.24 +/- 0.07  98.551% * 95.9384% (1.00   6.49 155.97) =  99.999%  kept
        T QB    LYS+  33 - HA    GLN   32   5.38 +/- 0.18   0.520% *  0.0760% (0.26   0.02  13.90) =   0.000%
        T QB    LYS+  33 - HA    GLU-  29   5.75 +/- 0.80   0.478% *  0.0825% (0.28   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  29   5.98 +/- 0.16   0.281% *  0.0206% (0.07   0.02  17.88) =   0.000%
          HB3   GLN   30 - HA    LYS+  33   7.52 +/- 0.16   0.071% *  0.0737% (0.25   0.02   0.79) =   0.000%
          HB3   LYS+  38 - HA    LYS+  33   9.85 +/- 0.41   0.015% *  0.1215% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   32   7.59 +/- 0.15   0.067% *  0.0190% (0.06   0.02   1.51) =   0.000%
          HB3   LYS+  38 - HA    GLN   32  10.30 +/- 0.26   0.011% *  0.0312% (0.11   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+  33  17.49 +/- 0.60   0.000% *  0.2728% (0.92   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  33  18.30 +/- 0.78   0.000% *  0.2796% (0.95   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  33  19.36 +/- 0.53   0.000% *  0.2796% (0.95   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   32  15.90 +/- 1.01   0.001% *  0.0719% (0.24   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  33  19.91 +/- 0.43   0.000% *  0.2897% (0.98   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    GLU-  29  16.48 +/- 0.40   0.001% *  0.0796% (0.27   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LYS+  33  21.56 +/- 0.42   0.000% *  0.2852% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLU-  29  15.57 +/- 0.56   0.001% *  0.0339% (0.11   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   32  17.73 +/- 0.71   0.000% *  0.0719% (0.24   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   32  19.26 +/- 0.65   0.000% *  0.0745% (0.25   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    GLN   32  19.49 +/- 0.34   0.000% *  0.0733% (0.25   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU-  29  20.03 +/- 0.94   0.000% *  0.0781% (0.26   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU-  29  20.13 +/- 0.65   0.000% *  0.0781% (0.26   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   32  20.74 +/- 0.53   0.000% *  0.0702% (0.24   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU-  29  22.28 +/- 0.46   0.000% *  0.0762% (0.26   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU-  29  22.57 +/- 0.59   0.000% *  0.0809% (0.27   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+  33  28.60 +/- 0.96   0.000% *  0.2852% (0.97   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  33  26.36 +/- 0.56   0.000% *  0.1673% (0.57   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  33  29.12 +/- 0.66   0.000% *  0.2929% (0.99   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  33  24.92 +/- 1.07   0.000% *  0.0737% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU-  29  25.53 +/- 0.57   0.000% *  0.0818% (0.28   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   32  26.97 +/- 0.85   0.000% *  0.0753% (0.25   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU-  29  27.46 +/- 0.99   0.000% *  0.0796% (0.27   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  33  25.51 +/- 1.89   0.000% *  0.0456% (0.15   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU-  29  26.05 +/- 0.62   0.000% *  0.0467% (0.16   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   32  26.05 +/- 0.66   0.000% *  0.0430% (0.15   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   32  29.09 +/- 1.00   0.000% *  0.0733% (0.25   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  33  30.05 +/- 0.99   0.000% *  0.0737% (0.25   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  29  23.41 +/- 2.39   0.000% *  0.0127% (0.04   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   32  23.60 +/- 2.05   0.000% *  0.0117% (0.04   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLN   32  26.27 +/- 1.06   0.000% *  0.0190% (0.06   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLU-  29  28.77 +/- 0.98   0.000% *  0.0206% (0.07   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLU-  29  28.93 +/- 0.99   0.000% *  0.0206% (0.07   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLN   32  29.39 +/- 1.06   0.000% *  0.0190% (0.06   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (1.38, 4.01, 59.34 ppm):
    45 chemical-shift based assignments, quality = 1.0, support = 5.72, residual support = 156.0:
    * O T HG3   LYS+  33 - HA    LYS+  33   3.09 +/- 0.19  91.201% * 95.5942% (1.00   5.72 155.97) =  99.991%  kept
        T HG3   LYS+  33 - HA    GLU-  29   6.23 +/- 1.79   5.209% *  0.0934% (0.28   0.02   0.02) =   0.006%
        T HG3   LYS+  33 - HA    GLN   32   5.91 +/- 0.84   3.104% *  0.0860% (0.26   0.02  13.90) =   0.003%
          HB3   LEU   73 - HA    LYS+  33  11.53 +/- 0.38   0.036% *  0.3227% (0.97   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  33  11.42 +/- 0.50   0.039% *  0.1760% (0.53   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLU-  29  10.43 +/- 0.32   0.065% *  0.0901% (0.27   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLN   32   9.76 +/- 0.67   0.099% *  0.0452% (0.14   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  33  13.89 +/- 0.29   0.012% *  0.3315% (0.99   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  33  15.56 +/- 2.88   0.014% *  0.2678% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLN   32  11.60 +/- 0.18   0.033% *  0.0830% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+  33  16.99 +/- 1.34   0.004% *  0.3164% (0.95   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  33  12.78 +/- 1.35   0.023% *  0.0516% (0.15   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLN   32  14.76 +/- 1.63   0.010% *  0.0814% (0.24   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLN   32  14.53 +/- 0.39   0.009% *  0.0852% (0.25   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLN   32  11.25 +/- 1.31   0.054% *  0.0133% (0.04   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLU-  29  13.43 +/- 0.76   0.014% *  0.0491% (0.15   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLU-  29  17.53 +/- 2.77   0.007% *  0.0748% (0.22   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  29  16.22 +/- 0.47   0.005% *  0.0925% (0.28   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  33  19.45 +/- 0.87   0.002% *  0.2678% (0.80   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+  33  20.34 +/- 0.80   0.001% *  0.3315% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  33  16.58 +/- 0.30   0.004% *  0.0930% (0.28   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLN   32  19.15 +/- 2.78   0.003% *  0.0689% (0.21   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLU-  29  14.99 +/- 0.34   0.007% *  0.0260% (0.08   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLN   32  17.69 +/- 1.03   0.003% *  0.0689% (0.21   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLU-  29  14.12 +/- 0.32   0.010% *  0.0144% (0.04   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLU-  29  20.15 +/- 1.59   0.001% *  0.0883% (0.26   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU-  29  14.76 +/- 1.11   0.008% *  0.0144% (0.04   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLU-  29  15.78 +/- 0.28   0.005% *  0.0208% (0.06   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  33  19.59 +/- 0.36   0.001% *  0.0745% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  33  18.71 +/- 0.38   0.002% *  0.0516% (0.15   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLU-  29  20.65 +/- 1.17   0.001% *  0.0748% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLN   32  17.07 +/- 0.22   0.003% *  0.0239% (0.07   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLU-  29  22.60 +/- 0.72   0.001% *  0.0925% (0.28   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLN   32  16.59 +/- 0.43   0.004% *  0.0133% (0.04   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLN   32  17.63 +/- 0.37   0.003% *  0.0191% (0.06   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLN   32  22.90 +/- 0.68   0.001% *  0.0852% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LYS+  33  23.90 +/- 1.36   0.000% *  0.0834% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  33  25.32 +/- 0.89   0.000% *  0.0834% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  33  31.66 +/- 0.53   0.000% *  0.2999% (0.90   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLN   32  23.59 +/- 1.54   0.000% *  0.0214% (0.06   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  29  24.48 +/- 0.81   0.000% *  0.0233% (0.07   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLN   32  24.48 +/- 0.84   0.000% *  0.0214% (0.06   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLN   32  31.43 +/- 0.57   0.000% *  0.0771% (0.23   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  29  32.17 +/- 0.59   0.000% *  0.0837% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLU-  29  26.93 +/- 1.33   0.000% *  0.0233% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 273 (1.63, 4.01, 59.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 156.0:
    *   T QD    LYS+  33 - HA    LYS+  33   3.01 +/- 0.72  97.276% * 97.6951% (1.00   5.05 155.97) =  99.997%  kept
        T QD    LYS+  33 - HA    GLU-  29   6.07 +/- 1.07   1.640% *  0.1080% (0.28   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HA    GLN   32   6.52 +/- 1.06   1.065% *  0.0995% (0.26   0.02  13.90) =   0.001%
          HD2   LYS+  74 - HA    LYS+  33  18.31 +/- 0.44   0.004% *  0.2191% (0.57   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  33  20.95 +/- 0.37   0.002% *  0.3356% (0.87   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLU-  29  17.32 +/- 0.38   0.005% *  0.0612% (0.16   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLN   32  18.53 +/- 0.45   0.003% *  0.0563% (0.15   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLU-  29  20.61 +/- 0.44   0.002% *  0.0937% (0.24   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  33  25.97 +/- 0.82   0.000% *  0.3869% (1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLN   32  21.49 +/- 0.36   0.001% *  0.0863% (0.22   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  33  31.94 +/- 0.63   0.000% *  0.3470% (0.90   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLN   32  27.37 +/- 0.86   0.000% *  0.0995% (0.26   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLU-  29  30.23 +/- 0.75   0.000% *  0.1080% (0.28   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLN   32  30.70 +/- 0.85   0.000% *  0.0892% (0.23   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LYS+  33  29.81 +/- 0.89   0.000% *  0.0766% (0.20   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLU-  29  32.33 +/- 0.73   0.000% *  0.0969% (0.25   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLU-  29  28.67 +/- 0.94   0.000% *  0.0214% (0.06   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   32  30.33 +/- 0.91   0.000% *  0.0197% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.04 A, kept.
 
    Peak 274 (2.92, 4.01, 59.34 ppm):
    24 chemical-shift based assignments, quality = 0.932, support = 5.47, residual support = 145.0:
    *   T QE    LYS+  33 - HA    LYS+  33   3.20 +/- 0.97  29.602% * 94.4969% (1.00   5.72 155.97) =  92.572%  kept
        T HB2   ASN   35 - HA    GLN   32   2.39 +/- 0.16  66.671% *  3.3617% (0.09   2.32   7.90) =   7.417%  kept
        T HB2   ASN   28 - HA    GLU-  29   4.51 +/- 0.11   1.609% *  0.0904% (0.27   0.02  31.89) =   0.005%
        T QE    LYS+  33 - HA    GLU-  29   5.85 +/- 1.83   0.964% *  0.0922% (0.28   0.02   0.02) =   0.003%
        T QE    LYS+  33 - HA    GLN   32   6.07 +/- 1.71   0.634% *  0.0849% (0.26   0.02  13.90) =   0.002%
        T HB2   ASN   35 - HA    LYS+  33   5.61 +/- 0.16   0.412% *  0.1126% (0.34   0.02   0.50) =   0.002%
        T HB2   ASN   28 - HA    GLN   32   8.08 +/- 0.29   0.046% *  0.0832% (0.25   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LYS+  33  10.57 +/- 0.24   0.010% *  0.3237% (0.98   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    GLU-  29   8.14 +/- 0.29   0.046% *  0.0314% (0.10   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    LYS+  33  13.43 +/- 0.81   0.002% *  0.0510% (0.15   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+  33  20.01 +/- 1.70   0.000% *  0.2962% (0.90   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  29  17.89 +/- 0.85   0.000% *  0.0633% (0.19   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  33  22.23 +/- 0.86   0.000% *  0.2268% (0.69   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLN   32  18.76 +/- 0.89   0.000% *  0.0583% (0.18   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  33  20.18 +/- 0.58   0.000% *  0.0735% (0.22   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLU-  29  16.54 +/- 0.62   0.001% *  0.0205% (0.06   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  33  24.73 +/- 0.58   0.000% *  0.2136% (0.65   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  29  20.68 +/- 0.55   0.000% *  0.0596% (0.18   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLU-  29  22.05 +/- 1.66   0.000% *  0.0827% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLN   32  16.74 +/- 0.83   0.001% *  0.0131% (0.04   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLN   32  22.39 +/- 1.45   0.000% *  0.0762% (0.23   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLN   32  19.45 +/- 0.48   0.000% *  0.0189% (0.06   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  29  19.04 +/- 0.83   0.000% *  0.0142% (0.04   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLN   32  23.69 +/- 0.47   0.000% *  0.0549% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 275 (4.01, 1.86, 32.27 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 6.49, residual support = 156.0:
    * O T HA    LYS+  33 - QB    LYS+  33   2.24 +/- 0.07  97.811% * 98.1756% (1.00   6.49 155.97) =  99.997%  kept
        T HA    GLU-  29 - QB    LYS+  33   5.75 +/- 0.80   0.477% *  0.2919% (0.97   0.02   0.02) =   0.001%
          HB2   SER   37 - QB    LYS+  33   5.39 +/- 1.04   1.150% *  0.0673% (0.22   0.02   0.02) =   0.001%
        T HA    GLN   32 - QB    LYS+  33   5.38 +/- 0.18   0.516% *  0.0841% (0.28   0.02  13.90) =   0.000%
          HA    VAL   70 - QB    LYS+  33   8.79 +/- 0.78   0.034% *  0.2623% (0.87   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  33  10.31 +/- 0.46   0.011% *  0.2861% (0.95   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    LYS+  33  16.68 +/- 0.71   0.001% *  0.2712% (0.90   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  33  21.39 +/- 0.58   0.000% *  0.1591% (0.53   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    LYS+  33  23.42 +/- 0.71   0.000% *  0.2623% (0.87   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  33  23.29 +/- 0.69   0.000% *  0.0933% (0.31   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  33  26.18 +/- 1.09   0.000% *  0.0467% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 5.73, residual support = 156.0:
    * O T HG3   LYS+  33 - QB    LYS+  33   2.46 +/- 0.08  99.848% * 97.2086% (1.00   5.73 155.97) = 100.000%  kept
          HB3   LEU   73 - QB    LYS+  33   8.31 +/- 0.40   0.071% *  0.3275% (0.97   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+  33  10.99 +/- 0.62   0.013% *  0.3363% (0.99   0.02   0.02) =   0.000%
        T QB    LEU   98 - QB    LYS+  33  10.00 +/- 0.54   0.024% *  0.1785% (0.53   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+  33  12.77 +/- 2.40   0.014% *  0.2717% (0.80   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+  33  10.90 +/- 1.12   0.017% *  0.0524% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+  33  12.69 +/- 0.27   0.005% *  0.0944% (0.28   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QB    LYS+  33  15.85 +/- 1.15   0.002% *  0.3210% (0.95   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+  33  16.31 +/- 0.78   0.001% *  0.3363% (0.99   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QB    LYS+  33  16.64 +/- 0.84   0.001% *  0.2717% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  33  15.30 +/- 0.46   0.002% *  0.0524% (0.15   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+  33  16.33 +/- 0.42   0.001% *  0.0756% (0.22   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+  33  20.61 +/- 1.25   0.000% *  0.0846% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+  33  20.93 +/- 0.83   0.000% *  0.0846% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+  33  26.65 +/- 0.61   0.000% *  0.3043% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (1.63, 1.86, 32.27 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 156.0:
    * O T QD    LYS+  33 - QB    LYS+  33   2.30 +/- 0.26  99.997% * 98.6265% (1.00   5.07 155.97) = 100.000%  kept
        T HD2   LYS+  74 - QB    LYS+  33  14.34 +/- 0.44   0.002% *  0.2204% (0.57   0.02   0.02) =   0.000%
          QB    ALA   57 - QB    LYS+  33  17.01 +/- 0.41   0.001% *  0.3377% (0.87   0.02   0.02) =   0.000%
        T HB3   LEU  123 - QB    LYS+  33  22.30 +/- 1.04   0.000% *  0.3893% (1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  33  27.27 +/- 0.56   0.000% *  0.3491% (0.90   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - QB    LYS+  33  24.52 +/- 0.85   0.000% *  0.0770% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 280 (2.92, 1.86, 32.27 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 156.0:
    *   T QE    LYS+  33 - QB    LYS+  33   2.90 +/- 0.67  97.785% * 98.6250% (1.00   5.64 155.97) =  99.997%  kept
          HB2   ASN   35 - QB    LYS+  33   6.08 +/- 0.12   1.953% *  0.1194% (0.34   0.02   0.50) =   0.002%
          HB2   ASN   28 - QB    LYS+  33   8.91 +/- 0.62   0.197% *  0.3430% (0.98   0.02   0.02) =   0.001%
          HB2   ASN   69 - QB    LYS+  33  11.37 +/- 0.93   0.048% *  0.0540% (0.15   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QB    LYS+  33  16.23 +/- 1.64   0.008% *  0.3139% (0.90   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  33  19.03 +/- 0.86   0.002% *  0.2404% (0.69   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  33  16.12 +/- 0.55   0.006% *  0.0779% (0.22   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  33  20.24 +/- 0.62   0.001% *  0.2264% (0.65   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 287 (4.01, 1.38, 25.23 ppm):
    44 chemical-shift based assignments, quality = 1.0, support = 5.72, residual support = 155.9:
    * O T HA    LYS+  33 - HG3   LYS+  33   3.09 +/- 0.19  85.294% * 93.4400% (1.00   5.72 155.97) =  99.969%  kept
        T HA    GLU-  29 - HG3   LYS+  33   6.23 +/- 1.79   5.167% *  0.3155% (0.97   0.02   0.02) =   0.020%
          HB2   SER   37 - HG3   LYS+  33   6.23 +/- 1.76   5.959% *  0.0728% (0.22   0.02   0.02) =   0.005%
        T HA    GLN   32 - HG3   LYS+  33   5.91 +/- 0.84   3.051% *  0.0909% (0.28   0.02  13.90) =   0.003%
          HA    VAL   18 - HG3   LYS+  65   8.07 +/- 0.57   0.294% *  0.2670% (0.82   0.02   0.02) =   0.001%
          HA    VAL   70 - HG3   LYS+  33  10.09 +/- 1.70   0.104% *  0.2836% (0.87   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+  33  11.97 +/- 0.67   0.028% *  0.3092% (0.95   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+  65  12.14 +/- 0.75   0.026% *  0.2449% (0.75   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  65  15.01 +/- 0.95   0.007% *  0.2449% (0.75   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 106  14.55 +/- 0.35   0.008% *  0.1802% (0.55   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 106  14.86 +/- 0.56   0.007% *  0.1802% (0.55   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 106  16.00 +/- 1.04   0.005% *  0.1965% (0.60   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 102  15.69 +/- 0.55   0.005% *  0.1409% (0.43   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  33  18.68 +/- 1.54   0.002% *  0.2932% (0.90   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 102  16.99 +/- 1.34   0.004% *  0.1624% (0.50   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 102  14.76 +/- 1.63   0.010% *  0.0451% (0.14   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+  65  20.34 +/- 0.80   0.001% *  0.2823% (0.86   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 106  19.45 +/- 0.87   0.001% *  0.2077% (0.64   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  19.08 +/- 1.26   0.002% *  0.1485% (0.45   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 102  15.67 +/- 1.43   0.006% *  0.0362% (0.11   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 102  20.15 +/- 1.59   0.001% *  0.1567% (0.48   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 106  20.65 +/- 1.17   0.001% *  0.2005% (0.61   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 106  20.75 +/- 1.31   0.001% *  0.1863% (0.57   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+  65  22.60 +/- 0.72   0.001% *  0.2724% (0.83   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  17.69 +/- 1.03   0.003% *  0.0578% (0.18   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 102  21.36 +/- 0.73   0.001% *  0.1536% (0.47   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+  65  18.73 +/- 0.93   0.002% *  0.0628% (0.19   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  21.06 +/- 0.91   0.001% *  0.1093% (0.33   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 106  18.95 +/- 0.90   0.002% *  0.0462% (0.14   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  24.21 +/- 1.10   0.000% *  0.1720% (0.53   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  20.27 +/- 0.76   0.001% *  0.0641% (0.20   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 102  23.34 +/- 1.06   0.001% *  0.1409% (0.43   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  33  26.52 +/- 1.12   0.000% *  0.2836% (0.87   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 102  24.83 +/- 1.33   0.000% *  0.1456% (0.45   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  20.24 +/- 1.42   0.001% *  0.0321% (0.10   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  65  27.71 +/- 0.82   0.000% *  0.2532% (0.77   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  22.90 +/- 0.68   0.001% *  0.0785% (0.24   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  21.49 +/- 1.05   0.001% *  0.0436% (0.13   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  26.16 +/- 1.14   0.000% *  0.1009% (0.31   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  27.59 +/- 1.03   0.000% *  0.0501% (0.15   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  29.90 +/- 0.52   0.000% *  0.0871% (0.27   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  30.55 +/- 0.76   0.000% *  0.0854% (0.26   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  29.59 +/- 1.49   0.000% *  0.0504% (0.15   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  31.29 +/- 1.36   0.000% *  0.0251% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.837, support = 5.75, residual support = 145.8:
    * O T QB    LYS+  33 - HG3   LYS+  33   2.46 +/- 0.08  45.995% * 58.8112% (1.00   5.73 155.97) =  59.199%  kept
      O T QB    LYS+ 106 - HG3   LYS+ 106   2.41 +/- 0.11  52.341% * 35.6153% (0.60   5.77 131.09) =  40.797%  kept
          HB    ILE  103 - HG3   LYS+ 106   5.20 +/- 0.64   0.651% *  0.1234% (0.60   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HG3   LYS+ 106   5.47 +/- 0.18   0.389% *  0.1279% (0.62   0.02  21.37) =   0.001%
          HB3   GLN   30 - HG3   LYS+  33   5.92 +/- 1.13   0.435% *  0.0512% (0.25   0.02   0.79) =   0.000%
          HB    ILE  103 - HG3   LYS+ 102   6.75 +/- 0.51   0.123% *  0.0965% (0.47   0.02  22.42) =   0.000%
          HG3   PRO   68 - HG3   LYS+  65   9.34 +/- 1.42   0.021% *  0.1637% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  33  11.09 +/- 1.30   0.008% *  0.0844% (0.41   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 102  10.06 +/- 1.70   0.014% *  0.0419% (0.20   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+ 102  12.02 +/- 0.90   0.004% *  0.1000% (0.49   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+ 102  11.82 +/- 0.65   0.004% *  0.0965% (0.47   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  65  15.17 +/- 1.09   0.001% *  0.1711% (0.83   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  33  16.65 +/- 1.72   0.001% *  0.1895% (0.92   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 106  14.15 +/- 0.88   0.001% *  0.0739% (0.36   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+  65  16.31 +/- 0.78   0.001% *  0.1773% (0.86   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  13.47 +/- 0.65   0.002% *  0.0442% (0.22   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  65  15.62 +/- 0.76   0.001% *  0.1004% (0.49   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 102  15.85 +/- 1.15   0.001% *  0.1020% (0.50   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 106  16.64 +/- 0.84   0.001% *  0.1305% (0.64   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  65  17.55 +/- 0.52   0.000% *  0.1738% (0.85   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  33  18.21 +/- 0.94   0.000% *  0.1942% (0.95   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  33  18.67 +/- 0.66   0.000% *  0.1942% (0.95   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 106  12.98 +/- 0.81   0.002% *  0.0201% (0.10   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  33  19.28 +/- 1.13   0.000% *  0.2012% (0.98   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  65  18.58 +/- 0.49   0.000% *  0.1677% (0.82   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  33  20.32 +/- 1.39   0.000% *  0.1981% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 106  16.33 +/- 0.70   0.001% *  0.0536% (0.26   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 106  19.49 +/- 0.80   0.000% *  0.1293% (0.63   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 106  16.16 +/- 1.17   0.001% *  0.0325% (0.16   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  16.27 +/- 0.47   0.001% *  0.0325% (0.16   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 106  20.45 +/- 1.04   0.000% *  0.1204% (0.59   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  65  17.30 +/- 0.62   0.000% *  0.0442% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 106  20.81 +/- 0.94   0.000% *  0.1259% (0.61   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 106  21.41 +/- 1.07   0.000% *  0.1259% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  17.40 +/- 1.33   0.000% *  0.0325% (0.16   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  65  23.27 +/- 0.47   0.000% *  0.1677% (0.82   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  65  21.77 +/- 1.72   0.000% *  0.0729% (0.36   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 102  22.28 +/- 1.23   0.000% *  0.0941% (0.46   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  19.66 +/- 0.87   0.000% *  0.0442% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 102  18.19 +/- 1.26   0.000% *  0.0254% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  65  25.45 +/- 0.51   0.000% *  0.1711% (0.83   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  33  26.59 +/- 0.90   0.000% *  0.1981% (0.97   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  33  24.68 +/- 0.75   0.000% *  0.1162% (0.57   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  65  26.96 +/- 0.78   0.000% *  0.1757% (0.86   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  33  27.60 +/- 0.93   0.000% *  0.2035% (0.99   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 102  26.11 +/- 1.11   0.000% *  0.0984% (0.48   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  21.26 +/- 1.22   0.000% *  0.0254% (0.12   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  24.02 +/- 1.63   0.000% *  0.0512% (0.25   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 102  25.06 +/- 0.66   0.000% *  0.0577% (0.28   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  65  22.41 +/- 0.68   0.000% *  0.0274% (0.13   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  33  24.07 +/- 1.91   0.000% *  0.0317% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 102  28.88 +/- 1.07   0.000% *  0.1011% (0.49   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 102  23.23 +/- 1.08   0.000% *  0.0157% (0.08   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  28.31 +/- 1.18   0.000% *  0.0512% (0.25   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 102  31.56 +/- 0.74   0.000% *  0.0984% (0.48   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.60 +/- 1.14   0.000% *  0.0254% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.79 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 = 4.26, residual support = 156.0:
    * O T QD    LYS+  33 - HG3   LYS+  33   2.42 +/- 0.15  99.941% * 94.4267% (1.00   4.26 155.97) = 100.000%  kept
          QB    ALA   57 - HG3   LYS+  65   9.56 +/- 0.67   0.033% *  0.3322% (0.75   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  65  11.99 +/- 1.13   0.008% *  0.2168% (0.49   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 106  13.93 +/- 0.75   0.003% *  0.2528% (0.57   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  65  15.46 +/- 0.73   0.002% *  0.3830% (0.86   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+  65  16.60 +/- 1.92   0.001% *  0.3830% (0.86   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 106  14.27 +/- 1.31   0.003% *  0.1596% (0.36   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 106  15.01 +/- 0.68   0.002% *  0.2445% (0.55   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  33  16.43 +/- 0.72   0.001% *  0.2511% (0.57   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 106  17.64 +/- 0.49   0.001% *  0.2818% (0.64   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 102  17.34 +/- 1.23   0.001% *  0.2203% (0.50   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 106  18.34 +/- 1.29   0.001% *  0.2818% (0.64   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  33  19.34 +/- 0.53   0.000% *  0.3847% (0.87   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  65  15.92 +/- 1.10   0.002% *  0.0758% (0.17   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 102  21.50 +/- 1.30   0.000% *  0.2203% (0.50   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  65  23.78 +/- 0.83   0.000% *  0.3435% (0.77   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  33  25.23 +/- 1.54   0.000% *  0.4435% (1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 102  23.16 +/- 0.46   0.000% *  0.1911% (0.43   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 102  22.63 +/- 0.93   0.000% *  0.1247% (0.28   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 102  24.42 +/- 1.00   0.000% *  0.1976% (0.45   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  33  30.74 +/- 0.92   0.000% *  0.3978% (0.90   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 106  22.47 +/- 0.92   0.000% *  0.0558% (0.13   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  33  27.80 +/- 0.88   0.000% *  0.0878% (0.20   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 102  32.70 +/- 0.69   0.000% *  0.0436% (0.10   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.09 A, kept.
 
    Peak 292 (2.92, 1.38, 25.23 ppm):
    32 chemical-shift based assignments, quality = 0.936, support = 4.57, residual support = 157.2:
    * O T QE    LYS+  33 - HG3   LYS+  33   2.53 +/- 0.54  64.084% * 56.6407% (1.00   4.68 155.97) =  71.694%  kept
      O T QE    LYS+  65 - HG3   LYS+  65   2.90 +/- 0.60  35.636% * 40.2146% (0.77   4.29 160.36) =  28.306%  kept
          HB2   ASN   35 - HG3   LYS+  33   6.75 +/- 0.30   0.207% *  0.0826% (0.34   0.02   0.50) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33   9.89 +/- 1.71   0.028% *  0.2373% (0.98   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  12.49 +/- 1.64   0.014% *  0.0410% (0.17   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  33  13.00 +/- 2.11   0.012% *  0.0373% (0.15   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  17.10 +/- 2.39   0.002% *  0.2090% (0.86   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  65  12.87 +/- 1.10   0.006% *  0.0323% (0.13   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  18.19 +/- 1.15   0.001% *  0.1538% (0.64   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  17.00 +/- 1.12   0.001% *  0.1202% (0.50   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  18.49 +/- 1.94   0.001% *  0.2171% (0.90   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  17.29 +/- 1.05   0.001% *  0.1057% (0.44   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  16.00 +/- 0.93   0.002% *  0.0525% (0.22   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  19.61 +/- 1.22   0.000% *  0.1508% (0.62   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  19.57 +/- 0.72   0.000% *  0.1379% (0.57   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  20.33 +/- 1.57   0.000% *  0.1179% (0.49   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  21.36 +/- 1.13   0.000% *  0.1663% (0.69   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  33  18.29 +/- 1.18   0.001% *  0.0539% (0.22   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  21.10 +/- 0.97   0.000% *  0.0995% (0.41   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  22.07 +/- 0.67   0.000% *  0.1352% (0.56   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  65  18.67 +/- 0.70   0.001% *  0.0465% (0.19   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  22.88 +/- 0.96   0.000% *  0.1566% (0.65   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  24.09 +/- 0.59   0.000% *  0.2049% (0.85   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 106  18.39 +/- 1.02   0.001% *  0.0342% (0.14   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  22.41 +/- 1.20   0.000% *  0.0826% (0.34   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  22.40 +/- 0.76   0.000% *  0.0713% (0.29   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 106  19.27 +/- 0.79   0.000% *  0.0237% (0.10   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 102  18.90 +/- 0.96   0.001% *  0.0186% (0.08   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  24.94 +/- 0.90   0.000% *  0.1078% (0.45   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  28.64 +/- 0.56   0.000% *  0.1436% (0.59   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  29.58 +/- 0.82   0.000% *  0.0778% (0.32   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 102  26.09 +/- 0.94   0.000% *  0.0268% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (4.01, 1.63, 29.57 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 155.9:
    *   T HA    LYS+  33 - QD    LYS+  33   3.01 +/- 0.72  91.474% * 95.3426% (1.00   5.05 155.97) =  99.984%  kept
        T HA    GLU-  29 - QD    LYS+  33   6.07 +/- 1.07   1.527% *  0.3644% (0.97   0.02   0.02) =   0.006%
          HB2   SER   37 - QD    LYS+  33   5.98 +/- 0.90   5.214% *  0.0841% (0.22   0.02   0.02) =   0.005%
          HA    VAL   70 - QD    LYS+  33   9.56 +/- 1.58   0.525% *  0.3275% (0.87   0.02   0.02) =   0.002%
        T HA    GLN   32 - QD    LYS+  33   6.52 +/- 1.06   0.981% *  0.1050% (0.28   0.02  13.90) =   0.001%
          HA    VAL   18 - QD    LYS+  33  10.88 +/- 1.47   0.187% *  0.3572% (0.95   0.02   0.02) =   0.001%
          HA    GLN  116 - HD3   LYS+ 111  11.27 +/- 0.56   0.067% *  0.2935% (0.78   0.02   0.02) =   0.000%
          HB2   SER   82 - QD    LYS+  33  17.62 +/- 0.58   0.004% *  0.3386% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  14.49 +/- 0.99   0.014% *  0.0522% (0.14   0.02   0.02) =   0.000%
          HA    GLN  116 - QD    LYS+  33  24.57 +/- 1.47   0.001% *  0.3275% (0.87   0.02   0.02) =   0.000%
          HA    SER   48 - HD3   LYS+ 111  20.97 +/- 0.73   0.001% *  0.1780% (0.47   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   LYS+ 111  23.28 +/- 0.61   0.001% *  0.3201% (0.85   0.02   0.02) =   0.000%
          HA    SER   48 - QD    LYS+  33  22.15 +/- 0.98   0.001% *  0.1987% (0.53   0.02   0.02) =   0.000%
          HA    VAL   70 - HD3   LYS+ 111  25.22 +/- 0.64   0.000% *  0.2935% (0.78   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  23.05 +/- 0.79   0.001% *  0.1044% (0.28   0.02   0.02) =   0.000%
          HB2   SER   82 - HD3   LYS+ 111  28.49 +/- 0.78   0.000% *  0.3035% (0.80   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  33  24.53 +/- 0.69   0.001% *  0.1165% (0.31   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HD3   LYS+ 111  31.94 +/- 0.63   0.000% *  0.3384% (0.90   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HD3   LYS+ 111  32.33 +/- 0.73   0.000% *  0.3266% (0.86   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  33  27.25 +/- 1.41   0.000% *  0.0583% (0.15   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  30.70 +/- 0.85   0.000% *  0.0941% (0.25   0.02   0.02) =   0.000%
          HB2   SER   37 - HD3   LYS+ 111  31.28 +/- 0.75   0.000% *  0.0753% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 294 (1.86, 1.63, 29.57 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 156.0:
    * O T QB    LYS+  33 - QD    LYS+  33   2.30 +/- 0.26  99.628% * 93.6444% (1.00   5.07 155.97) = 100.000%  kept
          HB3   GLN   30 - QD    LYS+  33   6.33 +/- 0.43   0.289% *  0.0922% (0.25   0.02   0.79) =   0.000%
          QB    LYS+ 106 - HD3   LYS+ 111  10.41 +/- 0.60   0.019% *  0.3133% (0.85   0.02   0.02) =   0.000%
          HB    ILE   56 - HD3   LYS+ 111  10.62 +/- 0.47   0.014% *  0.1875% (0.51   0.02   2.29) =   0.000%
          HB3   LYS+  38 - QD    LYS+  33  10.93 +/- 0.54   0.011% *  0.1520% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD3   LYS+ 111  11.11 +/- 0.81   0.013% *  0.0826% (0.22   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   LYS+ 111  12.98 +/- 2.34   0.017% *  0.0511% (0.14   0.02   0.02) =   0.000%
        T HG3   PRO   68 - QD    LYS+  33  14.76 +/- 1.72   0.002% *  0.3412% (0.92   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   LYS+ 111  14.53 +/- 0.67   0.002% *  0.3247% (0.88   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  33  17.94 +/- 0.88   0.001% *  0.3496% (0.95   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  33  18.05 +/- 0.88   0.001% *  0.3496% (0.95   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   LYS+ 111  18.30 +/- 0.76   0.001% *  0.3133% (0.85   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  33  18.57 +/- 1.21   0.000% *  0.3623% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   LYS+ 111  18.80 +/- 0.88   0.000% *  0.3283% (0.89   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HD3   LYS+ 111  18.38 +/- 0.62   0.000% *  0.3196% (0.86   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  33  18.83 +/- 0.50   0.000% *  0.3567% (0.97   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD3   LYS+ 111  18.55 +/- 1.06   0.000% *  0.0826% (0.22   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - QD    LYS+  33  24.19 +/- 1.42   0.000% *  0.3567% (0.97   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  33  22.95 +/- 1.32   0.000% *  0.2093% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   LYS+ 111  25.25 +/- 0.63   0.000% *  0.3196% (0.86   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  33  25.73 +/- 0.77   0.000% *  0.3663% (0.99   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD3   LYS+ 111  27.27 +/- 0.56   0.000% *  0.3312% (0.90   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  33  22.13 +/- 1.62   0.000% *  0.0922% (0.25   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   LYS+ 111  27.61 +/- 0.87   0.000% *  0.3057% (0.83   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  33  22.75 +/- 1.75   0.000% *  0.0570% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  33  26.20 +/- 1.45   0.000% *  0.0922% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   LYS+ 111  27.05 +/- 0.72   0.000% *  0.0826% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   LYS+ 111  29.42 +/- 1.06   0.000% *  0.1362% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 4.26, residual support = 156.0:
    * O T HG3   LYS+  33 - QD    LYS+  33   2.42 +/- 0.15  99.758% * 92.8101% (1.00   4.26 155.97) =  99.999%  kept
          HB2   LYS+ 112 - HD3   LYS+ 111   7.70 +/- 0.27   0.108% *  0.3503% (0.80   0.02  26.37) =   0.000%
          HB3   LEU   73 - QD    LYS+  33   9.56 +/- 0.95   0.036% *  0.4207% (0.97   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  33  12.02 +/- 2.60   0.039% *  0.3491% (0.80   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  33  12.28 +/- 1.30   0.008% *  0.4321% (0.99   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  33  11.57 +/- 0.72   0.009% *  0.2294% (0.53   0.02   0.02) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  10.53 +/- 0.67   0.016% *  0.0974% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HD3   LYS+ 111  13.93 +/- 0.75   0.003% *  0.3128% (0.72   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+  33  16.60 +/- 1.92   0.001% *  0.4321% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  33  13.46 +/- 1.10   0.004% *  0.1212% (0.28   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HD3   LYS+ 111  13.62 +/- 1.83   0.005% *  0.0974% (0.22   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  12.66 +/- 1.44   0.006% *  0.0673% (0.15   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  33  17.34 +/- 1.23   0.001% *  0.4124% (0.95   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  33  18.34 +/- 1.29   0.001% *  0.3491% (0.80   0.02   0.02) =   0.000%
          HB    VAL   42 - HD3   LYS+ 111  19.22 +/- 0.57   0.000% *  0.3872% (0.89   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   LYS+ 111  18.67 +/- 0.65   0.001% *  0.2055% (0.47   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  17.26 +/- 0.43   0.001% *  0.0971% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  33  16.40 +/- 0.45   0.001% *  0.0673% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD3   LYS+ 111  23.21 +/- 0.51   0.000% *  0.3770% (0.86   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD3   LYS+ 111  23.78 +/- 0.83   0.000% *  0.3872% (0.89   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD3   LYS+ 111  24.42 +/- 1.00   0.000% *  0.3695% (0.85   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  19.10 +/- 0.57   0.000% *  0.0870% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    LYS+  33  22.00 +/- 1.43   0.000% *  0.1087% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  22.22 +/- 1.45   0.000% *  0.1087% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   LYS+ 111  22.02 +/- 0.60   0.000% *  0.1086% (0.25   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  20.26 +/- 1.34   0.000% *  0.0603% (0.14   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  33  27.85 +/- 1.40   0.000% *  0.3910% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD3   LYS+ 111  30.74 +/- 0.92   0.000% *  0.3906% (0.90   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   LYS+ 111  31.92 +/- 1.84   0.000% *  0.3128% (0.72   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   LYS+ 111  24.00 +/- 0.81   0.000% *  0.0603% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.09 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 = 4.32, residual support = 156.0:
    * O T QE    LYS+  33 - QD    LYS+  33   2.12 +/- 0.03  99.918% * 96.2766% (1.00   4.32 155.97) = 100.000%  kept
          HB2   ASN   35 - QD    LYS+  33   7.48 +/- 0.69   0.061% *  0.1522% (0.34   0.02   0.50) =   0.000%
          HB2   ASN   28 - QD    LYS+  33   9.70 +/- 0.87   0.013% *  0.4373% (0.98   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  33  11.64 +/- 1.72   0.006% *  0.0688% (0.15   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  33  16.42 +/- 2.10   0.001% *  0.4001% (0.90   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  33  20.38 +/- 0.82   0.000% *  0.3065% (0.69   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  33  16.97 +/- 0.74   0.000% *  0.0993% (0.22   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  33  21.06 +/- 0.82   0.000% *  0.2886% (0.65   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  22.03 +/- 0.88   0.000% *  0.3585% (0.80   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  23.14 +/- 1.01   0.000% *  0.2586% (0.58   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  24.01 +/- 0.99   0.000% *  0.2746% (0.62   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  28.73 +/- 1.28   0.000% *  0.3998% (0.90   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD3   LYS+ 111  22.80 +/- 0.72   0.000% *  0.0890% (0.20   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  30.69 +/- 0.83   0.000% *  0.3919% (0.88   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  29.31 +/- 0.91   0.000% *  0.1364% (0.31   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD3   LYS+ 111  28.77 +/- 0.97   0.000% *  0.0617% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 299 (4.01, 2.92, 42.01 ppm):
    33 chemical-shift based assignments, quality = 0.999, support = 5.72, residual support = 155.9:
    *   T HA    LYS+  33 - QE    LYS+  33   3.20 +/- 0.97  77.174% * 96.3967% (1.00   5.72 155.97) =  99.950%  kept
        T HA    GLU-  29 - QE    LYS+  33   5.85 +/- 1.83   7.406% *  0.3251% (0.97   0.02   0.02) =   0.032%
          HB2   SER   37 - QE    LYS+  33   6.15 +/- 1.43  10.425% *  0.0750% (0.22   0.02   0.02) =   0.011%
        T HA    GLN   32 - QE    LYS+  33   6.07 +/- 1.71   2.246% *  0.0937% (0.28   0.02  13.90) =   0.003%
          HA    VAL   70 - QE    LYS+  33   9.83 +/- 2.00   0.631% *  0.2922% (0.87   0.02   0.02) =   0.002%
          HA    VAL   18 - QE    LYS+  33  11.32 +/- 1.73   0.204% *  0.3187% (0.95   0.02   0.02) =   0.001%
          HA    VAL   18 - QE    LYS+  65   9.23 +/- 1.36   0.311% *  0.1638% (0.49   0.02   0.02) =   0.001%
          HA    SER   48 - HB2   ASP-  76   7.05 +/- 0.52   1.321% *  0.0264% (0.08   0.02   0.02) =   0.000%
          HA    VAL   70 - QE    LYS+  65  12.67 +/- 1.08   0.040% *  0.1502% (0.45   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  65  13.84 +/- 1.16   0.027% *  0.1502% (0.45   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASP-  76  11.43 +/- 0.70   0.078% *  0.0451% (0.13   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  33  17.40 +/- 1.55   0.007% *  0.3021% (0.90   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASP-  76  12.78 +/- 0.50   0.038% *  0.0475% (0.14   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASP-  76  12.99 +/- 0.41   0.035% *  0.0155% (0.05   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QE    LYS+  65  20.01 +/- 1.70   0.002% *  0.1732% (0.51   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  65  18.05 +/- 1.17   0.005% *  0.0911% (0.27   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   ASP-  76  16.54 +/- 0.62   0.008% *  0.0485% (0.14   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  33  22.37 +/- 1.28   0.002% *  0.1772% (0.53   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  33  24.74 +/- 1.68   0.001% *  0.2922% (0.87   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QE    LYS+  65  22.05 +/- 1.66   0.001% *  0.1671% (0.50   0.02   0.02) =   0.000%
          HB2   SER   37 - QE    LYS+  65  18.44 +/- 1.42   0.004% *  0.0386% (0.11   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASP-  76  14.35 +/- 1.07   0.019% *  0.0078% (0.02   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   ASP-  76  20.18 +/- 0.58   0.002% *  0.0502% (0.15   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   ASP-  76  20.15 +/- 0.46   0.002% *  0.0436% (0.13   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  24.34 +/- 1.07   0.001% *  0.1040% (0.31   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  65  26.53 +/- 1.28   0.000% *  0.1553% (0.46   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  19.87 +/- 1.31   0.002% *  0.0267% (0.08   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  22.39 +/- 1.45   0.001% *  0.0481% (0.14   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   ASP-  76  22.88 +/- 0.60   0.001% *  0.0436% (0.13   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB2   ASP-  76  19.45 +/- 0.48   0.003% *  0.0140% (0.04   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  27.39 +/- 1.36   0.000% *  0.0520% (0.15   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  28.26 +/- 0.81   0.000% *  0.0534% (0.16   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   ASP-  76  22.90 +/- 0.73   0.001% *  0.0112% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 300 (1.86, 2.92, 42.01 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 5.64, residual support = 156.0:
    *   T QB    LYS+  33 - QE    LYS+  33   2.90 +/- 0.67  97.792% * 94.9589% (1.00   5.64 155.97) =  99.998%  kept
          HB3   GLN   30 - QE    LYS+  33   6.39 +/- 1.03   1.341% *  0.0840% (0.25   0.02   0.79) =   0.001%
          HG3   PRO   68 - QE    LYS+  65   9.12 +/- 1.71   0.335% *  0.1599% (0.47   0.02   0.02) =   0.001%
          HB3   LYS+  38 - QE    LYS+  33  10.81 +/- 0.86   0.069% *  0.1385% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP-  76   9.11 +/- 0.26   0.178% *  0.0485% (0.14   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+  33  15.17 +/- 2.34   0.013% *  0.3111% (0.92   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  65  13.87 +/- 1.33   0.018% *  0.1672% (0.50   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP-  76  11.90 +/- 0.59   0.038% *  0.0498% (0.15   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QE    LYS+  65  16.23 +/- 1.64   0.008% *  0.1732% (0.51   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  65  12.53 +/- 1.11   0.027% *  0.0432% (0.13   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP-  76  13.45 +/- 1.22   0.023% *  0.0485% (0.14   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  65  14.82 +/- 0.87   0.010% *  0.0981% (0.29   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  33  17.68 +/- 0.83   0.003% *  0.3187% (0.95   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  33  17.92 +/- 0.91   0.003% *  0.3187% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  33  18.72 +/- 1.23   0.003% *  0.3252% (0.97   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  33  18.53 +/- 1.29   0.002% *  0.3303% (0.98   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  65  17.19 +/- 0.56   0.004% *  0.1698% (0.50   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  65  18.02 +/- 0.42   0.003% *  0.1639% (0.49   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ASP-  76  11.76 +/- 1.87   0.057% *  0.0078% (0.02   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP-  76  14.31 +/- 0.57   0.012% *  0.0285% (0.08   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP-  76  12.70 +/- 0.62   0.026% *  0.0125% (0.04   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB2   ASP-  76  16.12 +/- 0.55   0.006% *  0.0503% (0.15   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   ASP-  76  16.63 +/- 0.43   0.005% *  0.0475% (0.14   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+  65  17.41 +/- 1.48   0.004% *  0.0432% (0.13   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  33  24.51 +/- 1.58   0.000% *  0.3252% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  65  21.20 +/- 1.64   0.002% *  0.0712% (0.21   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  65  22.59 +/- 0.57   0.001% *  0.1639% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  65  18.26 +/- 0.94   0.003% *  0.0432% (0.13   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  33  23.11 +/- 1.36   0.001% *  0.1908% (0.57   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  33  25.67 +/- 0.97   0.000% *  0.3340% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  15.19 +/- 0.62   0.008% *  0.0125% (0.04   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  65  24.14 +/- 0.91   0.001% *  0.1672% (0.50   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  65  25.37 +/- 0.88   0.000% *  0.1717% (0.51   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  33  22.35 +/- 1.98   0.001% *  0.0840% (0.25   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   ASP-  76  21.09 +/- 0.57   0.001% *  0.0493% (0.15   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   ASP-  76  21.51 +/- 0.51   0.001% *  0.0475% (0.14   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  33  22.66 +/- 1.94   0.001% *  0.0520% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  65  21.50 +/- 0.71   0.001% *  0.0267% (0.08   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  33  26.33 +/- 1.44   0.000% *  0.0840% (0.25   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP-  76  24.55 +/- 0.63   0.000% *  0.0464% (0.14   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP-  76  25.37 +/- 1.19   0.000% *  0.0207% (0.06   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  26.17 +/- 0.70   0.000% *  0.0125% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.88 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 = 0.899, support = 4.6, residual support = 156.9:
    * O T HG3   LYS+  33 - QE    LYS+  33   2.53 +/- 0.54  63.604% * 65.5209% (1.00   4.68 155.97) =  79.407%  kept
      O T HG3   LYS+  65 - QE    LYS+  65   2.90 +/- 0.60  35.312% * 30.6052% (0.51   4.29 160.36) =  20.592%  kept
          HB3   LEU   73 - QE    LYS+  33   9.71 +/- 1.11   0.063% *  0.2702% (0.97   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  33  12.73 +/- 2.99   0.019% *  0.2242% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   ASP-  76   6.50 +/- 0.61   0.330% *  0.0116% (0.04   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  33  12.45 +/- 1.46   0.010% *  0.2775% (0.99   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  65  12.47 +/- 2.59   0.022% *  0.1153% (0.41   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  76   6.71 +/- 0.26   0.224% *  0.0093% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   6.37 +/- 0.58   0.321% *  0.0064% (0.02   0.02   0.83) =   0.000%
          QB    LEU   98 - QE    LYS+  33  11.39 +/- 0.63   0.012% *  0.1473% (0.53   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB2   ASP-  76   9.50 +/- 0.47   0.033% *  0.0403% (0.14   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  65  12.07 +/- 0.73   0.006% *  0.1427% (0.51   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  33  13.76 +/- 1.37   0.007% *  0.0779% (0.28   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  33  17.10 +/- 2.39   0.002% *  0.2775% (0.99   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  33  12.53 +/- 1.43   0.009% *  0.0432% (0.15   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  33  17.00 +/- 1.12   0.001% *  0.2649% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  65  14.82 +/- 1.29   0.002% *  0.1389% (0.50   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  33  18.19 +/- 1.15   0.001% *  0.2242% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  65  12.89 +/- 1.14   0.004% *  0.0400% (0.14   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  65  17.24 +/- 1.29   0.001% *  0.1291% (0.46   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  65  18.49 +/- 1.94   0.001% *  0.1439% (0.51   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   ASP-  76  15.47 +/- 0.77   0.002% *  0.0414% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  33  16.30 +/- 1.13   0.002% *  0.0432% (0.15   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  33  17.17 +/- 0.88   0.001% *  0.0623% (0.22   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  65  17.59 +/- 0.59   0.001% *  0.0757% (0.27   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  76  12.63 +/- 1.01   0.005% *  0.0104% (0.04   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  65  19.57 +/- 0.72   0.000% *  0.1153% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  65  16.64 +/- 0.80   0.001% *  0.0359% (0.13   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  65  17.79 +/- 0.76   0.001% *  0.0359% (0.13   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB2   ASP-  76  18.29 +/- 1.18   0.001% *  0.0418% (0.15   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   ASP-  76  16.82 +/- 0.55   0.001% *  0.0220% (0.08   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   ASP-  76  18.67 +/- 0.70   0.001% *  0.0414% (0.15   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   ASP-  76  18.39 +/- 1.02   0.001% *  0.0334% (0.12   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  33  22.01 +/- 1.55   0.000% *  0.0698% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  33  22.30 +/- 1.46   0.000% *  0.0698% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  33  28.00 +/- 1.50   0.000% *  0.2511% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  65  24.94 +/- 0.90   0.000% *  0.1362% (0.49   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  65  18.52 +/- 1.14   0.001% *  0.0222% (0.08   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  76  21.16 +/- 0.67   0.000% *  0.0375% (0.13   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  65  20.44 +/- 0.72   0.000% *  0.0320% (0.11   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   ASP-  76  21.13 +/- 2.31   0.000% *  0.0334% (0.12   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  76  17.48 +/- 1.21   0.001% *  0.0064% (0.02   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  65  22.15 +/- 1.13   0.000% *  0.0222% (0.08   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   ASP-  76  26.09 +/- 0.94   0.000% *  0.0395% (0.14   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   ASP-  76  24.54 +/- 0.97   0.000% *  0.0104% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 4.32, residual support = 156.0:
    * O T QD    LYS+  33 - QE    LYS+  33   2.12 +/- 0.03  99.903% * 97.0622% (1.00   4.32 155.97) = 100.000%  kept
          QB    ALA   57 - QE    LYS+  65   9.07 +/- 0.78   0.019% *  0.2006% (0.45   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   ASP-  76   7.62 +/- 0.82   0.062% *  0.0380% (0.08   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   ASP-  76  10.54 +/- 0.51   0.007% *  0.0582% (0.13   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  12.40 +/- 0.97   0.003% *  0.1309% (0.29   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  65  14.16 +/- 1.11   0.001% *  0.2312% (0.51   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  15.55 +/- 1.31   0.001% *  0.2546% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+  65  16.42 +/- 2.10   0.001% *  0.2312% (0.51   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  17.94 +/- 1.25   0.000% *  0.3902% (0.87   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  65  14.40 +/- 1.00   0.001% *  0.0458% (0.10   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  33  23.41 +/- 1.91   0.000% *  0.4498% (1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   ASP-  76  16.97 +/- 0.74   0.000% *  0.0671% (0.15   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  22.03 +/- 0.88   0.000% *  0.2074% (0.46   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   ASP-  76  14.50 +/- 1.18   0.001% *  0.0133% (0.03   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  28.73 +/- 1.28   0.000% *  0.4034% (0.90   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   ASP-  76  22.80 +/- 0.72   0.000% *  0.0602% (0.13   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  33  25.57 +/- 1.34   0.000% *  0.0890% (0.20   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   ASP-  76  28.53 +/- 0.66   0.000% *  0.0671% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 24.3:
    * O T QB    ALA   34 - HA    ALA   34   2.13 +/- 0.02  94.149% * 95.6714% (0.80   1.93  24.30) =  99.979%  kept
          QG2   THR   39 - HA    ALA   34   4.46 +/- 0.99   5.463% *  0.3069% (0.25   0.02   3.42) =   0.019%
          HG3   LYS+  38 - HA    ALA   34   6.70 +/- 0.79   0.385% *  0.5807% (0.47   0.02   0.02) =   0.002%
          QG2   THR   23 - HA    ALA   34  16.20 +/- 0.37   0.000% *  1.0940% (0.89   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA   34  17.41 +/- 0.54   0.000% *  0.8015% (0.65   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA   34  17.58 +/- 0.38   0.000% *  0.2457% (0.20   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ALA  124  15.10 +/- 0.72   0.001% *  0.0704% (0.06   0.02   0.02) =   0.000%
        T QB    ALA   34 - HA    ALA  124  18.39 +/- 0.68   0.000% *  0.2272% (0.18   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA  124  17.78 +/- 0.57   0.000% *  0.1840% (0.15   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA   34  21.50 +/- 0.99   0.000% *  0.3069% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA  124  23.11 +/- 0.87   0.000% *  0.1333% (0.11   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA  124  30.43 +/- 0.51   0.000% *  0.2511% (0.20   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA  124  23.80 +/- 0.51   0.000% *  0.0564% (0.05   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA  124  25.35 +/- 0.89   0.000% *  0.0704% (0.06   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 24.3:
    * O T HA    ALA   34 - QB    ALA   34   2.13 +/- 0.02  99.606% * 94.3172% (0.80   1.93  24.30) =  99.997%  kept
          HA1   GLY  101 - QB    ALA   34   6.45 +/- 1.20   0.215% *  0.7901% (0.65   0.02   0.02) =   0.002%
          HA    ASN   28 - QB    ALA   34   7.17 +/- 0.21   0.069% *  1.0785% (0.89   0.02   0.02) =   0.001%
          HA    GLU-  36 - QB    ALA   34   6.73 +/- 0.05   0.100% *  0.1679% (0.14   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   34  10.06 +/- 0.36   0.009% *  0.2713% (0.22   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   34  16.37 +/- 0.40   0.000% *  1.0666% (0.88   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   34  18.39 +/- 0.68   0.000% *  0.6600% (0.54   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   34  19.45 +/- 0.56   0.000% *  0.7901% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   34  19.50 +/- 0.52   0.000% *  0.6160% (0.51   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA   34  17.75 +/- 0.34   0.000% *  0.2423% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 308 (1.28, 1.28, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   34 - QB    ALA   34  (0.80)  kept
 
    Peak 309 (4.38, 4.38, 56.42 ppm):
    3 diagonal assignments:
    *     HA    ASN   35 - HA    ASN   35  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.14)  kept
          HA    GLU-  15 - HA    GLU-  15  (0.04)  kept
 
    Peak 310 (2.95, 4.38, 56.42 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.03, residual support = 54.2:
    * O T HB2   ASN   35 - HA    ASN   35   2.78 +/- 0.06  99.368% * 97.7459% (1.00   4.03  54.22) =  99.999%  kept
          QE    LYS+  33 - HA    ASN   35   7.99 +/- 0.83   0.232% *  0.1656% (0.34   0.02   0.50) =   0.000%
        T HB2   ASN   35 - HA    LEU   40   9.46 +/- 0.61   0.072% *  0.1821% (0.37   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  15   9.82 +/- 2.00   0.138% *  0.0546% (0.11   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    GLU-  15  10.34 +/- 2.19   0.099% *  0.0307% (0.06   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    ASN   35  12.42 +/- 0.40   0.013% *  0.2177% (0.45   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    LEU   40  10.99 +/- 1.32   0.034% *  0.0621% (0.13   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    LEU   40  11.76 +/- 0.55   0.019% *  0.0246% (0.05   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    ASN   35  14.76 +/- 0.81   0.005% *  0.0657% (0.14   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    LEU   40  16.62 +/- 0.75   0.002% *  0.1104% (0.23   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   35  20.72 +/- 0.90   0.001% *  0.4056% (0.84   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    GLU-  15  17.11 +/- 1.42   0.002% *  0.0900% (0.19   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    LEU   40  14.85 +/- 0.26   0.004% *  0.0454% (0.09   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LEU   40  16.77 +/- 0.43   0.002% *  0.0816% (0.17   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   35  21.39 +/- 1.25   0.001% *  0.2945% (0.61   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    GLU-  15  14.07 +/- 1.04   0.007% *  0.0224% (0.05   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    ASN   35  20.04 +/- 0.45   0.001% *  0.1211% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LEU   40  22.15 +/- 0.39   0.000% *  0.1521% (0.31   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    GLU-  15  18.48 +/- 0.98   0.001% *  0.0404% (0.08   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  15  27.25 +/- 0.77   0.000% *  0.0752% (0.15   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    GLU-  15  21.62 +/- 1.22   0.000% *  0.0122% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 312 (2.95, 2.95, 38.12 ppm):
    2 diagonal assignments:
    *     HB2   ASN   35 - HB2   ASN   35  (1.00)  kept
          HB2   ASN   28 - HB2   ASN   28  (0.14)  kept
 
    Peak 313 (4.10, 4.10, 58.69 ppm):
    1 diagonal assignment:
    *     HA    GLU-  36 - HA    GLU-  36  (1.00)  kept
 
    Peak 314 (2.15, 4.10, 58.69 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 82.8:
    * O T QB    GLU-  36 - HA    GLU-  36   2.35 +/- 0.19  99.978% * 98.7011% (1.00   4.87  82.76) = 100.000%  kept
        T HB3   GLU-  29 - HA    GLU-  36  12.05 +/- 0.50   0.006% *  0.3513% (0.87   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  36  10.82 +/- 0.81   0.013% *  0.0709% (0.18   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  36  13.24 +/- 0.52   0.003% *  0.1971% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  36  23.86 +/- 0.38   0.000% *  0.4014% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  36  32.28 +/- 0.69   0.000% *  0.2782% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 316 (2.46, 4.10, 58.69 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 82.8:
    * O T HG2   GLU-  36 - HA    GLU-  36   2.99 +/- 0.89  99.991% * 99.0288% (1.00   3.31  82.76) = 100.000%  kept
          HG3   MET   96 - HA    GLU-  36  16.95 +/- 0.60   0.008% *  0.5519% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  36  26.98 +/- 0.62   0.000% *  0.3146% (0.53   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  36  24.04 +/- 0.74   0.001% *  0.1047% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 317 (2.31, 4.10, 58.69 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 82.8:
    * O T HG3   GLU-  36 - HA    GLU-  36   3.46 +/- 0.10  99.989% * 97.3968% (1.00   3.31  82.76) = 100.000%  kept
          HG3   GLU-  25 - HA    GLU-  36  18.47 +/- 0.28   0.004% *  0.2636% (0.45   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  36  20.78 +/- 4.00   0.005% *  0.2207% (0.38   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  36  24.97 +/- 0.56   0.001% *  0.5675% (0.97   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  36  25.50 +/- 0.47   0.001% *  0.5829% (0.99   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  36  30.15 +/- 1.22   0.000% *  0.5881% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  36  34.77 +/- 0.99   0.000% *  0.3804% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 328 (4.10, 2.46, 36.40 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 82.8:
    * O T HA    GLU-  36 - HG2   GLU-  36   2.99 +/- 0.89  99.997% * 98.5858% (1.00   3.31  82.76) = 100.000%  kept
          HA    LYS+  81 - HG2   GLU-  36  25.97 +/- 0.78   0.001% *  0.5835% (0.98   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   GLU-  36  22.75 +/- 1.76   0.002% *  0.1325% (0.22   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   GLU-  36  27.55 +/- 1.17   0.000% *  0.3851% (0.65   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   GLU-  36  30.55 +/- 1.80   0.000% *  0.3132% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 4.29, residual support = 82.8:
    * O T QB    GLU-  36 - HG2   GLU-  36   2.47 +/- 0.08  99.962% * 98.5264% (1.00   4.29  82.76) = 100.000%  kept
        T HB3   GLU-  29 - HG2   GLU-  36  10.45 +/- 1.28   0.021% *  0.3985% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   GLU-  36  11.87 +/- 1.06   0.009% *  0.2236% (0.49   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG2   GLU-  36  12.32 +/- 0.84   0.007% *  0.0805% (0.18   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  36  22.87 +/- 1.19   0.000% *  0.4554% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  36  31.85 +/- 1.11   0.000% *  0.3156% (0.69   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (2.46, 2.46, 36.40 ppm):
    1 diagonal assignment:
    *     HG2   GLU-  36 - HG2   GLU-  36  (1.00)  kept
 
    Peak 332 (2.31, 2.46, 36.40 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 82.8:
    * O T HG3   GLU-  36 - HG2   GLU-  36   1.75 +/- 0.00 100.000% * 97.1334% (1.00   3.00  82.76) = 100.000%  kept
        T QB    MET   11 - HG2   GLU-  36  19.34 +/- 4.18   0.000% *  0.2430% (0.38   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   GLU-  36  17.28 +/- 0.50   0.000% *  0.2903% (0.45   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   GLU-  36  23.96 +/- 1.42   0.000% *  0.6249% (0.97   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  36  25.76 +/- 1.10   0.000% *  0.6418% (0.99   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  36  29.98 +/- 1.47   0.000% *  0.6476% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  36  34.39 +/- 1.81   0.000% *  0.4189% (0.65   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 333 (4.10, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 82.8:
    * O T HA    GLU-  36 - HG3   GLU-  36   3.46 +/- 0.10  99.986% * 98.3396% (1.00   3.31  82.76) = 100.000%  kept
        T HA    GLU-  36 - QB    MET   11  20.78 +/- 4.00   0.005% *  0.0740% (0.12   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   GLU-  36  26.56 +/- 0.60   0.000% *  0.5820% (0.98   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG3   GLU-  36  23.22 +/- 1.55   0.001% *  0.1322% (0.22   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   GLU-  36  28.19 +/- 1.40   0.000% *  0.3841% (0.65   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    MET   11  18.98 +/- 2.39   0.005% *  0.0165% (0.03   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG3   GLU-  36  31.23 +/- 1.04   0.000% *  0.3124% (0.53   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    MET   11  27.45 +/- 3.02   0.001% *  0.0389% (0.07   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    MET   11  28.76 +/- 2.89   0.000% *  0.0479% (0.08   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    MET   11  31.37 +/- 2.64   0.000% *  0.0725% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 4.29, residual support = 82.8:
    * O   QB    GLU-  36 - HG3   GLU-  36   2.30 +/- 0.11  99.976% * 98.2897% (1.00   4.29  82.76) = 100.000%  kept
          HB3   GLU-  29 - HG3   GLU-  36  10.58 +/- 0.59   0.011% *  0.3976% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   GLU-  36  11.98 +/- 0.80   0.005% *  0.2231% (0.49   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG3   GLU-  36  13.01 +/- 1.09   0.004% *  0.0803% (0.18   0.02   0.02) =   0.000%
          QB    GLU-  36 - QB    MET   11  17.24 +/- 3.53   0.002% *  0.0571% (0.12   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG3   GLU-  36  23.43 +/- 0.36   0.000% *  0.4543% (0.99   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QB    MET   11  18.69 +/- 2.72   0.001% *  0.0495% (0.11   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QB    MET   11  20.90 +/- 2.88   0.000% *  0.0278% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   GLU-  36  32.58 +/- 0.67   0.000% *  0.3148% (0.69   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - QB    MET   11  26.25 +/- 2.62   0.000% *  0.0566% (0.12   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QB    MET   11  24.30 +/- 3.46   0.000% *  0.0100% (0.02   0.02   0.02) =   0.000%
        T HB2   GLN   90 - QB    MET   11  35.19 +/- 2.50   0.000% *  0.0392% (0.09   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 = 82.8:
    * O T HG2   GLU-  36 - HG3   GLU-  36   1.75 +/- 0.00 100.000% * 98.7158% (1.00   3.00  82.76) = 100.000%  kept
          HG3   MET   96 - HG3   GLU-  36  18.34 +/- 0.76   0.000% *  0.6075% (0.92   0.02   0.02) =   0.000%
        T HG2   GLU-  36 - QB    MET   11  19.34 +/- 4.18   0.000% *  0.0820% (0.12   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  36  27.09 +/- 1.54   0.000% *  0.3462% (0.53   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  36  24.63 +/- 1.19   0.000% *  0.1153% (0.18   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    MET   11  23.21 +/- 2.44   0.000% *  0.0431% (0.07   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    MET   11  27.03 +/- 2.23   0.000% *  0.0757% (0.12   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    MET   11  33.37 +/- 2.17   0.000% *  0.0144% (0.02   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 = 2.31, residual support = 25.1:
    * O T HB2   SER   37 - HA    SER   37   2.52 +/- 0.05  99.270% * 94.5539% (1.00   2.31  25.11) =  99.998%  kept
          HA    LYS+  33 - HA    SER   37   5.84 +/- 0.32   0.664% *  0.1822% (0.22   0.02   0.02) =   0.001%
          HA    VAL   70 - HA    SER   37   9.65 +/- 0.44   0.033% *  0.3983% (0.49   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   13  10.51 +/- 0.87   0.022% *  0.3653% (0.45   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   37  15.95 +/- 1.34   0.002% *  0.6836% (0.84   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    SER   13  15.93 +/- 2.51   0.003% *  0.4373% (0.53   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   13  15.51 +/- 1.61   0.002% *  0.2129% (0.26   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    THR   46  16.74 +/- 0.46   0.001% *  0.3947% (0.48   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    THR   46  19.92 +/- 0.51   0.000% *  0.6773% (0.83   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   13  16.55 +/- 2.60   0.002% *  0.0974% (0.12   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    THR   46  20.13 +/- 0.31   0.000% *  0.3947% (0.48   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    THR   46  24.80 +/- 0.44   0.000% *  0.8109% (0.99   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    THR   46  23.43 +/- 0.39   0.000% *  0.1805% (0.22   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   37  27.43 +/- 0.64   0.000% *  0.3983% (0.49   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   13  28.85 +/- 1.26   0.000% *  0.2129% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.85 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 = 0.539, support = 2.08, residual support = 14.6:
      O T QB    SER   13 - HA    SER   13   2.36 +/- 0.16  81.187% * 23.9149% (0.35   1.93   7.75) =  60.585%  kept
    * O T HB3   SER   37 - HA    SER   37   3.05 +/- 0.01  18.282% * 69.0799% (0.84   2.31  25.11) =  39.407%  kept
          HB    THR   39 - HA    SER   37   5.67 +/- 0.56   0.503% *  0.4917% (0.69   0.02   3.48) =   0.008%
          HA    ILE   89 - HA    THR   46   9.70 +/- 0.55   0.020% *  0.5924% (0.83   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    SER   37  15.32 +/- 2.79   0.003% *  0.4631% (0.65   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.60 +/- 0.24   0.002% *  0.7077% (0.99   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    SER   13  16.50 +/- 2.43   0.001% *  0.3195% (0.45   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  16.73 +/- 2.19   0.001% *  0.2627% (0.37   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  15.64 +/- 0.28   0.001% *  0.2419% (0.34   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  22.14 +/- 0.82   0.000% *  0.4872% (0.68   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  23.89 +/- 0.54   0.000% *  0.7142% (1.00   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  23.58 +/- 0.42   0.000% *  0.5924% (0.83   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  24.03 +/- 0.88   0.000% *  0.4588% (0.64   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  24.23 +/- 0.53   0.000% *  0.2442% (0.34   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  29.47 +/- 1.19   0.000% *  0.5979% (0.84   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  27.95 +/- 0.92   0.000% *  0.3816% (0.53   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  28.81 +/- 1.74   0.000% *  0.1305% (0.18   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  33.59 +/- 1.34   0.000% *  0.3195% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 341 (4.42, 4.03, 64.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 25.1:
    * O T HA    SER   37 - HB2   SER   37   2.52 +/- 0.05  99.912% * 96.1460% (1.00   2.31  25.11) = 100.000%  kept
          HA    LEU   40 - HB2   SER   37   8.66 +/- 0.87   0.071% *  0.3123% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   SER   37  12.57 +/- 1.42   0.009% *  0.4711% (0.57   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   SER   37  13.32 +/- 0.50   0.005% *  0.5047% (0.61   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   SER   37  15.87 +/- 0.87   0.002% *  0.8321% (1.00   0.02   0.02) =   0.000%
        T HA    SER   13 - HB2   SER   37  15.93 +/- 2.51   0.003% *  0.4711% (0.57   0.02   0.02) =   0.000%
        T HA    THR   46 - HB2   SER   37  24.80 +/- 0.44   0.000% *  0.8248% (0.99   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   SER   37  24.16 +/- 0.52   0.000% *  0.4378% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (4.03, 4.03, 64.19 ppm):
    1 diagonal assignment:
    *     HB2   SER   37 - HB2   SER   37  (1.00)  kept
 
    Peak 343 (3.88, 4.03, 64.19 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 25.1:
    * O T HB3   SER   37 - HB2   SER   37   1.75 +/- 0.00  98.449% * 95.9695% (0.84   2.00  25.11) =  99.987%  kept
          HB    THR   39 - HB2   SER   37   4.13 +/- 1.25   1.550% *  0.7892% (0.69   0.02   3.48) =   0.013%
        T QB    SER   13 - HB2   SER   37  13.77 +/- 2.62   0.001% *  0.7433% (0.65   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   37  22.41 +/- 0.83   0.000% *  1.1464% (1.00   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   SER   37  23.39 +/- 0.65   0.000% *  0.3919% (0.34   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   37  28.31 +/- 1.26   0.000% *  0.9597% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.59 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 = 0.543, support = 2.08, residual support = 14.4:
      O T HA    SER   13 - QB    SER   13   2.36 +/- 0.16  81.342% * 25.2368% (0.36   1.93   7.75) =  61.676%  kept
    * O T HA    SER   37 - HB3   SER   37   3.05 +/- 0.01  18.317% * 69.6357% (0.84   2.31  25.11) =  38.322%  kept
          HA    GLU-  15 - QB    SER   13   6.51 +/- 0.56   0.227% *  0.2611% (0.36   0.02   0.02) =   0.002%
          HA    LEU   40 - HB3   SER   37   7.56 +/- 0.61   0.085% *  0.2262% (0.31   0.02   0.02) =   0.001%
          HA    GLN   17 - QB    SER   13  10.82 +/- 1.01   0.013% *  0.4612% (0.64   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   SER   37  12.07 +/- 0.36   0.005% *  0.3656% (0.51   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37  12.58 +/- 1.46   0.005% *  0.3412% (0.47   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  15.32 +/- 2.79   0.003% *  0.4612% (0.64   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  15.47 +/- 0.81   0.001% *  0.6027% (0.84   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  16.50 +/- 2.43   0.001% *  0.3412% (0.47   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    SER   13  18.59 +/- 1.17   0.000% *  0.2797% (0.39   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  17.89 +/- 1.83   0.001% *  0.1731% (0.24   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  19.82 +/- 1.80   0.000% *  0.2427% (0.34   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  23.58 +/- 0.42   0.000% *  0.5974% (0.83   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  24.03 +/- 0.88   0.000% *  0.4571% (0.63   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  23.42 +/- 0.42   0.000% *  0.3171% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 345 (4.03, 3.88, 64.19 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 25.1:
    * O T HB2   SER   37 - HB3   SER   37   1.75 +/- 0.00  99.732% * 95.8303% (0.84   2.00  25.11) =  99.999%  kept
          HA    LYS+  33 - HB3   SER   37   4.88 +/- 0.33   0.235% *  0.2134% (0.19   0.02   0.02) =   0.001%
        T HA    VAL   70 - HB3   SER   37   7.24 +/- 0.34   0.021% *  0.4665% (0.41   0.02   0.02) =   0.000%
          HA1   GLY   16 - QB    SER   13   9.02 +/- 1.05   0.008% *  0.6125% (0.53   0.02   0.02) =   0.000%
        T HB2   SER   37 - QB    SER   13  13.77 +/- 2.62   0.001% *  0.7333% (0.64   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB3   SER   37  13.62 +/- 1.32   0.001% *  0.8004% (0.70   0.02   0.02) =   0.000%
        T HA    VAL   70 - QB    SER   13  13.34 +/- 1.60   0.001% *  0.3569% (0.31   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    SER   13  14.48 +/- 2.87   0.001% *  0.1633% (0.14   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   37  24.93 +/- 0.63   0.000% *  0.4665% (0.41   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    SER   13  25.30 +/- 1.58   0.000% *  0.3569% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.58 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 = 6.31, residual support = 215.1:
    * O T HB2   LYS+  38 - HA    LYS+  38   3.00 +/- 0.13  90.338% * 99.1873% (1.00   6.31 215.13) =  99.998%  kept
        T HB2   LYS+  38 - HA    GLU- 100   4.82 +/- 1.18   9.591% *  0.0190% (0.06   0.02   0.02) =   0.002%
          HB    VAL   70 - HA    LYS+  38  11.66 +/- 0.80   0.035% *  0.0622% (0.20   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    LYS+  38  16.01 +/- 0.46   0.004% *  0.2282% (0.73   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  38  14.53 +/- 0.37   0.007% *  0.1072% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  17.36 +/- 1.52   0.003% *  0.0784% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  20.58 +/- 0.44   0.001% *  0.1072% (0.34   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  12.95 +/- 0.43   0.015% *  0.0038% (0.01   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU- 100  18.27 +/- 0.74   0.002% *  0.0138% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU- 100  17.08 +/- 0.79   0.003% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  38  30.51 +/- 0.76   0.000% *  0.1653% (0.53   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  19.40 +/- 1.10   0.001% *  0.0047% (0.02   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  22.51 +/- 0.79   0.001% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU- 100  30.63 +/- 0.76   0.000% *  0.0100% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 349 (1.88, 3.78, 58.04 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 215.1:
    * O T HB3   LYS+  38 - HA    LYS+  38   2.50 +/- 0.13  71.289% * 97.5779% (1.00   5.62 215.13) =  99.991%  kept
        T HB3   LYS+  38 - HA    GLU- 100   3.46 +/- 1.67  28.587% *  0.0210% (0.06   0.02   0.02) =   0.009%
          QB    LYS+  33 - HA    LYS+  38   8.15 +/- 0.47   0.077% *  0.1427% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  38  12.03 +/- 0.43   0.007% *  0.3284% (0.95   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  38  13.12 +/- 1.25   0.004% *  0.0866% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  38  15.93 +/- 0.74   0.001% *  0.2106% (0.61   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  38  15.09 +/- 0.61   0.002% *  0.1072% (0.31   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  38  16.32 +/- 1.49   0.001% *  0.0773% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLU- 100  10.78 +/- 0.70   0.012% *  0.0086% (0.02   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU- 100  10.81 +/- 0.18   0.012% *  0.0052% (0.02   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU- 100  14.14 +/- 0.64   0.002% *  0.0198% (0.06   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU- 100  14.56 +/- 0.26   0.002% *  0.0127% (0.04   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  38  25.55 +/- 0.55   0.000% *  0.3350% (0.97   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  38  25.11 +/- 1.37   0.000% *  0.2900% (0.84   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU- 100  13.67 +/- 0.15   0.003% *  0.0065% (0.02   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+  38  24.76 +/- 0.41   0.000% *  0.1965% (0.57   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    LYS+  38  26.10 +/- 0.66   0.000% *  0.2246% (0.65   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  38  30.08 +/- 0.83   0.000% *  0.1690% (0.49   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  38  29.82 +/- 1.09   0.000% *  0.0965% (0.28   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU- 100  17.94 +/- 1.22   0.001% *  0.0047% (0.01   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU- 100  24.75 +/- 1.17   0.000% *  0.0175% (0.05   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU- 100  25.55 +/- 0.47   0.000% *  0.0202% (0.06   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLU- 100  25.52 +/- 0.62   0.000% *  0.0119% (0.03   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    GLU- 100  26.57 +/- 0.31   0.000% *  0.0136% (0.04   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU- 100  30.07 +/- 0.79   0.000% *  0.0102% (0.03   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU- 100  30.65 +/- 0.78   0.000% *  0.0058% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (1.32, 3.78, 58.04 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.63, residual support = 215.1:
    * O T HG2   LYS+  38 - HA    LYS+  38   2.60 +/- 0.31  86.983% * 98.2463% (1.00   6.63 215.13) =  99.993%  kept
        T HG2   LYS+  99 - HA    LYS+  38   5.64 +/- 0.84   1.374% *  0.2905% (0.98   0.02   0.02) =   0.005%
        T HG2   LYS+  38 - HA    GLU- 100   4.80 +/- 1.76   7.138% *  0.0179% (0.06   0.02   0.02) =   0.001%
        T HG2   LYS+  99 - HA    GLU- 100   4.47 +/- 0.23   4.181% *  0.0176% (0.06   0.02  40.14) =   0.001%
          HB2   LEU   31 - HA    LYS+  38  10.57 +/- 0.56   0.026% *  0.2152% (0.73   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  38   9.20 +/- 1.63   0.105% *  0.0457% (0.15   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU- 100   8.50 +/- 1.19   0.173% *  0.0028% (0.01   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    GLU- 100  12.03 +/- 0.84   0.012% *  0.0130% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  38  17.79 +/- 0.77   0.001% *  0.1329% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  38  18.16 +/- 0.38   0.001% *  0.1011% (0.34   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  38  19.84 +/- 0.44   0.001% *  0.1329% (0.45   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  38  18.30 +/- 1.34   0.001% *  0.0660% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  38  21.36 +/- 0.50   0.000% *  0.1678% (0.57   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  38  25.19 +/- 0.98   0.000% *  0.2475% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  38  27.19 +/- 0.58   0.000% *  0.2373% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU- 100  18.35 +/- 0.37   0.001% *  0.0080% (0.03   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU- 100  17.26 +/- 1.22   0.001% *  0.0040% (0.01   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    GLU- 100  18.57 +/- 0.39   0.001% *  0.0061% (0.02   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    GLU- 100  20.04 +/- 0.38   0.001% *  0.0080% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    GLU- 100  22.38 +/- 0.58   0.000% *  0.0101% (0.03   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    GLU- 100  24.96 +/- 0.81   0.000% *  0.0150% (0.05   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU- 100  26.04 +/- 0.41   0.000% *  0.0143% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 351 (1.26, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.51, residual support = 215.0:
    * O T HG3   LYS+  38 - HA    LYS+  38   3.10 +/- 0.54  71.162% * 98.1967% (1.00   6.51 215.13) =  99.959%  kept
          QB    ALA   34 - HA    LYS+  38   4.83 +/- 0.29   6.617% *  0.2416% (0.80   0.02   0.02) =   0.023%
          QG2   THR   39 - HA    LYS+  38   5.81 +/- 0.51   2.510% *  0.2706% (0.90   0.02  30.30) =   0.010%
        T HG3   LYS+  99 - HA    LYS+  38   6.08 +/- 1.17   2.745% *  0.1132% (0.38   0.02   0.02) =   0.004%
        T HG3   LYS+  38 - HA    GLU- 100   5.15 +/- 1.83   7.357% *  0.0182% (0.06   0.02   0.02) =   0.002%
          QG2   THR   39 - HA    GLU- 100   7.12 +/- 0.93   2.785% *  0.0163% (0.05   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HA    GLU- 100   4.92 +/- 0.19   5.545% *  0.0068% (0.02   0.02  40.14) =   0.001%
          QB    ALA   34 - HA    GLU- 100   6.53 +/- 0.56   1.126% *  0.0146% (0.05   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+  38   9.92 +/- 1.06   0.110% *  0.0931% (0.31   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  38  15.20 +/- 1.09   0.007% *  0.1708% (0.57   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  38  19.52 +/- 0.58   0.001% *  0.2854% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    LYS+  38  19.53 +/- 0.20   0.001% *  0.1353% (0.45   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  38  23.48 +/- 1.46   0.001% *  0.2706% (0.90   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    GLU- 100  12.48 +/- 0.99   0.024% *  0.0056% (0.02   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  38  20.41 +/- 0.74   0.001% *  0.1029% (0.34   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    GLU- 100  17.69 +/- 1.20   0.003% *  0.0103% (0.03   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    GLU- 100  19.64 +/- 0.52   0.001% *  0.0172% (0.06   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    GLU- 100  23.43 +/- 1.68   0.001% *  0.0163% (0.05   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    GLU- 100  21.02 +/- 0.49   0.001% *  0.0082% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    GLU- 100  21.57 +/- 0.72   0.001% *  0.0062% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.06 A, kept.
 
    Peak 352 (1.67, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 215.1:
    *   T QD    LYS+  38 - HA    LYS+  38   3.63 +/- 0.20  49.714% * 97.9429% (1.00   5.74 215.13) =  99.978%  kept
        T QD    LYS+  38 - HA    GLU- 100   3.96 +/- 1.58  49.469% *  0.0206% (0.06   0.02   0.02) =   0.021%
          QD    LYS+ 102 - HA    LYS+  38  10.29 +/- 1.40   0.114% *  0.2731% (0.80   0.02   0.02) =   0.001%
          QD    LYS+ 102 - HA    GLU- 100   7.52 +/- 0.37   0.683% *  0.0165% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  38  18.49 +/- 0.98   0.003% *  0.3059% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+  38  20.38 +/- 1.20   0.002% *  0.3148% (0.92   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    LYS+  38  21.02 +/- 0.56   0.001% *  0.3291% (0.97   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+  38  21.18 +/- 0.93   0.001% *  0.1931% (0.57   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    LYS+  38  19.79 +/- 0.59   0.002% *  0.1163% (0.34   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    GLU- 100  17.31 +/- 0.56   0.004% *  0.0185% (0.05   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  38  26.99 +/- 0.63   0.000% *  0.2069% (0.61   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  38  25.00 +/- 1.06   0.000% *  0.0759% (0.22   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    GLU- 100  21.46 +/- 0.64   0.001% *  0.0199% (0.06   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  38  28.67 +/- 0.86   0.000% *  0.1053% (0.31   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    GLU- 100  21.85 +/- 0.55   0.001% *  0.0190% (0.06   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    GLU- 100  20.53 +/- 0.70   0.002% *  0.0117% (0.03   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    GLU- 100  20.87 +/- 0.60   0.001% *  0.0070% (0.02   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    GLU- 100  26.93 +/- 0.45   0.000% *  0.0125% (0.04   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    GLU- 100  24.53 +/- 0.97   0.001% *  0.0046% (0.01   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    GLU- 100  27.56 +/- 0.80   0.000% *  0.0064% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.02 A, kept.
 
    Peak 353 (3.78, 2.18, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 215.1:
    * O T HA    LYS+  38 - HB2   LYS+  38   3.00 +/- 0.13  90.402% * 99.6144% (1.00   6.31 215.13) =  99.993%  kept
        T HA    GLU- 100 - HB2   LYS+  38   4.82 +/- 1.18   9.597% *  0.0703% (0.22   0.02   0.02) =   0.007%
          HA    VAL   24 - HB2   LYS+  38  20.52 +/- 1.00   0.001% *  0.2042% (0.65   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   LYS+  38  24.74 +/- 0.78   0.000% *  0.0625% (0.20   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   LYS+  38  27.91 +/- 1.32   0.000% *  0.0487% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 215.1:
    * O T HB3   LYS+  38 - HB2   LYS+  38   1.75 +/- 0.00  99.993% * 97.6592% (1.00   5.44 215.13) = 100.000%  kept
          QB    LYS+  33 - HB2   LYS+  38   9.23 +/- 0.80   0.006% *  0.1475% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   LYS+  38  13.97 +/- 1.02   0.001% *  0.3395% (0.95   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LYS+  38  14.99 +/- 0.53   0.000% *  0.0895% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   LYS+  38  17.55 +/- 0.43   0.000% *  0.2177% (0.61   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LYS+  38  15.63 +/- 1.38   0.000% *  0.0799% (0.22   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LYS+  38  16.22 +/- 0.53   0.000% *  0.1108% (0.31   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LYS+  38  27.14 +/- 1.26   0.000% *  0.3464% (0.97   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   LYS+  38  27.34 +/- 1.67   0.000% *  0.2998% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   LYS+  38  26.99 +/- 1.26   0.000% *  0.2322% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LYS+  38  26.97 +/- 1.06   0.000% *  0.2032% (0.57   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB2   LYS+  38  32.48 +/- 1.14   0.000% *  0.1747% (0.49   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LYS+  38  31.29 +/- 1.90   0.000% *  0.0998% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.53 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 = 215.1:
    * O T HG2   LYS+  38 - HB2   LYS+  38   2.81 +/- 0.26  98.120% * 98.2165% (1.00   6.08 215.13) =  99.994%  kept
        T HG2   LYS+  99 - HB2   LYS+  38   5.92 +/- 0.68   1.823% *  0.3165% (0.98   0.02   0.02) =   0.006%
          HB2   LEU   31 - HB2   LYS+  38  12.97 +/- 0.83   0.013% *  0.2345% (0.73   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+  38  11.34 +/- 1.27   0.038% *  0.0498% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  38  18.67 +/- 1.35   0.002% *  0.1448% (0.45   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  38  18.03 +/- 1.37   0.002% *  0.0719% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  38  19.83 +/- 1.28   0.001% *  0.1101% (0.34   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  38  21.74 +/- 0.95   0.001% *  0.1448% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  38  23.73 +/- 0.98   0.000% *  0.1828% (0.57   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  38  27.35 +/- 0.88   0.000% *  0.2697% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  38  28.82 +/- 0.78   0.000% *  0.2586% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 357 (1.26, 2.18, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.02, residual support = 215.1:
    * O T HG3   LYS+  38 - HB2   LYS+  38   2.58 +/- 0.34  97.187% * 98.1796% (1.00   6.02 215.13) =  99.993%  kept
          QG2   THR   39 - HB2   LYS+  38   5.71 +/- 0.31   1.079% *  0.2926% (0.90   0.02  30.30) =   0.003%
          QB    ALA   34 - HB2   LYS+  38   6.52 +/- 0.81   1.087% *  0.2612% (0.80   0.02   0.02) =   0.003%
        T HG3   LYS+  99 - HB2   LYS+  38   6.48 +/- 0.91   0.595% *  0.1224% (0.38   0.02   0.02) =   0.001%
          HG    LEU   71 - HB2   LYS+  38  10.78 +/- 1.62   0.048% *  0.1007% (0.31   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  38  16.32 +/- 1.50   0.002% *  0.1847% (0.57   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  38  20.87 +/- 1.17   0.000% *  0.3086% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HB2   LYS+  38  21.26 +/- 0.96   0.000% *  0.1463% (0.45   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  38  25.35 +/- 1.50   0.000% *  0.2926% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  38  22.23 +/- 1.47   0.000% *  0.1113% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (3.78, 1.88, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 215.1:
    * O T HA    LYS+  38 - HB3   LYS+  38   2.50 +/- 0.13  71.392% * 99.5672% (1.00   5.62 215.13) =  99.968%  kept
        T HA    GLU- 100 - HB3   LYS+  38   3.46 +/- 1.67  28.608% *  0.0789% (0.22   0.02   0.02) =   0.032%
          HA    VAL   24 - HB3   LYS+  38  20.43 +/- 0.67   0.000% *  0.2292% (0.65   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   LYS+  38  24.22 +/- 0.68   0.000% *  0.0701% (0.20   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   LYS+  38  27.74 +/- 1.30   0.000% *  0.0547% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 215.1:
    * O T HB2   LYS+  38 - HB3   LYS+  38   1.75 +/- 0.00  99.996% * 99.1323% (1.00   5.44 215.13) = 100.000%  kept
          HB    VAL   70 - HB3   LYS+  38  12.21 +/- 1.42   0.004% *  0.0721% (0.20   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   LYS+  38  18.21 +/- 0.66   0.000% *  0.2645% (0.73   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   LYS+  38  16.67 +/- 0.71   0.000% *  0.1243% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   LYS+  38  18.41 +/- 1.84   0.000% *  0.0908% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   LYS+  38  22.85 +/- 0.68   0.000% *  0.1243% (0.34   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB3   LYS+  38  32.37 +/- 1.04   0.000% *  0.1917% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.62 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 = 215.1:
    * O T HG2   LYS+  38 - HB3   LYS+  38   2.84 +/- 0.16  95.843% * 98.0750% (1.00   5.63 215.13) =  99.985%  kept
        T HG2   LYS+  99 - HB3   LYS+  38   5.17 +/- 0.88   4.080% *  0.3416% (0.98   0.02   0.02) =   0.015%
          HG    LEU   98 - HB3   LYS+  38  10.55 +/- 1.50   0.058% *  0.0538% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+  38  12.87 +/- 0.59   0.012% *  0.2531% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  38  18.55 +/- 1.41   0.002% *  0.1563% (0.45   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  38  17.63 +/- 1.34   0.002% *  0.0776% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  38  19.52 +/- 1.16   0.001% *  0.1189% (0.34   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  38  21.35 +/- 0.80   0.001% *  0.1563% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  38  23.53 +/- 0.72   0.000% *  0.1973% (0.57   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  38  26.77 +/- 0.91   0.000% *  0.2911% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  38  27.98 +/- 0.85   0.000% *  0.2791% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 5.45, residual support = 215.1:
    * O T HG3   LYS+  38 - HB3   LYS+  38   2.84 +/- 0.22  95.715% * 97.9930% (1.00   5.45 215.13) =  99.990%  kept
          QG2   THR   39 - HB3   LYS+  38   6.21 +/- 0.39   1.022% *  0.3226% (0.90   0.02  30.30) =   0.004%
        T HG3   LYS+  99 - HB3   LYS+  38   5.78 +/- 0.92   2.307% *  0.1350% (0.38   0.02   0.02) =   0.003%
          QB    ALA   34 - HB3   LYS+  38   6.56 +/- 0.53   0.899% *  0.2880% (0.80   0.02   0.02) =   0.003%
          HG    LEU   71 - HB3   LYS+  38  11.43 +/- 1.53   0.051% *  0.1110% (0.31   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   LYS+  38  16.90 +/- 1.50   0.003% *  0.2036% (0.57   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HB3   LYS+  38  20.55 +/- 1.06   0.001% *  0.3402% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HB3   LYS+  38  21.40 +/- 0.72   0.001% *  0.1613% (0.45   0.02   0.02) =   0.000%
          QB    ALA   91 - HB3   LYS+  38  24.86 +/- 1.59   0.000% *  0.3226% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB3   LYS+  38  22.18 +/- 1.34   0.001% *  0.1227% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 215.1:
    * O T QD    LYS+  38 - HB3   LYS+  38   2.24 +/- 0.11  99.986% * 97.6267% (1.00   4.63 215.13) = 100.000%  kept
          QD    LYS+ 102 - HB3   LYS+  38  10.28 +/- 1.32   0.013% *  0.3375% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB3   LYS+  38  18.43 +/- 1.08   0.000% *  0.3780% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+  38  20.95 +/- 1.61   0.000% *  0.3891% (0.92   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+  38  20.73 +/- 1.04   0.000% *  0.2386% (0.57   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+  38  23.14 +/- 0.69   0.000% *  0.4068% (0.97   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB3   LYS+  38  21.43 +/- 1.29   0.000% *  0.1438% (0.34   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+  38  28.40 +/- 1.00   0.000% *  0.2556% (0.61   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LYS+  38  26.49 +/- 1.17   0.000% *  0.0938% (0.22   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LYS+  38  29.35 +/- 1.14   0.000% *  0.1301% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (3.78, 1.32, 25.69 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.63, residual support = 215.1:
    * O T HA    LYS+  38 - HG2   LYS+  38   2.60 +/- 0.31  87.247% * 99.4518% (1.00   6.63 215.13) =  99.992%  kept
        T HA    GLU- 100 - HG2   LYS+  38   4.80 +/- 1.76   7.162% *  0.0668% (0.22   0.02   0.02) =   0.006%
        T HA    LYS+  38 - HG2   LYS+  99   5.64 +/- 0.84   1.382% *  0.0818% (0.27   0.02   0.02) =   0.001%
        T HA    GLU- 100 - HG2   LYS+  99   4.47 +/- 0.23   4.207% *  0.0182% (0.06   0.02  40.14) =   0.001%
          HA    VAL   24 - HG2   LYS+  38  19.36 +/- 0.47   0.001% *  0.1941% (0.65   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  99  20.58 +/- 0.65   0.000% *  0.0529% (0.18   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  38  23.57 +/- 0.54   0.000% *  0.0594% (0.20   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  99  23.42 +/- 0.58   0.000% *  0.0162% (0.05   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  38  28.99 +/- 1.35   0.000% *  0.0463% (0.15   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  99  24.15 +/- 0.40   0.000% *  0.0126% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 366 (2.18, 1.32, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 215.1:
    * O T HB2   LYS+  38 - HG2   LYS+  38   2.81 +/- 0.26  98.068% * 98.9256% (1.00   6.08 215.13) =  99.998%  kept
        T HB2   LYS+  38 - HG2   LYS+  99   5.92 +/- 0.68   1.823% *  0.0886% (0.27   0.02   0.02) =   0.002%
          HB    VAL   70 - HG2   LYS+  99   9.51 +/- 0.53   0.075% *  0.0175% (0.05   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  38  13.70 +/- 1.39   0.019% *  0.0644% (0.20   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  38  16.46 +/- 0.55   0.003% *  0.2362% (0.73   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  38  15.07 +/- 0.62   0.005% *  0.1109% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  38  18.75 +/- 2.14   0.003% *  0.0811% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  38  21.30 +/- 0.55   0.001% *  0.1109% (0.34   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  99  19.92 +/- 0.77   0.001% *  0.0644% (0.20   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  99  17.28 +/- 1.08   0.002% *  0.0221% (0.07   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  99  18.31 +/- 0.71   0.001% *  0.0302% (0.09   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  99  23.91 +/- 0.69   0.000% *  0.0302% (0.09   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  38  32.47 +/- 0.92   0.000% *  0.1711% (0.53   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  99  30.12 +/- 0.77   0.000% *  0.0466% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 215.1:
    * O T HB3   LYS+  38 - HG2   LYS+  38   2.84 +/- 0.16  95.642% * 97.0436% (1.00   5.63 215.13) =  99.996%  kept
        T HB3   LYS+  38 - HG2   LYS+  99   5.17 +/- 0.88   4.073% *  0.0940% (0.27   0.02   0.02) =   0.004%
          QB    LYS+  33 - HG2   LYS+  38   8.78 +/- 0.60   0.139% *  0.1418% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  38  13.42 +/- 0.69   0.010% *  0.3262% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  99  10.66 +/- 0.21   0.036% *  0.0290% (0.08   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   LYS+  99  11.40 +/- 0.73   0.026% *  0.0386% (0.11   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  99  10.57 +/- 0.10   0.037% *  0.0234% (0.07   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  99  13.14 +/- 0.21   0.010% *  0.0570% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  99  14.49 +/- 0.63   0.006% *  0.0889% (0.26   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  38  15.03 +/- 1.21   0.005% *  0.0860% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  38  17.93 +/- 0.66   0.002% *  0.2092% (0.61   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  38  17.75 +/- 1.82   0.003% *  0.0768% (0.22   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  38  17.39 +/- 0.64   0.002% *  0.1064% (0.31   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  99  14.30 +/- 1.48   0.008% *  0.0209% (0.06   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  38  27.28 +/- 1.62   0.000% *  0.2881% (0.84   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  38  27.93 +/- 1.15   0.000% *  0.3328% (0.97   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  38  25.99 +/- 0.61   0.000% *  0.1952% (0.57   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  99  22.95 +/- 0.43   0.000% *  0.0907% (0.26   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  38  28.39 +/- 1.38   0.000% *  0.2231% (0.65   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  99  23.72 +/- 0.98   0.000% *  0.0785% (0.23   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  99  23.05 +/- 0.39   0.000% *  0.0608% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  99  26.21 +/- 0.60   0.000% *  0.0532% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  38  32.06 +/- 0.98   0.000% *  0.1679% (0.49   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  38  32.04 +/- 1.90   0.000% *  0.0959% (0.28   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  99  29.58 +/- 0.68   0.000% *  0.0457% (0.13   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  99  28.13 +/- 0.93   0.000% *  0.0261% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.915, support = 6.5, residual support = 211.1:
    * O T HG3   LYS+  38 - HG2   LYS+  38   1.75 +/- 0.00  49.464% * 88.7392% (1.00   6.48 215.13) =  90.540%  kept
      O T HG3   LYS+  99 - HG2   LYS+  99   1.75 +/- 0.00  49.464% *  9.2705% (0.10   6.62 172.32) =   9.459%  kept
          QG2   THR   39 - HG2   LYS+  99   5.21 +/- 0.85   1.001% *  0.0669% (0.24   0.02   0.02) =   0.001%
          QB    ALA   34 - HG2   LYS+  38   6.45 +/- 0.43   0.022% *  0.2192% (0.80   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  38   7.26 +/- 0.48   0.011% *  0.2455% (0.90   0.02  30.30) =   0.000%
          QB    ALA   34 - HG2   LYS+  99   6.70 +/- 0.51   0.018% *  0.0597% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HG2   LYS+  99   7.63 +/- 0.85   0.010% *  0.0746% (0.27   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+  38   8.10 +/- 1.07   0.007% *  0.1027% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  38  11.39 +/- 1.57   0.002% *  0.0845% (0.31   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  99  11.36 +/- 1.05   0.001% *  0.0230% (0.08   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  38  16.65 +/- 1.59   0.000% *  0.1550% (0.57   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  38  21.49 +/- 1.06   0.000% *  0.2589% (0.95   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  99  17.56 +/- 0.49   0.000% *  0.0706% (0.26   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  99  16.54 +/- 1.11   0.000% *  0.0422% (0.15   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  38  20.46 +/- 0.62   0.000% *  0.1227% (0.45   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  38  25.25 +/- 1.51   0.000% *  0.2455% (0.90   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  38  22.47 +/- 1.24   0.000% *  0.0934% (0.34   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  99  22.58 +/- 1.50   0.000% *  0.0669% (0.24   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  99  20.05 +/- 1.05   0.000% *  0.0254% (0.09   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  99  21.57 +/- 0.52   0.000% *  0.0334% (0.12   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 = 215.1:
    * O T QD    LYS+  38 - HG2   LYS+  38   2.37 +/- 0.13  99.646% * 97.4790% (1.00   5.75 215.13) = 100.000%  kept
        T QD    LYS+  38 - HG2   LYS+  99   6.49 +/- 0.67   0.295% *  0.0924% (0.27   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  99   8.76 +/- 0.41   0.043% *  0.0740% (0.22   0.02   1.32) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  38  11.30 +/- 1.58   0.010% *  0.2714% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  99  13.57 +/- 0.64   0.003% *  0.0828% (0.24   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  38  21.99 +/- 1.84   0.000% *  0.3129% (0.92   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  38  20.72 +/- 1.06   0.000% *  0.3040% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  99  16.22 +/- 0.80   0.001% *  0.0523% (0.15   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  38  22.60 +/- 0.53   0.000% *  0.3271% (0.97   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  99  18.76 +/- 0.54   0.000% *  0.0853% (0.25   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  38  23.19 +/- 1.13   0.000% *  0.1919% (0.57   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  38  21.92 +/- 1.25   0.000% *  0.1156% (0.34   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  99  22.14 +/- 0.65   0.000% *  0.0891% (0.26   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  99  19.03 +/- 0.52   0.000% *  0.0315% (0.09   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  38  29.30 +/- 0.89   0.000% *  0.2056% (0.61   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  99  24.97 +/- 0.57   0.000% *  0.0560% (0.17   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  38  27.22 +/- 1.24   0.000% *  0.0755% (0.22   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  99  23.32 +/- 0.81   0.000% *  0.0206% (0.06   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  99  24.90 +/- 0.77   0.000% *  0.0285% (0.08   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  38  31.04 +/- 1.03   0.000% *  0.1046% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 6.51, residual support = 215.1:
    * O T HA    LYS+  38 - HG3   LYS+  38   3.10 +/- 0.54  81.606% * 99.5554% (1.00   6.51 215.13) =  99.991%  kept
        T HA    GLU- 100 - HG3   LYS+  38   5.15 +/- 1.83   8.215% *  0.0681% (0.22   0.02   0.02) =   0.007%
        T HA    LYS+  38 - HG3   LYS+  99   6.08 +/- 1.17   3.194% *  0.0319% (0.10   0.02   0.02) =   0.001%
        T HA    GLU- 100 - HG3   LYS+  99   4.92 +/- 0.19   6.980% *  0.0071% (0.02   0.02  40.14) =   0.001%
          HA    VAL   24 - HG3   LYS+  38  19.86 +/- 0.93   0.002% *  0.1979% (0.65   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   LYS+  99  20.51 +/- 1.32   0.001% *  0.0206% (0.07   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  38  24.13 +/- 1.14   0.000% *  0.0605% (0.20   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  38  29.12 +/- 1.69   0.000% *  0.0472% (0.15   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  99  23.31 +/- 0.96   0.001% *  0.0063% (0.02   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  99  23.77 +/- 0.92   0.001% *  0.0049% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 372 (2.18, 1.26, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.02, residual support = 215.1:
    * O T HB2   LYS+  38 - HG3   LYS+  38   2.58 +/- 0.34  99.298% * 99.0995% (1.00   6.02 215.13) = 100.000%  kept
        T HB2   LYS+  38 - HG3   LYS+  99   6.48 +/- 0.91   0.608% *  0.0344% (0.10   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  38  13.64 +/- 1.61   0.012% *  0.0652% (0.20   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  99   9.25 +/- 1.14   0.071% *  0.0068% (0.02   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  38  16.87 +/- 0.71   0.002% *  0.2391% (0.73   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  38  15.43 +/- 0.81   0.003% *  0.1123% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  38  18.69 +/- 2.34   0.001% *  0.0821% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  38  21.74 +/- 0.78   0.000% *  0.1123% (0.34   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  99  19.97 +/- 1.36   0.001% *  0.0250% (0.08   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  99  17.09 +/- 1.38   0.002% *  0.0086% (0.03   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  99  18.35 +/- 1.45   0.001% *  0.0117% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  38  32.93 +/- 1.43   0.000% *  0.1732% (0.53   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  99  23.88 +/- 1.54   0.000% *  0.0117% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  99  29.83 +/- 0.86   0.000% *  0.0181% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 5.45, residual support = 215.1:
    * O T HB3   LYS+  38 - HG3   LYS+  38   2.84 +/- 0.22  97.351% * 97.3879% (1.00   5.45 215.13) =  99.999%  kept
        T HB3   LYS+  38 - HG3   LYS+  99   5.78 +/- 0.92   2.342% *  0.0373% (0.10   0.02   0.02) =   0.001%
          QB    LYS+  33 - HG3   LYS+  38   9.00 +/- 0.74   0.134% *  0.1470% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  38  13.78 +/- 0.98   0.010% *  0.3381% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  99  10.37 +/- 0.19   0.045% *  0.0115% (0.03   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  99  11.46 +/- 1.29   0.031% *  0.0153% (0.04   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  99  10.47 +/- 0.15   0.042% *  0.0093% (0.03   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  38  15.43 +/- 1.24   0.004% *  0.0891% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  38  18.23 +/- 0.81   0.001% *  0.2168% (0.61   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  38  17.50 +/- 1.91   0.004% *  0.0796% (0.22   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  99  12.88 +/- 0.28   0.012% *  0.0226% (0.06   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  99  14.41 +/- 1.50   0.008% *  0.0353% (0.10   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  38  17.56 +/- 0.80   0.002% *  0.1103% (0.31   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  99  14.11 +/- 1.43   0.010% *  0.0083% (0.02   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  38  28.16 +/- 1.51   0.000% *  0.3450% (0.97   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  38  27.70 +/- 1.89   0.000% *  0.2986% (0.84   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  38  26.44 +/- 1.13   0.000% *  0.2024% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  38  28.44 +/- 1.68   0.000% *  0.2312% (0.65   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  99  22.57 +/- 0.91   0.000% *  0.0360% (0.10   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  99  23.39 +/- 1.23   0.000% *  0.0312% (0.09   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  99  22.67 +/- 0.85   0.000% *  0.0241% (0.07   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  38  32.52 +/- 1.38   0.000% *  0.1740% (0.49   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  38  32.23 +/- 2.21   0.000% *  0.0994% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  99  26.08 +/- 1.12   0.000% *  0.0211% (0.06   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  99  29.30 +/- 0.88   0.000% *  0.0182% (0.05   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  99  27.77 +/- 0.95   0.000% *  0.0104% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.915, support = 6.5, residual support = 211.1:
    * O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.985% * 89.0241% (1.00   6.48 215.13) =  90.541%  kept
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.985% *  9.3003% (0.10   6.62 172.32) =   9.459%  kept
        T HG2   LYS+  99 - HG3   LYS+  38   7.63 +/- 0.85   0.010% *  0.2692% (0.98   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG3   LYS+  99   8.10 +/- 1.07   0.007% *  0.0287% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.17 +/- 0.77   0.000% *  0.1994% (0.73   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   7.73 +/- 1.06   0.012% *  0.0044% (0.02   0.02  15.74) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  11.88 +/- 1.53   0.001% *  0.0424% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  13.89 +/- 1.34   0.000% *  0.0208% (0.08   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  20.13 +/- 1.72   0.000% *  0.1231% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  20.73 +/- 1.53   0.000% *  0.0937% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  14.52 +/- 0.89   0.000% *  0.0128% (0.05   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  13.64 +/- 1.18   0.000% *  0.0064% (0.02   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  21.91 +/- 1.13   0.000% *  0.1231% (0.45   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  19.69 +/- 1.36   0.000% *  0.0611% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  23.42 +/- 1.06   0.000% *  0.1555% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  15.95 +/- 0.93   0.000% *  0.0098% (0.04   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  27.05 +/- 1.15   0.000% *  0.2294% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  29.81 +/- 1.03   0.000% *  0.2199% (0.80   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.13 +/- 0.75   0.000% *  0.0128% (0.05   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.34 +/- 0.50   0.000% *  0.0229% (0.08   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  22.49 +/- 1.27   0.000% *  0.0162% (0.06   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  25.17 +/- 0.75   0.000% *  0.0239% (0.09   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 5.47, residual support = 215.1:
    * O T QD    LYS+  38 - HG3   LYS+  38   2.36 +/- 0.11  99.766% * 97.7390% (1.00   5.47 215.13) = 100.000%  kept
        T QD    LYS+  38 - HG3   LYS+  99   7.05 +/- 0.73   0.179% *  0.0373% (0.10   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+  38  11.64 +/- 1.56   0.009% *  0.2863% (0.80   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  99   8.88 +/- 0.57   0.039% *  0.0299% (0.08   0.02   1.32) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  99  13.25 +/- 0.61   0.004% *  0.0335% (0.09   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  38  21.89 +/- 2.02   0.000% *  0.3301% (0.92   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  38  20.77 +/- 1.09   0.000% *  0.3207% (0.90   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  38  23.14 +/- 1.03   0.000% *  0.3451% (0.97   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  38  23.06 +/- 1.10   0.000% *  0.2025% (0.57   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  99  15.92 +/- 0.64   0.001% *  0.0211% (0.06   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  38  22.16 +/- 1.66   0.000% *  0.1220% (0.34   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  99  18.50 +/- 0.97   0.000% *  0.0344% (0.10   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  99  22.03 +/- 1.25   0.000% *  0.0360% (0.10   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  99  18.73 +/- 1.39   0.000% *  0.0127% (0.04   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  38  29.61 +/- 1.35   0.000% *  0.2169% (0.61   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  38  27.62 +/- 1.60   0.000% *  0.0796% (0.22   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  38  31.26 +/- 1.36   0.000% *  0.1104% (0.31   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  99  24.63 +/- 0.73   0.000% *  0.0226% (0.06   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  99  23.00 +/- 1.01   0.000% *  0.0083% (0.02   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  99  24.54 +/- 0.84   0.000% *  0.0115% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 377 (3.78, 1.67, 29.90 ppm):
    20 chemical-shift based assignments, quality = 0.999, support = 5.74, residual support = 215.0:
    *   T HA    LYS+  38 - QD    LYS+  38   3.63 +/- 0.20  50.037% * 99.2116% (1.00   5.74 215.13) =  99.923%  kept
        T HA    GLU- 100 - QD    LYS+  38   3.96 +/- 1.58  49.731% *  0.0769% (0.22   0.02   0.02) =   0.077%
        T HD2   PRO   58 - HD2   LYS+  74  10.08 +/- 0.54   0.121% *  0.0117% (0.03   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+  74  13.50 +/- 0.60   0.021% *  0.0490% (0.14   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  38  19.09 +/- 0.63   0.002% *  0.2235% (0.65   0.02   0.02) =   0.000%
        T HD2   PRO   58 - QD    LYS+  65  11.54 +/- 0.37   0.050% *  0.0097% (0.03   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+  74  19.79 +/- 0.59   0.002% *  0.0758% (0.22   0.02   0.02) =   0.000%
        T HA    VAL   83 - HD2   LYS+  74  15.59 +/- 0.96   0.009% *  0.0150% (0.04   0.02   0.02) =   0.000%
        T HA    LYS+  38 - QD    LYS+  65  20.38 +/- 1.20   0.002% *  0.0631% (0.18   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD2   LYS+ 111  13.53 +/- 0.44   0.019% *  0.0040% (0.01   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  38  22.40 +/- 0.52   0.001% *  0.0684% (0.20   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  65  22.22 +/- 0.70   0.001% *  0.0408% (0.12   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+  74  20.87 +/- 0.60   0.001% *  0.0169% (0.05   0.02   0.02) =   0.000%
        T HD2   PRO   58 - QD    LYS+  38  26.77 +/- 1.78   0.000% *  0.0533% (0.15   0.02   0.02) =   0.000%
        T HA    GLU- 100 - QD    LYS+  65  21.85 +/- 0.55   0.001% *  0.0141% (0.04   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+ 111  28.67 +/- 0.86   0.000% *  0.0260% (0.08   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  65  25.83 +/- 0.54   0.000% *  0.0125% (0.04   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+ 111  27.65 +/- 1.01   0.000% *  0.0168% (0.05   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   LYS+ 111  24.72 +/- 1.11   0.001% *  0.0051% (0.01   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+ 111  27.56 +/- 0.80   0.000% *  0.0058% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.92 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 = 215.1:
    * O   HB2   LYS+  38 - QD    LYS+  38   2.84 +/- 0.24  94.231% * 98.4496% (1.00   5.07 215.13) =  99.999%  kept
          QG    GLN   17 - QD    LYS+  65   5.97 +/- 1.60   5.132% *  0.0177% (0.05   0.02   0.02) =   0.001%
          HB    VAL   70 - QD    LYS+  38  13.00 +/- 1.96   0.475% *  0.0768% (0.20   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+  74  10.06 +/- 1.08   0.072% *  0.0212% (0.05   0.02   0.02) =   0.000%
          QG    GLN   17 - QD    LYS+  38  18.05 +/- 2.27   0.008% *  0.0968% (0.25   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  38  16.79 +/- 0.62   0.003% *  0.2818% (0.73   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  65  10.38 +/- 0.42   0.046% *  0.0140% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  38  15.62 +/- 0.67   0.004% *  0.1324% (0.34   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+  74  12.81 +/- 0.77   0.013% *  0.0168% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+  74  15.45 +/- 1.12   0.004% *  0.0448% (0.12   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+  74  17.60 +/- 0.43   0.002% *  0.0618% (0.16   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  38  21.03 +/- 0.64   0.001% *  0.1324% (0.34   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+  74  16.49 +/- 0.51   0.003% *  0.0290% (0.07   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QD    LYS+  65  20.54 +/- 1.43   0.001% *  0.0709% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+  74  21.50 +/- 1.40   0.001% *  0.0851% (0.22   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+  74  17.23 +/- 0.38   0.002% *  0.0290% (0.07   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  65  22.58 +/- 1.02   0.000% *  0.0515% (0.13   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  65  20.46 +/- 0.94   0.001% *  0.0242% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  38  30.20 +/- 1.07   0.000% *  0.2041% (0.53   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+ 111  19.79 +/- 1.20   0.001% *  0.0154% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  65  25.41 +/- 0.36   0.000% *  0.0373% (0.10   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  65  23.98 +/- 0.94   0.000% *  0.0242% (0.06   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+ 111  22.26 +/- 0.73   0.000% *  0.0058% (0.01   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+ 111  23.48 +/- 0.99   0.000% *  0.0073% (0.02   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+ 111  30.14 +/- 1.10   0.000% *  0.0292% (0.08   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+ 111  33.11 +/- 0.90   0.000% *  0.0212% (0.05   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+ 111  32.36 +/- 0.80   0.000% *  0.0100% (0.03   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+ 111  32.95 +/- 0.88   0.000% *  0.0100% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 215.1:
    * O T HB3   LYS+  38 - QD    LYS+  38   2.24 +/- 0.11  99.812% * 95.8167% (1.00   4.63 215.13) = 100.000%  kept
          QB    LYS+  33 - QD    LYS+  38   9.76 +/- 0.59   0.017% *  0.1701% (0.41   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+  74   9.74 +/- 0.81   0.020% *  0.0875% (0.21   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  65   9.67 +/- 0.48   0.018% *  0.0489% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  38  13.95 +/- 0.82   0.002% *  0.3913% (0.95   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  65   8.64 +/- 1.29   0.040% *  0.0168% (0.04   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+ 111   9.60 +/- 0.51   0.018% *  0.0300% (0.07   0.02   2.29) =   0.000%
          HB2   MET   92 - HD2   LYS+  74  11.89 +/- 1.69   0.007% *  0.0758% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+  74  11.75 +/- 0.41   0.005% *  0.0858% (0.21   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+  74  10.75 +/- 1.15   0.012% *  0.0252% (0.06   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  38  16.36 +/- 2.25   0.003% *  0.0921% (0.22   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  38  13.28 +/- 0.90   0.003% *  0.1032% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+  74  12.21 +/- 0.58   0.004% *  0.0587% (0.14   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+ 111  13.19 +/- 2.43   0.009% *  0.0260% (0.06   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  38  16.15 +/- 0.46   0.001% *  0.2509% (0.61   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HD2   LYS+ 111  10.81 +/- 0.68   0.009% *  0.0189% (0.05   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   LYS+  74  13.07 +/- 0.88   0.003% *  0.0550% (0.13   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  38  15.45 +/- 0.65   0.001% *  0.1277% (0.31   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  65  15.18 +/- 0.27   0.001% *  0.0729% (0.18   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   LYS+  74  14.34 +/- 0.44   0.002% *  0.0373% (0.09   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+  74  15.34 +/- 0.81   0.001% *  0.0514% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+  74  15.57 +/- 1.12   0.001% *  0.0442% (0.11   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  65  14.14 +/- 0.81   0.002% *  0.0210% (0.05   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  65  17.24 +/- 0.71   0.001% *  0.0715% (0.17   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+ 111  14.13 +/- 0.52   0.002% *  0.0201% (0.05   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+  74  15.35 +/- 0.76   0.001% *  0.0280% (0.07   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  65  15.97 +/- 0.84   0.001% *  0.0311% (0.08   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  38  25.72 +/- 1.48   0.000% *  0.3992% (0.97   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  38  25.28 +/- 1.51   0.000% *  0.3455% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  65  18.17 +/- 0.31   0.000% *  0.0458% (0.11   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QD    LYS+  65  20.95 +/- 1.61   0.000% *  0.0756% (0.18   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+ 111  14.44 +/- 0.74   0.002% *  0.0096% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  38  26.04 +/- 1.84   0.000% *  0.2676% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  38  24.65 +/- 0.77   0.000% *  0.2342% (0.57   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+  74  21.43 +/- 1.29   0.000% *  0.0907% (0.22   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  65  17.30 +/- 0.46   0.000% *  0.0233% (0.06   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+  74  18.07 +/- 0.85   0.000% *  0.0226% (0.05   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  65  21.64 +/- 0.42   0.000% *  0.0631% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+  74  17.98 +/- 0.89   0.000% *  0.0202% (0.05   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+ 111  19.03 +/- 1.11   0.000% *  0.0152% (0.04   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+ 111  17.21 +/- 0.61   0.001% *  0.0087% (0.02   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  38  29.77 +/- 1.05   0.000% *  0.2014% (0.49   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  65  24.16 +/- 0.58   0.000% *  0.0428% (0.10   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  38  29.77 +/- 2.17   0.000% *  0.1150% (0.28   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+ 111  18.80 +/- 0.82   0.000% *  0.0078% (0.02   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  65  22.62 +/- 0.38   0.000% *  0.0188% (0.05   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  65  25.59 +/- 0.66   0.000% *  0.0368% (0.09   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+ 111  26.76 +/- 0.89   0.000% *  0.0295% (0.07   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+ 111  25.36 +/- 0.87   0.000% *  0.0176% (0.04   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+ 111  29.35 +/- 1.14   0.000% *  0.0311% (0.08   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   LYS+ 111  26.98 +/- 0.72   0.000% *  0.0128% (0.03   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+ 111  26.67 +/- 0.93   0.000% *  0.0069% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 0.981, support = 5.64, residual support = 211.0:
    * O T HG2   LYS+  38 - QD    LYS+  38   2.37 +/- 0.13  75.333% * 91.3371% (1.00   5.75 215.13) =  98.083%  kept
      O T HG2   LYS+ 111 - HD2   LYS+ 111   2.90 +/- 0.06  22.619% *  5.9393% (0.06   6.21 313.66) =   1.915%
        T HG2   LYS+  99 - QD    LYS+  38   6.49 +/- 0.67   0.218% *  0.3113% (0.98   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HD2   LYS+  74   4.85 +/- 0.74   1.622% *  0.0238% (0.07   0.02   6.00) =   0.001%
          QG2   THR   77 - HD2   LYS+  74   7.40 +/- 0.96   0.108% *  0.0312% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.21 +/- 0.50   0.004% *  0.2306% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.74 +/- 0.20   0.031% *  0.0260% (0.08   0.02   1.19) =   0.000%
          HB2   LEU   63 - HD2   LYS+  74   9.23 +/- 0.79   0.025% *  0.0312% (0.10   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  10.95 +/- 1.23   0.011% *  0.0490% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+  74  10.79 +/- 0.78   0.009% *  0.0394% (0.12   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  18.64 +/- 1.87   0.001% *  0.1424% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.80 +/- 0.35   0.003% *  0.0198% (0.06   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+  74  15.43 +/- 0.60   0.001% *  0.0506% (0.16   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  17.09 +/- 1.42   0.001% *  0.0707% (0.22   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+  74  16.36 +/- 0.96   0.001% *  0.0582% (0.18   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.31 +/- 1.47   0.000% *  0.1083% (0.34   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HD2   LYS+  74  16.99 +/- 0.80   0.001% *  0.0558% (0.18   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  20.28 +/- 0.88   0.000% *  0.1424% (0.45   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+  74  13.66 +/- 1.20   0.002% *  0.0107% (0.03   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  13.94 +/- 0.79   0.002% *  0.0107% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  22.15 +/- 0.78   0.000% *  0.1798% (0.57   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+  74  19.03 +/- 0.52   0.000% *  0.0683% (0.21   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  18.76 +/- 0.54   0.000% *  0.0569% (0.18   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  24.66 +/- 0.75   0.000% *  0.2653% (0.84   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  16.70 +/- 0.33   0.001% *  0.0260% (0.08   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.20 +/- 0.62   0.001% *  0.0129% (0.04   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  14.58 +/- 0.66   0.002% *  0.0082% (0.03   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.99 +/- 1.84   0.000% *  0.0580% (0.18   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  26.61 +/- 0.87   0.000% *  0.2543% (0.80   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+  74  21.92 +/- 1.25   0.000% *  0.0696% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  16.04 +/- 0.73   0.001% *  0.0107% (0.03   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  21.45 +/- 0.41   0.000% *  0.0465% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  21.25 +/- 0.67   0.000% *  0.0421% (0.13   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  19.27 +/- 0.91   0.000% *  0.0200% (0.06   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  21.22 +/- 0.57   0.000% *  0.0328% (0.10   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  16.11 +/- 0.95   0.001% *  0.0053% (0.02   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+  74  19.86 +/- 0.61   0.000% *  0.0155% (0.05   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.44 +/- 0.96   0.000% *  0.0090% (0.03   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  24.80 +/- 0.31   0.000% *  0.0485% (0.15   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  24.90 +/- 0.77   0.000% *  0.0234% (0.07   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  24.32 +/- 1.02   0.000% *  0.0135% (0.04   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.30 +/- 1.50   0.000% *  0.0037% (0.01   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  28.01 +/- 0.99   0.000% *  0.0174% (0.05   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  31.04 +/- 1.03   0.000% *  0.0239% (0.08   0.02   0.02) =   0.000%
    Distance limit 2.64 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 = 0.966, support = 5.47, residual support = 213.7:
    * O T HG3   LYS+  38 - QD    LYS+  38   2.36 +/- 0.11  66.057% * 90.2950% (1.00   5.47 215.13) =  96.315%  kept
      O T HG2   LYS+  74 - HD2   LYS+  74   2.68 +/- 0.22  33.302% *  6.8489% (0.07   5.54 175.61) =   3.683%  kept
          QB    ALA   34 - QD    LYS+  38   7.20 +/- 0.56   0.116% *  0.2645% (0.80   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  38   7.29 +/- 0.43   0.088% *  0.2963% (0.90   0.02  30.30) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74   6.26 +/- 0.63   0.222% *  0.0685% (0.21   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  38   7.05 +/- 0.73   0.115% *  0.1240% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  11.90 +/- 1.71   0.023% *  0.1020% (0.31   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  10.77 +/- 1.10   0.008% *  0.0650% (0.20   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74  10.17 +/- 0.61   0.012% *  0.0410% (0.12   0.02   8.15) =   0.000%
          QG2   ILE   56 - HD2   LYS+ 111   9.24 +/- 0.42   0.019% *  0.0235% (0.07   0.02   2.29) =   0.000%
          QG2   ILE   56 - QD    LYS+  65  11.74 +/- 0.22   0.005% *  0.0571% (0.17   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+  74  12.03 +/- 0.41   0.004% *  0.0580% (0.18   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  16.69 +/- 1.77   0.001% *  0.1870% (0.57   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  65  12.47 +/- 0.87   0.003% *  0.0541% (0.16   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  12.19 +/- 0.86   0.004% *  0.0342% (0.10   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.89 +/- 0.81   0.002% *  0.0650% (0.20   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+  74  12.26 +/- 0.42   0.003% *  0.0325% (0.10   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.84 +/- 1.29   0.003% *  0.0224% (0.07   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+ 111  12.86 +/- 1.24   0.003% *  0.0223% (0.07   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  19.92 +/- 1.31   0.000% *  0.3125% (0.95   0.02   0.02) =   0.000%
          QB    ALA   34 - QD    LYS+  65  14.37 +/- 0.62   0.001% *  0.0483% (0.15   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  13.65 +/- 0.92   0.002% *  0.0206% (0.06   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.62 +/- 0.88   0.002% *  0.0186% (0.06   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  38  19.90 +/- 0.77   0.000% *  0.1481% (0.45   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  23.41 +/- 1.55   0.000% *  0.2963% (0.90   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.53 +/- 1.56   0.000% *  0.1127% (0.34   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  65  18.73 +/- 0.81   0.000% *  0.0541% (0.16   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+  65  21.89 +/- 2.02   0.000% *  0.0604% (0.18   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  22.16 +/- 1.66   0.000% *  0.0724% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  18.73 +/- 1.39   0.000% *  0.0272% (0.08   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  65  18.84 +/- 0.64   0.000% *  0.0271% (0.08   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.50 +/- 0.97   0.000% *  0.0227% (0.07   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+ 111  21.58 +/- 0.66   0.000% *  0.0199% (0.06   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+ 111  22.12 +/- 0.66   0.000% *  0.0223% (0.07   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  19.27 +/- 0.95   0.000% *  0.0085% (0.03   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.54 +/- 0.84   0.000% *  0.0093% (0.03   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+ 111  25.61 +/- 0.77   0.000% *  0.0111% (0.03   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  26.81 +/- 0.82   0.000% *  0.0141% (0.04   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+ 111  31.26 +/- 1.36   0.000% *  0.0249% (0.08   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.72 +/- 0.86   0.000% *  0.0077% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.73 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 = 38.4:
    * O T HB    THR   39 - HA    THR   39   2.99 +/- 0.18  94.815% * 95.5780% (1.00   3.00  38.38) =  99.965%  kept
          HB3   SER   37 - HA    THR   39   5.05 +/- 0.58   5.091% *  0.6149% (0.97   0.02   3.48) =   0.035%
        T HB    THR   39 - HA    ILE  103  12.11 +/- 0.42   0.023% *  0.2105% (0.33   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR   39  16.28 +/- 2.25   0.006% *  0.6358% (1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   39  11.95 +/- 0.53   0.026% *  0.1589% (0.25   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ILE  103  12.68 +/- 0.17   0.017% *  0.1362% (0.21   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ILE  103  13.82 +/- 0.83   0.011% *  0.2032% (0.32   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   39  18.12 +/- 0.55   0.002% *  0.4122% (0.65   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ILE  103  19.64 +/- 0.95   0.001% *  0.2032% (0.32   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ILE  103  16.01 +/- 0.66   0.004% *  0.0525% (0.08   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   39  24.31 +/- 0.98   0.000% *  0.5322% (0.84   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ILE  103  20.48 +/- 1.26   0.001% *  0.1758% (0.28   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   39  27.10 +/- 0.98   0.000% *  0.6149% (0.97   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ILE  103  23.69 +/- 1.66   0.000% *  0.2100% (0.33   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    ILE  103  24.06 +/- 0.85   0.000% *  0.0650% (0.10   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    THR   39  29.70 +/- 0.70   0.000% *  0.1967% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 38.4:
    * O T QG2   THR   39 - HA    THR   39   2.41 +/- 0.32  92.796% * 94.3820% (0.87   3.00  38.38) =  99.974%  kept
          HG3   LYS+  99 - HA    THR   39   4.35 +/- 1.02   5.502% *  0.2474% (0.34   0.02   0.02) =   0.016%
          QB    ALA   34 - HA    THR   39   5.30 +/- 0.28   1.106% *  0.6059% (0.84   0.02   3.42) =   0.008%
          HG3   LYS+  38 - HA    THR   39   6.52 +/- 0.15   0.316% *  0.7238% (1.00   0.02  30.30) =   0.003%
          HG    LEU   71 - HA    THR   39   8.35 +/- 1.20   0.077% *  0.2017% (0.28   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE  103   8.60 +/- 0.60   0.058% *  0.2002% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE  103   7.96 +/- 0.15   0.098% *  0.0817% (0.11   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    ILE  103  10.17 +/- 0.44   0.026% *  0.2079% (0.29   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    THR   39  13.85 +/- 1.10   0.003% *  0.3816% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE  103  13.37 +/- 1.06   0.005% *  0.2391% (0.33   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ILE  103  13.98 +/- 0.54   0.003% *  0.2313% (0.32   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   39  17.97 +/- 0.55   0.001% *  0.7000% (0.97   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    ILE  103  17.43 +/- 1.90   0.001% *  0.2079% (0.29   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE  103  14.40 +/- 0.31   0.003% *  0.0666% (0.09   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    THR   39  19.26 +/- 0.82   0.001% *  0.2239% (0.31   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    THR   39  20.27 +/- 0.48   0.000% *  0.3531% (0.49   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   39  23.24 +/- 1.09   0.000% *  0.6292% (0.87   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE  103  17.97 +/- 0.93   0.001% *  0.1261% (0.17   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE  103  17.24 +/- 0.71   0.001% *  0.0740% (0.10   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ILE  103  19.87 +/- 0.44   0.000% *  0.1167% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 38.4:
    * O T HA    THR   39 - HB    THR   39   2.99 +/- 0.18  99.966% * 96.3467% (1.00   3.00  38.38) = 100.000%  kept
        T HA    ILE  103 - HB    THR   39  12.11 +/- 0.42   0.025% *  0.4664% (0.73   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    THR   39  16.01 +/- 0.64   0.005% *  0.3379% (0.53   0.02   0.02) =   0.000%
          HA    MET   11 - HB    THR   39  19.72 +/- 3.44   0.002% *  0.3126% (0.49   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    THR   39  20.38 +/- 0.66   0.001% *  0.4909% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    THR   39  24.64 +/- 0.88   0.000% *  0.6366% (0.99   0.02   0.02) =   0.000%
          HB    THR   77 - HB    THR   39  24.57 +/- 0.82   0.000% *  0.3896% (0.61   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    THR   39  30.72 +/- 0.93   0.000% *  0.6296% (0.98   0.02   0.02) =   0.000%
          HA    SER   85 - HB    THR   39  28.48 +/- 0.76   0.000% *  0.3896% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 387 (3.86, 3.86, 70.88 ppm):
    1 diagonal assignment:
    *     HB    THR   39 - HB    THR   39  (1.00)  kept
 
    Peak 388 (1.26, 3.86, 70.88 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 38.4:
    * O T QG2   THR   39 - HB    THR   39   2.17 +/- 0.01  94.660% * 95.8693% (0.87   3.00  38.38) =  99.969%  kept
        T QB    ALA   34 - HB    THR   39   3.93 +/- 0.79   4.034% *  0.6154% (0.84   0.02   3.42) =   0.027%
          HG    LEU   71 - HB    THR   39   5.87 +/- 1.65   0.991% *  0.2049% (0.28   0.02   0.02) =   0.002%
        T HG3   LYS+  99 - HB    THR   39   6.48 +/- 1.25   0.234% *  0.2513% (0.34   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HB    THR   39   7.21 +/- 0.31   0.073% *  0.7352% (1.00   0.02  30.30) =   0.001%
          HG13  ILE   19 - HB    THR   39  11.35 +/- 1.59   0.006% *  0.3877% (0.53   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    THR   39  17.40 +/- 0.65   0.000% *  0.7111% (0.97   0.02   0.02) =   0.000%
        T QG2   THR   23 - HB    THR   39  18.38 +/- 0.76   0.000% *  0.3586% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    THR   39  17.61 +/- 0.94   0.000% *  0.2274% (0.31   0.02   0.02) =   0.000%
        T QB    ALA   91 - HB    THR   39  22.48 +/- 1.11   0.000% *  0.6391% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 38.4:
    * O T HA    THR   39 - QG2   THR   39   2.41 +/- 0.32  95.777% * 92.2518% (0.87   3.00  38.38) =  99.990%  kept
          HB    THR   77 - QB    ALA   91   4.50 +/- 0.61   3.465% *  0.1761% (0.25   0.02   0.02) =   0.007%
          HA    GLU-  79 - QG2   THR   23   6.24 +/- 0.17   0.440% *  0.3421% (0.48   0.02   0.02) =   0.002%
          HA1   GLY   51 - QB    ALA   91   8.35 +/- 2.50   0.168% *  0.2847% (0.40   0.02   0.02) =   0.001%
        T HA    ILE  103 - QG2   THR   39  10.17 +/- 0.44   0.026% *  0.4466% (0.63   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   91  10.32 +/- 1.20   0.023% *  0.2879% (0.41   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   91   9.80 +/- 0.56   0.032% *  0.1528% (0.22   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   91  10.45 +/- 0.39   0.021% *  0.1761% (0.25   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    ALA   91  11.15 +/- 1.17   0.014% *  0.2219% (0.31   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   23  11.85 +/- 0.47   0.009% *  0.2093% (0.30   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   39  13.17 +/- 0.44   0.005% *  0.3236% (0.46   0.02   0.02) =   0.000%
        T HB    THR   77 - QG2   THR   23  12.06 +/- 0.29   0.008% *  0.2093% (0.30   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   39  16.26 +/- 2.90   0.003% *  0.2994% (0.42   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   39  16.41 +/- 0.64   0.001% *  0.4700% (0.66   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   23  14.62 +/- 0.21   0.003% *  0.1816% (0.26   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   23  17.03 +/- 0.45   0.001% *  0.2637% (0.37   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    ALA   91  17.43 +/- 1.90   0.001% *  0.2109% (0.30   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   39  21.08 +/- 0.72   0.000% *  0.6096% (0.86   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   23  19.72 +/- 0.41   0.000% *  0.3383% (0.48   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   THR   39  20.76 +/- 0.54   0.000% *  0.3730% (0.53   0.02   0.02) =   0.000%
        T HA    THR   39 - QG2   THR   23  20.27 +/- 0.48   0.000% *  0.3451% (0.49   0.02   0.02) =   0.000%
        T HA    ILE  103 - QG2   THR   23  19.87 +/- 0.44   0.000% *  0.2506% (0.35   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   39  25.27 +/- 0.71   0.000% *  0.6028% (0.85   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   39  24.46 +/- 0.65   0.000% *  0.3730% (0.53   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    ALA   91  23.24 +/- 1.09   0.000% *  0.2904% (0.41   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   23  22.22 +/- 2.74   0.000% *  0.1680% (0.24   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   91  31.03 +/- 2.22   0.000% *  0.1414% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 3.0, residual support = 38.4:
    * O T HB    THR   39 - QG2   THR   39   2.17 +/- 0.01  90.817% * 93.0895% (0.87   3.00  38.38) =  99.943%  kept
          HB3   SER   37 - QG2   THR   39   4.26 +/- 1.16   7.602% *  0.5989% (0.84   0.02   3.48) =   0.054%
          HA    ILE   89 - QB    ALA   91   5.57 +/- 0.92   0.635% *  0.2828% (0.40   0.02   7.85) =   0.002%
          HD3   PRO   52 - QB    ALA   91   6.20 +/- 2.28   0.777% *  0.0905% (0.13   0.02   0.02) =   0.001%
          HB3   SER   82 - QG2   THR   23   6.87 +/- 0.82   0.133% *  0.2909% (0.41   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   39  11.79 +/- 2.12   0.007% *  0.6192% (0.87   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   39   9.06 +/- 0.81   0.018% *  0.1547% (0.22   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   23  13.89 +/- 0.49   0.001% *  0.3361% (0.47   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   23  11.06 +/- 0.18   0.005% *  0.0868% (0.12   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   39  14.68 +/- 0.57   0.001% *  0.4015% (0.56   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   91  13.67 +/- 0.17   0.001% *  0.2448% (0.34   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   91  15.11 +/- 0.86   0.001% *  0.1896% (0.26   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   23  17.37 +/- 1.28   0.000% *  0.3475% (0.49   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR   23  17.77 +/- 0.46   0.000% *  0.3361% (0.47   0.02   0.02) =   0.000%
        T HB    THR   39 - QG2   THR   23  18.38 +/- 0.76   0.000% *  0.3482% (0.49   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   39  19.87 +/- 0.61   0.000% *  0.5184% (0.72   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   39  22.21 +/- 0.98   0.000% *  0.5989% (0.84   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   23  18.65 +/- 0.55   0.000% *  0.1075% (0.15   0.02   0.02) =   0.000%
        T HB    THR   39 - QB    ALA   91  22.48 +/- 1.11   0.000% *  0.2931% (0.41   0.02   0.02) =   0.000%
          HB3   SER   37 - QB    ALA   91  23.52 +/- 1.05   0.000% *  0.2828% (0.40   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   23  22.94 +/- 0.22   0.000% *  0.2253% (0.31   0.02   0.02) =   0.000%
          QB    SER   13 - QB    ALA   91  24.34 +/- 0.79   0.000% *  0.2924% (0.41   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    ALA   91  19.84 +/- 0.56   0.000% *  0.0731% (0.10   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   39  23.69 +/- 0.91   0.000% *  0.1915% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 5.32, residual support = 108.7:
    * O T HB2   LEU   40 - HA    LEU   40   2.78 +/- 0.27  92.642% * 97.4101% (1.00   5.32 108.68) =  99.988%  kept
          HB3   GLU-  14 - HA    GLU-  15   4.54 +/- 0.54   7.014% *  0.1441% (0.39   0.02   1.36) =   0.011%
          HB    VAL   18 - HA    GLU-  15   9.08 +/- 0.18   0.082% *  0.1010% (0.28   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    LEU   40  11.08 +/- 0.20   0.026% *  0.2931% (0.80   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HA    ASN   35   9.86 +/- 0.72   0.054% *  0.1372% (0.37   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    LEU   40   9.05 +/- 0.56   0.094% *  0.0565% (0.15   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HA    GLU-  15  14.01 +/- 1.28   0.009% *  0.2960% (0.81   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    GLU-  15  10.44 +/- 0.73   0.039% *  0.0457% (0.12   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU   40  12.92 +/- 0.92   0.010% *  0.1249% (0.34   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLU-  15  13.02 +/- 1.59   0.014% *  0.0914% (0.25   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    ASN   35  14.39 +/- 0.50   0.005% *  0.1099% (0.30   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    LEU   40  18.26 +/- 1.39   0.002% *  0.1782% (0.49   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  15  19.13 +/- 0.76   0.001% *  0.2370% (0.65   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ASN   35  17.05 +/- 0.94   0.002% *  0.0468% (0.13   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    ASN   35  19.19 +/- 1.79   0.001% *  0.0668% (0.18   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    ASN   35  15.42 +/- 0.81   0.004% *  0.0212% (0.06   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU-  15  23.07 +/- 0.78   0.000% *  0.1795% (0.49   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    LEU   40  24.60 +/- 3.54   0.000% *  0.1130% (0.31   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU   40  25.67 +/- 0.33   0.000% *  0.2220% (0.61   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    ASN   35  25.32 +/- 3.82   0.000% *  0.0424% (0.12   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    ASN   35  30.32 +/- 0.66   0.000% *  0.0832% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 0.95, support = 5.6, residual support = 108.7:
    * O T HB3   LEU   40 - HA    LEU   40   2.54 +/- 0.35  80.442% * 71.5793% (1.00   5.61 108.68) =  92.029%  kept
      O T HG    LEU   40 - HA    LEU   40   3.27 +/- 0.16  19.309% * 25.8283% (0.38   5.40 108.68) =   7.971%  kept
          HG    LEU   67 - HA    LEU   40   9.42 +/- 1.24   0.045% *  0.1241% (0.49   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU-  15  11.77 +/- 1.99   0.055% *  0.1004% (0.39   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ASN   35   9.73 +/- 0.70   0.040% *  0.0956% (0.37   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU-  15  10.28 +/- 1.16   0.029% *  0.0459% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU-  15  12.00 +/- 0.56   0.009% *  0.1085% (0.43   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    GLU-  15  10.90 +/- 0.42   0.015% *  0.0573% (0.22   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU-  15  14.48 +/- 1.37   0.004% *  0.2062% (0.81   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LEU   40  14.49 +/- 0.55   0.003% *  0.2354% (0.92   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ASN   35  10.40 +/- 0.61   0.020% *  0.0359% (0.14   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU   40  15.06 +/- 0.42   0.002% *  0.1342% (0.53   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU   40  13.66 +/- 1.48   0.007% *  0.0447% (0.18   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    GLU-  15  13.97 +/- 1.37   0.003% *  0.0774% (0.30   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU   40  14.21 +/- 0.34   0.003% *  0.0709% (0.28   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    LEU   40  18.62 +/- 1.03   0.001% *  0.2354% (0.92   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ASN   35  12.72 +/- 0.24   0.006% *  0.0266% (0.10   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    LEU   40  17.04 +/- 1.01   0.001% *  0.0957% (0.38   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ASN   35  16.08 +/- 1.28   0.002% *  0.0465% (0.18   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU-  15  19.84 +/- 0.47   0.000% *  0.1904% (0.75   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU   40  16.87 +/- 0.46   0.001% *  0.0568% (0.22   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    GLU-  15  22.11 +/- 1.05   0.000% *  0.1904% (0.75   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ASN   35  17.88 +/- 0.37   0.001% *  0.0503% (0.20   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ASN   35  20.66 +/- 0.60   0.000% *  0.0883% (0.35   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    GLU-  15  21.41 +/- 0.89   0.000% *  0.0774% (0.30   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ASN   35  25.14 +/- 1.05   0.000% *  0.0883% (0.35   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ASN   35  20.48 +/- 1.57   0.000% *  0.0167% (0.07   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ASN   35  23.32 +/- 1.10   0.000% *  0.0359% (0.14   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU-  15  23.69 +/- 1.27   0.000% *  0.0361% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ASN   35  22.27 +/- 0.82   0.000% *  0.0213% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 5.32, residual support = 108.7:
    * O T HA    LEU   40 - HB2   LEU   40   2.78 +/- 0.27  95.296% * 97.7131% (1.00   5.32 108.68) =  99.996%  kept
          HA    LYS+  99 - HB2   LEU   40   4.84 +/- 0.40   4.107% *  0.0916% (0.25   0.02  12.46) =   0.004%
        T HA    ASN   35 - HB2   LEU   40   9.86 +/- 0.72   0.056% *  0.1378% (0.38   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   40  10.58 +/- 0.36   0.037% *  0.1378% (0.38   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   40  11.64 +/- 0.90   0.020% *  0.1932% (0.53   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   LEU   67   9.05 +/- 0.56   0.097% *  0.0338% (0.09   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   LEU   40  14.01 +/- 1.28   0.009% *  0.3474% (0.95   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   67   8.07 +/- 0.75   0.216% *  0.0127% (0.03   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   LEU   67  10.44 +/- 0.73   0.040% *  0.0320% (0.09   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   40  13.71 +/- 0.95   0.009% *  0.1378% (0.38   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   67   9.97 +/- 0.47   0.051% *  0.0178% (0.05   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   40  18.21 +/- 0.37   0.001% *  0.3544% (0.97   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   67  12.35 +/- 0.61   0.014% *  0.0327% (0.09   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   40  19.76 +/- 1.74   0.001% *  0.3474% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   LEU   67  11.45 +/- 0.77   0.025% *  0.0084% (0.02   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   40  18.69 +/- 0.41   0.001% *  0.1510% (0.41   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   40  20.27 +/- 0.30   0.001% *  0.1646% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   67  16.73 +/- 1.19   0.003% *  0.0320% (0.09   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   67  14.58 +/- 0.50   0.005% *  0.0139% (0.04   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   67  15.11 +/- 0.65   0.004% *  0.0127% (0.03   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   67  15.42 +/- 0.81   0.004% *  0.0127% (0.03   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   67  17.92 +/- 0.45   0.001% *  0.0152% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 396 (1.94, 1.94, 42.31 ppm):
    2 diagonal assignments:
    *     HB2   LEU   40 - HB2   LEU   40  (1.00)  kept
          HB2   LEU   67 - HB2   LEU   67  (0.01)  kept
 
    Peak 397 (1.48, 1.94, 42.31 ppm):
    20 chemical-shift based assignments, quality = 0.967, support = 4.28, residual support = 108.1:
    * O T HB3   LEU   40 - HB2   LEU   40   1.75 +/- 0.00  82.732% * 66.5906% (1.00   4.27 108.68) =  94.959%  kept
      O   HG    LEU   40 - HB2   LEU   40   2.58 +/- 0.22   9.285% * 28.4202% (0.38   4.86 108.68) =   4.548%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.66 +/- 0.24   7.869% *  3.6320% (0.04   5.19  62.04) =   0.493%
          HG    LEU   67 - HB2   LEU   40   7.17 +/- 1.67   0.044% *  0.1518% (0.49   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HB2   LEU   67   7.44 +/- 0.91   0.020% *  0.0287% (0.09   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU   67   6.61 +/- 0.79   0.036% *  0.0108% (0.03   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   40  13.02 +/- 0.55   0.001% *  0.2878% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   67   8.38 +/- 0.67   0.008% *  0.0064% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   40  12.72 +/- 1.65   0.001% *  0.0546% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   40  15.28 +/- 0.55   0.000% *  0.1641% (0.53   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  11.49 +/- 0.55   0.001% *  0.0265% (0.09   0.02   0.02) =   0.000%
          HG    LEU  115 - HB2   LEU   40  17.66 +/- 1.00   0.000% *  0.2878% (0.92   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   40  15.23 +/- 0.43   0.000% *  0.0867% (0.28   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   40  16.33 +/- 0.93   0.000% *  0.1170% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   40  15.22 +/- 0.87   0.000% *  0.0694% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   67  12.11 +/- 0.68   0.001% *  0.0151% (0.05   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  14.18 +/- 1.03   0.000% *  0.0265% (0.09   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  13.50 +/- 0.91   0.000% *  0.0108% (0.03   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   67  13.64 +/- 1.19   0.000% *  0.0050% (0.02   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   67  14.94 +/- 0.36   0.000% *  0.0080% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.41 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 = 5.61, residual support = 108.7:
    * O T HA    LEU   40 - HB3   LEU   40   2.54 +/- 0.35  90.646% * 97.7728% (1.00   5.61 108.68) =  99.993%  kept
          HA    LYS+  99 - HB3   LEU   40   4.34 +/- 1.14   6.309% *  0.0869% (0.25   0.02  12.46) =   0.006%
          HA    ILE   56 - HB3   LEU  115   5.08 +/- 0.44   2.857% *  0.0168% (0.05   0.02   0.02) =   0.001%
        T HA    ASN   35 - HB3   LEU   40   9.73 +/- 0.70   0.051% *  0.1307% (0.38   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU   40  11.82 +/- 0.98   0.018% *  0.1833% (0.53   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU   40  10.79 +/- 0.25   0.021% *  0.1307% (0.38   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  115   9.22 +/- 0.48   0.063% *  0.0394% (0.11   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU   40  14.48 +/- 1.37   0.005% *  0.3295% (0.95   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU   40  14.09 +/- 0.97   0.006% *  0.1307% (0.38   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU   40  18.35 +/- 0.82   0.001% *  0.3361% (0.97   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU  115  11.93 +/- 0.55   0.012% *  0.0183% (0.05   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU   40  20.28 +/- 1.83   0.001% *  0.3295% (0.95   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU   40  18.62 +/- 0.60   0.001% *  0.1432% (0.41   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU  115  14.16 +/- 0.46   0.004% *  0.0215% (0.06   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU   40  20.09 +/- 0.35   0.001% *  0.1562% (0.45   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   LEU  115  17.04 +/- 1.01   0.002% *  0.0409% (0.12   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU  115  16.31 +/- 0.89   0.002% *  0.0153% (0.04   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU  115  21.41 +/- 0.89   0.000% *  0.0387% (0.11   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  115  18.34 +/- 0.81   0.001% *  0.0102% (0.03   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU  115  23.32 +/- 1.10   0.000% *  0.0153% (0.04   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  115  28.09 +/- 1.20   0.000% *  0.0387% (0.11   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU  115  26.03 +/- 0.98   0.000% *  0.0153% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 4.27, residual support = 108.7:
    * O T HB2   LEU   40 - HB3   LEU   40   1.75 +/- 0.00  99.970% * 98.5546% (1.00   4.27 108.68) = 100.000%  kept
        T HB2   LEU   67 - HB3   LEU   40   7.44 +/- 0.91   0.025% *  0.0712% (0.15   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU   40  11.96 +/- 0.30   0.001% *  0.3695% (0.80   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  12.60 +/- 1.40   0.001% *  0.1574% (0.34   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU  115  11.49 +/- 0.79   0.001% *  0.0434% (0.09   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.86 +/- 0.47   0.001% *  0.0328% (0.07   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU   40  18.18 +/- 1.55   0.000% *  0.2246% (0.49   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  13.35 +/- 0.95   0.001% *  0.0185% (0.04   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HB3   LEU  115  16.33 +/- 0.93   0.000% *  0.0541% (0.12   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  13.50 +/- 0.91   0.001% *  0.0084% (0.02   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU   40  24.18 +/- 3.69   0.000% *  0.1424% (0.31   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  25.20 +/- 0.65   0.000% *  0.2799% (0.61   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU  115  24.95 +/- 1.36   0.000% *  0.0264% (0.06   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU  115  32.36 +/- 2.73   0.000% *  0.0167% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 400 (1.48, 1.48, 42.31 ppm):
    2 diagonal assignments:
    *     HB3   LEU   40 - HB3   LEU   40  (1.00)  kept
          HB3   LEU  115 - HB3   LEU  115  (0.04)  kept
 
    Peak 401 (4.88, 4.88, 60.22 ppm):
    1 diagonal assignment:
    *     HA    VAL   41 - HA    VAL   41  (1.00)  kept
 
    Peak 402 (1.84, 4.88, 60.22 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 4.0, residual support = 70.8:
    * O T HB    VAL   41 - HA    VAL   41   2.63 +/- 0.35  99.640% * 95.5774% (0.69   4.00  70.85) =  99.999%  kept
          QB    LYS+  33 - HA    VAL   41   7.63 +/- 0.53   0.219% *  0.2147% (0.31   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    VAL   41   9.61 +/- 0.52   0.046% *  0.5811% (0.84   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    VAL   41  10.72 +/- 0.31   0.029% *  0.2860% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    VAL   41  11.40 +/- 0.31   0.019% *  0.3386% (0.49   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    VAL   41  11.75 +/- 0.18   0.016% *  0.3386% (0.49   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    VAL   41  12.88 +/- 0.64   0.009% *  0.3660% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    VAL   41  11.72 +/- 0.37   0.017% *  0.1218% (0.18   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    VAL   41  16.24 +/- 0.92   0.002% *  0.6896% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    VAL   41  21.74 +/- 0.94   0.000% *  0.6896% (0.99   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    VAL   41  18.97 +/- 0.62   0.001% *  0.1735% (0.25   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    VAL   41  21.47 +/- 0.81   0.000% *  0.3119% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    VAL   41  20.42 +/- 0.40   0.001% *  0.1377% (0.20   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    VAL   41  23.61 +/- 0.47   0.000% *  0.1735% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 403 (0.76, 4.88, 60.22 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 4.01, residual support = 68.8:
    * O T QG1   VAL   41 - HA    VAL   41   2.90 +/- 0.23  79.587% * 70.4185% (1.00   4.08  70.85) =  96.972%  kept
          QG1   VAL   43 - HA    VAL   41   4.55 +/- 0.45   6.067% * 28.4788% (0.95   1.74   3.13) =   2.990%  kept
          QD2   LEU   73 - HA    VAL   41   4.14 +/- 0.56  13.820% *  0.1547% (0.45   0.02   0.62) =   0.037%
          HG    LEU   31 - HA    VAL   41   9.14 +/- 1.10   0.158% *  0.2093% (0.61   0.02   0.02) =   0.001%
        T QG2   VAL   18 - HA    VAL   41   9.12 +/- 0.62   0.104% *  0.2638% (0.76   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   41   8.85 +/- 0.38   0.115% *  0.1065% (0.31   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   41   8.50 +/- 0.28   0.131% *  0.0683% (0.20   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   41  12.47 +/- 0.43   0.013% *  0.2233% (0.65   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   41  14.91 +/- 0.38   0.005% *  0.0768% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 3.89, residual support = 70.8:
    * O T QG2   VAL   41 - HA    VAL   41   2.41 +/- 0.26  98.716% * 98.7310% (1.00   3.89  70.85) =  99.994%  kept
          QD2   LEU   98 - HA    VAL   41   5.20 +/- 0.47   1.225% *  0.4805% (0.95   0.02  17.95) =   0.006%
          QD2   LEU   63 - HA    VAL   41   8.89 +/- 0.80   0.055% *  0.3081% (0.61   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    VAL   41  14.12 +/- 0.82   0.003% *  0.4805% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 405 (4.88, 1.84, 34.57 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.0, residual support = 70.8:
    * O T HA    VAL   41 - HB    VAL   41   2.63 +/- 0.35  99.980% * 99.3013% (0.69   4.00  70.85) = 100.000%  kept
          HA    PHE   45 - HB    VAL   41  12.75 +/- 0.63   0.012% *  0.3011% (0.42   0.02   0.02) =   0.000%
          HA    HIS  122 - HB    VAL   41  13.65 +/- 0.74   0.008% *  0.3976% (0.55   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 406 (1.84, 1.84, 34.57 ppm):
    1 diagonal assignment:
    *     HB    VAL   41 - HB    VAL   41  (0.47)  kept
 
    Peak 407 (0.76, 1.84, 34.57 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 3.83, residual support = 70.8:
    * O T QG1   VAL   41 - HB    VAL   41   2.14 +/- 0.01  95.233% * 97.8819% (0.69   3.83  70.85) =  99.980%  kept
          QG1   VAL   43 - HB    VAL   41   4.14 +/- 0.65   2.926% *  0.4838% (0.65   0.02   3.13) =   0.015%
          QD2   LEU   73 - HB    VAL   41   4.65 +/- 0.92   1.659% *  0.2293% (0.31   0.02   0.62) =   0.004%
          HG    LEU   31 - HB    VAL   41   7.63 +/- 1.18   0.122% *  0.3102% (0.42   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   41   8.30 +/- 0.78   0.033% *  0.1012% (0.14   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB    VAL   41  10.50 +/- 0.73   0.008% *  0.3909% (0.52   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   41   9.35 +/- 0.99   0.017% *  0.1579% (0.21   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   41  12.92 +/- 0.54   0.002% *  0.3309% (0.44   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   41  15.77 +/- 0.70   0.001% *  0.1139% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 0.684, support = 3.8, residual support = 67.1:
    * O T QG2   VAL   41 - HB    VAL   41   2.14 +/- 0.01  83.667% * 71.5900% (0.69   3.97  70.85) =  92.945%  kept
          QD2   LEU   98 - HB    VAL   41   3.51 +/- 1.05  16.325% * 27.8500% (0.65   1.63  17.95) =   7.055%  kept
          QD2   LEU   63 - HB    VAL   41  10.49 +/- 0.81   0.007% *  0.2188% (0.42   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB    VAL   41  13.22 +/- 0.78   0.002% *  0.3412% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 3.89, residual support = 70.8:
    * O T HA    VAL   41 - QG2   VAL   41   2.41 +/- 0.26  99.958% * 99.2813% (1.00   3.89  70.85) = 100.000%  kept
          HA    PHE   45 - QG2   VAL   41   9.54 +/- 0.34   0.034% *  0.3098% (0.61   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   41  12.11 +/- 0.53   0.008% *  0.4090% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 3.97, residual support = 70.8:
    * O T HB    VAL   41 - QG2   VAL   41   2.14 +/- 0.01  99.543% * 95.5444% (0.69   3.97  70.85) =  99.999%  kept
          QB    LYS+  33 - QG2   VAL   41   5.71 +/- 0.47   0.318% *  0.2163% (0.31   0.02   0.02) =   0.001%
          HG12  ILE  103 - QG2   VAL   41   7.33 +/- 0.95   0.089% *  0.5854% (0.84   0.02   0.02) =   0.001%
          HB    ILE  103 - QG2   VAL   41   9.39 +/- 0.69   0.016% *  0.3412% (0.49   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   VAL   41   9.90 +/- 0.50   0.011% *  0.2881% (0.41   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   VAL   41   9.57 +/- 0.59   0.013% *  0.1227% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   41  11.33 +/- 0.27   0.005% *  0.3412% (0.49   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   VAL   41  12.94 +/- 0.54   0.002% *  0.3688% (0.53   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   41  15.56 +/- 0.75   0.001% *  0.6947% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   41  17.94 +/- 0.88   0.000% *  0.6947% (0.99   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   41  15.43 +/- 0.57   0.001% *  0.1748% (0.25   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   VAL   41  15.16 +/- 0.38   0.001% *  0.1387% (0.20   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   VAL   41  17.97 +/- 0.68   0.000% *  0.3142% (0.45   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   VAL   41  18.22 +/- 0.54   0.000% *  0.1748% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 0.97, support = 3.4, residual support = 55.8:
    * O T QG1   VAL   41 - QG2   VAL   41   2.10 +/- 0.02  53.586% * 61.3396% (1.00   3.84  70.85) =  77.947%  kept
          QG1   VAL   43 - QG2   VAL   41   2.54 +/- 0.54  26.231% * 29.7776% (0.95   1.97   3.13) =  18.523%  kept
          QD2   LEU   73 - QG2   VAL   41   2.95 +/- 0.69  18.552% *  8.0057% (0.45   1.12   0.62) =   3.522%  kept
          HG    LEU   31 - QG2   VAL   41   5.20 +/- 0.98   1.542% *  0.1937% (0.61   0.02   0.02) =   0.007%
        T QG2   VAL   18 - QG2   VAL   41   7.99 +/- 0.52   0.019% *  0.2440% (0.76   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   41   6.92 +/- 0.33   0.042% *  0.0986% (0.31   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QG2   VAL   41   7.86 +/- 0.34   0.020% *  0.0632% (0.20   0.02   0.02) =   0.000%
          QG2   THR   46 - QG2   VAL   41   9.85 +/- 0.38   0.005% *  0.2066% (0.65   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   41  12.80 +/- 0.41   0.001% *  0.0711% (0.22   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 = 4.19, residual support = 86.8:
    * O T HB    VAL   42 - HA    VAL   42   2.86 +/- 0.22  96.853% * 95.0030% (0.87   4.20  86.85) =  99.990%  kept
          QB    LEU   98 - HA    VAL   42   5.83 +/- 0.35   1.635% *  0.3990% (0.76   0.02   0.26) =   0.007%
          HG3   LYS+ 106 - HA    VAL   42   7.52 +/- 0.84   0.398% *  0.2956% (0.57   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    VAL   42   7.96 +/- 0.26   0.224% *  0.4181% (0.80   0.02   3.07) =   0.001%
        T HB2   LYS+ 112 - HA    PHE   55   6.70 +/- 0.69   0.771% *  0.0844% (0.16   0.02   0.68) =   0.001%
          HB3   LYS+  74 - HA    VAL   42  10.81 +/- 0.36   0.037% *  0.2542% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    VAL   42  12.81 +/- 0.80   0.013% *  0.4820% (0.92   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    VAL   42  11.81 +/- 0.93   0.023% *  0.2341% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    VAL   42  13.48 +/- 0.58   0.010% *  0.3990% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    VAL   42  13.87 +/- 0.43   0.008% *  0.4529% (0.87   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    VAL   42  15.23 +/- 0.42   0.005% *  0.1612% (0.31   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    VAL   42  19.45 +/- 1.48   0.001% *  0.5039% (0.97   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HA    VAL   42  18.21 +/- 0.45   0.002% *  0.3587% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    PHE   55  15.28 +/- 0.88   0.005% *  0.1066% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    PHE   55  15.44 +/- 0.51   0.004% *  0.0598% (0.11   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    PHE   55  17.15 +/- 0.39   0.002% *  0.1066% (0.20   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   55  19.38 +/- 0.33   0.001% *  0.0984% (0.19   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   55  18.99 +/- 0.78   0.001% *  0.0696% (0.13   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   55  18.60 +/- 1.42   0.002% *  0.0551% (0.11   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    PHE   55  21.03 +/- 0.36   0.001% *  0.0939% (0.18   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    PHE   55  25.03 +/- 2.28   0.000% *  0.1186% (0.23   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   55  21.78 +/- 0.65   0.001% *  0.0379% (0.07   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    PHE   55  27.97 +/- 0.69   0.000% *  0.1134% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   55  29.59 +/- 0.68   0.000% *  0.0939% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 86.8:
    * O T QG1   VAL   42 - HA    VAL   42   2.39 +/- 0.19  98.526% * 98.6947% (0.97   4.00  86.85) =  99.999%  kept
          HG2   LYS+ 112 - HA    PHE   55   5.15 +/- 0.53   1.350% *  0.0827% (0.16   0.02   0.68) =   0.001%
        T QB    ALA   64 - HA    VAL   42   7.72 +/- 0.36   0.097% *  0.1012% (0.20   0.02   0.02) =   0.000%
        T QB    ALA   47 - HA    PHE   55  11.05 +/- 0.67   0.013% *  0.1201% (0.23   0.02   0.02) =   0.000%
        T QB    ALA   47 - HA    VAL   42  14.66 +/- 0.18   0.002% *  0.5102% (1.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HA    PHE   55  12.63 +/- 0.26   0.005% *  0.1161% (0.23   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    VAL   42  16.90 +/- 1.32   0.001% *  0.3512% (0.69   0.02   0.02) =   0.000%
        T QB    ALA   64 - HA    PHE   55  12.29 +/- 0.31   0.006% *  0.0238% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 86.8:
    * O T QG2   VAL   42 - HA    VAL   42   2.58 +/- 0.46  99.800% * 99.3871% (0.80   4.00  86.85) =  99.999%  kept
          QG2   VAL   75 - HA    VAL   42   7.81 +/- 0.36   0.190% *  0.4015% (0.65   0.02   0.02) =   0.001%
        T QG2   VAL   42 - HA    PHE   55  14.24 +/- 0.63   0.007% *  0.1170% (0.19   0.02   0.02) =   0.000%
          QG2   VAL   75 - HA    PHE   55  15.54 +/- 0.49   0.003% *  0.0945% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (4.44, 1.39, 32.90 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 4.19, residual support = 86.8:
    * O T HA    VAL   42 - HB    VAL   42   2.86 +/- 0.22  98.265% * 97.3307% (0.87   4.20  86.85) =  99.997%  kept
        T HA    PHE   55 - HB2   LYS+ 112   6.70 +/- 0.69   0.784% *  0.1854% (0.35   0.02   0.68) =   0.002%
          HA    ALA  110 - HB2   LYS+ 112   6.49 +/- 0.38   0.823% *  0.0911% (0.17   0.02   0.02) =   0.001%
          HA    GLN   17 - HB    VAL   42   9.78 +/- 0.89   0.091% *  0.2814% (0.53   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   42  13.93 +/- 0.44   0.009% *  0.2441% (0.46   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   42  14.57 +/- 0.37   0.006% *  0.2814% (0.53   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LYS+ 112  13.82 +/- 0.57   0.009% *  0.1723% (0.32   0.02   0.02) =   0.000%
          HA    ALA  110 - HB    VAL   42  14.15 +/- 0.27   0.007% *  0.1290% (0.24   0.02   0.02) =   0.000%
        T HA    PHE   55 - HB    VAL   42  17.15 +/- 0.39   0.002% *  0.2627% (0.49   0.02   0.02) =   0.000%
        T HA    VAL   42 - HB2   LYS+ 112  18.21 +/- 0.45   0.002% *  0.3275% (0.61   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LYS+ 112  20.87 +/- 0.95   0.001% *  0.1986% (0.37   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL   42  20.47 +/- 0.65   0.001% *  0.1742% (0.33   0.02   0.02) =   0.000%
          HA    GLN   90 - HB2   LYS+ 112  20.14 +/- 1.13   0.001% *  0.1229% (0.23   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LYS+ 112  32.54 +/- 0.55   0.000% *  0.1986% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.755, support = 4.69, residual support = 116.2:
    * O T QG1   VAL   42 - HB    VAL   42   2.11 +/- 0.02  76.531% * 54.8296% (0.84   4.20  86.85) =  80.358%  kept
      O T HG2   LYS+ 112 - HB2   LYS+ 112   2.62 +/- 0.24  23.181% * 44.2474% (0.42   6.74 236.33) =  19.642%  kept
          QB    ALA   64 - HB    VAL   42   5.62 +/- 0.63   0.284% *  0.0536% (0.17   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HB2   LYS+ 112  13.22 +/- 0.35   0.001% *  0.1845% (0.59   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB2   LYS+ 112  13.56 +/- 0.80   0.001% *  0.1907% (0.61   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  15.30 +/- 0.37   0.001% *  0.2703% (0.87   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  16.59 +/- 1.31   0.000% *  0.1861% (0.60   0.02   0.02) =   0.000%
          QB    ALA   64 - HB2   LYS+ 112  14.85 +/- 0.43   0.001% *  0.0378% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 4.14, residual support = 86.8:
    * O T QG2   VAL   42 - HB    VAL   42   2.13 +/- 0.01  99.978% * 99.0034% (0.69   4.14  86.85) = 100.000%  kept
          QG2   VAL   75 - HB    VAL   42   8.86 +/- 0.52   0.021% *  0.3864% (0.56   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HB2   LYS+ 112  14.85 +/- 0.45   0.001% *  0.3375% (0.49   0.02   0.02) =   0.000%
          QG2   VAL   75 - HB2   LYS+ 112  17.39 +/- 0.57   0.000% *  0.2727% (0.40   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 422 (1.39, 0.37, 21.48 ppm):
    24 chemical-shift based assignments, quality = 0.837, support = 4.19, residual support = 86.8:
    * O T HB    VAL   42 - QG1   VAL   42   2.11 +/- 0.02  99.655% * 92.4409% (0.84   4.20  86.85) =  99.999%  kept
          QB    LEU   98 - QG1   VAL   42   6.88 +/- 0.32   0.088% *  0.3883% (0.74   0.02   0.26) =   0.000%
          HB3   LEU   73 - QG1   VAL   42   7.22 +/- 0.35   0.066% *  0.4068% (0.77   0.02   3.07) =   0.000%
          HG3   LYS+ 106 - QG1   VAL   42   7.02 +/- 0.71   0.089% *  0.2876% (0.55   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG1   VAL   42   8.29 +/- 0.61   0.031% *  0.2473% (0.47   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG1   VAL   42   9.59 +/- 0.45   0.012% *  0.4407% (0.84   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG1   VAL   42   9.14 +/- 0.79   0.018% *  0.2278% (0.43   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   47   9.27 +/- 0.72   0.016% *  0.1354% (0.26   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    ALA   47   9.94 +/- 0.45   0.010% *  0.2136% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG1   VAL   42  12.22 +/- 0.65   0.003% *  0.4690% (0.89   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    ALA   47  12.81 +/- 0.34   0.002% *  0.3513% (0.67   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG1   VAL   42  13.19 +/- 0.37   0.002% *  0.3883% (0.74   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG1   VAL   42  13.22 +/- 0.35   0.002% *  0.3490% (0.66   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    ALA   47  13.56 +/- 0.80   0.002% *  0.3014% (0.57   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   42  15.91 +/- 1.21   0.001% *  0.4903% (0.93   0.02   0.02) =   0.000%
        T HB    VAL   42 - QB    ALA   47  15.30 +/- 0.37   0.001% *  0.3806% (0.72   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG1   VAL   42  13.36 +/- 0.46   0.002% *  0.1568% (0.30   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QB    ALA   47  15.24 +/- 0.76   0.001% *  0.2484% (0.47   0.02   0.02) =   0.000%
          QB    LEU   98 - QB    ALA   47  16.06 +/- 0.31   0.001% *  0.3353% (0.64   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QB    ALA   47  17.75 +/- 0.54   0.000% *  0.3806% (0.72   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QB    ALA   47  20.69 +/- 0.66   0.000% *  0.4050% (0.77   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    ALA   47  21.89 +/- 1.89   0.000% *  0.4234% (0.80   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   47  19.76 +/- 1.03   0.000% *  0.1967% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QB    ALA   47  23.58 +/- 0.58   0.000% *  0.3353% (0.64   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 86.8:
    * O T QG2   VAL   42 - QG1   VAL   42   2.05 +/- 0.06  99.905% * 98.8293% (0.77   4.00  86.85) = 100.000%  kept
          QG2   VAL   75 - QG1   VAL   42   7.02 +/- 0.46   0.068% *  0.3992% (0.62   0.02   0.02) =   0.000%
          QG2   VAL   75 - QB    ALA   47   8.18 +/- 0.29   0.026% *  0.3448% (0.54   0.02   0.02) =   0.000%
        T QG2   VAL   42 - QB    ALA   47  12.96 +/- 0.72   0.002% *  0.4267% (0.67   0.02   0.02) =   0.000%
    Distance limit 2.72 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 = 86.8:
    * O T HA    VAL   42 - QG2   VAL   42   2.58 +/- 0.46  99.683% * 98.5422% (0.80   4.00  86.85) =  99.999%  kept
          HA    GLN   17 - QG2   VAL   42   8.57 +/- 1.02   0.250% *  0.2988% (0.49   0.02   0.02) =   0.001%
          HA    THR   46 - QG2   VAL   42  11.86 +/- 0.80   0.025% *  0.2592% (0.42   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   VAL   42  12.33 +/- 0.47   0.012% *  0.2988% (0.49   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   VAL   42  11.64 +/- 0.40   0.020% *  0.1370% (0.22   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG2   VAL   42  14.24 +/- 0.63   0.007% *  0.2790% (0.45   0.02   0.02) =   0.000%
          HA    GLN   90 - QG2   VAL   42  17.34 +/- 1.07   0.002% *  0.1849% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 4.14, residual support = 86.8:
    * O T HB    VAL   42 - QG2   VAL   42   2.13 +/- 0.01  99.582% * 95.9489% (0.69   4.14  86.85) =  99.998%  kept
          QB    LEU   98 - QG2   VAL   42   6.39 +/- 0.87   0.188% *  0.4084% (0.61   0.02   0.26) =   0.001%
          HB3   LEU   73 - QG2   VAL   42   7.41 +/- 1.12   0.098% *  0.4279% (0.64   0.02   3.07) =   0.000%
          HG3   LYS+ 106 - QG2   VAL   42   7.85 +/- 1.26   0.062% *  0.3025% (0.45   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG2   VAL   42   9.16 +/- 1.31   0.026% *  0.2601% (0.39   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG2   VAL   42   9.59 +/- 0.79   0.014% *  0.4635% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   VAL   42   9.52 +/- 1.39   0.018% *  0.2396% (0.36   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG2   VAL   42  11.03 +/- 1.01   0.006% *  0.4933% (0.74   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG2   VAL   42  12.45 +/- 1.45   0.003% *  0.4084% (0.61   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   42  15.09 +/- 1.15   0.001% *  0.5157% (0.77   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG2   VAL   42  14.85 +/- 0.45   0.001% *  0.3670% (0.55   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   VAL   42  14.28 +/- 0.83   0.001% *  0.1649% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 86.8:
    * O T QG1   VAL   42 - QG2   VAL   42   2.05 +/- 0.06  99.020% * 99.0341% (0.77   4.00  86.85) =  99.999%  kept
          QB    ALA   64 - QG2   VAL   42   4.97 +/- 0.88   0.976% *  0.1015% (0.16   0.02   0.02) =   0.001%
        T QB    ALA   47 - QG2   VAL   42  12.96 +/- 0.72   0.002% *  0.5120% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QG2   VAL   42  13.60 +/- 1.17   0.001% *  0.3524% (0.55   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (0.15, 0.15, 20.83 ppm):
    1 diagonal assignment:
    *     QG2   VAL   42 - QG2   VAL   42  (0.64)  kept
 
    Peak 429 (4.67, 4.67, 60.29 ppm):
    1 diagonal assignment:
    *     HA    VAL   43 - HA    VAL   43  (1.00)  kept
 
    Peak 430 (1.77, 4.67, 60.29 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 60.0:
    * O T HB    VAL   43 - HA    VAL   43   2.99 +/- 0.12  99.959% * 98.4444% (0.97   3.30  60.03) = 100.000%  kept
          HB2   LYS+  99 - HA    VAL   43  12.60 +/- 0.81   0.019% *  0.6172% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    VAL   43  12.58 +/- 0.54   0.019% *  0.3254% (0.53   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    VAL   43  16.94 +/- 0.61   0.003% *  0.6131% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.869, support = 4.18, residual support = 56.3:
    * O T QG1   VAL   43 - HA    VAL   43   2.57 +/- 0.17  70.628% * 82.0584% (0.90   4.39  60.03) =  92.480%  kept
          QD2   LEU   73 - HA    VAL   43   3.91 +/- 1.38  28.658% * 16.4367% (0.53   1.50  10.58) =   7.516%  kept
          QG2   VAL   18 - HA    VAL   43   6.56 +/- 0.77   0.310% *  0.2861% (0.69   0.02   0.02) =   0.001%
          QG1   VAL   41 - HA    VAL   43   6.98 +/- 0.42   0.170% *  0.4129% (0.99   0.02   3.13) =   0.001%
          QG2   THR   46 - HA    VAL   43   7.19 +/- 0.44   0.140% *  0.2358% (0.57   0.02   0.02) =   0.001%
          HG    LEU   31 - HA    VAL   43   9.45 +/- 0.78   0.038% *  0.2861% (0.69   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   43   8.77 +/- 0.26   0.039% *  0.1039% (0.25   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   43  11.17 +/- 0.29   0.009% *  0.1158% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    VAL   43  11.63 +/- 0.20   0.007% *  0.0643% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (0.06, 4.67, 60.29 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 60.0:
    * O T QG2   VAL   43 - HA    VAL   43   2.35 +/- 0.08  99.694% * 99.0348% (0.69   3.00  60.03) =  99.998%  kept
        T QD2   LEU   31 - HA    VAL   43   6.28 +/- 0.23   0.280% *  0.6979% (0.73   0.02   0.02) =   0.002%
          QG2   VAL   83 - HA    VAL   43   9.31 +/- 0.27   0.026% *  0.2672% (0.28   0.02   0.02) =   0.000%
    Distance limit 5.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.67, 1.77, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.3, residual support = 60.0:
    * O T HA    VAL   43 - HB    VAL   43   2.99 +/- 0.12  99.925% * 98.8491% (0.97   3.30  60.03) = 100.000%  kept
          HA    HIS   22 - HB    VAL   43  12.06 +/- 0.56   0.025% *  0.4799% (0.77   0.02   0.02) =   0.000%
          HA    LEU   71 - HB    VAL   43  10.75 +/- 0.41   0.047% *  0.1334% (0.21   0.02   0.02) =   0.000%
          HA    ASN   69 - HB    VAL   43  16.32 +/- 0.41   0.004% *  0.5375% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 3.75, residual support = 60.0:
    * O T QG1   VAL   43 - HB    VAL   43   2.12 +/- 0.01  96.933% * 97.5986% (0.87   3.75  60.03) =  99.990%  kept
          QD2   LEU   73 - HB    VAL   43   5.53 +/- 1.50   2.815% *  0.3053% (0.51   0.02  10.58) =   0.009%
        T QG1   VAL   41 - HB    VAL   43   6.52 +/- 0.62   0.165% *  0.5751% (0.96   0.02   3.13) =   0.001%
          HG    LEU   31 - HB    VAL   43   8.84 +/- 0.79   0.023% *  0.3985% (0.66   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   43   8.34 +/- 0.41   0.028% *  0.3285% (0.55   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB    VAL   43   9.01 +/- 0.75   0.020% *  0.3985% (0.66   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   43  10.46 +/- 0.48   0.007% *  0.1447% (0.24   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   43  11.73 +/- 0.33   0.003% *  0.1613% (0.27   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   43  10.71 +/- 0.27   0.006% *  0.0895% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 436 (0.06, 1.77, 34.62 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 2.89, residual support = 60.0:
    * O T QG2   VAL   43 - HB    VAL   43   2.13 +/- 0.01  99.699% * 98.9993% (0.66   2.89  60.03) =  99.998%  kept
        T QD2   LEU   31 - HB    VAL   43   5.91 +/- 0.45   0.263% *  0.7236% (0.70   0.02   0.02) =   0.002%
          QG2   VAL   83 - HB    VAL   43   7.97 +/- 0.37   0.038% *  0.2771% (0.27   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 4.39, residual support = 60.0:
    * O T HA    VAL   43 - QG1   VAL   43   2.57 +/- 0.17  99.792% * 99.1334% (0.90   4.39  60.03) = 100.000%  kept
          HA    LEU   71 - QG1   VAL   43   7.49 +/- 0.59   0.166% *  0.1005% (0.20   0.02   0.02) =   0.000%
          HA    HIS   22 - QG1   VAL   43   9.83 +/- 0.50   0.034% *  0.3614% (0.72   0.02   0.02) =   0.000%
          HA    ASN   69 - QG1   VAL   43  12.29 +/- 0.54   0.008% *  0.4047% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 3.75, residual support = 60.0:
    * O T HB    VAL   43 - QG1   VAL   43   2.12 +/- 0.01  99.979% * 98.6296% (0.87   3.75  60.03) = 100.000%  kept
          HB2   LYS+  99 - QG1   VAL   43   9.22 +/- 0.62   0.016% *  0.5437% (0.89   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   43  12.04 +/- 0.75   0.003% *  0.2867% (0.47   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   43  14.27 +/- 0.45   0.001% *  0.5400% (0.89   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 439 (0.76, 0.76, 21.16 ppm):
    1 diagonal assignment:
    *     QG1   VAL   43 - QG1   VAL   43  (0.80)  kept
 
    Peak 440 (0.06, 0.76, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.616, support = 3.87, residual support = 60.0:
    * O T QG2   VAL   43 - QG1   VAL   43   2.06 +/- 0.04  96.265% * 99.2513% (0.62   3.88  60.03) =  99.979%  kept
        T QD2   LEU   31 - QG1   VAL   43   3.65 +/- 0.40   3.675% *  0.5414% (0.65   0.02   0.02) =   0.021%
          QG2   VAL   83 - QG1   VAL   43   7.12 +/- 0.29   0.060% *  0.2073% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (1.77, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.663, support = 2.89, residual support = 60.0:
    * O T HB    VAL   43 - QG2   VAL   43   2.13 +/- 0.01  99.718% * 97.5444% (0.66   2.89  60.03) =  99.999%  kept
        T HB    VAL   43 - QD2   LEU   31   5.91 +/- 0.45   0.263% *  0.1935% (0.19   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QG2   VAL   43  11.64 +/- 0.62   0.004% *  0.6973% (0.69   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   VAL   43  12.41 +/- 0.48   0.003% *  0.6927% (0.68   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG2   VAL   43  12.09 +/- 0.51   0.003% *  0.3677% (0.36   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD2   LEU   31  11.07 +/- 0.79   0.006% *  0.2001% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   31  13.55 +/- 0.32   0.002% *  0.1987% (0.20   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU   31  12.90 +/- 0.77   0.002% *  0.1055% (0.10   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 0.51, support = 4.31, residual support = 96.7:
    * O T QG1   VAL   43 - QG2   VAL   43   2.06 +/- 0.04  48.959% * 73.3139% (0.62   3.88  60.03) =  78.011%  kept
      O T HG    LEU   31 - QD2   LEU   31   2.12 +/- 0.01  41.372% * 24.4138% (0.14   5.87 227.41) =  21.952%  kept
          QD2   LEU   73 - QG2   VAL   43   4.05 +/- 1.07   5.710% *  0.2219% (0.36   0.02  10.58) =   0.028%
        T QG1   VAL   43 - QD2   LEU   31   3.65 +/- 0.40   1.846% *  0.1085% (0.18   0.02   0.02) =   0.004%
          QG1   VAL   41 - QD2   LEU   31   4.40 +/- 0.42   0.601% *  0.1200% (0.20   0.02   0.02) =   0.002%
          QD2   LEU   73 - QD2   LEU   31   3.90 +/- 0.22   1.125% *  0.0637% (0.10   0.02   3.24) =   0.002%
          QG1   VAL   41 - QG2   VAL   43   6.29 +/- 0.38   0.068% *  0.4181% (0.68   0.02   3.13) =   0.001%
          QG2   THR   46 - QG2   VAL   43   5.82 +/- 0.41   0.107% *  0.2388% (0.39   0.02   0.02) =   0.001%
        T HG    LEU   31 - QG2   VAL   43   6.67 +/- 0.49   0.051% *  0.2898% (0.47   0.02   0.02) =   0.000%
          QG2   VAL   18 - QG2   VAL   43   6.80 +/- 0.60   0.045% *  0.2898% (0.47   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   31   6.14 +/- 0.34   0.075% *  0.0302% (0.05   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   43   7.61 +/- 0.38   0.020% *  0.1052% (0.17   0.02   0.02) =   0.000%
          QG2   VAL   18 - QD2   LEU   31   9.12 +/- 0.38   0.007% *  0.0831% (0.14   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.07 +/- 0.29   0.004% *  0.1173% (0.19   0.02   0.02) =   0.000%
          QG2   THR   46 - QD2   LEU   31   9.81 +/- 0.30   0.004% *  0.0685% (0.11   0.02   0.02) =   0.000%
          QD2   LEU  104 - QG2   VAL   43  10.49 +/- 0.21   0.003% *  0.0651% (0.11   0.02   0.02) =   0.000%
          QD2   LEU  104 - QD2   LEU   31  10.51 +/- 0.46   0.003% *  0.0187% (0.03   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  14.42 +/- 0.34   0.000% *  0.0337% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 34.9:
    * O T HB2   ASP-  44 - HA    ASP-  44   3.03 +/- 0.02  99.668% * 95.9658% (1.00   2.68  34.88) =  99.998%  kept
          HB3   PHE   72 - HA    ASP-  44   8.71 +/- 0.79   0.208% *  0.7019% (0.98   0.02   0.02) =   0.002%
          HG12  ILE  119 - HA    ASP-  44  11.87 +/- 0.54   0.029% *  0.4633% (0.65   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP-  44  10.90 +/- 1.11   0.072% *  0.1417% (0.20   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  44  13.71 +/- 0.67   0.012% *  0.6774% (0.95   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASP-  44  15.95 +/- 1.26   0.005% *  0.7019% (0.98   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASP-  44  18.46 +/- 1.42   0.002% *  0.7145% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  44  17.26 +/- 0.47   0.003% *  0.1991% (0.28   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASP-  44  25.68 +/- 1.73   0.000% *  0.4343% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (1.34, 4.29, 51.33 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 34.9:
    * O T HB3   ASP-  44 - HA    ASP-  44   2.41 +/- 0.08  99.609% * 95.3764% (1.00   3.31  34.88) =  99.998%  kept
          HB3   PRO   93 - HA    ASP-  44   6.90 +/- 0.75   0.235% *  0.4404% (0.76   0.02   0.02) =   0.001%
          HB2   LEU   63 - HA    ASP-  44   8.57 +/- 0.28   0.050% *  0.5648% (0.98   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ASP-  44  10.01 +/- 1.39   0.026% *  0.5168% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASP-  44   8.82 +/- 0.90   0.053% *  0.1283% (0.22   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ASP-  44  11.47 +/- 0.20   0.009% *  0.4614% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASP-  44  11.91 +/- 0.44   0.007% *  0.5320% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASP-  44  12.78 +/- 0.31   0.005% *  0.4184% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ASP-  44  14.71 +/- 0.39   0.002% *  0.4614% (0.80   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ASP-  44  17.26 +/- 0.55   0.001% *  0.5561% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ASP-  44  16.28 +/- 0.42   0.001% *  0.2584% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASP-  44  14.17 +/- 0.45   0.002% *  0.0889% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ASP-  44  20.27 +/- 0.82   0.000% *  0.1966% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 34.9:
    * O T HA    ASP-  44 - HB2   ASP-  44   3.03 +/- 0.02  98.422% * 95.0659% (1.00   2.68  34.88) =  99.998%  kept
          HA    ALA   57 - HB2   ASP-  44   6.12 +/- 0.27   1.507% *  0.1242% (0.18   0.02   0.02) =   0.002%
          HB    THR   77 - HB2   ASP-  44  11.41 +/- 0.35   0.035% *  0.7031% (0.99   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  44  13.82 +/- 0.37   0.011% *  0.6711% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ASP-  44  14.16 +/- 0.33   0.010% *  0.4303% (0.61   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ASP-  44  15.04 +/- 0.46   0.007% *  0.2916% (0.41   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ASP-  44  16.85 +/- 0.34   0.003% *  0.3732% (0.53   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ASP-  44  18.98 +/- 0.31   0.002% *  0.7031% (0.99   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ASP-  44  18.19 +/- 0.92   0.002% *  0.2662% (0.38   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ASP-  44  19.87 +/- 0.30   0.001% *  0.3180% (0.45   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ASP-  44  26.12 +/- 2.25   0.000% *  0.7078% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  44  23.64 +/- 1.12   0.000% *  0.3453% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 2.28, residual support = 34.9:
    * O T HB3   ASP-  44 - HB2   ASP-  44   1.75 +/- 0.00  99.957% * 93.4305% (1.00   2.28  34.88) = 100.000%  kept
          HB2   LEU   63 - HB2   ASP-  44   7.35 +/- 0.41   0.019% *  0.8026% (0.98   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  44   7.77 +/- 0.85   0.018% *  0.6257% (0.76   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  44  11.52 +/- 1.36   0.002% *  0.7343% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   ASP-  44  11.98 +/- 0.35   0.001% *  0.7558% (0.92   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  44  12.13 +/- 0.27   0.001% *  0.6556% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB2   ASP-  44  11.42 +/- 0.82   0.001% *  0.1823% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   ASP-  44  14.66 +/- 0.36   0.000% *  0.5946% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   ASP-  44  15.13 +/- 0.42   0.000% *  0.6556% (0.80   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   ASP-  44  17.71 +/- 0.39   0.000% *  0.7902% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   ASP-  44  17.01 +/- 0.49   0.000% *  0.3671% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  44  14.56 +/- 0.47   0.000% *  0.1263% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   ASP-  44  20.69 +/- 1.10   0.000% *  0.2793% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.29, 1.34, 38.87 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 34.9:
    * O T HA    ASP-  44 - HB3   ASP-  44   2.41 +/- 0.08  99.658% * 95.9671% (1.00   3.31  34.88) = 100.000%  kept
          HA    ALA   57 - HB3   ASP-  44   6.28 +/- 0.25   0.326% *  0.1015% (0.18   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   ASP-  44  12.12 +/- 0.22   0.006% *  0.5747% (0.99   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  44  12.82 +/- 0.37   0.005% *  0.5485% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   ASP-  44  15.55 +/- 0.29   0.001% *  0.3517% (0.61   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   ASP-  44  15.37 +/- 0.52   0.002% *  0.2384% (0.41   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   ASP-  44  16.47 +/- 0.23   0.001% *  0.3051% (0.53   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   ASP-  44  19.73 +/- 0.22   0.000% *  0.5747% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  44  19.09 +/- 0.85   0.000% *  0.2176% (0.38   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   ASP-  44  20.42 +/- 0.24   0.000% *  0.2600% (0.45   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  44  26.88 +/- 2.25   0.000% *  0.5785% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  44  24.42 +/- 0.95   0.000% *  0.2822% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 2.28, residual support = 34.9:
    * O T HB2   ASP-  44 - HB3   ASP-  44   1.75 +/- 0.00  99.967% * 95.2953% (1.00   2.28  34.88) = 100.000%  kept
          HB3   PHE   72 - HB3   ASP-  44   7.19 +/- 0.88   0.029% *  0.8186% (0.98   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP-  44  10.47 +/- 0.58   0.002% *  0.5402% (0.65   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   ASP-  44  14.61 +/- 1.22   0.000% *  0.8186% (0.98   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   ASP-  44  15.19 +/- 0.68   0.000% *  0.7900% (0.95   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP-  44  12.57 +/- 0.90   0.001% *  0.1653% (0.20   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   ASP-  44  17.15 +/- 1.44   0.000% *  0.8333% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP-  44  17.64 +/- 0.53   0.000% *  0.2322% (0.28   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   ASP-  44  24.36 +/- 1.72   0.000% *  0.5065% (0.61   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 453 (1.34, 1.34, 38.87 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  44 - HB3   ASP-  44  (1.00)  kept
 
    Peak 454 (4.86, 4.86, 58.73 ppm):
    1 diagonal assignment:
    *     HA    PHE   45 - HA    PHE   45  (1.00)  kept
 
    Peak 455 (3.05, 4.86, 58.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 77.2:
    * O T HB2   PHE   45 - HA    PHE   45   3.07 +/- 0.00  99.622% * 99.2086% (1.00   3.31  77.24) =  99.999%  kept
          HB2   CYS   21 - HA    PHE   45   7.85 +/- 0.33   0.370% *  0.2248% (0.38   0.02   0.02) =   0.001%
          QE    LYS+ 111 - HA    PHE   45  14.75 +/- 0.48   0.008% *  0.5666% (0.95   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 456 (2.42, 4.86, 58.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.2:
    * O T HB3   PHE   45 - HA    PHE   45   2.63 +/- 0.02  99.952% * 98.3890% (1.00   4.00  77.24) = 100.000%  kept
          HB    VAL  107 - HA    PHE   45  10.21 +/- 0.82   0.032% *  0.3760% (0.76   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    PHE   45  13.73 +/- 0.56   0.005% *  0.4919% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    PHE   45  13.32 +/- 0.56   0.006% *  0.2395% (0.49   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    PHE   45  18.75 +/- 0.37   0.001% *  0.3182% (0.65   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    PHE   45  16.83 +/- 0.96   0.002% *  0.1095% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    PHE   45  15.72 +/- 0.26   0.002% *  0.0759% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 457 (4.86, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 77.2:
    * O T HA    PHE   45 - HB2   PHE   45   3.07 +/- 0.00  99.985% * 99.4859% (1.00   3.31  77.24) = 100.000%  kept
          HA    VAL   41 - HB2   PHE   45  13.66 +/- 0.23   0.013% *  0.3643% (0.61   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   PHE   45  18.74 +/- 0.30   0.002% *  0.1498% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 458 (3.05, 3.05, 39.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   45 - HB2   PHE   45  (1.00)  kept
 
    Peak 459 (2.42, 3.05, 39.30 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 77.2:
    * O T HB3   PHE   45 - HB2   PHE   45   1.75 +/- 0.00  99.988% * 98.0611% (1.00   3.31  77.24) = 100.000%  kept
          HB    VAL  107 - HB2   PHE   45   8.29 +/- 0.81   0.010% *  0.4525% (0.76   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   PHE   45  13.03 +/- 0.49   0.001% *  0.5921% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   PHE   45  13.37 +/- 0.75   0.001% *  0.2882% (0.49   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   PHE   45  16.07 +/- 0.34   0.000% *  0.0914% (0.15   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   PHE   45  20.89 +/- 0.40   0.000% *  0.3830% (0.65   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   45  18.13 +/- 1.04   0.000% *  0.1318% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (4.86, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.2:
    * O T HA    PHE   45 - HB3   PHE   45   2.63 +/- 0.02  99.996% * 99.5739% (1.00   4.00  77.24) = 100.000%  kept
          HA    VAL   41 - HB3   PHE   45  14.54 +/- 0.21   0.004% *  0.3020% (0.61   0.02   0.02) =   0.000%
          HA    HIS  122 - HB3   PHE   45  20.34 +/- 0.30   0.000% *  0.1241% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 461 (3.05, 2.42, 39.30 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 77.2:
    * O T HB2   PHE   45 - HB3   PHE   45   1.75 +/- 0.00  99.997% * 99.2086% (1.00   3.31  77.24) = 100.000%  kept
          HB2   CYS   21 - HB3   PHE   45  10.01 +/- 0.28   0.003% *  0.2248% (0.38   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   PHE   45  13.59 +/- 0.64   0.000% *  0.5666% (0.95   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 462 (2.42, 2.42, 39.30 ppm):
    1 diagonal assignment:
    *     HB3   PHE   45 - HB3   PHE   45  (1.00)  kept
 
    Peak 463 (4.42, 4.42, 58.68 ppm):
    3 diagonal assignments:
    *     HA    THR   46 - HA    THR   46  (1.00)  kept
          HA    SER   37 - HA    SER   37  (0.98)  kept
          HA    SER   13 - HA    SER   13  (0.39)  kept
 
    Peak 464 (3.44, 4.42, 58.68 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HB    THR   46 - HA    THR   46   2.51 +/- 0.11  99.992% * 96.3985% (1.00   3.00  34.52) = 100.000%  kept
          HA    LYS+ 112 - HA    THR   46  12.93 +/- 0.36   0.006% *  0.4158% (0.65   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   37  17.72 +/- 0.78   0.001% *  0.5711% (0.89   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    THR   46  20.17 +/- 0.45   0.000% *  0.5764% (0.90   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   13  22.50 +/- 1.25   0.000% *  0.3488% (0.54   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   37  25.35 +/- 0.65   0.000% *  0.6368% (0.99   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   13  25.04 +/- 1.06   0.000% *  0.3890% (0.61   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   37  29.78 +/- 0.56   0.000% *  0.4120% (0.64   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   13  30.66 +/- 1.16   0.000% *  0.2516% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.28 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   3.14 +/- 0.26  99.036% * 92.3982% (1.00   3.00  34.52) =  99.995%  kept
          QG1   VAL   41 - HA    SER   37   7.91 +/- 0.55   0.455% *  0.3948% (0.64   0.02   0.02) =   0.002%
          QG2   VAL   18 - HA    THR   46   9.59 +/- 0.59   0.132% *  0.6038% (0.98   0.02   0.02) =   0.001%
          QG1   VAL   43 - HA    THR   46  10.04 +/- 0.45   0.096% *  0.5145% (0.84   0.02   0.02) =   0.001%
          QD1   ILE   19 - HA    SER   13  10.47 +/- 1.40   0.098% *  0.3114% (0.51   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    SER   37  12.17 +/- 0.54   0.033% *  0.5098% (0.83   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   37  12.53 +/- 0.56   0.028% *  0.5098% (0.83   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   37  12.10 +/- 0.74   0.034% *  0.4193% (0.68   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   13  13.32 +/- 0.61   0.019% *  0.3654% (0.59   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    THR   46  14.08 +/- 0.57   0.013% *  0.5145% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    THR   46  15.01 +/- 0.51   0.009% *  0.3985% (0.65   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   37  16.23 +/- 0.55   0.006% *  0.5983% (0.97   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   37  13.22 +/- 0.50   0.020% *  0.0942% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    THR   46  18.25 +/- 0.18   0.003% *  0.4231% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    SER   13  17.09 +/- 1.47   0.005% *  0.2412% (0.39   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   13  17.85 +/- 1.11   0.003% *  0.3114% (0.51   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   37  20.61 +/- 0.31   0.001% *  0.6103% (0.99   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   13  19.73 +/- 0.89   0.002% *  0.3728% (0.61   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    THR   46  16.84 +/- 0.34   0.004% *  0.0950% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   13  22.34 +/- 1.36   0.001% *  0.2561% (0.42   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   13  21.20 +/- 1.93   0.001% *  0.0575% (0.09   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 466 (4.42, 3.44, 70.99 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HA    THR   46 - HB    THR   46   2.51 +/- 0.11  99.968% * 96.8633% (1.00   3.00  34.52) = 100.000%  kept
          HA    PRO   58 - HB    THR   46  10.61 +/- 0.76   0.019% *  0.3917% (0.61   0.02   0.02) =   0.000%
          HA    VAL   42 - HB    THR   46  12.22 +/- 0.67   0.008% *  0.3398% (0.53   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    THR   46  14.12 +/- 0.60   0.003% *  0.6401% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    THR   46  18.67 +/- 0.57   0.001% *  0.4178% (0.65   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    THR   46  18.67 +/- 0.63   0.001% *  0.2895% (0.45   0.02   0.02) =   0.000%
        T HA    SER   37 - HB    THR   46  25.35 +/- 0.65   0.000% *  0.6401% (0.99   0.02   0.02) =   0.000%
        T HA    SER   13 - HB    THR   46  25.04 +/- 1.06   0.000% *  0.4178% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 467 (3.44, 3.44, 70.99 ppm):
    1 diagonal assignment:
    *     HB    THR   46 - HB    THR   46  (1.00)  kept
 
    Peak 468 (0.75, 3.44, 70.99 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T QG2   THR   46 - HB    THR   46   2.17 +/- 0.01  99.930% * 97.3149% (1.00   3.00  34.52) = 100.000%  kept
          QG2   VAL   18 - HB    THR   46   7.82 +/- 0.58   0.051% *  0.6359% (0.98   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    THR   46   9.50 +/- 0.36   0.015% *  0.5419% (0.84   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    THR   46  12.89 +/- 0.65   0.002% *  0.5419% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    THR   46  14.32 +/- 0.67   0.001% *  0.4197% (0.65   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    THR   46  17.70 +/- 0.58   0.000% *  0.4456% (0.69   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    THR   46  16.44 +/- 0.51   0.001% *  0.1001% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.12 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   3.14 +/- 0.26  99.642% * 96.8635% (1.00   3.00  34.52) =  99.998%  kept
          HA    PRO   58 - QG2   THR   46   9.14 +/- 0.59   0.190% *  0.3917% (0.61   0.02   0.02) =   0.001%
          HA    GLN   17 - QG2   THR   46  10.98 +/- 0.47   0.060% *  0.6400% (0.99   0.02   0.02) =   0.000%
          HA    VAL   42 - QG2   THR   46  10.37 +/- 0.48   0.086% *  0.3397% (0.53   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG2   THR   46  14.56 +/- 0.39   0.011% *  0.4177% (0.65   0.02   0.02) =   0.000%
          HA    LEU   40 - QG2   THR   46  15.59 +/- 0.43   0.007% *  0.2895% (0.45   0.02   0.02) =   0.000%
        T HA    SER   37 - QG2   THR   46  20.61 +/- 0.31   0.001% *  0.6400% (0.99   0.02   0.02) =   0.000%
        T HA    SER   13 - QG2   THR   46  19.73 +/- 0.89   0.002% *  0.4177% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (3.44, 0.75, 18.88 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HB    THR   46 - QG2   THR   46   2.17 +/- 0.01  99.995% * 98.9813% (1.00   3.00  34.52) = 100.000%  kept
          HA    LYS+ 112 - QG2   THR   46  11.78 +/- 0.64   0.004% *  0.4269% (0.65   0.02   0.02) =   0.000%
          HB2   HIS  122 - QG2   THR   46  16.11 +/- 0.69   0.001% *  0.5918% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 471 (0.75, 0.75, 18.88 ppm):
    1 diagonal assignment:
    *     QG2   THR   46 - QG2   THR   46  (1.00)  kept
 
    Peak 472 (4.56, 4.56, 52.00 ppm):
    1 diagonal assignment:
    *     HA    ALA   47 - HA    ALA   47  (1.00)  kept
 
    Peak 473 (0.37, 4.56, 52.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.0, residual support = 10.6:
    * O T QB    ALA   47 - HA    ALA   47   2.13 +/- 0.02  99.996% * 98.2324% (0.95   2.00  10.61) = 100.000%  kept
        T QG1   VAL   42 - HA    ALA   47  12.95 +/- 0.28   0.002% *  0.9008% (0.87   0.02   0.02) =   0.000%
          QB    ALA   64 - HA    ALA   47  14.16 +/- 0.44   0.001% *  0.3205% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    ALA   47  16.29 +/- 0.85   0.001% *  0.5463% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 0.917, support = 2.04, residual support = 10.4:
    * O T HA    ALA   47 - QB    ALA   47   2.13 +/- 0.02  90.099% * 61.1785% (0.95   2.00  10.61) =  94.417%  kept
          HA    CYS   50 - QB    ALA   47   3.42 +/- 0.52   9.007% * 36.1726% (0.42   2.64   7.51) =   5.581%  kept
          HA    TRP   49 - QB    ALA   47   4.63 +/- 0.07   0.846% *  0.1701% (0.26   0.02  14.95) =   0.002%
          HA1   GLY  109 - QB    ALA   47   8.66 +/- 0.64   0.022% *  0.2515% (0.39   0.02   0.02) =   0.000%
          HA    VAL  108 - QG1   VAL   42  10.05 +/- 0.34   0.008% *  0.4593% (0.71   0.02   0.02) =   0.000%
          HA    VAL  108 - QB    ALA   47  11.78 +/- 0.68   0.003% *  0.5997% (0.93   0.02   0.02) =   0.000%
          HA1   GLY  109 - QG1   VAL   42  10.77 +/- 0.35   0.005% *  0.1926% (0.30   0.02   0.02) =   0.000%
        T HA    ALA   47 - QG1   VAL   42  12.95 +/- 0.28   0.002% *  0.4686% (0.72   0.02   0.02) =   0.000%
          HA    CYS   21 - QG1   VAL   42  11.35 +/- 0.44   0.004% *  0.0723% (0.11   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    ALA   47  12.43 +/- 0.51   0.002% *  0.0944% (0.15   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL   42  14.83 +/- 1.05   0.001% *  0.2101% (0.32   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL   42  17.10 +/- 0.38   0.000% *  0.1303% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 1.88, residual support = 9.72:
    * O T QB    SER   48 - HA    SER   48   2.32 +/- 0.08  99.094% * 89.3794% (1.00   1.88   9.72) =  99.997%  kept
        T QB    SER   85 - HB2   SER   82   5.27 +/- 0.11   0.751% *  0.2540% (0.27   0.02   1.80) =   0.002%
          HA2   GLY   51 - HA    SER   48   7.70 +/- 0.73   0.095% *  0.8542% (0.90   0.02   0.02) =   0.001%
          HA2   GLY   16 - HA    VAL   70   9.97 +/- 1.31   0.028% *  0.1316% (0.14   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   48  13.75 +/- 0.28   0.002% *  0.9336% (0.98   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    VAL   70  10.31 +/- 0.55   0.014% *  0.1142% (0.12   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER   48  14.67 +/- 0.92   0.002% *  0.5777% (0.61   0.02   0.02) =   0.000%
        T QB    SER   48 - HB2   SER   82  14.41 +/- 0.61   0.002% *  0.4188% (0.44   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    VAL   70  15.17 +/- 0.39   0.001% *  0.2053% (0.22   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   SER   82  17.17 +/- 0.75   0.001% *  0.4105% (0.43   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    VAL   70  15.52 +/- 0.54   0.001% *  0.2003% (0.21   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    VAL   70  11.63 +/- 0.22   0.006% *  0.0335% (0.04   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER   48  15.54 +/- 0.83   0.001% *  0.1470% (0.15   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   48  20.81 +/- 1.08   0.000% *  0.5011% (0.53   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   48  21.96 +/- 0.64   0.000% *  0.6162% (0.65   0.02   0.02) =   0.000%
        T HA2   GLY   16 - HA    SER   48  21.97 +/- 1.22   0.000% *  0.5777% (0.61   0.02   0.02) =   0.000%
          HB    THR   94 - HA    VAL   70  18.73 +/- 0.29   0.000% *  0.2127% (0.22   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    VAL   70  17.94 +/- 0.39   0.000% *  0.1404% (0.15   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   48  26.57 +/- 0.89   0.000% *  0.8793% (0.92   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   48  27.32 +/- 0.63   0.000% *  0.9010% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   SER   82  23.91 +/- 0.52   0.000% *  0.3756% (0.39   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    VAL   70  22.40 +/- 0.94   0.000% *  0.2170% (0.23   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   SER   82  27.47 +/- 0.76   0.000% *  0.2540% (0.27   0.02   0.02) =   0.000%
        T QB    SER  117 - HB2   SER   82  27.90 +/- 0.73   0.000% *  0.2709% (0.28   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    VAL   70  26.99 +/- 0.27   0.000% *  0.1946% (0.20   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    VAL   70  25.32 +/- 0.26   0.000% *  0.1316% (0.14   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   SER   82  28.16 +/- 0.80   0.000% *  0.2203% (0.23   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   SER   82  23.21 +/- 0.65   0.000% *  0.0646% (0.07   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   SER   82  31.51 +/- 0.85   0.000% *  0.3962% (0.42   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   SER   82  33.11 +/- 0.74   0.000% *  0.3866% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 478 (3.99, 3.94, 63.31 ppm):
    1 diagonal assignment:
          QB    SER   85 - QB    SER   85  (0.03)  kept
    Reference assignment not found: HA    SER   48 - QB    SER   48
 
    Peak 479 (3.94, 3.94, 63.31 ppm):
    3 diagonal assignments:
    *     QB    SER   48 - QB    SER   48  (1.00)  kept
          QB    SER  117 - QB    SER  117  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.15)  kept
 
    Peak 480 (4.58, 4.58, 54.06 ppm):
    2 diagonal assignments:
    *     HA    TRP   49 - HA    TRP   49  (1.00)  kept
          HA    CYS   50 - HA    CYS   50  (0.89)  kept
 
    Peak 481 (3.69, 4.58, 54.06 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.92, residual support = 80.9:
    * O T HB2   TRP   49 - HA    TRP   49   2.47 +/- 0.12  98.202% * 95.8710% (1.00   3.92  80.86) =  99.991%  kept
        T HB2   TRP   49 - HA    CYS   50   5.10 +/- 0.59   1.772% *  0.4606% (0.94   0.02   3.23) =   0.009%
        T HA2   GLY  109 - HA    CYS   50  11.50 +/- 0.57   0.010% *  0.3688% (0.75   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    CYS   50  13.93 +/- 0.49   0.003% *  0.4357% (0.89   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    TRP   49  14.81 +/- 0.29   0.002% *  0.4623% (0.95   0.02   0.02) =   0.000%
        T HA2   GLY  109 - HA    TRP   49  15.80 +/- 0.66   0.002% *  0.3913% (0.80   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    CYS   50  13.30 +/- 1.03   0.004% *  0.0623% (0.13   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    TRP   49  14.11 +/- 0.26   0.003% *  0.0661% (0.14   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    CYS   50  20.84 +/- 1.00   0.000% *  0.4565% (0.93   0.02   0.02) =   0.000%
          HA    THR  118 - HA    CYS   50  21.47 +/- 0.83   0.000% *  0.4565% (0.93   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    TRP   49  24.23 +/- 0.33   0.000% *  0.4844% (0.99   0.02   0.02) =   0.000%
          HA    THR  118 - HA    TRP   49  25.32 +/- 0.25   0.000% *  0.4844% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 4.08, residual support = 80.9:
    * O T HB3   TRP   49 - HA    TRP   49   2.39 +/- 0.14  99.223% * 98.6440% (0.84   4.08  80.86) =  99.996%  kept
        T HB3   TRP   49 - HA    CYS   50   5.65 +/- 0.37   0.774% *  0.4557% (0.79   0.02   3.23) =   0.004%
          HB3   PHE   59 - HA    CYS   50  14.36 +/- 0.96   0.003% *  0.4368% (0.75   0.02   0.02) =   0.000%
          HB3   PHE   59 - HA    TRP   49  17.72 +/- 0.33   0.001% *  0.4635% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 483 (4.58, 3.69, 29.61 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.92, residual support = 80.9:
    * O T HA    TRP   49 - HB2   TRP   49   2.47 +/- 0.12  98.055% * 98.0117% (1.00   3.92  80.86) =  99.991%  kept
        T HA    CYS   50 - HB2   TRP   49   5.10 +/- 0.59   1.769% *  0.4726% (0.95   0.02   3.23) =   0.009%
          HA    ALA   47 - HB2   TRP   49   7.18 +/- 0.25   0.173% *  0.1389% (0.28   0.02  14.95) =   0.000%
        T HA1   GLY  109 - HB2   TRP   49  14.89 +/- 0.69   0.002% *  0.4821% (0.97   0.02   0.02) =   0.000%
          HA    CYS   21 - HB2   TRP   49  18.95 +/- 0.61   0.001% *  0.4726% (0.95   0.02   0.02) =   0.000%
          HA    VAL  108 - HB2   TRP   49  18.98 +/- 0.75   0.001% *  0.0989% (0.20   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   TRP   49  31.13 +/- 0.58   0.000% *  0.3232% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 80.9:
    * O T HB3   TRP   49 - HB2   TRP   49   1.75 +/- 0.00 100.000% * 99.3650% (0.84   3.00  80.86) = 100.000%  kept
          HB3   PHE   59 - HB2   TRP   49  19.02 +/- 0.42   0.000% *  0.6350% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.61 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 = 4.08, residual support = 80.9:
    * O T HA    TRP   49 - HB3   TRP   49   2.39 +/- 0.14  99.036% * 98.0868% (0.84   4.08  80.86) =  99.996%  kept
        T HA    CYS   50 - HB3   TRP   49   5.65 +/- 0.37   0.772% *  0.4547% (0.79   0.02   3.23) =   0.004%
          HA    ALA   47 - HB3   TRP   49   6.92 +/- 0.34   0.189% *  0.1337% (0.23   0.02  14.95) =   0.000%
          HA1   GLY  109 - HB3   TRP   49  15.33 +/- 1.13   0.002% *  0.4639% (0.81   0.02   0.02) =   0.000%
          HA    CYS   21 - HB3   TRP   49  18.29 +/- 1.08   0.001% *  0.4547% (0.79   0.02   0.02) =   0.000%
          HA    VAL  108 - HB3   TRP   49  19.33 +/- 1.07   0.000% *  0.0951% (0.17   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   TRP   49  31.09 +/- 0.76   0.000% *  0.3110% (0.54   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 80.9:
    * O T HB2   TRP   49 - HB3   TRP   49   1.75 +/- 0.00  99.999% * 97.4885% (0.84   3.00  80.86) = 100.000%  kept
          HA    ALA   84 - HB3   TRP   49  14.11 +/- 0.71   0.000% *  0.6148% (0.79   0.02   0.02) =   0.000%
          HA2   GLY  109 - HB3   TRP   49  16.17 +/- 1.40   0.000% *  0.5204% (0.67   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   TRP   49  14.55 +/- 0.61   0.000% *  0.0880% (0.11   0.02   0.02) =   0.000%
          HA    ILE  119 - HB3   TRP   49  25.47 +/- 0.88   0.000% *  0.6442% (0.83   0.02   0.02) =   0.000%
          HA    THR  118 - HB3   TRP   49  26.31 +/- 0.99   0.000% *  0.6442% (0.83   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 488 (3.15, 3.15, 29.61 ppm):
    1 diagonal assignment:
    *     HB3   TRP   49 - HB3   TRP   49  (0.70)  kept
 
    Peak 489 (4.58, 4.58, 54.04 ppm):
    2 diagonal assignments:
    *     HA    CYS   50 - HA    CYS   50  (1.00)  kept
          HA    TRP   49 - HA    TRP   49  (0.89)  kept
 
    Peak 490 (2.80, 4.58, 54.04 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 1.61, residual support = 6.79:
    * O T QB    CYS   50 - HA    CYS   50   2.39 +/- 0.15  98.386% * 93.3133% (1.00   1.61   6.79) =  99.983%  kept
        T QB    CYS   50 - HA    TRP   49   4.98 +/- 0.15   1.295% *  1.0939% (0.94   0.02   3.23) =   0.015%
          HB3   ASP-  78 - HA    TRP   49   7.02 +/- 0.72   0.226% *  0.3731% (0.32   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    CYS   50   8.32 +/- 0.71   0.073% *  0.3959% (0.34   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    CYS   50  10.79 +/- 1.07   0.013% *  1.1580% (1.00   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    TRP   49  12.18 +/- 0.62   0.006% *  1.0915% (0.94   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    CYS   50  18.73 +/- 1.76   0.000% *  0.3959% (0.34   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    TRP   49  20.36 +/- 0.97   0.000% *  0.3731% (0.32   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    CYS   50  29.75 +/- 1.43   0.000% *  0.9293% (0.80   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    TRP   49  31.59 +/- 0.56   0.000% *  0.8759% (0.75   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (4.58, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.978, support = 1.57, residual support = 6.64:
    * O T HA    CYS   50 - QB    CYS   50   2.39 +/- 0.15  94.273% * 66.0107% (1.00   1.61   6.79) =  97.814%  kept
          HA    ALA   47 - QB    CYS   50   4.22 +/- 0.48   4.441% * 31.0879% (0.45   1.69   7.51) =   2.170%
        T HA    TRP   49 - QB    CYS   50   4.98 +/- 0.15   1.229% *  0.7766% (0.95   0.02   3.23) =   0.015%
          HA1   GLY  109 - QB    CYS   50   8.94 +/- 0.98   0.048% *  0.8192% (1.00   0.02   0.02) =   0.001%
          HA    VAL  108 - QB    CYS   50  12.46 +/- 1.01   0.006% *  0.2801% (0.34   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    CYS   50  14.14 +/- 0.68   0.002% *  0.6574% (0.80   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    CYS   50  23.18 +/- 0.48   0.000% *  0.3681% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (2.80, 2.80, 44.93 ppm):
    1 diagonal assignment:
    *     QB    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 = 7.2, residual support = 206.7:
    * O T HA    PRO   52 - HD2   PRO   52   3.84 +/- 0.08  98.500% * 99.5353% (1.00   7.20 206.66) =  99.999%  kept
          HA    ALA   91 - HD2   PRO   52   8.86 +/- 1.62   1.324% *  0.0854% (0.31   0.02   0.02) =   0.001%
          HA    LYS+ 111 - HD2   PRO   52  11.40 +/- 0.68   0.155% *  0.1790% (0.65   0.02   0.02) =   0.000%
          HA    VAL  107 - HD2   PRO   52  16.34 +/- 0.92   0.018% *  0.0548% (0.20   0.02   0.02) =   0.000%
          HA    TRP   27 - HD2   PRO   52  23.06 +/- 1.20   0.002% *  0.1456% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 494 (2.63, 3.98, 51.93 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 206.7:
    * O T HB2   PRO   52 - HD2   PRO   52   3.66 +/- 0.22  99.987% * 99.7160% (1.00   6.61 206.66) = 100.000%  kept
          HB2   ASP-  62 - HD2   PRO   52  18.39 +/- 0.71   0.007% *  0.1708% (0.57   0.02   0.02) =   0.000%
        T HG2   MET   96 - HD2   PRO   52  19.58 +/- 1.39   0.006% *  0.1132% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.33 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 = 6.71, residual support = 206.6:
    * O T HB3   PRO   52 - HD2   PRO   52   4.06 +/- 0.12  91.667% * 98.2812% (1.00   6.71 206.66) =  99.991%  kept
          HG2   PRO   93 - HD2   PRO   52   6.75 +/- 1.07   6.630% *  0.0904% (0.31   0.02   0.02) =   0.007%
          HG2   ARG+  54 - HD2   PRO   52   8.25 +/- 0.62   1.387% *  0.1099% (0.38   0.02   0.02) =   0.002%
          HB3   GLN   90 - HD2   PRO   52  11.18 +/- 1.62   0.284% *  0.0580% (0.20   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   PRO   52  20.61 +/- 0.80   0.005% *  0.1658% (0.57   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   52  23.88 +/- 1.33   0.002% *  0.2627% (0.90   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   PRO   52  24.76 +/- 0.78   0.002% *  0.2929% (1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HD2   PRO   52  18.18 +/- 0.74   0.011% *  0.0452% (0.15   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   52  24.37 +/- 1.29   0.002% *  0.2239% (0.76   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   52  22.01 +/- 0.92   0.004% *  0.0999% (0.34   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   PRO   52  25.08 +/- 1.13   0.002% *  0.1204% (0.41   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   PRO   52  26.18 +/- 1.09   0.001% *  0.0730% (0.25   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   PRO   52  29.01 +/- 0.89   0.001% *  0.1313% (0.45   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   52  26.63 +/- 1.02   0.001% *  0.0452% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.07 A, kept.
 
    Peak 496 (2.32, 3.98, 51.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 206.7:
    * O T HG2   PRO   52 - HD2   PRO   52   2.44 +/- 0.25  99.114% * 98.8252% (1.00   6.60 206.66) =  99.998%  kept
          HG2   MET   92 - HD2   PRO   52   8.68 +/- 2.03   0.875% *  0.1938% (0.65   0.02   0.02) =   0.002%
          QG    GLU- 114 - HD2   PRO   52  13.37 +/- 0.73   0.005% *  0.2176% (0.73   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD2   PRO   52  15.59 +/- 0.98   0.002% *  0.2399% (0.80   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD2   PRO   52  13.75 +/- 0.34   0.004% *  0.0462% (0.15   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   52  29.65 +/- 1.07   0.000% *  0.2834% (0.95   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD2   PRO   52  35.04 +/- 1.26   0.000% *  0.1938% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (2.08, 3.98, 51.93 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 206.7:
    * O T HG3   PRO   52 - HD2   PRO   52   2.76 +/- 0.26  99.485% * 98.7996% (1.00   6.60 206.66) =  99.999%  kept
          HB2   PRO   93 - HD2   PRO   52   7.05 +/- 1.31   0.501% *  0.0925% (0.31   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HD2   PRO   52  12.23 +/- 0.40   0.014% *  0.2995% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   52  29.38 +/- 2.33   0.000% *  0.2969% (0.99   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   52  23.92 +/- 1.11   0.000% *  0.0462% (0.15   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   52  28.71 +/- 1.27   0.000% *  0.1124% (0.38   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   52  37.27 +/- 3.41   0.000% *  0.2936% (0.98   0.02   0.02) =   0.000%
        T QB    GLN   32 - HD2   PRO   52  28.01 +/- 1.18   0.000% *  0.0593% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 5.11, residual support = 206.7:
    * O T HB2   PRO   52 - HA    PRO   52   2.30 +/- 0.00  99.999% * 99.6327% (1.00   5.11 206.66) = 100.000%  kept
          HB2   ASP-  62 - HA    PRO   52  15.48 +/- 0.56   0.001% *  0.2209% (0.57   0.02   0.02) =   0.000%
        T HG2   MET   96 - HA    PRO   52  19.31 +/- 1.11   0.000% *  0.1464% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 6.09, residual support = 206.7:
    * O T HB3   PRO   52 - HA    PRO   52   2.73 +/- 0.00  98.494% * 98.1080% (1.00   6.09 206.66) =  99.998%  kept
          HG2   PRO   93 - HA    PRO   52   6.50 +/- 1.09   0.980% *  0.0995% (0.31   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HA    PRO   52   6.66 +/- 0.41   0.516% *  0.1210% (0.38   0.02   0.02) =   0.001%
          HB3   GLN   90 - HA    PRO   52  14.23 +/- 1.42   0.006% *  0.0638% (0.20   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    PRO   52  18.23 +/- 0.58   0.001% *  0.1826% (0.57   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   52  21.85 +/- 0.93   0.000% *  0.3224% (1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   52  23.47 +/- 1.06   0.000% *  0.2892% (0.90   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   52  20.43 +/- 0.81   0.001% *  0.1100% (0.34   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   52  23.75 +/- 0.93   0.000% *  0.2464% (0.76   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    PRO   52  20.47 +/- 0.45   0.001% *  0.0498% (0.15   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    PRO   52  24.57 +/- 0.90   0.000% *  0.1326% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    PRO   52  26.74 +/- 0.43   0.000% *  0.1446% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   52  25.85 +/- 0.60   0.000% *  0.0804% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   52  25.94 +/- 0.91   0.000% *  0.0498% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 206.7:
    * O T HG2   PRO   52 - HA    PRO   52   3.88 +/- 0.00  98.592% * 98.7054% (1.00   5.98 206.66) =  99.997%  kept
          HG2   MET   92 - HA    PRO   52  10.42 +/- 2.23   0.996% *  0.2136% (0.65   0.02   0.02) =   0.002%
          QG    GLU- 114 - HA    PRO   52  11.67 +/- 0.81   0.146% *  0.2398% (0.73   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PRO   52  10.53 +/- 0.36   0.252% *  0.0509% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    PRO   52  17.27 +/- 0.44   0.013% *  0.2644% (0.80   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   52  30.96 +/- 0.59   0.000% *  0.3123% (0.95   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    PRO   52  34.65 +/- 1.02   0.000% *  0.2136% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.19 A, kept.
 
    Peak 503 (2.08, 4.51, 65.44 ppm):
    8 chemical-shift based assignments, quality = 0.975, support = 0.0195, residual support = 201.4:
    * O T HG3   PRO   52 - HA    PRO   52   3.97 +/- 0.00  93.848% * 19.9700% (1.00   0.02 206.66) =  97.461%  kept
          HB2   PRO   93 - HA    PRO   52   6.88 +/- 1.14   5.358% *  6.1637% (0.31   0.02   0.02) =   1.717%
        T HG2   PRO   58 - HA    PRO   52   8.90 +/- 0.47   0.790% * 19.9700% (1.00   0.02   0.02) =   0.820%
          HB2   GLU-  14 - HA    PRO   52  28.37 +/- 1.93   0.001% * 19.7933% (0.99   0.02   0.02) =   0.001%
          HB2   PRO   68 - HA    PRO   52  26.61 +/- 1.08   0.001% *  7.4950% (0.38   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   52  35.89 +/- 3.30   0.000% * 19.5746% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   52  25.47 +/- 1.02   0.001% *  3.0813% (0.15   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   52  28.15 +/- 0.70   0.001% *  3.9520% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 20 structures by 0.75 A, eliminated.
    Peak unassigned.
 
    Peak 504 (3.98, 4.51, 65.44 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 0.02, residual support = 206.3:
    * O T HD2   PRO   52 - HA    PRO   52   3.84 +/- 0.08  99.748% * 15.7342% (1.00   0.02 206.66) =  99.824%  kept
          HA    SER   48 - HA    PRO   52  10.71 +/- 0.72   0.225% * 11.4254% (0.73   0.02   0.02) =   0.163%
          HA    ALA   88 - HA    PRO   52  20.24 +/- 0.74   0.005% * 14.5245% (0.92   0.02   0.02) =   0.004%
          HA    LYS+  65 - HA    PRO   52  20.79 +/- 0.39   0.004% *  8.9080% (0.57   0.02   0.02) =   0.002%
          HA    VAL   18 - HA    PRO   52  19.13 +/- 0.57   0.007% *  4.3747% (0.28   0.02   0.02) =   0.002%
          QB    SER   85 - HA    PRO   52  21.07 +/- 0.57   0.004% *  7.6587% (0.49   0.02   0.02) =   0.002%
          HA2   GLY   16 - HA    PRO   52  24.01 +/- 0.75   0.002% *  7.6587% (0.49   0.02   0.02) =   0.001%
          HA    ALA  120 - HA    PRO   52  21.36 +/- 0.67   0.003% *  3.1138% (0.20   0.02   0.02) =   0.001%
          HB2   SER   82 - HA    PRO   52  25.13 +/- 0.84   0.001% *  5.3671% (0.34   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    PRO   52  30.74 +/- 0.71   0.000% * 14.8839% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    PRO   52  29.96 +/- 0.62   0.000% *  3.9234% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    PRO   52  31.07 +/- 0.64   0.000% *  2.4277% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 20 structures by 0.53 A, eliminated.
    Peak unassigned.
 
    Peak 505 (4.51, 2.63, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.11, residual support = 206.7:
    * O T HA    PRO   52 - HB2   PRO   52   2.30 +/- 0.00  99.884% * 99.0433% (1.00   5.11 206.66) = 100.000%  kept
          HA    LYS+ 111 - HB2   PRO   52   8.32 +/- 0.91   0.057% *  0.2509% (0.65   0.02   0.02) =   0.000%
          HA    ALA   91 - HB2   PRO   52  10.59 +/- 1.32   0.014% *  0.1197% (0.31   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   MET   96   8.73 +/- 0.70   0.037% *  0.0225% (0.06   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   PRO   52  14.23 +/- 1.16   0.002% *  0.0768% (0.20   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   MET   96  13.74 +/- 0.78   0.002% *  0.0599% (0.15   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   MET   96  15.49 +/- 0.75   0.001% *  0.0737% (0.19   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   MET   96  14.67 +/- 0.72   0.002% *  0.0352% (0.09   0.02   0.02) =   0.000%
        T HA    PRO   52 - HG2   MET   96  19.31 +/- 1.11   0.000% *  0.1139% (0.29   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   PRO   52  24.16 +/- 0.84   0.000% *  0.2041% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 6.06, residual support = 206.7:
    * O T HB3   PRO   52 - HB2   PRO   52   1.75 +/- 0.00  99.041% * 97.4620% (1.00   6.06 206.66) =  99.999%  kept
          HG12  ILE  103 - HG2   MET   96   4.47 +/- 0.64   0.628% *  0.0848% (0.26   0.02   9.02) =   0.001%
          HG2   PRO   93 - HB2   PRO   52   5.61 +/- 1.26   0.232% *  0.0993% (0.31   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   MET   96   6.21 +/- 0.39   0.055% *  0.0389% (0.12   0.02   9.02) =   0.000%
          HB    VAL   41 - HG2   MET   96   8.58 +/- 1.47   0.019% *  0.0723% (0.22   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   52   8.86 +/- 0.37   0.006% *  0.1208% (0.38   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   MET   96   7.99 +/- 0.48   0.012% *  0.0323% (0.10   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   MET   96   9.60 +/- 0.39   0.004% *  0.0146% (0.05   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   52  13.37 +/- 1.61   0.001% *  0.0637% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   MET   96  13.58 +/- 0.56   0.000% *  0.0292% (0.09   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   MET   96  15.27 +/- 0.50   0.000% *  0.0535% (0.17   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   MET   96  17.25 +/- 1.38   0.000% *  0.0946% (0.29   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   52  19.15 +/- 0.74   0.000% *  0.1822% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   MET   96  14.52 +/- 0.99   0.000% *  0.0236% (0.07   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   MET   96  18.15 +/- 0.60   0.000% *  0.0946% (0.29   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   52  22.41 +/- 1.09   0.000% *  0.3219% (1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   52  23.04 +/- 1.30   0.000% *  0.2887% (0.90   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   52  20.20 +/- 1.04   0.000% *  0.1098% (0.34   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   52  24.08 +/- 1.23   0.000% *  0.2460% (0.76   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   PRO   52  23.97 +/- 1.18   0.000% *  0.1323% (0.41   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   52  20.44 +/- 0.66   0.000% *  0.0497% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   MET   96  17.64 +/- 0.90   0.000% *  0.0187% (0.06   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   MET   96  20.51 +/- 1.12   0.000% *  0.0424% (0.13   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   MET   96  20.57 +/- 0.78   0.000% *  0.0355% (0.11   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   MET   96  18.00 +/- 0.45   0.000% *  0.0146% (0.05   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PRO   52  27.93 +/- 0.60   0.000% *  0.1443% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   52  26.50 +/- 0.82   0.000% *  0.0803% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   52  25.61 +/- 1.15   0.000% *  0.0497% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.63 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 = 6.05, residual support = 206.7:
    * O T HG2   PRO   52 - HB2   PRO   52   2.31 +/- 0.00  99.776% * 98.2576% (1.00   6.05 206.66) = 100.000%  kept
          HG2   MET   92 - HB2   PRO   52   9.13 +/- 2.32   0.194% *  0.2100% (0.65   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   PRO   52  10.97 +/- 0.93   0.010% *  0.2358% (0.73   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   96  10.78 +/- 0.65   0.010% *  0.0693% (0.21   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PRO   52  12.21 +/- 0.44   0.005% *  0.0501% (0.15   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   96  13.75 +/- 1.27   0.003% *  0.0617% (0.19   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   PRO   52  17.88 +/- 0.56   0.000% *  0.2600% (0.80   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   96  16.88 +/- 0.74   0.001% *  0.0764% (0.24   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   MET   96  18.78 +/- 1.45   0.000% *  0.0954% (0.29   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   MET   96  19.56 +/- 0.98   0.000% *  0.0617% (0.19   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   MET   96  21.79 +/- 0.84   0.000% *  0.0902% (0.28   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB2   PRO   52  31.46 +/- 0.85   0.000% *  0.3071% (0.95   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   MET   96  19.49 +/- 0.37   0.000% *  0.0147% (0.05   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   PRO   52  35.20 +/- 1.20   0.000% *  0.2100% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 6.05, residual support = 206.7:
    * O T HG3   PRO   52 - HB2   PRO   52   2.96 +/- 0.00  98.648% * 98.2208% (1.00   6.05 206.66) =  99.998%  kept
          HB2   PRO   93 - HB2   PRO   52   6.84 +/- 1.37   1.260% *  0.1002% (0.31   0.02   0.02) =   0.001%
        T HG2   PRO   58 - HB2   PRO   52  10.23 +/- 0.50   0.060% *  0.3248% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   MET   96  12.87 +/- 0.64   0.015% *  0.0294% (0.09   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG2   MET   96  17.29 +/- 1.32   0.003% *  0.0954% (0.29   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   MET   96  17.95 +/- 0.54   0.002% *  0.0954% (0.29   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   MET   96  15.24 +/- 0.99   0.006% *  0.0189% (0.06   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   MET   96  16.68 +/- 1.05   0.003% *  0.0147% (0.05   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   MET   96  24.22 +/- 1.72   0.000% *  0.0946% (0.29   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   MET   96  20.55 +/- 0.82   0.001% *  0.0358% (0.11   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   52  29.94 +/- 1.88   0.000% *  0.3219% (0.99   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   52  27.89 +/- 1.12   0.000% *  0.1219% (0.38   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   52  25.67 +/- 1.19   0.000% *  0.0501% (0.15   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   52  37.53 +/- 3.21   0.000% *  0.3183% (0.98   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   52  28.56 +/- 0.95   0.000% *  0.0643% (0.20   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   MET   96  31.63 +/- 2.82   0.000% *  0.0935% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 6.61, residual support = 206.7:
    * O T HD2   PRO   52 - HB2   PRO   52   3.66 +/- 0.22  99.753% * 97.8619% (1.00   6.61 206.66) = 100.000%  kept
          HA    SER   48 - HB2   PRO   52  11.77 +/- 0.50   0.092% *  0.2150% (0.73   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   MET   96  15.16 +/- 1.10   0.024% *  0.0823% (0.28   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PRO   52  19.45 +/- 1.01   0.005% *  0.2733% (0.92   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   MET   96  14.34 +/- 0.57   0.032% *  0.0242% (0.08   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   MET   96  17.80 +/- 0.72   0.008% *  0.0803% (0.27   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG2   MET   96  19.58 +/- 1.39   0.006% *  0.0870% (0.29   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PRO   52  20.71 +/- 0.82   0.003% *  0.1441% (0.49   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   MET   96  17.12 +/- 0.36   0.010% *  0.0423% (0.14   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PRO   52  22.26 +/- 0.50   0.002% *  0.1676% (0.57   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   MET   96  19.09 +/- 0.44   0.005% *  0.0631% (0.21   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   PRO   52  20.35 +/- 0.77   0.004% *  0.0823% (0.28   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   MET   96  17.38 +/- 0.91   0.010% *  0.0297% (0.10   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   MET   96  19.09 +/- 0.53   0.005% *  0.0492% (0.17   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   MET   96  17.61 +/- 0.98   0.009% *  0.0217% (0.07   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   MET   96  17.44 +/- 0.45   0.009% *  0.0172% (0.06   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   MET   96  17.20 +/- 1.04   0.011% *  0.0134% (0.05   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   MET   96  20.79 +/- 0.91   0.003% *  0.0423% (0.14   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PRO   52  21.69 +/- 0.83   0.002% *  0.0586% (0.20   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PRO   52  25.54 +/- 0.77   0.001% *  0.1441% (0.49   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PRO   52  25.06 +/- 1.11   0.001% *  0.1010% (0.34   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PRO   52  31.08 +/- 1.01   0.000% *  0.2800% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PRO   52  30.53 +/- 0.90   0.000% *  0.0738% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PRO   52  31.72 +/- 0.91   0.000% *  0.0457% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.89 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 = 6.09, residual support = 206.7:
    * O T HA    PRO   52 - HB3   PRO   52   2.73 +/- 0.00  99.668% * 99.3512% (1.00   6.09 206.66) =  99.999%  kept
          HA    LYS+ 111 - HB3   PRO   52   7.71 +/- 0.58   0.224% *  0.2112% (0.65   0.02   0.02) =   0.000%
          HA    ALA   91 - HB3   PRO   52   9.61 +/- 1.30   0.072% *  0.1008% (0.31   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   PRO   52  12.88 +/- 0.98   0.010% *  0.0646% (0.20   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    LYS+  81  12.72 +/- 0.31   0.010% *  0.0197% (0.06   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    LYS+  81  12.17 +/- 1.00   0.014% *  0.0116% (0.04   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   PRO   52  22.59 +/- 0.93   0.000% *  0.1718% (0.53   0.02   0.02) =   0.000%
        T HA    PRO   52 - QB    LYS+  81  20.47 +/- 0.45   0.001% *  0.0375% (0.11   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QB    LYS+  81  23.76 +/- 0.31   0.000% *  0.0242% (0.07   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    LYS+  81  22.48 +/- 0.39   0.000% *  0.0074% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 6.06, residual support = 206.7:
    * O T HB2   PRO   52 - HB3   PRO   52   1.75 +/- 0.00 100.000% * 99.6170% (1.00   6.06 206.66) = 100.000%  kept
          HB2   ASP-  62 - HB3   PRO   52  15.53 +/- 0.67   0.000% *  0.1863% (0.57   0.02   0.02) =   0.000%
        T HG2   MET   96 - HB3   PRO   52  17.25 +/- 1.38   0.000% *  0.1235% (0.38   0.02   0.02) =   0.000%
        T HB2   PRO   52 - QB    LYS+  81  20.44 +/- 0.66   0.000% *  0.0377% (0.11   0.02   0.02) =   0.000%
        T HG2   MET   96 - QB    LYS+  81  18.00 +/- 0.45   0.000% *  0.0142% (0.04   0.02   0.02) =   0.000%
          HB2   ASP-  62 - QB    LYS+  81  26.07 +/- 0.35   0.000% *  0.0214% (0.06   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 6.11, residual support = 206.7:
    * O T HG2   PRO   52 - HB3   PRO   52   2.80 +/- 0.00  98.095% * 98.5531% (1.00   6.11 206.66) =  99.996%  kept
          HG2   MET   92 - HB3   PRO   52   8.13 +/- 2.25   1.530% *  0.2087% (0.65   0.02   0.02) =   0.003%
          QG    GLU- 114 - HB3   PRO   52  10.01 +/- 0.74   0.053% *  0.2342% (0.73   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    LYS+  81   7.48 +/- 0.16   0.275% *  0.0296% (0.09   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   PRO   52  11.55 +/- 0.46   0.021% *  0.0498% (0.15   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QB    LYS+  81  12.06 +/- 0.68   0.017% *  0.0350% (0.11   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   PRO   52  16.74 +/- 0.64   0.002% *  0.2583% (0.80   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    LYS+  81  14.60 +/- 1.74   0.006% *  0.0239% (0.07   0.02   0.02) =   0.000%
        T HG2   PRO   52 - QB    LYS+  81  18.91 +/- 0.76   0.001% *  0.0370% (0.11   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   52  30.06 +/- 0.95   0.000% *  0.3052% (0.95   0.02   0.02) =   0.000%
          QG    GLU- 114 - QB    LYS+  81  21.44 +/- 0.36   0.000% *  0.0269% (0.08   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   PRO   52  33.51 +/- 1.25   0.000% *  0.2087% (0.65   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    LYS+  81  24.31 +/- 0.73   0.000% *  0.0239% (0.07   0.02   0.02) =   0.000%
        T HB2   PRO   58 - QB    LYS+  81  24.83 +/- 0.43   0.000% *  0.0057% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 6.11, residual support = 206.7:
    * O T HG3   PRO   52 - HB3   PRO   52   2.31 +/- 0.00  97.345% * 98.5215% (1.00   6.11 206.66) =  99.997%  kept
        T HB2   PRO   93 - HB3   PRO   52   5.18 +/- 1.41   2.541% *  0.0996% (0.31   0.02   0.02) =   0.003%
        T HG2   PRO   58 - HB3   PRO   52   9.50 +/- 0.48   0.021% *  0.3227% (1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QB    LYS+  81   7.46 +/- 0.41   0.091% *  0.0057% (0.02   0.02   0.02) =   0.000%
        T HG3   PRO   52 - QB    LYS+  81  17.90 +/- 0.73   0.000% *  0.0370% (0.11   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   52  28.65 +/- 1.88   0.000% *  0.3198% (0.99   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    LYS+  81  16.45 +/- 0.68   0.001% *  0.0114% (0.04   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   52  26.53 +/- 1.14   0.000% *  0.1211% (0.38   0.02   0.02) =   0.000%
          QB    GLN   32 - QB    LYS+  81  17.04 +/- 0.47   0.001% *  0.0073% (0.02   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   52  24.28 +/- 1.28   0.000% *  0.0498% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QB    LYS+  81  24.47 +/- 1.85   0.000% *  0.0367% (0.11   0.02   0.02) =   0.000%
        T HG2   PRO   58 - QB    LYS+  81  24.21 +/- 0.40   0.000% *  0.0370% (0.11   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   52  36.32 +/- 3.13   0.000% *  0.3163% (0.98   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   52  27.07 +/- 1.00   0.000% *  0.0639% (0.20   0.02   0.02) =   0.000%
          HG2   MET   11 - QB    LYS+  81  32.09 +/- 3.04   0.000% *  0.0363% (0.11   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    LYS+  81  28.59 +/- 0.75   0.000% *  0.0139% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 516 (3.98, 1.84, 32.81 ppm):
    24 chemical-shift based assignments, quality = 0.777, support = 0.0197, residual support = 158.0:
    * O T HD2   PRO   52 - HB3   PRO   52   4.06 +/- 0.12  15.268% * 14.1151% (1.00   0.02 206.66) =  76.439%  kept
          QB    SER   85 - QB    LYS+  81   3.07 +/- 0.14  79.275% *  0.7881% (0.06   0.02   0.02) =  22.161%  kept
          HB2   SER   82 - QB    LYS+  81   5.09 +/- 0.58   4.860% *  0.5523% (0.04   0.02  19.05) =   0.952%
          HA    ALA   88 - QB    LYS+  81   7.09 +/- 0.21   0.525% *  1.4947% (0.11   0.02   0.02) =   0.278%
          HA    SER   48 - HB3   PRO   52  11.09 +/- 0.59   0.039% * 10.2496% (0.73   0.02   0.02) =   0.142%
          HA    ALA   88 - HB3   PRO   52  18.59 +/- 0.96   0.002% * 13.0298% (0.92   0.02   0.02) =   0.008%
          HA    SER   48 - QB    LYS+  81  12.86 +/- 0.93   0.017% *  1.1757% (0.08   0.02   0.02) =   0.007%
          QB    SER   85 - HB3   PRO   52  19.83 +/- 0.83   0.001% *  6.8705% (0.49   0.02   0.02) =   0.003%
          HA    LYS+  65 - HB3   PRO   52  21.04 +/- 0.60   0.001% *  7.9913% (0.57   0.02   0.02) =   0.002%
          HA    VAL   18 - HB3   PRO   52  18.87 +/- 0.87   0.002% *  3.9245% (0.28   0.02   0.02) =   0.002%
        T HD2   PRO   52 - QB    LYS+  81  18.18 +/- 0.74   0.002% *  1.6192% (0.11   0.02   0.02) =   0.001%
          HA    ALA  120 - HB3   PRO   52  20.61 +/- 0.73   0.001% *  2.7934% (0.20   0.02   0.02) =   0.001%
          HA2   GLY   16 - HB3   PRO   52  24.26 +/- 0.83   0.000% *  6.8705% (0.49   0.02   0.02) =   0.001%
        T HA    GLN   32 - QB    LYS+  81  19.49 +/- 0.34   0.001% *  1.5317% (0.11   0.02   0.02) =   0.001%
          HB2   SER   82 - HB3   PRO   52  23.79 +/- 1.16   0.000% *  4.8148% (0.34   0.02   0.02) =   0.001%
        T HA    GLN   32 - HB3   PRO   52  29.39 +/- 1.06   0.000% * 13.3523% (0.95   0.02   0.02) =   0.001%
        T HA    GLU-  29 - QB    LYS+  81  16.48 +/- 0.40   0.003% *  0.4037% (0.03   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  81  19.43 +/- 0.31   0.001% *  0.4502% (0.03   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB3   PRO   52  28.93 +/- 0.99   0.000% *  3.5196% (0.25   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB3   PRO   52  30.05 +/- 0.99   0.000% *  2.1779% (0.15   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    LYS+  81  26.25 +/- 0.44   0.000% *  0.9167% (0.06   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    LYS+  81  25.92 +/- 0.29   0.000% *  0.7881% (0.06   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QB    LYS+  81  21.56 +/- 0.42   0.001% *  0.2498% (0.02   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  81  30.99 +/- 0.33   0.000% *  0.3204% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 517 (4.51, 2.32, 28.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 206.7:
    * O T HA    PRO   52 - HG2   PRO   52   3.88 +/- 0.00  98.390% * 99.4413% (1.00   5.98 206.66) =  99.998%  kept
          HA    LYS+ 111 - HG2   PRO   52   9.55 +/- 0.79   0.514% *  0.2152% (0.65   0.02   0.02) =   0.001%
          HA    ALA   91 - HG2   PRO   52   8.86 +/- 1.36   1.060% *  0.1027% (0.31   0.02   0.02) =   0.001%
          HA    VAL  107 - HG2   PRO   52  14.87 +/- 1.04   0.034% *  0.0658% (0.20   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   52  23.63 +/- 0.95   0.002% *  0.1750% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 6.05, residual support = 206.7:
    * O T HB2   PRO   52 - HG2   PRO   52   2.31 +/- 0.00  99.999% * 99.6899% (1.00   6.05 206.66) = 100.000%  kept
          HB2   ASP-  62 - HG2   PRO   52  18.25 +/- 0.62   0.000% *  0.1865% (0.57   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG2   PRO   52  18.78 +/- 1.45   0.000% *  0.1236% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 6.11, residual support = 206.7:
    * O T HB3   PRO   52 - HG2   PRO   52   2.80 +/- 0.00  96.561% * 98.1156% (1.00   6.11 206.66) =  99.996%  kept
          HG2   PRO   93 - HG2   PRO   52   5.53 +/- 1.17   3.343% *  0.0991% (0.31   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HG2   PRO   52   9.68 +/- 0.35   0.059% *  0.1205% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   52  11.27 +/- 1.70   0.034% *  0.0636% (0.20   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   52  20.45 +/- 0.72   0.001% *  0.1818% (0.57   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   52  23.00 +/- 1.28   0.000% *  0.2880% (0.90   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   52  24.05 +/- 0.99   0.000% *  0.3212% (1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   52  20.93 +/- 0.97   0.001% *  0.1095% (0.34   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   52  24.19 +/- 1.25   0.000% *  0.2454% (0.76   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   52  18.91 +/- 0.76   0.001% *  0.0496% (0.15   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   52  24.00 +/- 1.15   0.000% *  0.1320% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   52  29.13 +/- 0.61   0.000% *  0.1440% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   52  26.49 +/- 0.87   0.000% *  0.0801% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   52  25.77 +/- 1.09   0.000% *  0.0496% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 6.0, residual support = 206.7:
    * O T HG3   PRO   52 - HG2   PRO   52   1.75 +/- 0.00  99.943% * 98.6809% (1.00   6.00 206.66) = 100.000%  kept
          HB2   PRO   93 - HG2   PRO   52   6.73 +/- 1.28   0.056% *  0.1016% (0.31   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   PRO   52  12.11 +/- 0.43   0.001% *  0.3292% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   52  30.41 +/- 1.95   0.000% *  0.3263% (0.99   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   PRO   52  24.51 +/- 1.20   0.000% *  0.0508% (0.15   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   PRO   52  28.98 +/- 1.10   0.000% *  0.1235% (0.38   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   PRO   52  28.24 +/- 1.02   0.000% *  0.0651% (0.20   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   52  38.25 +/- 3.20   0.000% *  0.3226% (0.98   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 522 (3.98, 2.32, 28.73 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 206.7:
    * O T HD2   PRO   52 - HG2   PRO   52   2.44 +/- 0.25  99.982% * 98.4023% (1.00   6.60 206.66) = 100.000%  kept
          HA    SER   48 - HG2   PRO   52  10.85 +/- 0.31   0.015% *  0.2166% (0.73   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   52  17.49 +/- 1.08   0.001% *  0.2754% (0.92   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   52  19.10 +/- 0.89   0.001% *  0.1452% (0.49   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   52  20.85 +/- 0.86   0.000% *  0.0829% (0.28   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   52  23.50 +/- 0.54   0.000% *  0.1689% (0.57   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   52  23.63 +/- 1.20   0.000% *  0.1018% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   52  26.51 +/- 0.77   0.000% *  0.1452% (0.49   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   52  23.31 +/- 0.78   0.000% *  0.0590% (0.20   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   PRO   52  30.79 +/- 1.06   0.000% *  0.2822% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   PRO   52  30.05 +/- 1.00   0.000% *  0.0744% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   PRO   52  31.68 +/- 0.98   0.000% *  0.0460% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 206.6:
    * O T HA    PRO   52 - HG3   PRO   52   3.97 +/- 0.00  95.114% * 98.7281% (1.00   5.98 206.66) =  99.992%  kept
          HA    ALA   91 - HG3   PRO   52   7.73 +/- 1.35   2.912% *  0.1020% (0.31   0.02   0.02) =   0.003%
        T HA    PRO   52 - HG2   PRO   58   8.90 +/- 0.47   0.804% *  0.2675% (0.81   0.02   0.02) =   0.002%
          HA    LYS+ 111 - HG3   PRO   52   9.31 +/- 0.56   0.623% *  0.2138% (0.65   0.02   0.02) =   0.001%
          HA    LYS+ 111 - HG2   PRO   58  10.06 +/- 0.57   0.386% *  0.1731% (0.52   0.02   0.02) =   0.001%
          HA    VAL  107 - HG2   PRO   58  13.02 +/- 0.59   0.080% *  0.0529% (0.16   0.02   0.02) =   0.000%
          HA    VAL  107 - HG3   PRO   52  13.84 +/- 0.83   0.057% *  0.0654% (0.20   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   PRO   58  16.77 +/- 1.19   0.018% *  0.0826% (0.25   0.02   0.02) =   0.000%
          HA    TRP   27 - HG3   PRO   52  21.95 +/- 0.97   0.003% *  0.1739% (0.53   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   58  22.65 +/- 0.39   0.003% *  0.1408% (0.43   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 6.05, residual support = 206.7:
    * O T HB2   PRO   52 - HG3   PRO   52   2.96 +/- 0.00  99.367% * 99.1759% (1.00   6.05 206.66) =  99.999%  kept
          HB2   ASP-  62 - HG2   PRO   58   7.15 +/- 0.57   0.565% *  0.1503% (0.46   0.02   0.02) =   0.001%
        T HB2   PRO   52 - HG2   PRO   58  10.23 +/- 0.50   0.061% *  0.2655% (0.81   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG3   PRO   52  17.19 +/- 0.64   0.003% *  0.1856% (0.57   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG3   PRO   52  17.29 +/- 1.32   0.003% *  0.1231% (0.38   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG2   PRO   58  17.95 +/- 0.54   0.002% *  0.0996% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 6.11, residual support = 206.7:
    * O T HB3   PRO   52 - HG3   PRO   52   2.31 +/- 0.00  94.955% * 96.3923% (1.00   6.11 206.66) =  99.995%  kept
        T HG2   PRO   93 - HG3   PRO   52   4.29 +/- 0.96   4.919% *  0.0974% (0.31   0.02   0.02) =   0.005%
        T HB3   PRO   52 - HG2   PRO   58   9.50 +/- 0.48   0.020% *  0.2556% (0.81   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58   8.59 +/- 0.64   0.040% *  0.0959% (0.30   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   9.04 +/- 0.28   0.027% *  0.1185% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   58  11.01 +/- 0.39   0.008% *  0.1447% (0.46   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG2   PRO   58  10.52 +/- 0.75   0.012% *  0.0789% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  10.63 +/- 1.50   0.014% *  0.0625% (0.20   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   58  13.90 +/- 0.78   0.002% *  0.2556% (0.81   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.08 +/- 0.67   0.001% *  0.0872% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   52  19.37 +/- 0.74   0.000% *  0.1787% (0.57   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   52  21.54 +/- 1.17   0.000% *  0.2831% (0.90   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   58  20.33 +/- 0.50   0.000% *  0.1953% (0.62   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   58  21.31 +/- 1.06   0.000% *  0.2292% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   58  19.14 +/- 0.31   0.000% *  0.1146% (0.36   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   PRO   52  23.09 +/- 0.88   0.000% *  0.3157% (1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   PRO   52  22.53 +/- 1.21   0.000% *  0.2413% (0.76   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  19.66 +/- 0.83   0.000% *  0.1077% (0.34   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  17.90 +/- 0.73   0.000% *  0.0487% (0.15   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   PRO   52  22.64 +/- 1.00   0.000% *  0.1298% (0.41   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   58  22.36 +/- 0.65   0.000% *  0.1051% (0.33   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  20.71 +/- 0.88   0.000% *  0.0506% (0.16   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  22.79 +/- 0.53   0.000% *  0.0637% (0.20   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  24.96 +/- 0.89   0.000% *  0.0787% (0.25   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   PRO   52  27.76 +/- 0.68   0.000% *  0.1415% (0.45   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   58  22.91 +/- 0.59   0.000% *  0.0394% (0.12   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   PRO   52  24.51 +/- 0.97   0.000% *  0.0487% (0.15   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  24.21 +/- 0.40   0.000% *  0.0394% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 526 (2.32, 2.08, 28.73 ppm):
    14 chemical-shift based assignments, quality = 0.995, support = 5.97, residual support = 205.7:
    * O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  93.274% * 90.1482% (1.00   6.00 206.66) =  99.534%  kept
      O T HB2   PRO   58 - HG2   PRO   58   2.89 +/- 0.19   5.196% *  7.5124% (0.12   4.00 135.45) =   0.462%
          HG2   MET   92 - HG3   PRO   52   6.69 +/- 2.21   1.524% *  0.1945% (0.65   0.02   0.02) =   0.004%
          QG    GLU- 114 - HG2   PRO   58   9.89 +/- 0.64   0.003% *  0.1768% (0.59   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   PRO   52  11.27 +/- 0.65   0.001% *  0.2184% (0.73   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   PRO   58  12.11 +/- 0.43   0.001% *  0.2434% (0.81   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   PRO   52  15.35 +/- 0.70   0.000% *  0.2408% (0.80   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   PRO   58  15.76 +/- 1.80   0.000% *  0.1575% (0.52   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  13.28 +/- 0.37   0.000% *  0.0464% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   PRO   58  19.99 +/- 0.65   0.000% *  0.1949% (0.65   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  28.93 +/- 0.99   0.000% *  0.2845% (0.95   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  31.47 +/- 0.48   0.000% *  0.2303% (0.77   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   PRO   58  30.92 +/- 1.15   0.000% *  0.1575% (0.52   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   PRO   52  33.47 +/- 1.17   0.000% *  0.1945% (0.65   0.02   0.02) =   0.000%
    Distance limit 2.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 527 (2.08, 2.08, 28.73 ppm):
    2 diagonal assignments:
    *     HG3   PRO   52 - HG3   PRO   52  (1.00)  kept
          HG2   PRO   58 - HG2   PRO   58  (0.81)  kept
 
    Peak 528 (3.98, 2.08, 28.73 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.6, residual support = 206.7:
    * O T HD2   PRO   52 - HG3   PRO   52   2.76 +/- 0.26  99.892% * 96.9146% (1.00   6.60 206.66) = 100.000%  kept
          HA    SER   48 - HG3   PRO   52   9.81 +/- 0.37   0.059% *  0.2134% (0.73   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG2   PRO   58  12.23 +/- 0.40   0.014% *  0.2379% (0.81   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   58  13.47 +/- 0.31   0.008% *  0.1347% (0.46   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   PRO   58  15.10 +/- 1.23   0.005% *  0.1727% (0.59   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   PRO   52  16.62 +/- 0.94   0.002% *  0.2712% (0.92   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   58  13.90 +/- 0.64   0.007% *  0.0471% (0.16   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   58  14.79 +/- 0.39   0.005% *  0.0661% (0.23   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   58  17.62 +/- 0.83   0.002% *  0.1158% (0.39   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   PRO   52  18.14 +/- 0.83   0.001% *  0.1430% (0.49   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   PRO   52  19.26 +/- 0.93   0.001% *  0.0817% (0.28   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG3   PRO   52  22.21 +/- 0.64   0.000% *  0.1663% (0.57   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   PRO   52  22.25 +/- 1.17   0.000% *  0.1002% (0.34   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   58  25.58 +/- 0.36   0.000% *  0.2196% (0.75   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   PRO   52  25.11 +/- 0.84   0.000% *  0.1430% (0.49   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   58  25.04 +/- 0.33   0.000% *  0.1158% (0.39   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   PRO   52  29.09 +/- 1.04   0.000% *  0.2779% (0.95   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   PRO   52  22.41 +/- 0.69   0.000% *  0.0581% (0.20   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG2   PRO   58  28.28 +/- 0.46   0.000% *  0.2250% (0.77   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   58  27.77 +/- 0.71   0.000% *  0.0811% (0.28   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   PRO   52  28.36 +/- 1.01   0.000% *  0.0733% (0.25   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG2   PRO   58  28.33 +/- 0.44   0.000% *  0.0593% (0.20   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG2   PRO   58  27.58 +/- 0.37   0.000% *  0.0367% (0.12   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   PRO   52  29.97 +/- 1.00   0.000% *  0.0453% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 0.989, support = 2.97, residual support = 42.1:
    * O T HB2   CYS   53 - HA    CYS   53   2.95 +/- 0.10  94.289% * 56.2878% (1.00   2.96  41.72) =  96.532%  kept
          HD3   PRO   52 - HA    CYS   53   5.09 +/- 0.61   4.447% * 42.8185% (0.69   3.27  51.51) =   3.463%  kept
          HD2   PRO   58 - HA    CYS   53   6.18 +/- 0.47   1.261% *  0.2003% (0.53   0.02   0.02) =   0.005%
          HA    VAL   83 - HA    CYS   53  18.88 +/- 0.73   0.001% *  0.1707% (0.45   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    CYS   53  22.60 +/- 0.75   0.000% *  0.2909% (0.76   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    CYS   53  20.60 +/- 0.73   0.001% *  0.0753% (0.20   0.02   0.02) =   0.000%
          HA    GLU- 100 - HA    CYS   53  26.97 +/- 0.50   0.000% *  0.1565% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 3.17, residual support = 41.7:
    * O T HB3   CYS   53 - HA    CYS   53   2.50 +/- 0.21  95.027% * 97.3427% (1.00   3.18  41.72) =  99.971%  kept
          QB    PHE   55 - HA    CYS   53   4.62 +/- 0.34   2.876% *  0.5318% (0.87   0.02   0.02) =   0.017%
          HD3   PRO   93 - HA    CYS   53   5.51 +/- 0.90   1.877% *  0.5800% (0.95   0.02   0.02) =   0.012%
          HD2   ARG+  54 - HA    CYS   53   7.97 +/- 0.42   0.108% *  0.6077% (0.99   0.02  29.47) =   0.001%
          HB2   PHE   59 - HA    CYS   53   7.97 +/- 0.57   0.113% *  0.3719% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    CYS   53  21.62 +/- 0.72   0.000% *  0.5660% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 41.7:
    * O T HA    CYS   53 - HB2   CYS   53   2.95 +/- 0.10  99.992% * 98.3742% (1.00   2.96  41.72) = 100.000%  kept
          HA    ILE   19 - HB2   CYS   53  16.23 +/- 0.77   0.004% *  0.5967% (0.90   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   CYS   53  17.53 +/- 0.36   0.002% *  0.1317% (0.20   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   CYS   53  22.52 +/- 0.46   0.001% *  0.3239% (0.49   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HB2   CYS   53  23.94 +/- 0.44   0.000% *  0.4570% (0.69   0.02   0.02) =   0.000%
        T HA    SER   82 - HB2   CYS   53  20.71 +/- 0.69   0.001% *  0.1165% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 3.23, residual support = 41.7:
    * O T HB3   CYS   53 - HB2   CYS   53   1.75 +/- 0.00  99.868% * 97.3901% (1.00   3.23  41.72) =  99.999%  kept
          HD3   PRO   93 - HB2   CYS   53   6.72 +/- 1.04   0.054% *  0.5696% (0.95   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   CYS   53   6.16 +/- 0.33   0.056% *  0.5223% (0.87   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB2   CYS   53   7.34 +/- 0.40   0.020% *  0.5968% (0.99   0.02  29.47) =   0.000%
          HB2   PHE   59 - HB2   CYS   53  10.21 +/- 0.70   0.003% *  0.3652% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   CYS   53  22.93 +/- 0.98   0.000% *  0.5559% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 3.18, residual support = 41.7:
    * O T HA    CYS   53 - HB3   CYS   53   2.50 +/- 0.21  99.996% * 98.4843% (1.00   3.18  41.72) = 100.000%  kept
          HA    ILE   19 - HB3   CYS   53  15.70 +/- 0.48   0.002% *  0.5563% (0.90   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   CYS   53  16.95 +/- 0.47   0.001% *  0.1228% (0.20   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   CYS   53  21.76 +/- 0.57   0.000% *  0.3019% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  25 - HB3   CYS   53  23.09 +/- 0.75   0.000% *  0.4261% (0.69   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   CYS   53  19.85 +/- 0.76   0.000% *  0.1086% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 3.23, residual support = 41.7:
    * O T HB2   CYS   53 - HB3   CYS   53   1.75 +/- 0.00  99.671% * 98.1582% (1.00   3.23  41.72) =  99.999%  kept
          HD3   PRO   52 - HB3   CYS   53   4.90 +/- 0.76   0.313% *  0.4169% (0.69   0.02  51.51) =   0.001%
          HD2   PRO   58 - HB3   CYS   53   7.64 +/- 0.47   0.016% *  0.3193% (0.53   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   CYS   53  17.81 +/- 0.82   0.000% *  0.2721% (0.45   0.02   0.02) =   0.000%
          HA    GLN   30 - HB3   CYS   53  21.96 +/- 0.69   0.000% *  0.4638% (0.76   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   CYS   53  19.19 +/- 0.79   0.000% *  0.1201% (0.20   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB3   CYS   53  27.48 +/- 0.62   0.000% *  0.2495% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (3.34, 3.34, 34.62 ppm):
    1 diagonal assignment:
    *     HB3   CYS   53 - HB3   CYS   53  (1.00)  kept
 
    Peak 538 (4.11, 4.11, 59.18 ppm):
    2 diagonal assignments:
    *     HA    ARG+  54 - HA    ARG+  54  (1.00)  kept
          HA    LEU  115 - HA    LEU  115  (0.19)  kept
 
    Peak 539 (2.05, 4.11, 59.18 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 4.88, residual support = 156.8:
    * O T HB2   ARG+  54 - HA    ARG+  54   2.83 +/- 0.02  98.134% * 97.0125% (1.00   4.88 156.80) =  99.997%  kept
          HB    ILE  119 - HA    LEU  115   5.93 +/- 0.36   1.271% *  0.1061% (0.27   0.02  11.63) =   0.001%
          HB2   PRO   93 - HA    ARG+  54   7.74 +/- 0.73   0.302% *  0.3448% (0.87   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    LEU  115   7.90 +/- 0.65   0.241% *  0.1212% (0.30   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LEU  115  10.68 +/- 0.44   0.035% *  0.1061% (0.27   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ARG+  54  15.63 +/- 0.39   0.004% *  0.3448% (0.87   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ARG+  54  16.79 +/- 0.76   0.002% *  0.3940% (0.99   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    LEU  115  14.47 +/- 0.59   0.006% *  0.1223% (0.31   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ARG+  54  21.22 +/- 0.76   0.001% *  0.3448% (0.87   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ARG+  54  21.59 +/- 0.93   0.001% *  0.2250% (0.57   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU  115  21.15 +/- 0.57   0.001% *  0.1061% (0.27   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ARG+  54  20.81 +/- 1.35   0.001% *  0.0885% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU  115  22.33 +/- 0.32   0.000% *  0.0979% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  19.09 +/- 0.64   0.001% *  0.0272% (0.07   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  22.78 +/- 0.74   0.000% *  0.0692% (0.17   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    ARG+  54  23.00 +/- 2.00   0.000% *  0.0613% (0.15   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ARG+  54  30.49 +/- 0.49   0.000% *  0.3183% (0.80   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    ARG+  54  30.42 +/- 3.40   0.000% *  0.0696% (0.18   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    LEU  115  26.45 +/- 1.46   0.000% *  0.0189% (0.05   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    LEU  115  32.89 +/- 2.65   0.000% *  0.0214% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.12 A, kept.
 
    Peak 540 (1.86, 4.11, 59.18 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 156.8:
    * O T HG2   ARG+  54 - HA    ARG+  54   2.32 +/- 0.31  99.345% * 95.4819% (1.00   4.74 156.80) =  99.999%  kept
          HB    ILE   56 - HA    ARG+  54   6.39 +/- 0.37   0.302% *  0.1655% (0.41   0.02   0.02) =   0.001%
        T HB3   PRO   52 - HA    ARG+  54   7.42 +/- 0.14   0.125% *  0.1511% (0.38   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LEU  115   8.53 +/- 0.29   0.048% *  0.1236% (0.31   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  115   8.29 +/- 0.31   0.056% *  0.1035% (0.26   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LEU  115   8.08 +/- 0.38   0.088% *  0.0509% (0.13   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LEU  115  10.81 +/- 0.57   0.014% *  0.0465% (0.12   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LEU  115  11.93 +/- 0.90   0.011% *  0.0465% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ARG+  54  16.54 +/- 1.13   0.001% *  0.3716% (0.92   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ARG+  54  16.72 +/- 0.58   0.001% *  0.3363% (0.84   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  115  14.99 +/- 0.36   0.002% *  0.1236% (0.31   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LEU  115  15.66 +/- 0.50   0.001% *  0.1239% (0.31   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ARG+  54  19.60 +/- 0.53   0.000% *  0.4017% (1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    ARG+  54  20.06 +/- 0.89   0.000% *  0.3492% (0.87   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    ARG+  54  22.30 +/- 0.43   0.000% *  0.3990% (0.99   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ARG+  54  22.52 +/- 0.60   0.000% *  0.3885% (0.97   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ARG+  54  19.67 +/- 0.63   0.000% *  0.1511% (0.38   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LEU  115  19.03 +/- 0.77   0.000% *  0.1228% (0.30   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  115  14.73 +/- 0.67   0.002% *  0.0217% (0.05   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ARG+  54  24.28 +/- 0.60   0.000% *  0.4017% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  115  20.62 +/- 0.43   0.000% *  0.1144% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  115  21.35 +/- 0.55   0.000% *  0.1196% (0.30   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ARG+  54  21.18 +/- 0.68   0.000% *  0.0621% (0.15   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LEU  115  24.41 +/- 0.26   0.000% *  0.1075% (0.27   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    ARG+  54  22.77 +/- 0.92   0.000% *  0.0705% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LEU  115  22.88 +/- 1.00   0.000% *  0.0344% (0.09   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LEU  115  21.25 +/- 0.61   0.000% *  0.0191% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ARG+  54  29.54 +/- 1.52   0.000% *  0.1119% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 541 (3.34, 4.11, 59.18 ppm):
    12 chemical-shift based assignments, quality = 0.985, support = 4.29, residual support = 133.1:
    *   T HD2   ARG+  54 - HA    ARG+  54   3.47 +/- 0.59  75.441% * 38.1402% (1.00   4.37 156.80) =  82.904%  kept
          HB3   CYS   53 - HA    ARG+  54   5.16 +/- 0.59  10.231% * 33.1968% (0.99   3.84  29.47) =   9.786%  kept
          QB    PHE   55 - HA    ARG+  54   5.08 +/- 0.05   9.057% * 27.9908% (0.80   4.01   2.72) =   7.304%  kept
          HB2   PHE   59 - HA    LEU  115   5.95 +/- 0.50   4.345% *  0.0282% (0.16   0.02  25.43) =   0.004%
          HB2   PHE   59 - HA    ARG+  54   8.50 +/- 0.22   0.413% *  0.0918% (0.53   0.02   0.02) =   0.001%
          HD3   PRO   93 - HA    ARG+  54  10.12 +/- 0.97   0.167% *  0.1564% (0.90   0.02   0.02) =   0.001%
          QB    PHE   55 - HA    LEU  115   9.36 +/- 0.62   0.265% *  0.0430% (0.25   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    LEU  115  12.73 +/- 0.34   0.037% *  0.0481% (0.28   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    LEU  115  13.67 +/- 0.56   0.025% *  0.0532% (0.30   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HA    LEU  115  15.65 +/- 0.82   0.010% *  0.0537% (0.31   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    LEU  115  16.83 +/- 0.68   0.007% *  0.0466% (0.27   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    ARG+  54  20.69 +/- 0.64   0.002% *  0.1513% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 542 (4.11, 2.05, 30.44 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 4.88, residual support = 156.8:
    * O T HA    ARG+  54 - HB2   ARG+  54   2.83 +/- 0.02  99.980% * 97.7563% (1.00   4.88 156.80) = 100.000%  kept
        T HA    LEU  115 - HB2   ARG+  54  14.47 +/- 0.59   0.006% *  0.2429% (0.61   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   GLU-  14  15.49 +/- 1.79   0.005% *  0.0264% (0.07   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ARG+  54  17.36 +/- 0.44   0.002% *  0.0701% (0.18   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ARG+  54  22.52 +/- 0.90   0.000% *  0.2591% (0.65   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ARG+  54  26.44 +/- 0.44   0.000% *  0.3926% (0.98   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   GLU-  14  18.86 +/- 1.80   0.001% *  0.0381% (0.10   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   GLU-  14  19.74 +/- 2.11   0.001% *  0.0310% (0.08   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   ARG+  54  27.10 +/- 0.83   0.000% *  0.2591% (0.65   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB2   GLU-  14  23.00 +/- 2.00   0.000% *  0.0589% (0.15   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ARG+  54  27.62 +/- 0.74   0.000% *  0.1796% (0.45   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   MET   11  21.30 +/- 3.67   0.001% *  0.0174% (0.04   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   MET   11  24.11 +/- 4.50   0.001% *  0.0204% (0.05   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ARG+  54  29.74 +/- 0.96   0.000% *  0.1114% (0.28   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ARG+  54  34.00 +/- 0.78   0.000% *  0.2107% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   GLU-  14  26.69 +/- 2.04   0.000% *  0.0381% (0.10   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB2   GLU-  14  26.45 +/- 1.46   0.000% *  0.0357% (0.09   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   MET   11  26.54 +/- 2.92   0.000% *  0.0251% (0.06   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   GLU-  14  28.88 +/- 1.18   0.000% *  0.0577% (0.14   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   GLU-  14  24.01 +/- 2.17   0.000% *  0.0164% (0.04   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG2   MET   11  30.42 +/- 3.40   0.000% *  0.0387% (0.10   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   MET   11  32.08 +/- 3.96   0.000% *  0.0380% (0.09   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   MET   11  29.83 +/- 4.05   0.000% *  0.0108% (0.03   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   MET   11  32.89 +/- 2.65   0.000% *  0.0235% (0.06   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   MET   11  35.37 +/- 3.22   0.000% *  0.0251% (0.06   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   GLU-  14  31.14 +/- 1.43   0.000% *  0.0103% (0.03   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   MET   11  37.31 +/- 2.70   0.000% *  0.0068% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 4.78, residual support = 156.8:
    * O T HD2   ARG+  54 - HB2   ARG+  54   2.33 +/- 0.22  97.525% * 97.8226% (1.00   4.78 156.80) =  99.991%  kept
          QB    PHE   55 - HB2   ARG+  54   4.50 +/- 0.26   2.274% *  0.3277% (0.80   0.02   2.72) =   0.008%
          HB3   CYS   53 - HB2   ARG+  54   7.02 +/- 0.42   0.173% *  0.4056% (0.99   0.02  29.47) =   0.001%
          HB2   PHE   59 - HB2   ARG+  54  10.14 +/- 0.27   0.017% *  0.2153% (0.53   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HB2   ARG+  54  11.35 +/- 0.90   0.009% *  0.3670% (0.90   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   GLU-  14  15.08 +/- 0.92   0.001% *  0.0522% (0.13   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   ARG+  54  22.56 +/- 0.76   0.000% *  0.3550% (0.87   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   MET   11  18.81 +/- 3.36   0.001% *  0.0343% (0.08   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HB2   GLU-  14  24.02 +/- 2.34   0.000% *  0.0602% (0.15   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB2   GLU-  14  23.95 +/- 2.03   0.000% *  0.0596% (0.15   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   GLU-  14  21.90 +/- 1.55   0.000% *  0.0317% (0.08   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   GLU-  14  24.50 +/- 1.65   0.000% *  0.0482% (0.12   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HB2   GLU-  14  27.88 +/- 2.03   0.000% *  0.0540% (0.13   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG2   MET   11  30.88 +/- 3.73   0.000% *  0.0396% (0.10   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   11  30.89 +/- 2.84   0.000% *  0.0317% (0.08   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   11  28.85 +/- 2.63   0.000% *  0.0208% (0.05   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   11  32.04 +/- 3.00   0.000% *  0.0392% (0.10   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG2   MET   11  36.06 +/- 2.85   0.000% *  0.0355% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (4.11, 3.34, 43.59 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.37, residual support = 156.8:
    *   T HA    ARG+  54 - HD2   ARG+  54   3.47 +/- 0.59  99.976% * 98.0677% (1.00   4.37 156.80) = 100.000%  kept
        T HA    LEU  115 - HD2   ARG+  54  15.65 +/- 0.82   0.015% *  0.2720% (0.61   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   ARG+  54  23.14 +/- 1.20   0.002% *  0.2901% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD2   ARG+  54  18.82 +/- 0.74   0.005% *  0.0785% (0.18   0.02   0.02) =   0.000%
          HA    ALA  124 - HD2   ARG+  54  26.86 +/- 0.86   0.001% *  0.4396% (0.98   0.02   0.02) =   0.000%
          HA    ASN   28 - HD2   ARG+  54  27.24 +/- 1.21   0.001% *  0.2901% (0.65   0.02   0.02) =   0.000%
          HA    ALA   34 - HD2   ARG+  54  27.52 +/- 1.28   0.001% *  0.2011% (0.45   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD2   ARG+  54  30.26 +/- 1.00   0.000% *  0.1247% (0.28   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   ARG+  54  33.95 +/- 1.30   0.000% *  0.2360% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 551 (2.05, 3.34, 43.59 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.78, residual support = 156.8:
    * O T HB2   ARG+  54 - HD2   ARG+  54   2.33 +/- 0.22  99.986% * 97.7460% (1.00   4.78 156.80) = 100.000%  kept
        T HB2   PRO   93 - HD2   ARG+  54  10.93 +/- 0.85   0.012% *  0.3547% (0.87   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   ARG+  54  17.07 +/- 0.77   0.001% *  0.3547% (0.87   0.02   0.02) =   0.000%
          HB    VAL  108 - HD2   ARG+  54  19.46 +/- 1.06   0.000% *  0.4053% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   ARG+  54  23.76 +/- 1.27   0.000% *  0.3547% (0.87   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   ARG+  54  23.99 +/- 1.26   0.000% *  0.2315% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   ARG+  54  21.93 +/- 1.54   0.000% *  0.0910% (0.22   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD2   ARG+  54  24.02 +/- 2.34   0.000% *  0.0631% (0.15   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   ARG+  54  33.25 +/- 1.04   0.000% *  0.3274% (0.80   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD2   ARG+  54  30.88 +/- 3.73   0.000% *  0.0716% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 4.59, residual support = 156.8:
    * O T HG2   ARG+  54 - HD2   ARG+  54   2.89 +/- 0.16  99.818% * 96.4887% (1.00   4.59 156.80) = 100.000%  kept
          HB    ILE   56 - HD2   ARG+  54   9.21 +/- 0.67   0.099% *  0.1729% (0.41   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD2   ARG+  54   9.61 +/- 0.34   0.077% *  0.1579% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   ARG+  54  19.11 +/- 1.25   0.001% *  0.3883% (0.92   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   ARG+  54  19.45 +/- 0.84   0.001% *  0.3514% (0.84   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   ARG+  54  22.27 +/- 0.81   0.000% *  0.4197% (1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HD2   ARG+  54  22.32 +/- 1.13   0.001% *  0.3649% (0.87   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD2   ARG+  54  23.49 +/- 0.99   0.000% *  0.4170% (0.99   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   ARG+  54  20.93 +/- 1.09   0.001% *  0.1579% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   ARG+  54  24.68 +/- 1.07   0.000% *  0.4060% (0.97   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   ARG+  54  27.38 +/- 0.90   0.000% *  0.4197% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   ARG+  54  23.83 +/- 1.19   0.000% *  0.0649% (0.15   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   ARG+  54  25.90 +/- 1.07   0.000% *  0.0737% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD2   ARG+  54  32.11 +/- 1.96   0.000% *  0.1170% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 3.37, residual support = 19.7:
    * O T QB    PHE   55 - HA    PHE   55   2.50 +/- 0.14  98.760% * 96.6492% (1.00   3.37  19.74) =  99.994%  kept
          HD2   ARG+  54 - HA    PHE   55   5.60 +/- 0.51   0.953% *  0.4595% (0.80   0.02   2.72) =   0.005%
          HB2   PHE   59 - HA    PHE   55   7.55 +/- 0.30   0.143% *  0.5146% (0.90   0.02   0.02) =   0.001%
          HB3   CYS   53 - HA    PHE   55   8.03 +/- 0.27   0.095% *  0.4978% (0.87   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   55  10.75 +/- 0.76   0.019% *  0.5625% (0.98   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    VAL   42  10.71 +/- 0.40   0.017% *  0.1211% (0.21   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    VAL   42  12.67 +/- 0.62   0.007% *  0.1339% (0.23   0.02   0.02) =   0.000%
        T QB    PHE   55 - HA    VAL   42  15.83 +/- 0.67   0.002% *  0.1350% (0.24   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    VAL   42  15.75 +/- 0.22   0.002% *  0.1324% (0.23   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    VAL   42  15.69 +/- 0.53   0.002% *  0.1171% (0.20   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   55  21.01 +/- 0.73   0.000% *  0.5687% (0.99   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    VAL   42  19.82 +/- 1.09   0.000% *  0.1081% (0.19   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 3.37, residual support = 19.7:
    * O T HA    PHE   55 - QB    PHE   55   2.50 +/- 0.14  97.745% * 98.6069% (1.00   3.37  19.74) =  99.988%  kept
          HA    ALA  110 - QB    PHE   55   5.38 +/- 1.00   2.251% *  0.5078% (0.87   0.02   0.47) =   0.012%
          HA    GLN   90 - QB    PHE   55  14.71 +/- 0.90   0.003% *  0.5538% (0.95   0.02   0.02) =   0.000%
        T HA    VAL   42 - QB    PHE   55  15.83 +/- 0.67   0.002% *  0.3315% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 4.46, residual support = 114.1:
    * O T HB    ILE   56 - HA    ILE   56   2.78 +/- 0.07  98.228% * 96.8484% (1.00   4.46 114.14) =  99.996%  kept
        T HB3   PRO   58 - HA    ILE   56   5.53 +/- 0.08   1.615% *  0.2115% (0.49   0.02   0.23) =   0.004%
          HG2   ARG+  54 - HA    ILE   56   8.62 +/- 0.36   0.117% *  0.1786% (0.41   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ILE   56  12.21 +/- 0.44   0.015% *  0.3321% (0.76   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    ILE   56  12.35 +/- 0.74   0.014% *  0.2985% (0.69   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ILE   56  14.08 +/- 0.40   0.006% *  0.1948% (0.45   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE   56  17.52 +/- 0.75   0.002% *  0.2811% (0.65   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ILE   56  20.54 +/- 0.50   0.001% *  0.3629% (0.84   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE   56  21.68 +/- 0.36   0.000% *  0.3155% (0.73   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ILE   56  19.58 +/- 0.42   0.001% *  0.1631% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE   56  21.50 +/- 0.51   0.000% *  0.2460% (0.57   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE   56  19.95 +/- 0.21   0.001% *  0.1482% (0.34   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE   56  26.08 +/- 1.13   0.000% *  0.4193% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 4.47, residual support = 114.1:
    * O   QG2   ILE   56 - HA    ILE   56   3.04 +/- 0.06  99.910% * 97.8282% (1.00   4.47 114.14) = 100.000%  kept
          QB    ALA   91 - HA    ILE   56  11.26 +/- 0.68   0.041% *  0.3178% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   56  11.37 +/- 0.64   0.039% *  0.0866% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   56  17.51 +/- 0.34   0.003% *  0.4140% (0.95   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   56  17.82 +/- 0.65   0.002% *  0.3178% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ILE   56  20.11 +/- 0.39   0.001% *  0.2831% (0.65   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   56  18.66 +/- 0.49   0.002% *  0.1643% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   56  19.97 +/- 0.86   0.001% *  0.0767% (0.18   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HA    ILE   56  27.62 +/- 1.49   0.000% *  0.4140% (0.95   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   56  21.81 +/- 0.89   0.001% *  0.0974% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 561 (1.72, 4.38, 60.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.9, residual support = 114.1:
    * O T QG1   ILE   56 - HA    ILE   56   2.51 +/- 0.08  99.977% * 98.4132% (1.00   3.90 114.14) = 100.000%  kept
          HB3   MET   92 - HA    ILE   56  11.43 +/- 1.24   0.015% *  0.0998% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HA    ILE   56  13.60 +/- 0.66   0.004% *  0.2455% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    ILE   56  15.07 +/- 0.28   0.002% *  0.1556% (0.31   0.02   0.02) =   0.000%
          HB    ILE   89 - HA    ILE   56  17.79 +/- 0.36   0.001% *  0.3262% (0.65   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - HA    ILE   56  20.37 +/- 0.73   0.000% *  0.4943% (0.98   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HA    ILE   56  18.55 +/- 0.44   0.001% *  0.2653% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 563 (4.38, 1.88, 41.57 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.46, residual support = 114.1:
    * O T HA    ILE   56 - HB    ILE   56   2.78 +/- 0.07  99.822% * 97.9097% (1.00   4.46 114.14) = 100.000%  kept
        T HA    PRO   58 - HB    ILE   56   8.34 +/- 0.04   0.140% *  0.1221% (0.28   0.02   0.23) =   0.000%
          HA    ASP- 113 - HB    ILE   56  10.55 +/- 0.40   0.035% *  0.2842% (0.65   0.02   0.02) =   0.000%
        T HA    LEU  123 - HB    ILE   56  19.48 +/- 0.28   0.001% *  0.4306% (0.98   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB    ILE   56  21.44 +/- 0.45   0.000% *  0.4155% (0.95   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    ILE   56  20.02 +/- 0.47   0.001% *  0.1806% (0.41   0.02   0.02) =   0.000%
          HA    ASN   35 - HB    ILE   56  25.17 +/- 0.68   0.000% *  0.4383% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    ILE   56  21.65 +/- 0.59   0.000% *  0.1095% (0.25   0.02   0.02) =   0.000%
          HA    SER   13 - HB    ILE   56  28.20 +/- 1.09   0.000% *  0.1095% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 564 (1.88, 1.88, 41.57 ppm):
    1 diagonal assignment:
    *     HB    ILE   56 - HB    ILE   56  (1.00)  kept
 
    Peak 565 (1.27, 1.88, 41.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 114.1:
    * O T QG2   ILE   56 - HB    ILE   56   2.12 +/- 0.00  99.975% * 98.1956% (1.00   5.40 114.14) = 100.000%  kept
          QB    ALA   91 - HB    ILE   56   9.11 +/- 0.74   0.018% *  0.2641% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   56  10.79 +/- 0.59   0.006% *  0.0720% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   56  17.75 +/- 0.45   0.000% *  0.3440% (0.95   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   56  18.68 +/- 0.64   0.000% *  0.2641% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HB    ILE   56  19.19 +/- 0.50   0.000% *  0.2352% (0.65   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   56  19.21 +/- 0.57   0.000% *  0.1365% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   56  20.66 +/- 1.09   0.000% *  0.0637% (0.18   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HB    ILE   56  28.16 +/- 1.51   0.000% *  0.3440% (0.95   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   56  22.57 +/- 0.91   0.000% *  0.0810% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 4.63, residual support = 114.1:
    * O T QG1   ILE   56 - HB    ILE   56   2.34 +/- 0.03  99.937% * 98.6582% (1.00   4.63 114.14) = 100.000%  kept
          HB3   MET   92 - HB    ILE   56   8.96 +/- 1.33   0.056% *  0.0844% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HB    ILE   56  12.85 +/- 0.78   0.004% *  0.2076% (0.49   0.02   0.02) =   0.000%
          HB    ILE   89 - HB    ILE   56  15.52 +/- 0.54   0.001% *  0.2759% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    ILE   56  14.83 +/- 0.46   0.002% *  0.1316% (0.31   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB    ILE   56  21.03 +/- 0.72   0.000% *  0.4180% (0.98   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HB    ILE   56  19.41 +/- 0.48   0.000% *  0.2244% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 569 (1.88, 1.27, 17.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 114.1:
    * O T HB    ILE   56 - QG2   ILE   56   2.12 +/- 0.00  99.768% * 97.3843% (1.00   5.40 114.14) = 100.000%  kept
          HB3   PRO   58 - QG2   ILE   56   7.02 +/- 0.11   0.077% *  0.1755% (0.49   0.02   0.23) =   0.000%
          HG2   ARG+  54 - QG2   ILE   56   7.07 +/- 0.43   0.080% *  0.1483% (0.41   0.02   0.02) =   0.000%
          HB2   MET   92 - QG2   ILE   56   7.74 +/- 0.27   0.044% *  0.2477% (0.69   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   ILE   56   8.91 +/- 0.56   0.020% *  0.2756% (0.76   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   ILE   56  11.23 +/- 0.50   0.005% *  0.1617% (0.45   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE   56  12.07 +/- 0.53   0.003% *  0.2333% (0.65   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   ILE   56  14.99 +/- 0.55   0.001% *  0.3012% (0.84   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE   56  15.50 +/- 0.27   0.001% *  0.2619% (0.73   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   ILE   56  14.81 +/- 0.51   0.001% *  0.1353% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE   56  16.37 +/- 0.53   0.000% *  0.2042% (0.57   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE   56  16.98 +/- 0.43   0.000% *  0.1230% (0.34   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QG2   ILE   56  20.55 +/- 1.06   0.000% *  0.3480% (0.97   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 4.74, residual support = 114.1:
    * O T QG1   ILE   56 - QG2   ILE   56   2.14 +/- 0.01  99.877% * 98.6908% (1.00   4.74 114.14) = 100.000%  kept
          HB3   MET   92 - QG2   ILE   56   7.07 +/- 0.70   0.098% *  0.0823% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QG2   ILE   56   9.74 +/- 0.77   0.013% *  0.2025% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG2   ILE   56  10.38 +/- 0.41   0.008% *  0.1284% (0.31   0.02   0.02) =   0.000%
          HB    ILE   89 - QG2   ILE   56  11.89 +/- 0.26   0.003% *  0.2692% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG2   ILE   56  16.05 +/- 0.70   0.001% *  0.4078% (0.98   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG2   ILE   56  14.87 +/- 0.54   0.001% *  0.2189% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 573 (4.38, 1.72, 31.79 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.9, residual support = 114.1:
    * O T HA    ILE   56 - QG1   ILE   56   2.51 +/- 0.08  99.763% * 97.6196% (1.00   3.90 114.14) = 100.000%  kept
        T HA    ASP- 113 - QG1   ILE   56   8.39 +/- 0.34   0.075% *  0.3236% (0.65   0.02   0.02) =   0.000%
          HA    PRO   58 - QG1   ILE   56   7.39 +/- 0.11   0.156% *  0.1391% (0.28   0.02   0.23) =   0.000%
          HA    LEU  123 - QG1   ILE   56  15.34 +/- 0.23   0.002% *  0.4903% (0.98   0.02   0.02) =   0.000%
        T HA    LYS+  99 - QG1   ILE   56  17.25 +/- 0.36   0.001% *  0.4732% (0.95   0.02   0.02) =   0.000%
          HA    LEU   40 - QG1   ILE   56  16.03 +/- 0.39   0.002% *  0.2056% (0.41   0.02   0.02) =   0.000%
          HA    ASN   35 - QG1   ILE   56  20.94 +/- 0.51   0.000% *  0.4991% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG1   ILE   56  18.64 +/- 0.46   0.001% *  0.1247% (0.25   0.02   0.02) =   0.000%
          HA    SER   13 - QG1   ILE   56  24.63 +/- 0.86   0.000% *  0.1247% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 574 (1.88, 1.72, 31.79 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 114.1:
    * O T HB    ILE   56 - QG1   ILE   56   2.34 +/- 0.03  99.756% * 96.9601% (1.00   4.63 114.14) =  99.999%  kept
          HB3   PRO   58 - QG1   ILE   56   7.08 +/- 0.15   0.130% *  0.2040% (0.49   0.02   0.23) =   0.000%
        T QB    LYS+ 106 - QG1   ILE   56   8.71 +/- 0.42   0.039% *  0.3203% (0.76   0.02   0.02) =   0.000%
          HB2   MET   92 - QG1   ILE   56   9.01 +/- 0.74   0.036% *  0.2879% (0.69   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG1   ILE   56   9.47 +/- 0.33   0.023% *  0.1723% (0.41   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG1   ILE   56  10.85 +/- 0.32   0.010% *  0.1879% (0.45   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG1   ILE   56  14.26 +/- 0.50   0.002% *  0.2711% (0.65   0.02   0.02) =   0.000%
          HB    ILE  103 - QG1   ILE   56  15.25 +/- 0.38   0.001% *  0.1573% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG1   ILE   56  17.46 +/- 0.48   0.001% *  0.3501% (0.84   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG1   ILE   56  18.35 +/- 0.30   0.000% *  0.3043% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG1   ILE   56  18.50 +/- 0.44   0.000% *  0.2373% (0.57   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG1   ILE   56  18.17 +/- 0.33   0.000% *  0.1430% (0.34   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG1   ILE   56  22.03 +/- 0.94   0.000% *  0.4045% (0.97   0.02   0.02) =   0.000%
    Distance limit 2.83 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 = 4.74, residual support = 114.1:
    * O T QG2   ILE   56 - QG1   ILE   56   2.14 +/- 0.01  99.967% * 97.9509% (1.00   4.74 114.14) = 100.000%  kept
          QB    ALA   91 - QG1   ILE   56   8.95 +/- 0.21   0.019% *  0.2999% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QG1   ILE   56   9.93 +/- 0.60   0.011% *  0.0817% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - QG1   ILE   56  14.69 +/- 0.31   0.001% *  0.3906% (0.95   0.02   0.02) =   0.000%
          QG2   THR   39 - QG1   ILE   56  15.29 +/- 0.49   0.001% *  0.2999% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   ILE   56  17.46 +/- 0.33   0.000% *  0.2671% (0.65   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG1   ILE   56  16.63 +/- 0.37   0.000% *  0.1550% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - QG1   ILE   56  17.33 +/- 0.77   0.000% *  0.0723% (0.18   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG1   ILE   56  18.17 +/- 0.72   0.000% *  0.0919% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QG1   ILE   56  23.44 +/- 1.26   0.000% *  0.3906% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.89, support = 6.32, residual support = 124.4:
    * O T HA    PRO   58 - HD2   PRO   58   3.79 +/- 0.00  48.298% * 90.9195% (0.95   6.70 135.45) =  91.794%  kept
          HA    ILE   56 - HD2   PRO   58   3.75 +/- 0.15  51.542% *  7.6163% (0.26   2.02   0.23) =   8.206%  kept
          HA    THR   46 - HD2   PRO   58  10.29 +/- 0.50   0.126% *  0.1645% (0.57   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   58  13.60 +/- 0.73   0.024% *  0.1427% (0.50   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   58  19.43 +/- 0.67   0.003% *  0.2706% (0.94   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   58  21.12 +/- 0.28   0.002% *  0.2618% (0.91   0.02   0.02) =   0.000%
          HA    LEU  123 - HD2   PRO   58  18.80 +/- 0.49   0.003% *  0.1018% (0.36   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   58  25.45 +/- 1.33   0.001% *  0.2706% (0.94   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD2   PRO   58  22.99 +/- 0.32   0.001% *  0.0418% (0.15   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   58  28.48 +/- 0.45   0.000% *  0.1427% (0.50   0.02   0.02) =   0.000%
          HA    ASN   35 - HD2   PRO   58  26.62 +/- 0.50   0.000% *  0.0676% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (2.35, 3.81, 50.93 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 6.62, residual support = 135.4:
    * O T HB2   PRO   58 - HD2   PRO   58   3.53 +/- 0.00  99.785% * 99.3473% (0.95   6.62 135.45) = 100.000%  kept
          HB2   GLN  116 - HD2   PRO   58  11.75 +/- 0.56   0.077% *  0.1700% (0.54   0.02   0.02) =   0.000%
          HG2   PRO   52 - HD2   PRO   58  10.73 +/- 0.35   0.130% *  0.0463% (0.15   0.02   0.02) =   0.000%
          HB3   PHE   97 - HD2   PRO   58  17.52 +/- 0.25   0.007% *  0.2181% (0.69   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HD2   PRO   58  27.56 +/- 0.44   0.000% *  0.1347% (0.42   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   58  29.56 +/- 0.55   0.000% *  0.0835% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 585 (1.89, 3.81, 50.93 ppm):
    12 chemical-shift based assignments, quality = 0.775, support = 0.0196, residual support = 111.6:
    * O T HB3   PRO   58 - HD2   PRO   58   4.12 +/- 0.00  76.064% * 12.9891% (0.79   0.02 135.45) =  82.340%  kept
          HB    ILE   56 - HD2   PRO   58   5.44 +/- 0.10  14.518% * 12.9891% (0.79   0.02   0.23) =  15.716%  kept
          HG2   ARG+  54 - HD2   PRO   58   5.98 +/- 0.52   9.312% *  2.3994% (0.15   0.02   0.02) =   1.862%
          HB2   MET   92 - HD2   PRO   58  14.64 +/- 0.55   0.039% * 15.0076% (0.91   0.02   0.02) =   0.049%
          QB    LYS+ 106 - HD2   PRO   58  15.28 +/- 0.40   0.030% *  6.3931% (0.39   0.02   0.02) =   0.016%
        T HB3   GLN   30 - HD2   PRO   58  21.16 +/- 0.45   0.004% * 15.5508% (0.95   0.02   0.02) =   0.005%
          HB3   GLN   90 - HD2   PRO   58  18.78 +/- 0.98   0.009% *  4.7997% (0.29   0.02   0.02) =   0.004%
          HB3   ASP- 105 - HD2   PRO   58  17.05 +/- 0.41   0.015% *  2.7234% (0.17   0.02   0.02) =   0.004%
          QB    LYS+  81 - HD2   PRO   58  22.18 +/- 0.44   0.003% *  5.8364% (0.36   0.02   0.02) =   0.002%
        T HB3   LYS+  38 - HD2   PRO   58  27.74 +/- 1.30   0.001% * 14.7104% (0.89   0.02   0.02) =   0.001%
          QB    LYS+  33 - HD2   PRO   58  22.01 +/- 0.50   0.003% *  3.8776% (0.24   0.02   0.02) =   0.001%
          HG3   MET   11 - HD2   PRO   58  29.75 +/- 3.21   0.001% *  2.7234% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 20 structures by 0.45 A, eliminated.
    Peak unassigned.
 
    Peak 586 (2.08, 3.81, 50.93 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.62, residual support = 135.4:
    * O T HG2   PRO   58 - HD2   PRO   58   2.85 +/- 0.18  99.766% * 98.8029% (0.95   6.62 135.45) = 100.000%  kept
        T HG3   PRO   52 - HD2   PRO   58   9.87 +/- 0.40   0.063% *  0.2987% (0.95   0.02   0.02) =   0.000%
          HB2   PRO   93 - HD2   PRO   58   8.43 +/- 0.54   0.170% *  0.0922% (0.29   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   58  22.72 +/- 1.81   0.000% *  0.2961% (0.94   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   58  19.72 +/- 1.06   0.001% *  0.1121% (0.36   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   58  29.71 +/- 3.13   0.000% *  0.2928% (0.93   0.02   0.02) =   0.000%
          QB    GLN   32 - HD2   PRO   58  25.21 +/- 0.42   0.000% *  0.0591% (0.19   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   58  25.07 +/- 0.92   0.000% *  0.0461% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 587 (3.81, 3.81, 50.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   58 - HD2   PRO   58  (0.89)  kept
 
    Peak 588 (4.41, 4.41, 66.06 ppm):
    1 diagonal assignment:
    *     HA    PRO   58 - HA    PRO   58  (1.00)  kept
 
    Peak 589 (2.35, 4.41, 66.06 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 135.4:
    * O T HB2   PRO   58 - HA    PRO   58   2.30 +/- 0.00  99.993% * 99.2784% (1.00   5.98 135.45) = 100.000%  kept
        T HB2   GLN  116 - HA    PRO   58  12.15 +/- 0.64   0.005% *  0.1880% (0.57   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    PRO   58  16.53 +/- 0.25   0.001% *  0.2411% (0.73   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    PRO   58  14.40 +/- 0.35   0.002% *  0.0512% (0.15   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    PRO   58  26.18 +/- 0.38   0.000% *  0.1489% (0.45   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   58  29.33 +/- 0.55   0.000% *  0.0923% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 590 (1.89, 4.41, 66.06 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 6.18, residual support = 135.4:
    * O T HB3   PRO   58 - HA    PRO   58   2.73 +/- 0.00  99.740% * 97.8793% (0.84   6.18 135.45) = 100.000%  kept
        T HB    ILE   56 - HA    PRO   58   8.34 +/- 0.04   0.124% *  0.3166% (0.84   0.02   0.23) =   0.000%
          HG2   ARG+  54 - HA    PRO   58   8.49 +/- 0.74   0.128% *  0.0585% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    PRO   58  17.11 +/- 0.32   0.002% *  0.3658% (0.97   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    PRO   58  15.87 +/- 0.30   0.003% *  0.1558% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    PRO   58  20.10 +/- 0.48   0.001% *  0.3790% (1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   58  16.39 +/- 0.46   0.002% *  0.0664% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    PRO   58  25.85 +/- 1.38   0.000% *  0.3585% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   58  20.44 +/- 0.58   0.001% *  0.0945% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   58  21.62 +/- 0.89   0.000% *  0.1170% (0.31   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    PRO   58  23.56 +/- 0.41   0.000% *  0.1423% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    PRO   58  26.71 +/- 3.17   0.000% *  0.0664% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 591 (2.08, 4.41, 66.06 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 135.4:
    * O T HG2   PRO   58 - HA    PRO   58   3.96 +/- 0.03  99.691% * 98.6772% (1.00   5.98 135.45) = 100.000%  kept
        T HG3   PRO   52 - HA    PRO   58  13.42 +/- 0.43   0.067% *  0.3301% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    PRO   58  11.14 +/- 0.37   0.206% *  0.1019% (0.31   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   58  16.29 +/- 1.15   0.023% *  0.1239% (0.38   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   58  20.07 +/- 1.69   0.007% *  0.3272% (0.99   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   58  26.64 +/- 3.04   0.002% *  0.3235% (0.98   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   58  24.12 +/- 0.41   0.002% *  0.0653% (0.20   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   58  25.51 +/- 0.82   0.001% *  0.0509% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.13 A, kept.
 
    Peak 592 (3.81, 4.41, 66.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.7, residual support = 135.4:
    * O T HD2   PRO   58 - HA    PRO   58   3.79 +/- 0.00  99.723% * 99.1897% (0.95   6.70 135.45) = 100.000%  kept
          HB2   CYS   53 - HA    PRO   58  10.41 +/- 0.89   0.274% *  0.1067% (0.34   0.02   0.02) =   0.000%
          HA    VAL   83 - HA    PRO   58  24.95 +/- 0.42   0.001% *  0.3066% (0.98   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HA    PRO   58  25.69 +/- 0.32   0.001% *  0.3100% (0.99   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HA    PRO   58  24.92 +/- 0.68   0.001% *  0.0870% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 593 (4.41, 2.35, 31.07 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 135.4:
    * O T HA    PRO   58 - HB2   PRO   58   2.30 +/- 0.00  99.706% * 98.1366% (1.00   5.98 135.45) = 100.000%  kept
          HA    ILE   56 - HB2   PRO   58   6.11 +/- 0.11   0.287% *  0.0913% (0.28   0.02   0.23) =   0.000%
          HA    GLN   17 - HB2   PRO   58  12.85 +/- 0.80   0.004% *  0.1727% (0.53   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   PRO   58  13.55 +/- 0.49   0.002% *  0.1991% (0.61   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   PRO   58  18.73 +/- 0.81   0.000% *  0.3275% (1.00   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   PRO   58  17.14 +/- 0.60   0.001% *  0.1232% (0.38   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   PRO   58  21.34 +/- 0.32   0.000% *  0.3168% (0.97   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   PRO   58  24.39 +/- 1.53   0.000% *  0.3275% (1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   PRO   58  28.46 +/- 0.47   0.000% *  0.1727% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PRO   58  23.38 +/- 0.30   0.000% *  0.0507% (0.15   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PRO   58  27.31 +/- 0.54   0.000% *  0.0819% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 594 (2.35, 2.35, 31.07 ppm):
    1 diagonal assignment:
    *     HB2   PRO   58 - HB2   PRO   58  (1.00)  kept
 
    Peak 595 (1.89, 2.35, 31.07 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 4.2, residual support = 135.4:
    * O T HB3   PRO   58 - HB2   PRO   58   1.75 +/- 0.00  99.982% * 96.9054% (0.84   4.20 135.45) = 100.000%  kept
          HB    ILE   56 - HB2   PRO   58   8.51 +/- 0.09   0.008% *  0.4620% (0.84   0.02   0.23) =   0.000%
          HG2   ARG+  54 - HB2   PRO   58   8.38 +/- 0.74   0.010% *  0.0853% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   PRO   58  17.87 +/- 0.54   0.000% *  0.5338% (0.97   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   PRO   58  16.81 +/- 0.31   0.000% *  0.2274% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   PRO   58  22.34 +/- 0.47   0.000% *  0.5531% (1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   58  17.59 +/- 0.42   0.000% *  0.0969% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   58  22.27 +/- 0.96   0.000% *  0.1707% (0.31   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PRO   58  27.84 +/- 1.36   0.000% *  0.5232% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   58  22.47 +/- 0.58   0.000% *  0.1379% (0.25   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   58  24.83 +/- 0.43   0.000% *  0.2076% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   58  28.45 +/- 3.34   0.000% *  0.0969% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (2.08, 2.35, 31.07 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 135.4:
    * O T HG2   PRO   58 - HB2   PRO   58   2.89 +/- 0.19  99.962% * 98.0356% (1.00   4.00 135.45) = 100.000%  kept
        T HG3   PRO   52 - HB2   PRO   58  13.28 +/- 0.37   0.011% *  0.4902% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   PRO   58  11.77 +/- 0.48   0.024% *  0.1513% (0.31   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   58  18.08 +/- 1.15   0.002% *  0.1840% (0.38   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   58  22.10 +/- 1.71   0.001% *  0.4858% (0.99   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   58  28.36 +/- 3.22   0.000% *  0.4805% (0.98   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   58  26.12 +/- 0.41   0.000% *  0.0970% (0.20   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   58  27.42 +/- 0.85   0.000% *  0.0756% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 597 (3.81, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.62, residual support = 135.4:
    * O T HD2   PRO   58 - HB2   PRO   58   3.53 +/- 0.00  99.861% * 99.1789% (0.95   6.62 135.45) = 100.000%  kept
          HB2   CYS   53 - HB2   PRO   58  10.79 +/- 0.79   0.138% *  0.1081% (0.34   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   PRO   58  26.53 +/- 0.44   0.001% *  0.3107% (0.98   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB2   PRO   58  27.61 +/- 0.31   0.000% *  0.3142% (0.99   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB2   PRO   58  26.98 +/- 0.68   0.001% *  0.0881% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 598 (4.41, 1.89, 31.07 ppm):
    11 chemical-shift based assignments, quality = 0.835, support = 6.18, residual support = 135.4:
    * O T HA    PRO   58 - HB3   PRO   58   2.73 +/- 0.00  98.544% * 98.1971% (0.84   6.18 135.45) =  99.999%  kept
        T HA    ILE   56 - HB3   PRO   58   5.53 +/- 0.08   1.435% *  0.0883% (0.23   0.02   0.23) =   0.001%
          HA    GLN   17 - HB3   PRO   58  13.01 +/- 0.78   0.009% *  0.1671% (0.44   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   PRO   58  13.73 +/- 0.47   0.006% *  0.1926% (0.51   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   PRO   58  15.63 +/- 0.57   0.003% *  0.1192% (0.31   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   PRO   58  18.82 +/- 0.75   0.001% *  0.3169% (0.83   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   PRO   58  20.33 +/- 0.37   0.001% *  0.3065% (0.81   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   58  24.67 +/- 1.42   0.000% *  0.3169% (0.83   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PRO   58  22.32 +/- 0.31   0.000% *  0.0490% (0.13   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   58  27.78 +/- 0.45   0.000% *  0.1671% (0.44   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PRO   58  26.56 +/- 0.55   0.000% *  0.0792% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 599 (2.35, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.2, residual support = 135.4:
    * O T HB2   PRO   58 - HB3   PRO   58   1.75 +/- 0.00  99.996% * 98.9747% (0.84   4.20 135.45) = 100.000%  kept
          HB2   GLN  116 - HB3   PRO   58   9.88 +/- 0.69   0.003% *  0.2671% (0.47   0.02   0.02) =   0.000%
        T HB3   PHE   97 - HB3   PRO   58  16.82 +/- 0.25   0.000% *  0.3426% (0.61   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   PRO   58  14.27 +/- 0.39   0.000% *  0.0728% (0.13   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   PRO   58  26.78 +/- 0.42   0.000% *  0.2115% (0.37   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   58  31.62 +/- 0.49   0.000% *  0.1312% (0.23   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 600 (1.89, 1.89, 31.07 ppm):
    1 diagonal assignment:
    *     HB3   PRO   58 - HB3   PRO   58  (0.70)  kept
 
    Peak 601 (2.08, 1.89, 31.07 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.2, residual support = 135.4:
    * O T HG2   PRO   58 - HB3   PRO   58   2.35 +/- 0.15  99.989% * 98.1254% (0.84   4.20 135.45) = 100.000%  kept
        T HG3   PRO   52 - HB3   PRO   58  13.50 +/- 0.40   0.003% *  0.4678% (0.84   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   PRO   58  11.70 +/- 0.45   0.007% *  0.1444% (0.26   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   58  17.60 +/- 1.02   0.001% *  0.1756% (0.31   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HB3   PRO   58  22.46 +/- 1.61   0.000% *  0.4636% (0.83   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   PRO   58  28.62 +/- 3.06   0.000% *  0.4585% (0.82   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   58  25.81 +/- 0.38   0.000% *  0.0926% (0.17   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   58  27.53 +/- 0.85   0.000% *  0.0722% (0.13   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 2 structures by 0.03 A, kept.
 
    Peak 602 (3.81, 1.89, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 6.96, residual support = 135.4:
    * O T HD2   PRO   58 - HB3   PRO   58   4.12 +/- 0.00  99.763% * 99.2191% (0.79   6.96 135.45) = 100.000%  kept
          HB2   CYS   53 - HB3   PRO   58  11.49 +/- 0.72   0.232% *  0.1028% (0.28   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   PRO   58  26.44 +/- 0.43   0.001% *  0.2955% (0.82   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB3   PRO   58  26.57 +/- 0.31   0.001% *  0.2988% (0.83   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB3   PRO   58  26.10 +/- 0.66   0.002% *  0.0838% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.21 A, kept.
 
    Peak 603 (4.41, 2.08, 28.60 ppm):
    22 chemical-shift based assignments, quality = 0.955, support = 5.67, residual support = 127.0:
    * O T HA    PRO   58 - HG2   PRO   58   3.96 +/- 0.03  40.710% * 92.2720% (1.00   5.98 135.45) =  93.733%  kept
          HA    ILE   56 - HG2   PRO   58   3.76 +/- 0.34  57.097% *  4.3935% (0.28   1.02   0.23) =   6.260%  kept
          HA    THR   46 - HG3   PRO   52   7.02 +/- 0.84   1.710% *  0.1516% (0.49   0.02   0.02) =   0.006%
          HA    ILE   56 - HG3   PRO   52   8.78 +/- 0.51   0.372% *  0.0695% (0.23   0.02   0.02) =   0.001%
          HA    THR   46 - HG2   PRO   58  12.32 +/- 0.46   0.046% *  0.1872% (0.61   0.02   0.02) =   0.000%
        T HA    PRO   58 - HG3   PRO   52  13.42 +/- 0.43   0.027% *  0.2499% (0.81   0.02   0.02) =   0.000%
          HA    GLN   17 - HG2   PRO   58  14.39 +/- 0.75   0.019% *  0.1624% (0.53   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   PRO   58  16.90 +/- 0.72   0.007% *  0.1158% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   PRO   58  20.22 +/- 0.68   0.002% *  0.3080% (1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   PRO   58  20.92 +/- 0.56   0.002% *  0.2979% (0.97   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   52  20.83 +/- 0.84   0.002% *  0.1315% (0.43   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   52  24.83 +/- 0.92   0.001% *  0.2411% (0.78   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   PRO   58  26.26 +/- 1.33   0.000% *  0.3080% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   52  25.98 +/- 0.85   0.001% *  0.2493% (0.81   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   PRO   52  25.63 +/- 0.70   0.001% *  0.0938% (0.30   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG2   PRO   58  22.76 +/- 0.56   0.001% *  0.0476% (0.15   0.02   0.02) =   0.000%
          HA    SER   37 - HG2   PRO   58  28.69 +/- 0.45   0.000% *  0.1624% (0.53   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   52  32.29 +/- 1.14   0.000% *  0.2493% (0.81   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   PRO   58  26.97 +/- 0.61   0.000% *  0.0770% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG3   PRO   52  26.00 +/- 0.99   0.001% *  0.0386% (0.12   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   52  32.56 +/- 0.86   0.000% *  0.1315% (0.43   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   PRO   52  28.95 +/- 1.00   0.000% *  0.0623% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 604 (2.35, 2.08, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.328, support = 5.53, residual support = 190.1:
      O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  94.637% * 15.4701% (0.12   6.00 206.66) =  76.787%  kept
    * O T HB2   PRO   58 - HG2   PRO   58   2.89 +/- 0.19   5.357% * 82.6226% (1.00   4.00 135.45) =  23.213%  kept
          HB2   GLN  116 - HG2   PRO   58   9.32 +/- 0.81   0.005% *  0.2339% (0.57   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  13.28 +/- 0.37   0.001% *  0.3344% (0.81   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   PRO   58  12.11 +/- 0.43   0.001% *  0.0637% (0.15   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   PRO   58  16.96 +/- 0.61   0.000% *  0.3000% (0.73   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG3   PRO   52  15.83 +/- 0.57   0.000% *  0.1893% (0.46   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   PRO   52  20.42 +/- 0.89   0.000% *  0.2429% (0.59   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   PRO   58  27.16 +/- 0.69   0.000% *  0.1852% (0.45   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   PRO   52  30.02 +/- 1.11   0.000% *  0.1499% (0.36   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  28.93 +/- 0.99   0.000% *  0.0930% (0.23   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  31.47 +/- 0.48   0.000% *  0.1149% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 605 (1.89, 2.08, 28.60 ppm):
    24 chemical-shift based assignments, quality = 0.835, support = 4.2, residual support = 135.4:
    * O T HB3   PRO   58 - HG2   PRO   58   2.35 +/- 0.15  99.010% * 94.1933% (0.84   4.20 135.45) =  99.996%  kept
          HB    ILE   56 - HG3   PRO   52   6.28 +/- 0.65   0.364% *  0.3635% (0.68   0.02   0.02) =   0.001%
          HB    ILE   56 - HG2   PRO   58   6.27 +/- 0.24   0.282% *  0.4490% (0.84   0.02   0.23) =   0.001%
          HB2   MET   92 - HG3   PRO   52   8.21 +/- 1.48   0.223% *  0.4200% (0.78   0.02   0.02) =   0.001%
          HG2   ARG+  54 - HG2   PRO   58   8.59 +/- 0.64   0.062% *  0.0829% (0.15   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   PRO   52   9.04 +/- 0.28   0.033% *  0.0672% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  10.63 +/- 1.50   0.016% *  0.1343% (0.25   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG3   PRO   52  13.50 +/- 0.40   0.003% *  0.3635% (0.68   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   PRO   58  15.92 +/- 0.70   0.001% *  0.5188% (0.97   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   PRO   52  14.56 +/- 0.94   0.002% *  0.1789% (0.33   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   PRO   58  14.98 +/- 0.53   0.002% *  0.2210% (0.41   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  16.08 +/- 0.67   0.001% *  0.0941% (0.18   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  17.90 +/- 0.73   0.001% *  0.1633% (0.30   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   PRO   58  22.43 +/- 0.46   0.000% *  0.5376% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   PRO   52  23.22 +/- 1.02   0.000% *  0.4352% (0.81   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  20.71 +/- 0.88   0.000% *  0.1659% (0.31   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  19.66 +/- 0.83   0.000% *  0.0762% (0.14   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   PRO   58  27.58 +/- 1.36   0.000% *  0.5085% (0.95   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  24.21 +/- 0.40   0.000% *  0.2018% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  22.79 +/- 0.53   0.000% *  0.1341% (0.25   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  24.96 +/- 0.89   0.000% *  0.1085% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   PRO   52  31.28 +/- 0.93   0.000% *  0.4117% (0.77   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG2   PRO   58  30.41 +/- 3.14   0.000% *  0.0941% (0.18   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   PRO   52  36.79 +/- 3.17   0.000% *  0.0762% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.03 A, kept.
 
    Peak 606 (2.08, 2.08, 28.60 ppm):
    2 diagonal assignments:
    *     HG2   PRO   58 - HG2   PRO   58  (1.00)  kept
          HG3   PRO   52 - HG3   PRO   52  (0.81)  kept
 
    Peak 607 (3.81, 2.08, 28.60 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 6.62, residual support = 135.4:
    * O T HD2   PRO   58 - HG2   PRO   58   2.85 +/- 0.18  97.715% * 98.2869% (0.95   6.62 135.45) =  99.998%  kept
          HB2   CYS   53 - HG3   PRO   52   5.51 +/- 0.46   2.161% *  0.0867% (0.28   0.02  51.51) =   0.002%
        T HD2   PRO   58 - HG3   PRO   52   9.87 +/- 0.40   0.061% *  0.2406% (0.77   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   PRO   58   9.94 +/- 0.58   0.061% *  0.1072% (0.34   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   52  19.39 +/- 1.27   0.001% *  0.2493% (0.79   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   PRO   58  25.40 +/- 0.51   0.000% *  0.3079% (0.98   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG2   PRO   58  27.03 +/- 0.56   0.000% *  0.3113% (0.99   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   52  29.85 +/- 0.97   0.000% *  0.2521% (0.80   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   58  26.72 +/- 0.70   0.000% *  0.0873% (0.28   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   52  29.87 +/- 0.94   0.000% *  0.0707% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 608 (4.35, 4.35, 60.90 ppm):
    1 diagonal assignment:
    *     HA    PHE   59 - HA    PHE   59  (1.00)  kept
 
    Peak 609 (3.32, 4.35, 60.90 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.99, residual support = 55.2:
    * O T HB2   PHE   59 - HA    PHE   59   3.07 +/- 0.01  99.698% * 97.6069% (1.00   2.99  55.16) =  99.998%  kept
          QB    PHE   55 - HA    PHE   59   8.61 +/- 0.24   0.208% *  0.5855% (0.90   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HA    PHE   59  11.51 +/- 0.93   0.041% *  0.3435% (0.53   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    PHE   59  12.22 +/- 0.47   0.026% *  0.3960% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   59  13.16 +/- 0.64   0.017% *  0.5453% (0.84   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   59  14.23 +/- 0.41   0.010% *  0.5228% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 610 (3.16, 4.35, 60.90 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.96, residual support = 55.2:
    * O T HB3   PHE   59 - HA    PHE   59   2.52 +/- 0.07 100.000% * 99.7740% (1.00   3.96  55.16) = 100.000%  kept
          HB3   TRP   49 - HA    PHE   59  20.62 +/- 0.95   0.000% *  0.2260% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 611 (4.35, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.99, residual support = 55.2:
    * O T HA    PHE   59 - HB2   PHE   59   3.07 +/- 0.01  99.929% * 98.9302% (1.00   2.99  55.16) = 100.000%  kept
          HA    ASP- 113 - HB2   PHE   59  10.41 +/- 0.34   0.067% *  0.3746% (0.57   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PHE   59  17.98 +/- 0.43   0.003% *  0.1650% (0.25   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   PHE   59  23.31 +/- 0.29   0.001% *  0.4281% (0.65   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PHE   59  22.26 +/- 0.54   0.001% *  0.1021% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 55.2:
    * O T HB3   PHE   59 - HB2   PHE   59   1.75 +/- 0.00 100.000% * 99.7400% (1.00   3.44  55.16) = 100.000%  kept
          HB3   TRP   49 - HB2   PHE   59  18.20 +/- 0.99   0.000% *  0.2600% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 614 (4.35, 3.16, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.96, residual support = 55.2:
    * O T HA    PHE   59 - HB3   PHE   59   2.52 +/- 0.07  99.947% * 99.1897% (1.00   3.96  55.16) = 100.000%  kept
          HA    ASP- 113 - HB3   PHE   59   8.93 +/- 0.36   0.052% *  0.2837% (0.57   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PHE   59  18.93 +/- 0.35   0.001% *  0.1250% (0.25   0.02   0.02) =   0.000%
          HA    TRP   87 - HB3   PHE   59  24.45 +/- 0.33   0.000% *  0.3242% (0.65   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PHE   59  23.52 +/- 0.58   0.000% *  0.0773% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 55.2:
    * O T HB2   PHE   59 - HB3   PHE   59   1.75 +/- 0.00  99.967% * 97.9133% (1.00   3.44  55.16) = 100.000%  kept
          QB    PHE   55 - HB3   PHE   59   6.89 +/- 0.29   0.028% *  0.5105% (0.90   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB3   PHE   59  10.66 +/- 0.48   0.002% *  0.3453% (0.61   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB3   PHE   59  11.01 +/- 0.93   0.002% *  0.2995% (0.53   0.02   0.02) =   0.000%
          HD3   PRO   93 - HB3   PHE   59  12.01 +/- 0.37   0.001% *  0.4558% (0.80   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB3   PHE   59  15.25 +/- 0.61   0.000% *  0.4755% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.61 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 = 69.8:
    * O T HB2   PHE   60 - HA    PHE   60   2.89 +/- 0.13  99.999% * 99.5069% (1.00   4.00  69.81) = 100.000%  kept
          HB2   TRP   87 - HA    PHE   60  22.16 +/- 0.29   0.001% *  0.4931% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 69.8:
    * O T HB3   PHE   60 - HA    PHE   60   2.89 +/- 0.15  99.929% * 98.9080% (1.00   4.00  69.81) = 100.000%  kept
          HB2   PHE   97 - HA    PHE   60  10.30 +/- 0.34   0.052% *  0.2602% (0.53   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    PHE   60  13.10 +/- 0.99   0.014% *  0.4678% (0.95   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   60  16.16 +/- 0.51   0.004% *  0.2407% (0.49   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    PHE   60  19.54 +/- 0.46   0.001% *  0.1233% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 69.8:
    * O T HA    PHE   60 - HB2   PHE   60   2.89 +/- 0.13  99.924% * 99.2051% (1.00   4.00  69.81) = 100.000%  kept
          HB    THR   94 - HB2   PHE   60  10.75 +/- 0.71   0.039% *  0.1104% (0.22   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   60  13.24 +/- 0.57   0.011% *  0.3009% (0.61   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   60  13.76 +/- 0.28   0.009% *  0.1692% (0.34   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   PHE   60  13.15 +/- 0.91   0.013% *  0.0765% (0.15   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   60  15.54 +/- 0.44   0.004% *  0.1379% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 69.8:
    * O T HB3   PHE   60 - HB2   PHE   60   1.75 +/- 0.00  99.998% * 98.9080% (1.00   4.00  69.81) = 100.000%  kept
          HB2   PHE   97 - HB2   PHE   60  12.00 +/- 0.61   0.001% *  0.2602% (0.53   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   PHE   60  13.66 +/- 1.33   0.001% *  0.4678% (0.95   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   PHE   60  15.22 +/- 0.51   0.000% *  0.2407% (0.49   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB2   PHE   60  20.37 +/- 0.42   0.000% *  0.1233% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.71 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 = 69.8:
    * O T HA    PHE   60 - HB3   PHE   60   2.89 +/- 0.15  99.932% * 99.2051% (1.00   4.00  69.81) = 100.000%  kept
          HB    THR   94 - HB3   PHE   60  11.04 +/- 0.82   0.033% *  0.1104% (0.22   0.02   0.02) =   0.000%
          QB    SER  117 - HB3   PHE   60  13.47 +/- 0.73   0.010% *  0.3009% (0.61   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   PHE   60  13.98 +/- 0.37   0.008% *  0.1692% (0.34   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   PHE   60  13.23 +/- 1.01   0.013% *  0.0765% (0.15   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB3   PHE   60  15.67 +/- 0.59   0.004% *  0.1379% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 69.8:
    * O T HB2   PHE   60 - HB3   PHE   60   1.75 +/- 0.00 100.000% * 99.5069% (1.00   4.00  69.81) = 100.000%  kept
          HB2   TRP   87 - HB3   PHE   60  21.22 +/- 0.69   0.000% *  0.4931% (0.99   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 625 (2.97, 2.97, 40.02 ppm):
    1 diagonal assignment:
    *     HB3   PHE   60 - HB3   PHE   60  (1.00)  kept
 
    Peak 626 (3.74, 3.74, 54.57 ppm):
    1 diagonal assignment:
    *     HA    ALA   61 - HA    ALA   61  (1.00)  kept
 
    Peak 627 (1.43, 3.74, 54.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 17.9:
    * O T QB    ALA   61 - HA    ALA   61   2.13 +/- 0.02  99.896% * 93.9288% (1.00   2.21  17.87) =  99.999%  kept
          QG    LYS+  66 - HA    ALA   61   7.59 +/- 0.77   0.059% *  0.7102% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA   61   9.82 +/- 0.65   0.012% *  0.8205% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   61   9.34 +/- 0.55   0.015% *  0.2364% (0.28   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA   61  11.63 +/- 0.98   0.004% *  0.7375% (0.87   0.02   0.02) =   0.000%
        T QB    ALA  110 - HA    ALA   61  11.82 +/- 0.33   0.004% *  0.7849% (0.92   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA   61  12.07 +/- 0.35   0.003% *  0.5500% (0.65   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA   61  11.45 +/- 0.54   0.004% *  0.1683% (0.20   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA   61  13.21 +/- 0.64   0.002% *  0.1683% (0.20   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   61  19.50 +/- 1.14   0.000% *  0.8043% (0.95   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   61  16.91 +/- 0.72   0.000% *  0.2624% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   61  19.34 +/- 0.49   0.000% *  0.3812% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   61  24.03 +/- 1.01   0.000% *  0.4473% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 628 (3.74, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 17.9:
    * O T HA    ALA   61 - QB    ALA   61   2.13 +/- 0.02  99.350% * 96.5557% (1.00   2.21  17.87) =  99.998%  kept
          HD3   PRO   58 - QB    ALA   61   5.35 +/- 0.18   0.412% *  0.3918% (0.45   0.02   1.15) =   0.002%
          HD3   PRO   58 - QB    ALA  110   5.97 +/- 0.33   0.219% *  0.2900% (0.33   0.02   0.02) =   0.001%
          HD2   PRO   68 - QB    ALA   61  10.43 +/- 0.79   0.008% *  0.8268% (0.95   0.02   0.02) =   0.000%
        T HA    ALA   61 - QB    ALA  110  11.82 +/- 0.33   0.004% *  0.6468% (0.74   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   61  12.20 +/- 0.32   0.003% *  0.1946% (0.22   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA  110  12.44 +/- 0.35   0.003% *  0.1440% (0.16   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA  110  18.66 +/- 0.48   0.000% *  0.6118% (0.70   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   61  18.15 +/- 0.45   0.000% *  0.1946% (0.22   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA  110  18.56 +/- 0.46   0.000% *  0.1440% (0.16   0.02   0.02) =   0.000%
    Distance limit 2.85 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   2.98 +/- 0.09  99.998% * 99.6240% (1.00   3.00  41.03) = 100.000%  kept
          HB2   PRO   52 - HA    ASP-  62  18.06 +/- 0.52   0.002% *  0.3760% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.13 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   2.75 +/- 0.10  99.998% * 98.2309% (0.98   3.00  41.03) = 100.000%  kept
          HG3   MET   96 - HA    ASP-  62  17.80 +/- 0.33   0.001% *  0.5795% (0.87   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  62  25.23 +/- 2.00   0.000% *  0.4322% (0.65   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  62  26.21 +/- 1.03   0.000% *  0.3252% (0.49   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    ASP-  62  29.35 +/- 0.54   0.000% *  0.4322% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 633 (4.22, 2.65, 41.28 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 41.0:
    * O T HA    ASP-  62 - HB2   ASP-  62   2.98 +/- 0.09  99.963% * 98.8355% (1.00   3.00  41.03) = 100.000%  kept
          HA    SER  117 - HB2   ASP-  62  11.23 +/- 0.48   0.037% *  0.3730% (0.57   0.02   0.02) =   0.000%
          HB    THR   26 - HB2   ASP-  62  24.29 +/- 0.38   0.000% *  0.6082% (0.92   0.02   0.02) =   0.000%
          HA    SER   82 - HB2   ASP-  62  29.58 +/- 0.40   0.000% *  0.1832% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 634 (2.65, 2.65, 41.28 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  62 - HB2   ASP-  62  (1.00)  kept
 
    Peak 635 (2.45, 2.65, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB3   ASP-  62 - HB2   ASP-  62   1.75 +/- 0.00 100.000% * 98.2309% (0.98   3.00  41.03) = 100.000%  kept
          HG3   MET   96 - HB2   ASP-  62  16.40 +/- 0.43   0.000% *  0.5795% (0.87   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  62  25.69 +/- 1.85   0.000% *  0.4322% (0.65   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  62  27.03 +/- 0.94   0.000% *  0.3252% (0.49   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   ASP-  62  28.62 +/- 0.61   0.000% *  0.4322% (0.65   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   2.75 +/- 0.10  99.983% * 98.8355% (0.98   3.00  41.03) = 100.000%  kept
          HA    SER  117 - HB3   ASP-  62  12.07 +/- 0.66   0.016% *  0.3730% (0.55   0.02   0.02) =   0.000%
          HB    THR   26 - HB3   ASP-  62  24.26 +/- 0.41   0.000% *  0.6082% (0.90   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   ASP-  62  29.54 +/- 0.39   0.000% *  0.1832% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 637 (2.65, 2.45, 41.28 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.0, residual support = 41.0:
    * O T HB2   ASP-  62 - HB3   ASP-  62   1.75 +/- 0.00 100.000% * 99.6240% (0.98   3.00  41.03) = 100.000%  kept
        T HB2   PRO   52 - HB3   ASP-  62  15.94 +/- 0.67   0.000% *  0.3760% (0.55   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 = 243.6:
    * O T HB2   LEU   63 - HA    LEU   63   2.99 +/- 0.03  99.815% * 97.4956% (1.00   6.28 243.64) =  99.999%  kept
          HB3   ASP-  44 - HA    LEU   63   9.42 +/- 0.25   0.104% *  0.3043% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   63  11.06 +/- 0.35   0.040% *  0.2784% (0.90   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   63  14.04 +/- 0.95   0.010% *  0.2486% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   63  14.48 +/- 0.49   0.008% *  0.2008% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   63  14.73 +/- 0.48   0.007% *  0.1757% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   63  17.35 +/- 0.34   0.003% *  0.2593% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   63  14.15 +/- 0.48   0.009% *  0.0479% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LEU   63  20.35 +/- 0.60   0.001% *  0.2784% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   63  21.68 +/- 0.32   0.001% *  0.3043% (0.98   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   63  20.67 +/- 0.22   0.001% *  0.2132% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   63  20.26 +/- 1.40   0.001% *  0.1392% (0.45   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   63  24.49 +/- 0.42   0.000% *  0.0544% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 243.6:
    * O T HB3   LEU   63 - HA    LEU   63   2.56 +/- 0.12  97.703% * 99.1436% (1.00   5.98 243.64) =  99.997%  kept
          QD1   LEU  123 - HA    LEU   63   5.14 +/- 0.43   1.853% *  0.1131% (0.34   0.02   0.02) =   0.002%
          QG1   VAL   70 - HA    LEU   63   6.60 +/- 0.25   0.361% *  0.1878% (0.57   0.02   0.02) =   0.001%
          QG1   VAL   18 - HA    LEU   63   8.72 +/- 0.43   0.070% *  0.2278% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU   63  12.10 +/- 0.69   0.010% *  0.1131% (0.34   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    LEU   63  15.66 +/- 0.26   0.002% *  0.2145% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 243.6:
    * O T HG    LEU   63 - HA    LEU   63   2.84 +/- 0.23  99.819% * 99.3739% (1.00   5.98 243.64) = 100.000%  kept
          QG1   VAL  107 - HA    LEU   63   8.37 +/- 0.22   0.171% *  0.0513% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    LEU   63  13.85 +/- 0.53   0.009% *  0.2540% (0.76   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LEU   63  21.22 +/- 0.67   0.001% *  0.3208% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 643 (0.58, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.596, support = 5.71, residual support = 243.6:
        T QD2   LEU   63 - HA    LEU   63   2.21 +/- 0.27  95.845% * 36.0352% (0.57   5.71 243.64) =  93.179%  kept
    *   T QD1   LEU   63 - HA    LEU   63   3.85 +/- 0.09   3.999% * 63.2121% (1.00   5.67 243.64) =   6.820%  kept
          QD2   LEU  115 - HA    LEU   63   6.86 +/- 0.50   0.138% *  0.1862% (0.84   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HA    LEU   63  10.06 +/- 0.38   0.014% *  0.1262% (0.57   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  12.57 +/- 0.38   0.003% *  0.2229% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  18.03 +/- 0.34   0.000% *  0.1785% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   63  19.16 +/- 0.41   0.000% *  0.0390% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 644 (0.57, 3.50, 57.67 ppm):
    8 chemical-shift based assignments, quality = 0.977, support = 5.58, residual support = 238.1:
    *   T QD2   LEU   63 - HA    LEU   63   2.21 +/- 0.27  95.850% * 63.6576% (1.00   5.71 243.64) =  97.708%  kept
        T QD1   LEU   63 - HA    LEU   63   3.85 +/- 0.09   3.999% * 35.7925% (0.57   5.67 243.64) =   2.292%
          QD2   LEU  115 - HA    LEU   63   6.86 +/- 0.50   0.138% *  0.0556% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   63  11.20 +/- 0.31   0.007% *  0.1352% (0.61   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  12.57 +/- 0.38   0.003% *  0.1262% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   98 - HA    LEU   63  13.08 +/- 0.64   0.003% *  0.0916% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    LEU   63  19.96 +/- 1.13   0.000% *  0.0916% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  18.03 +/- 0.34   0.000% *  0.0496% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 645 (3.50, 1.34, 41.55 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 243.6:
    * O T HA    LEU   63 - HB2   LEU   63   2.99 +/- 0.03  99.997% * 99.6385% (1.00   6.28 243.64) = 100.000%  kept
        T HB2   HIS   22 - HB2   LEU   63  19.78 +/- 0.57   0.001% *  0.2424% (0.76   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB2   LEU   63  19.45 +/- 0.40   0.001% *  0.1191% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 243.6:
    * O T HB3   LEU   63 - HB2   LEU   63   1.75 +/- 0.00  99.923% * 99.1887% (1.00   6.31 243.64) = 100.000%  kept
          QG1   VAL   18 - HB2   LEU   63   6.81 +/- 0.60   0.033% *  0.2158% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   70 - HB2   LEU   63   7.41 +/- 0.23   0.018% *  0.1779% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   63   7.14 +/- 0.44   0.024% *  0.1072% (0.34   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU   63  11.35 +/- 0.93   0.002% *  0.1072% (0.34   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   63  14.01 +/- 0.27   0.000% *  0.2032% (0.65   0.02   0.02) =   0.000%
    Distance limit 2.74 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 = 243.6:
    * O T HG    LEU   63 - HB2   LEU   63   2.55 +/- 0.13  99.747% * 99.4069% (1.00   6.31 243.64) = 100.000%  kept
          QG1   VAL  107 - HB2   LEU   63   7.10 +/- 0.34   0.245% *  0.0486% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   LEU   63  12.55 +/- 0.72   0.008% *  0.2406% (0.76   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LEU   63  19.25 +/- 0.77   0.001% *  0.3039% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 0.962, support = 6.24, residual support = 243.6:
    * O T QD1   LEU   63 - HB2   LEU   63   2.30 +/- 0.12  85.265% * 63.3318% (1.00   6.23 243.64) =  91.200%  kept
      O T QD2   LEU   63 - HB2   LEU   63   3.16 +/- 0.18  14.479% * 35.9821% (0.57   6.26 243.64) =   8.799%  kept
          QD2   LEU  115 - HB2   LEU   63   6.29 +/- 0.45   0.235% *  0.1697% (0.84   0.02   0.02) =   0.001%
        T QD1   LEU   73 - HB2   LEU   63  10.93 +/- 0.52   0.008% *  0.2032% (1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   63  10.27 +/- 0.38   0.011% *  0.1150% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  15.86 +/- 0.47   0.001% *  0.1627% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   63  16.93 +/- 0.47   0.001% *  0.0356% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 0.667, support = 6.24, residual support = 243.6:
      O T QD1   LEU   63 - HB2   LEU   63   2.30 +/- 0.12  85.258% * 35.8871% (0.57   6.23 243.64) =  76.864%  kept
    * O T QD2   LEU   63 - HB2   LEU   63   3.16 +/- 0.18  14.478% * 63.6112% (1.00   6.26 243.64) =  23.136%  kept
          QD2   LEU  115 - HB2   LEU   63   6.29 +/- 0.45   0.235% *  0.0507% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   LEU   63   9.87 +/- 0.40   0.015% *  0.1233% (0.61   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU   63  10.93 +/- 0.52   0.008% *  0.1151% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   LEU   63  11.75 +/- 0.75   0.005% *  0.0836% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   LEU   63  17.74 +/- 1.17   0.000% *  0.0836% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  15.86 +/- 0.47   0.001% *  0.0453% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 243.6:
    * O T HA    LEU   63 - HB3   LEU   63   2.56 +/- 0.12  99.999% * 99.6203% (1.00   5.98 243.64) = 100.000%  kept
          HB2   HIS   22 - HB3   LEU   63  20.58 +/- 0.78   0.000% *  0.2547% (0.76   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   LEU   63  18.29 +/- 0.56   0.001% *  0.1251% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 243.6:
    * O T HB2   LEU   63 - HB3   LEU   63   1.75 +/- 0.00  99.976% * 97.5083% (1.00   6.31 243.64) = 100.000%  kept
          HB3   ASP-  44 - HB3   LEU   63   7.41 +/- 0.43   0.019% *  0.3027% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   63  11.75 +/- 0.55   0.001% *  0.2770% (0.90   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LEU   63  11.80 +/- 1.19   0.001% *  0.2473% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   63  13.07 +/- 0.57   0.001% *  0.1998% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   63  13.37 +/- 0.61   0.001% *  0.1749% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LEU   63  12.08 +/- 0.55   0.001% *  0.0477% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   63  16.33 +/- 0.53   0.000% *  0.2580% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LEU   63  18.15 +/- 0.95   0.000% *  0.2770% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   63  19.52 +/- 0.64   0.000% *  0.3027% (0.98   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   63  18.88 +/- 0.42   0.000% *  0.2122% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   63  18.77 +/- 1.48   0.000% *  0.1385% (0.45   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   63  22.69 +/- 0.52   0.000% *  0.0541% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.64 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 = 243.6:
    * O T HG    LEU   63 - HB3   LEU   63   3.00 +/- 0.11  99.440% * 99.3761% (1.00   6.00 243.64) = 100.000%  kept
          QG1   VAL  107 - HB3   LEU   63   7.22 +/- 0.36   0.547% *  0.0511% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU   63  13.81 +/- 0.82   0.011% *  0.2532% (0.76   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   LEU   63  19.32 +/- 0.88   0.001% *  0.3197% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 655 (0.58, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.827, support = 5.94, residual support = 243.6:
    * O T QD1   LEU   63 - HB3   LEU   63   2.40 +/- 0.13  46.058% * 63.3090% (1.00   5.93 243.64) =  60.095%  kept
      O T QD2   LEU   63 - HB3   LEU   63   2.35 +/- 0.21  53.828% * 35.9703% (0.57   5.95 243.64) =  39.904%  kept
          QD2   LEU  115 - HB3   LEU   63   6.95 +/- 0.50   0.092% *  0.1783% (0.84   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   63   8.99 +/- 0.38   0.016% *  0.1208% (0.57   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU   63  10.77 +/- 0.74   0.006% *  0.2134% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  16.17 +/- 0.66   0.000% *  0.1709% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   63  17.18 +/- 0.56   0.000% *  0.0374% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 0.859, support = 5.95, residual support = 243.6:
    * O T QD2   LEU   63 - HB3   LEU   63   2.35 +/- 0.21  53.827% * 63.5958% (1.00   5.95 243.64) =  67.444%  kept
      O T QD1   LEU   63 - HB3   LEU   63   2.40 +/- 0.13  46.057% * 35.8773% (0.57   5.93 243.64) =  32.556%  kept
          QD2   LEU  115 - HB3   LEU   63   6.95 +/- 0.50   0.092% *  0.0533% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   63   9.34 +/- 0.66   0.013% *  0.1296% (0.61   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU   63  10.77 +/- 0.74   0.006% *  0.1209% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   63  11.13 +/- 0.86   0.005% *  0.0878% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  16.17 +/- 0.66   0.000% *  0.0476% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   63  18.13 +/- 1.14   0.000% *  0.0878% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 243.6:
    * O T HA    LEU   63 - HG    LEU   63   2.84 +/- 0.23  99.998% * 99.6203% (1.00   5.98 243.64) = 100.000%  kept
          HB2   HIS   22 - HG    LEU   63  21.69 +/- 0.60   0.001% *  0.2547% (0.76   0.02   0.02) =   0.000%
          HA2   GLY  101 - HG    LEU   63  20.02 +/- 0.73   0.001% *  0.1251% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 243.6:
    * O T HB2   LEU   63 - HG    LEU   63   2.55 +/- 0.13  99.820% * 97.5083% (1.00   6.31 243.64) =  99.999%  kept
          HB3   ASP-  44 - HG    LEU   63   7.76 +/- 0.45   0.133% *  0.3027% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   63  11.24 +/- 0.62   0.017% *  0.2770% (0.90   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   63  12.19 +/- 0.73   0.009% *  0.1998% (0.65   0.02   0.02) =   0.000%
          HG    LEU   98 - HG    LEU   63  13.37 +/- 1.06   0.006% *  0.2473% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   63  14.85 +/- 0.73   0.003% *  0.2580% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   63  15.21 +/- 0.81   0.003% *  0.1749% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG    LEU   63  12.48 +/- 0.57   0.008% *  0.0477% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG    LEU   63  20.15 +/- 0.99   0.000% *  0.2770% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   63  20.58 +/- 0.63   0.000% *  0.3027% (0.98   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   63  19.33 +/- 0.35   0.001% *  0.2122% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   63  20.94 +/- 1.49   0.000% *  0.1385% (0.45   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   63  22.83 +/- 0.50   0.000% *  0.0541% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 243.6:
    * O T HB3   LEU   63 - HG    LEU   63   3.00 +/- 0.11  97.192% * 99.1466% (1.00   6.00 243.64) =  99.996%  kept
          QD1   LEU  123 - HG    LEU   63   5.85 +/- 0.64   2.137% *  0.1127% (0.34   0.02   0.02) =   0.003%
          QG1   VAL   70 - HG    LEU   63   7.83 +/- 0.79   0.427% *  0.1871% (0.57   0.02   0.02) =   0.001%
          QG1   VAL   18 - HG    LEU   63   8.54 +/- 0.58   0.210% *  0.2270% (0.69   0.02   0.02) =   0.000%
          QG1   VAL  108 - HG    LEU   63  13.58 +/- 0.46   0.012% *  0.2138% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU   63  12.74 +/- 1.14   0.021% *  0.1127% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 5.67, residual support = 243.6:
    * O T QD1   LEU   63 - HG    LEU   63   2.10 +/- 0.01  50.077% * 63.2124% (1.00   5.65 243.64) =  63.949%  kept
      O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.02  49.523% * 36.0323% (0.57   5.69 243.64) =  36.049%  kept
          QD2   LEU  115 - HG    LEU   63   5.08 +/- 1.19   0.394% *  0.1868% (0.84   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HG    LEU   63  10.13 +/- 0.69   0.005% *  0.1266% (0.57   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  12.37 +/- 0.79   0.001% *  0.2237% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  17.27 +/- 0.56   0.000% *  0.1791% (0.80   0.02   0.02) =   0.000%
        T QG1   VAL   83 - HG    LEU   63  18.13 +/- 0.69   0.000% *  0.0392% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.47 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 = 0.843, support = 5.68, residual support = 243.6:
    * O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.02  49.524% * 63.6543% (1.00   5.69 243.64) =  63.751%  kept
      O T QD1   LEU   63 - HG    LEU   63   2.10 +/- 0.01  50.077% * 35.7938% (0.57   5.65 243.64) =  36.249%  kept
          QD2   LEU  115 - HG    LEU   63   5.08 +/- 1.19   0.394% *  0.0558% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   41 - HG    LEU   63  11.05 +/- 0.75   0.003% *  0.1357% (0.61   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  12.37 +/- 0.79   0.001% *  0.1266% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   98 - HG    LEU   63  12.52 +/- 0.81   0.001% *  0.0920% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HG    LEU   63  19.13 +/- 1.31   0.000% *  0.0920% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  17.27 +/- 0.56   0.000% *  0.0498% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 663 (3.50, 0.58, 26.34 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.67, residual support = 243.6:
    *   T HA    LEU   63 - QD1   LEU   63   3.85 +/- 0.09  98.063% * 98.6769% (1.00   5.67 243.64) =  99.998%  kept
          HB2   HIS   22 - QD1   LEU   73   9.93 +/- 0.38   0.344% *  0.2659% (0.76   0.02   0.02) =   0.001%
          HA2   GLY  101 - QD1   LEU  104   8.38 +/- 0.32   0.954% *  0.0320% (0.09   0.02   0.02) =   0.000%
        T HA    LEU   63 - QD1   LEU   73  12.57 +/- 0.38   0.082% *  0.3479% (1.00   0.02   0.02) =   0.000%
        T HA    LEU   63 - QD1   LEU  104  10.06 +/- 0.38   0.318% *  0.0852% (0.24   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   73  11.03 +/- 0.88   0.196% *  0.1306% (0.38   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   63  15.18 +/- 0.36   0.027% *  0.1306% (0.38   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU   63  17.14 +/- 0.41   0.013% *  0.2659% (0.76   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU  104  21.47 +/- 0.46   0.003% *  0.0651% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.02 A, kept.
 
    Peak 664 (1.34, 0.58, 26.34 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.23, residual support = 243.6:
    * O T HB2   LEU   63 - QD1   LEU   63   2.30 +/- 0.12  91.237% * 94.1541% (1.00   6.23 243.64) =  99.990%  kept
          HB3   ASP-  44 - QD1   LEU   63   5.01 +/- 0.35   0.925% *  0.2960% (0.98   0.02   0.02) =   0.003%
          HG2   LYS+  99 - QD1   LEU  104   3.64 +/- 0.22   6.291% *  0.0419% (0.14   0.02  19.31) =   0.003%
          HB2   LEU   31 - QD1   LEU   73   5.17 +/- 0.36   0.821% *  0.2709% (0.90   0.02   3.24) =   0.003%
          HG    LEU   98 - QD1   LEU   73   7.04 +/- 0.86   0.142% *  0.2418% (0.80   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU   73   8.43 +/- 0.31   0.041% *  0.2960% (0.98   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.47 +/- 0.28   0.201% *  0.0592% (0.20   0.02   7.82) =   0.000%
          HB3   ASP-  44 - QD1   LEU   73   8.47 +/- 0.38   0.039% *  0.2960% (0.98   0.02   7.16) =   0.000%
          HG    LEU   98 - QD1   LEU   63   9.44 +/- 0.86   0.023% *  0.2418% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   8.99 +/- 0.45   0.028% *  0.1954% (0.65   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63   9.62 +/- 0.45   0.020% *  0.2709% (0.90   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104   8.74 +/- 0.96   0.043% *  0.0663% (0.22   0.02   0.02) =   0.000%
        T HB2   LEU   63 - QD1   LEU   73  10.93 +/- 0.52   0.009% *  0.3020% (1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73  10.59 +/- 0.20   0.010% *  0.2075% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   8.50 +/- 0.46   0.039% *  0.0466% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   63  11.25 +/- 0.39   0.007% *  0.2523% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   73  11.01 +/- 0.48   0.008% *  0.1710% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   63  11.70 +/- 0.38   0.006% *  0.1710% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   73  11.33 +/- 0.55   0.007% *  0.1354% (0.45   0.02   0.02) =   0.000%
        T HB2   LEU   63 - QD1   LEU  104  10.27 +/- 0.38   0.013% *  0.0739% (0.24   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   8.16 +/- 0.17   0.048% *  0.0114% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU  104   9.89 +/- 0.60   0.016% *  0.0331% (0.11   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  13.60 +/- 0.77   0.002% *  0.1954% (0.65   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU  104  11.86 +/- 0.32   0.005% *  0.0725% (0.24   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  11.10 +/- 0.91   0.008% *  0.0466% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU   63  15.39 +/- 0.61   0.001% *  0.2709% (0.90   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU   63  15.76 +/- 0.51   0.001% *  0.2960% (0.98   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  14.85 +/- 0.25   0.001% *  0.2075% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU  104  13.50 +/- 0.69   0.002% *  0.0663% (0.22   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  17.19 +/- 0.76   0.001% *  0.2709% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   63  16.49 +/- 0.94   0.001% *  0.1354% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   73  18.44 +/- 0.40   0.000% *  0.2523% (0.84   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   73  14.80 +/- 0.39   0.001% *  0.0529% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU  104  16.54 +/- 0.36   0.001% *  0.0618% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  16.32 +/- 0.46   0.001% *  0.0478% (0.16   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   63  17.65 +/- 0.37   0.000% *  0.0529% (0.18   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU  104  19.06 +/- 0.47   0.000% *  0.0725% (0.24   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  18.08 +/- 0.29   0.000% *  0.0508% (0.17   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU  104  20.45 +/- 0.53   0.000% *  0.0129% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 665 (0.88, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.93, residual support = 243.6:
    * O T HB3   LEU   63 - QD1   LEU   63   2.40 +/- 0.13  87.697% * 97.6815% (1.00   5.93 243.64) =  99.983%  kept
          QD1   LEU   71 - QD1   LEU   73   4.02 +/- 0.80   9.199% *  0.1123% (0.34   0.02   0.02) =   0.012%
          QG1   VAL   18 - QD1   LEU   73   5.39 +/- 0.45   0.795% *  0.2262% (0.69   0.02   0.02) =   0.002%
          QD1   LEU  123 - QD1   LEU   63   5.65 +/- 0.42   0.565% *  0.1123% (0.34   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU   63   6.56 +/- 0.52   0.257% *  0.2262% (0.69   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU   63   6.44 +/- 0.38   0.255% *  0.1864% (0.57   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU  104   5.14 +/- 0.39   0.983% *  0.0456% (0.14   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU   73   8.66 +/- 0.17   0.042% *  0.1864% (0.57   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  10.77 +/- 0.74   0.012% *  0.3293% (1.00   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   63  10.08 +/- 0.22   0.017% *  0.2130% (0.65   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104   8.99 +/- 0.38   0.034% *  0.0806% (0.24   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104   7.77 +/- 0.61   0.084% *  0.0275% (0.08   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63  10.03 +/- 0.84   0.019% *  0.1123% (0.34   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   9.47 +/- 0.45   0.025% *  0.0275% (0.08   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  11.21 +/- 0.74   0.009% *  0.0554% (0.17   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   73  14.24 +/- 0.50   0.002% *  0.2130% (0.65   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  13.63 +/- 0.49   0.003% *  0.1123% (0.34   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU  104  13.38 +/- 0.13   0.003% *  0.0521% (0.16   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 666 (1.06, 0.58, 26.34 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.65, residual support = 243.6:
    * O T HG    LEU   63 - QD1   LEU   63   2.10 +/- 0.01  97.882% * 98.1003% (1.00   5.65 243.64) =  99.999%  kept
        T QG1   VAL  107 - QD1   LEU   63   4.06 +/- 0.26   2.012% *  0.0536% (0.15   0.02   0.02) =   0.001%
          QG2   VAL   24 - QD1   LEU   73   7.49 +/- 0.39   0.051% *  0.3350% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63   9.67 +/- 0.68   0.011% *  0.2653% (0.76   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU   73  12.37 +/- 0.79   0.003% *  0.3471% (1.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  10.13 +/- 0.69   0.009% *  0.0850% (0.24   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU  104   8.32 +/- 0.22   0.026% *  0.0131% (0.04   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU   73  11.01 +/- 0.40   0.005% *  0.0536% (0.15   0.02   0.02) =   0.000%
          QG2   VAL   24 - QD1   LEU   63  15.96 +/- 0.74   0.001% *  0.3350% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  18.68 +/- 0.69   0.000% *  0.2653% (0.76   0.02   0.02) =   0.000%
          QG2   VAL   24 - QD1   LEU  104  16.25 +/- 0.58   0.000% *  0.0820% (0.24   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  18.07 +/- 0.50   0.000% *  0.0649% (0.19   0.02   0.02) =   0.000%
    Distance limit 2.41 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 = 5.71, residual support = 243.6:
    *   T HA    LEU   63 - QD2   LEU   63   2.21 +/- 0.27  99.998% * 99.6026% (1.00   5.71 243.64) = 100.000%  kept
          HA2   GLY  101 - QD2   LEU   63  15.57 +/- 0.72   0.001% *  0.1309% (0.38   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD2   LEU   63  19.07 +/- 0.34   0.000% *  0.2665% (0.76   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 670 (1.34, 0.57, 23.00 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 6.26, residual support = 243.6:
    * O T HB2   LEU   63 - QD2   LEU   63   3.16 +/- 0.18  98.666% * 97.4859% (1.00   6.26 243.64) =  99.996%  kept
          HB3   ASP-  44 - QD2   LEU   63   7.44 +/- 0.30   0.599% *  0.3054% (0.98   0.02   0.02) =   0.002%
          QB    ALA  124 - QD2   LEU   63   8.14 +/- 0.35   0.366% *  0.2795% (0.90   0.02   0.02) =   0.001%
          HG    LEU   98 - QD2   LEU   63  10.35 +/- 0.86   0.096% *  0.2495% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   63  11.22 +/- 0.82   0.057% *  0.1764% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   63  11.35 +/- 0.51   0.047% *  0.2016% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   63   9.80 +/- 0.62   0.126% *  0.0481% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   63  12.84 +/- 0.50   0.023% *  0.2603% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD2   LEU   63  16.53 +/- 0.89   0.005% *  0.2795% (0.90   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD2   LEU   63  17.90 +/- 0.53   0.003% *  0.3054% (0.98   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   63  16.84 +/- 0.30   0.004% *  0.2141% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   63  16.32 +/- 1.22   0.006% *  0.1397% (0.45   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   63  19.65 +/- 0.36   0.002% *  0.0546% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 671 (0.88, 0.57, 23.00 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 243.6:
    * O T HB3   LEU   63 - QD2   LEU   63   2.35 +/- 0.21  91.584% * 99.1401% (1.00   5.95 243.64) =  99.989%  kept
          QD1   LEU  123 - QD2   LEU   63   3.77 +/- 0.42   7.548% *  0.1136% (0.34   0.02   0.02) =   0.009%
          QG1   VAL   70 - QD2   LEU   63   5.41 +/- 0.64   0.765% *  0.1885% (0.57   0.02   0.02) =   0.002%
          QG1   VAL   18 - QD2   LEU   63   7.88 +/- 0.45   0.081% *  0.2287% (0.69   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU   63  11.59 +/- 0.31   0.008% *  0.2154% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU   63  10.37 +/- 0.81   0.014% *  0.1136% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 672 (1.06, 0.57, 23.00 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 243.6:
    * O T HG    LEU   63 - QD2   LEU   63   2.10 +/- 0.02  99.581% * 99.3424% (1.00   5.69 243.64) = 100.000%  kept
        T QG1   VAL  107 - QD2   LEU   63   5.30 +/- 0.29   0.414% *  0.0539% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU   63  11.00 +/- 0.80   0.006% *  0.2668% (0.76   0.02   0.02) =   0.000%
          QG2   VAL   24 - QD2   LEU   63  17.42 +/- 0.79   0.000% *  0.3369% (0.97   0.02   0.02) =   0.000%
    Distance limit 2.65 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 +/- 0.02 100.000% * 99.8252% (1.00   2.00  20.76) = 100.000%  kept
          QB    ALA   47 - HA    ALA   64  16.74 +/- 0.38   0.000% *  0.1748% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 677 (2.84, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.961, support = 2.04, residual support = 22.0:
    * O T HA    ALA   64 - QB    ALA   64   2.13 +/- 0.02  87.775% * 67.3421% (1.00   2.00  20.76) =  93.711%  kept
        T HB2   PHE   72 - QB    ALA   64   3.07 +/- 0.32  12.224% * 32.4501% (0.38   2.57  40.29) =   6.289%  kept
          HB3   ASN   35 - QB    ALA   64  16.23 +/- 0.45   0.000% *  0.2078% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 6.53, residual support = 160.4:
    * O T QB    LYS+  65 - HA    LYS+  65   2.46 +/- 0.03  98.854% * 98.4187% (0.92   6.53 160.36) =  99.998%  kept
          QB    LYS+  66 - HA    LYS+  65   5.36 +/- 0.06   0.913% *  0.1707% (0.52   0.02  27.52) =   0.002%
          HB3   GLN   17 - HA    LYS+  65   7.28 +/- 0.76   0.188% *  0.1829% (0.56   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+  65  12.46 +/- 0.61   0.006% *  0.3009% (0.92   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 121   9.86 +/- 0.43   0.024% *  0.0193% (0.06   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  65  15.34 +/- 0.83   0.002% *  0.1132% (0.35   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+ 121  13.19 +/- 0.43   0.004% *  0.0334% (0.10   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  65  20.44 +/- 0.62   0.000% *  0.2956% (0.90   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HA    LYS+ 121  14.48 +/- 0.35   0.002% *  0.0340% (0.10   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  65  20.41 +/- 0.92   0.000% *  0.2519% (0.77   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  65  20.69 +/- 1.06   0.000% *  0.0752% (0.23   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 121  18.18 +/- 0.43   0.001% *  0.0340% (0.10   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+ 121  14.58 +/- 0.74   0.002% *  0.0085% (0.03   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+ 121  16.65 +/- 0.83   0.001% *  0.0128% (0.04   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 121  19.35 +/- 0.34   0.000% *  0.0284% (0.09   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 121  22.21 +/- 0.61   0.000% *  0.0206% (0.06   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 0.81, support = 5.59, residual support = 180.9:
    * O T HG2   LYS+  65 - HA    LYS+  65   3.10 +/- 0.55  33.536% * 82.1586% (0.92   5.27 160.36) =  86.669%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.48 +/- 0.73  20.757% * 12.6215% (0.10   7.24 314.74) =   8.241%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.86 +/- 0.07  44.428% *  3.6357% (0.03   8.30 314.74) =   5.081%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.44 +/- 0.73   1.216% *  0.2262% (0.67   0.02  27.52) =   0.009%
          HB2   LYS+  74 - HA    LYS+  65  12.31 +/- 0.58   0.008% *  0.2602% (0.77   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.77 +/- 0.55   0.002% *  0.3088% (0.91   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HA    LYS+ 121  11.36 +/- 0.76   0.013% *  0.0255% (0.08   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.49 +/- 0.81   0.004% *  0.0694% (0.21   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  18.17 +/- 1.01   0.001% *  0.3088% (0.91   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  13.39 +/- 0.88   0.004% *  0.0481% (0.14   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  15.56 +/- 0.47   0.002% *  0.0777% (0.23   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  10.80 +/- 0.47   0.015% *  0.0088% (0.03   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  17.26 +/- 0.58   0.001% *  0.0777% (0.23   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  12.09 +/- 0.58   0.008% *  0.0078% (0.02   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.85 +/- 0.32   0.001% *  0.0352% (0.10   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  13.85 +/- 0.31   0.004% *  0.0062% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.77 +/- 0.31   0.000% *  0.0546% (0.16   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  20.59 +/- 0.42   0.000% *  0.0294% (0.09   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  23.04 +/- 0.25   0.000% *  0.0348% (0.10   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.39 +/- 0.46   0.000% *  0.0054% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.917, support = 5.24, residual support = 159.4:
    * O T HG3   LYS+  65 - HA    LYS+  65   2.49 +/- 0.54  81.789% * 94.0771% (0.92   5.27 160.36) =  99.378%  kept
        T HD3   LYS+ 121 - HA    LYS+ 121   3.75 +/- 0.62  18.135% *  2.6533% (0.02   6.66 314.74) =   0.621%
          HB    VAL   42 - HA    LYS+  65  10.42 +/- 0.62   0.024% *  0.3567% (0.92   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  13.38 +/- 1.52   0.006% *  0.2590% (0.67   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  14.40 +/- 0.55   0.004% *  0.3535% (0.91   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  13.47 +/- 0.57   0.005% *  0.0794% (0.21   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  17.65 +/- 1.47   0.001% *  0.3535% (0.91   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+ 121  12.00 +/- 0.39   0.009% *  0.0349% (0.09   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  12.93 +/- 0.58   0.006% *  0.0403% (0.10   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.77 +/- 0.47   0.001% *  0.1599% (0.41   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  65  19.40 +/- 0.75   0.001% *  0.3094% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  65  19.83 +/- 0.58   0.000% *  0.3374% (0.87   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  13.37 +/- 0.41   0.005% *  0.0180% (0.05   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  65  18.35 +/- 0.62   0.001% *  0.1101% (0.28   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+ 121  16.49 +/- 1.34   0.002% *  0.0395% (0.10   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  65  17.51 +/- 0.99   0.001% *  0.0706% (0.18   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  17.69 +/- 0.69   0.001% *  0.0706% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 121  16.42 +/- 0.29   0.001% *  0.0381% (0.10   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+  65  24.48 +/- 0.86   0.000% *  0.3496% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  18.01 +/- 0.47   0.001% *  0.0403% (0.10   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  65  22.13 +/- 0.34   0.000% *  0.0992% (0.26   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 121  14.69 +/- 0.52   0.003% *  0.0080% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.76 +/- 0.26   0.000% *  0.0399% (0.10   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 121  18.01 +/- 0.19   0.001% *  0.0124% (0.03   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  23.90 +/- 1.42   0.000% *  0.0399% (0.10   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  25.46 +/- 1.64   0.000% *  0.0292% (0.08   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  21.97 +/- 0.47   0.000% *  0.0090% (0.02   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 121  24.27 +/- 0.26   0.000% *  0.0112% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 0.693, support = 5.73, residual support = 203.7:
    *   T QD    LYS+  65 - HA    LYS+  65   3.24 +/- 0.28  32.822% * 81.8846% (0.92   4.75 160.36) =  71.905%  kept
      O T HB2   LYS+ 121 - HA    LYS+ 121   2.85 +/- 0.06  65.523% * 16.0263% (0.10   8.25 314.74) =  28.095%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.33 +/- 0.25   1.604% *  0.0133% (0.04   0.02   2.34) =   0.001%
          QB    ALA   57 - HA    LYS+  65  11.09 +/- 0.31   0.019% *  0.0959% (0.26   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  12.97 +/- 1.00   0.008% *  0.1953% (0.52   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HA    LYS+  65  15.68 +/- 0.50   0.002% *  0.3442% (0.92   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  14.24 +/- 0.48   0.004% *  0.1177% (0.31   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  19.81 +/- 2.22   0.001% *  0.3184% (0.85   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 121  14.93 +/- 1.34   0.004% *  0.0220% (0.06   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  20.40 +/- 0.72   0.001% *  0.1295% (0.35   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 121  17.15 +/- 0.46   0.001% *  0.0389% (0.10   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  22.51 +/- 0.82   0.000% *  0.1953% (0.52   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  24.69 +/- 0.53   0.000% *  0.3419% (0.91   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  18.51 +/- 0.85   0.001% *  0.0359% (0.10   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  15.83 +/- 0.68   0.002% *  0.0097% (0.03   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.72 +/- 0.12   0.002% *  0.0108% (0.03   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 121  15.40 +/- 0.80   0.003% *  0.0060% (0.02   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  24.19 +/- 0.46   0.000% *  0.0860% (0.23   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  19.65 +/- 0.58   0.001% *  0.0220% (0.06   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  65  23.04 +/- 0.60   0.000% *  0.0532% (0.14   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  20.64 +/- 0.24   0.000% *  0.0146% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  26.72 +/- 0.77   0.000% *  0.0386% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 160.4:
    *   T QE    LYS+  65 - HA    LYS+  65   3.87 +/- 0.74  99.926% * 98.2190% (0.92   4.75 160.36) = 100.000%  kept
        T QE    LYS+  33 - HA    LYS+  65  16.20 +/- 2.31   0.033% *  0.3710% (0.83   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    LYS+  65  21.24 +/- 0.66   0.005% *  0.2509% (0.56   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LYS+  65  23.87 +/- 0.58   0.003% *  0.3993% (0.89   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+ 121  17.04 +/- 0.67   0.020% *  0.0467% (0.10   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  65  23.48 +/- 0.65   0.003% *  0.1553% (0.35   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  65  28.99 +/- 0.49   0.001% *  0.3819% (0.85   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LYS+ 121  22.48 +/- 1.62   0.004% *  0.0419% (0.09   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 121  22.76 +/- 0.71   0.004% *  0.0283% (0.06   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LYS+ 121  28.62 +/- 0.62   0.001% *  0.0451% (0.10   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+ 121  28.83 +/- 0.67   0.001% *  0.0431% (0.10   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+ 121  29.26 +/- 0.34   0.001% *  0.0175% (0.04   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 686 (3.96, 1.80, 33.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 6.53, residual support = 160.4:
    * O T HA    LYS+  65 - QB    LYS+  65   2.46 +/- 0.03  99.597% * 97.9505% (0.92   6.53 160.36) =  99.999%  kept
          HA2   GLY   16 - QB    LYS+  65   6.57 +/- 0.86   0.387% *  0.3138% (0.97   0.02   0.02) =   0.001%
          HA    ALA  120 - QB    LYS+  65  11.63 +/- 0.47   0.009% *  0.3076% (0.95   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QB    LYS+  65  14.48 +/- 0.35   0.002% *  0.1841% (0.57   0.02   0.02) =   0.000%
          QB    SER  117 - QB    LYS+  65  14.41 +/- 0.44   0.002% *  0.0811% (0.25   0.02   0.02) =   0.000%
          QB    SER   48 - QB    LYS+  65  17.76 +/- 1.13   0.001% *  0.2485% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - QB    LYS+  65  17.59 +/- 0.23   0.001% *  0.2103% (0.65   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    LYS+  65  18.64 +/- 0.46   0.001% *  0.1583% (0.49   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    LYS+  65  19.50 +/- 0.75   0.000% *  0.1109% (0.34   0.02   0.02) =   0.000%
          QB    SER   85 - QB    LYS+  65  25.25 +/- 0.31   0.000% *  0.3138% (0.97   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    LYS+  65  21.39 +/- 0.43   0.000% *  0.0643% (0.20   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  65  27.62 +/- 0.30   0.000% *  0.0569% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 0.978, support = 5.67, residual support = 149.8:
    * O T HG2   LYS+  65 - QB    LYS+  65   2.29 +/- 0.15  88.819% * 58.8771% (1.00   5.70 160.36) =  92.074%  kept
        T QD    LYS+  66 - QB    LYS+  65   3.89 +/- 0.82  11.163% * 40.3231% (0.73   5.37  27.52) =   7.926%  kept
          HB2   LYS+  74 - QB    LYS+  65  11.58 +/- 0.44   0.006% *  0.1727% (0.84   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  65  15.38 +/- 0.47   0.001% *  0.2049% (0.99   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QB    LYS+  65  15.75 +/- 0.82   0.001% *  0.2049% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  65  11.94 +/- 0.81   0.005% *  0.0319% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   40 - QB    LYS+  65  13.33 +/- 0.76   0.002% *  0.0460% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  65  13.50 +/- 0.25   0.002% *  0.0516% (0.25   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  65  16.27 +/- 0.35   0.001% *  0.0516% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  65  17.40 +/- 0.38   0.000% *  0.0362% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.65 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 = 5.29, residual support = 160.4:
    * O T QD    LYS+  65 - QB    LYS+  65   2.19 +/- 0.19  99.961% * 97.9837% (1.00   5.29 160.36) = 100.000%  kept
          QB    ALA   57 - QB    LYS+  65   8.92 +/- 0.30   0.025% *  0.1030% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QB    LYS+  65  11.79 +/- 0.86   0.005% *  0.2098% (0.57   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+  65  13.47 +/- 0.34   0.002% *  0.3697% (1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+  65  11.89 +/- 0.57   0.004% *  0.1264% (0.34   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QB    LYS+  65  19.24 +/- 1.90   0.001% *  0.3420% (0.92   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+  65  17.31 +/- 0.60   0.000% *  0.1390% (0.38   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+  65  22.76 +/- 0.38   0.000% *  0.3672% (0.99   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QB    LYS+  65  20.90 +/- 0.71   0.000% *  0.2098% (0.57   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  65  20.33 +/- 0.47   0.000% *  0.0924% (0.25   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+  65  19.21 +/- 0.60   0.000% *  0.0572% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 5.29, residual support = 160.4:
    *   T QE    LYS+  65 - QB    LYS+  65   2.63 +/- 0.64  99.994% * 98.5957% (1.00   5.29 160.36) = 100.000%  kept
        T QE    LYS+  33 - QB    LYS+  65  16.37 +/- 1.97   0.004% *  0.3343% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+  65  20.75 +/- 0.46   0.001% *  0.2261% (0.61   0.02   0.02) =   0.000%
          HB2   ASN   28 - QB    LYS+  65  22.91 +/- 0.46   0.000% *  0.3598% (0.97   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  65  21.06 +/- 0.58   0.001% *  0.1399% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  65  26.50 +/- 0.29   0.000% *  0.3441% (0.92   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 700 (3.96, 1.50, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 5.27, residual support = 160.3:
    * O T HA    LYS+  65 - HG2   LYS+  65   3.10 +/- 0.55  98.336% * 97.4762% (0.92   5.27 160.36) =  99.993%  kept
          HA2   GLY   16 - HG2   LYS+  65   6.72 +/- 1.24   1.632% *  0.3864% (0.97   0.02   0.02) =   0.007%
        T HA    ALA  120 - HG2   LYS+  65  14.93 +/- 0.47   0.012% *  0.3787% (0.95   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+  65  18.26 +/- 1.26   0.004% *  0.3060% (0.76   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG2   LYS+  65  17.85 +/- 0.32   0.004% *  0.2267% (0.57   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+  65  19.26 +/- 0.46   0.002% *  0.2590% (0.65   0.02   0.02) =   0.000%
          QB    SER  117 - HG2   LYS+  65  17.24 +/- 0.54   0.005% *  0.0998% (0.25   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+  65  19.62 +/- 0.80   0.002% *  0.1949% (0.49   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   LYS+  65  20.84 +/- 1.01   0.002% *  0.1366% (0.34   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+  65  26.99 +/- 0.46   0.000% *  0.3864% (0.97   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   LYS+  65  23.38 +/- 0.91   0.001% *  0.0792% (0.20   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   LYS+  65  29.68 +/- 0.47   0.000% *  0.0701% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 5.7, residual support = 160.4:
    * O T QB    LYS+  65 - HG2   LYS+  65   2.29 +/- 0.15  99.573% * 98.4067% (1.00   5.70 160.36) =  99.999%  kept
          HB3   GLN   17 - HG2   LYS+  65   7.12 +/- 1.13   0.237% *  0.2096% (0.61   0.02   0.02) =   0.001%
        T QB    LYS+  66 - HG2   LYS+  65   6.59 +/- 0.16   0.186% *  0.1956% (0.57   0.02  27.52) =   0.000%
          HB2   LEU   71 - HG2   LYS+  65  14.15 +/- 0.80   0.002% *  0.3448% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+  65  18.80 +/- 1.13   0.000% *  0.2886% (0.84   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   LYS+  65  16.72 +/- 0.78   0.001% *  0.1297% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   LYS+  65  21.93 +/- 0.55   0.000% *  0.3387% (0.98   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+  65  21.67 +/- 1.04   0.000% *  0.0862% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 160.4:
    * O T QD    LYS+  65 - HG2   LYS+  65   2.34 +/- 0.10  99.954% * 97.6055% (1.00   4.44 160.36) = 100.000%  kept
          QB    ALA   57 - HG2   LYS+  65   9.00 +/- 0.54   0.035% *  0.1223% (0.28   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  65  11.81 +/- 1.00   0.008% *  0.2491% (0.57   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HG2   LYS+  65  16.47 +/- 0.43   0.001% *  0.4390% (1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  65  15.35 +/- 0.54   0.001% *  0.1501% (0.34   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  65  21.92 +/- 2.16   0.000% *  0.4061% (0.92   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  65  18.63 +/- 0.94   0.000% *  0.1651% (0.38   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  65  24.24 +/- 0.67   0.000% *  0.4361% (0.99   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  65  23.90 +/- 0.89   0.000% *  0.2491% (0.57   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  65  23.19 +/- 0.66   0.000% *  0.1097% (0.25   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  65  21.96 +/- 0.73   0.000% *  0.0679% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 706 (2.93, 1.50, 25.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 160.4:
    * O T QE    LYS+  65 - HG2   LYS+  65   2.63 +/- 0.24  99.998% * 98.3304% (1.00   4.44 160.36) = 100.000%  kept
        T QE    LYS+  33 - HG2   LYS+  65  17.67 +/- 2.18   0.002% *  0.3975% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+  65  24.44 +/- 0.85   0.000% *  0.4278% (0.97   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  65  22.86 +/- 0.84   0.000% *  0.2688% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  65  21.83 +/- 0.71   0.000% *  0.1664% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  65  28.59 +/- 0.53   0.000% *  0.4092% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 160.3:
    *   T HA    LYS+  65 - QD    LYS+  65   3.24 +/- 0.28  92.479% * 94.6666% (0.92   4.75 160.36) =  99.971%  kept
          HA2   GLY   16 - QD    LYS+  65   5.78 +/- 1.13   5.906% *  0.4169% (0.97   0.02   0.02) =   0.028%
          QB    SER  117 - HD3   LYS+ 111   8.11 +/- 0.63   0.446% *  0.0267% (0.06   0.02   0.02) =   0.000%
          QB    SER  117 - HD2   LYS+ 111   7.61 +/- 0.84   0.721% *  0.0165% (0.04   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  65  14.24 +/- 0.61   0.015% *  0.4086% (0.95   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 111  11.63 +/- 0.61   0.050% *  0.0692% (0.16   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  38   9.52 +/- 0.35   0.156% *  0.0156% (0.04   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 111  11.75 +/- 0.87   0.052% *  0.0428% (0.10   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  65  17.61 +/- 1.25   0.004% *  0.3301% (0.76   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+  65  17.15 +/- 0.46   0.005% *  0.2446% (0.57   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+ 102  14.93 +/- 1.34   0.014% *  0.0618% (0.14   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  65  19.25 +/- 0.25   0.002% *  0.2794% (0.65   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  65  16.67 +/- 0.49   0.005% *  0.1077% (0.25   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  65  18.89 +/- 0.54   0.003% *  0.2103% (0.49   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+ 111  16.73 +/- 0.61   0.005% *  0.1012% (0.23   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  14.49 +/- 0.99   0.014% *  0.0365% (0.08   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+ 102  16.38 +/- 1.05   0.007% *  0.0706% (0.16   0.02   0.02) =   0.000%
          HA    ALA  120 - HD2   LYS+ 111  15.85 +/- 0.80   0.008% *  0.0626% (0.14   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+ 111  15.83 +/- 0.68   0.008% *  0.0605% (0.14   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+ 102  13.74 +/- 1.27   0.020% *  0.0216% (0.05   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD2   LYS+ 111  13.84 +/- 1.07   0.019% *  0.0226% (0.05   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD2   LYS+ 111  15.40 +/- 0.80   0.009% *  0.0375% (0.09   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+ 102  18.73 +/- 1.23   0.003% *  0.1033% (0.24   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  38  18.97 +/- 2.54   0.004% *  0.0762% (0.18   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  65  20.19 +/- 0.75   0.002% *  0.1473% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 111  17.40 +/- 0.88   0.004% *  0.0521% (0.12   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+ 102  16.28 +/- 1.28   0.008% *  0.0272% (0.06   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 111  16.53 +/- 0.94   0.006% *  0.0322% (0.07   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+  38  19.81 +/- 2.22   0.003% *  0.0728% (0.17   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  65  25.69 +/- 0.48   0.000% *  0.4169% (0.97   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 111  20.19 +/- 0.93   0.002% *  0.0817% (0.19   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+ 102  21.56 +/- 1.15   0.001% *  0.1054% (0.24   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+  38  18.51 +/- 0.85   0.003% *  0.0447% (0.10   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 111  19.71 +/- 1.07   0.002% *  0.0506% (0.12   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  38  20.82 +/- 1.36   0.001% *  0.0746% (0.17   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+ 102  22.51 +/- 0.82   0.001% *  0.1008% (0.23   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+ 102  23.42 +/- 1.28   0.001% *  0.1054% (0.24   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  65  22.19 +/- 0.77   0.001% *  0.0855% (0.20   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 111  24.32 +/- 0.62   0.001% *  0.1032% (0.24   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+ 111  24.19 +/- 0.46   0.001% *  0.0987% (0.23   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  38  21.66 +/- 0.78   0.001% *  0.0511% (0.12   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 111  23.04 +/- 0.60   0.001% *  0.0611% (0.14   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+ 102  24.63 +/- 0.90   0.001% *  0.0834% (0.19   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  38  24.45 +/- 0.50   0.001% *  0.0762% (0.18   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 111  24.63 +/- 0.87   0.001% *  0.0639% (0.15   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  38  21.07 +/- 0.85   0.001% *  0.0197% (0.05   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 111  28.17 +/- 0.71   0.000% *  0.1032% (0.24   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  38  26.19 +/- 1.64   0.000% *  0.0603% (0.14   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 111  27.12 +/- 0.84   0.000% *  0.0639% (0.15   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  65  28.40 +/- 0.40   0.000% *  0.0757% (0.18   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  23.05 +/- 0.79   0.001% *  0.0187% (0.04   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+ 102  23.76 +/- 1.28   0.001% *  0.0191% (0.04   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+ 102  27.39 +/- 1.37   0.000% *  0.0372% (0.09   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+ 102  29.17 +/- 0.93   0.000% *  0.0531% (0.12   0.02   0.02) =   0.000%
          HA    ALA   88 - HD2   LYS+ 111  23.52 +/- 1.07   0.001% *  0.0116% (0.03   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  38  32.22 +/- 1.62   0.000% *  0.0384% (0.09   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  38  31.42 +/- 1.43   0.000% *  0.0269% (0.06   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  38  28.43 +/- 0.78   0.000% *  0.0138% (0.03   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  30.70 +/- 0.85   0.000% *  0.0212% (0.05   0.02   0.02) =   0.000%
          HA    GLN   32 - HD2   LYS+ 111  30.69 +/- 0.94   0.000% *  0.0131% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 708 (1.80, 1.66, 29.54 ppm):
    40 chemical-shift based assignments, quality = 0.907, support = 5.22, residual support = 160.2:
    * O T QB    LYS+  65 - QD    LYS+  65   2.19 +/- 0.19  60.733% * 79.5790% (1.00   5.29 160.36) =  87.592%  kept
      O T QB    LYS+ 102 - QD    LYS+ 102   2.40 +/- 0.33  38.684% * 17.6966% (0.25   4.75 159.17) =  12.407%  kept
          HB3   GLN   17 - QD    LYS+  65   6.87 +/- 1.12   0.119% *  0.1825% (0.61   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  65   6.65 +/- 0.21   0.080% *  0.1704% (0.57   0.02  27.52) =   0.000%
          HB2   LEU   71 - QD    LYS+  38  10.96 +/- 1.51   0.081% *  0.0548% (0.18   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+ 102   6.31 +/- 0.93   0.227% *  0.0190% (0.06   0.02  22.42) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  38   8.29 +/- 1.37   0.037% *  0.0539% (0.18   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD3   LYS+ 111   9.81 +/- 0.51   0.009% *  0.0622% (0.21   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD2   LYS+ 111   9.37 +/- 0.56   0.011% *  0.0385% (0.13   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.93 +/- 0.68   0.001% *  0.3002% (1.00   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  38  10.30 +/- 0.47   0.007% *  0.0206% (0.07   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102  11.18 +/- 0.86   0.004% *  0.0285% (0.09   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  14.77 +/- 0.51   0.001% *  0.0759% (0.25   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  16.52 +/- 0.75   0.000% *  0.1129% (0.38   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  18.67 +/- 0.93   0.000% *  0.2513% (0.84   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  38  16.80 +/- 1.66   0.001% *  0.0311% (0.10   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+  38  19.24 +/- 1.90   0.001% *  0.0550% (0.18   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  20.94 +/- 0.46   0.000% *  0.2949% (0.98   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  38  12.67 +/- 0.76   0.002% *  0.0137% (0.05   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  38  20.36 +/- 2.23   0.000% *  0.0333% (0.11   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  17.70 +/- 0.74   0.000% *  0.0431% (0.14   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   LYS+ 111  18.41 +/- 0.59   0.000% *  0.0422% (0.14   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD3   LYS+ 111  20.33 +/- 0.47   0.000% *  0.0745% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   LYS+ 111  20.43 +/- 0.90   0.000% *  0.0730% (0.24   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  20.90 +/- 0.71   0.000% *  0.0761% (0.25   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  17.45 +/- 0.69   0.000% *  0.0261% (0.09   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.21 +/- 0.60   0.000% *  0.0461% (0.15   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  21.18 +/- 0.85   0.000% *  0.0750% (0.25   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.78 +/- 1.07   0.000% *  0.0635% (0.21   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  20.77 +/- 0.92   0.000% *  0.0452% (0.15   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   LYS+ 111  18.66 +/- 0.84   0.000% *  0.0186% (0.06   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  23.88 +/- 0.95   0.000% *  0.0461% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   LYS+ 111  25.57 +/- 0.58   0.000% *  0.0743% (0.25   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  19.01 +/- 0.92   0.000% *  0.0115% (0.04   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   LYS+ 111  22.95 +/- 1.28   0.000% *  0.0280% (0.09   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  25.13 +/- 0.77   0.000% *  0.0460% (0.15   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  38  26.55 +/- 1.08   0.000% *  0.0459% (0.15   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  22.78 +/- 1.40   0.000% *  0.0173% (0.06   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   LYS+ 111  27.10 +/- 0.84   0.000% *  0.0452% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  26.09 +/- 1.02   0.000% *  0.0280% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 160.4:
    * O T HG2   LYS+  65 - QD    LYS+  65   2.34 +/- 0.10  86.063% * 95.9880% (1.00   4.44 160.36) =  99.995%  kept
        T QD    LYS+  66 - QD    LYS+  65   5.80 +/- 0.81   0.621% *  0.3142% (0.73   0.02  27.52) =   0.002%
      O   HB3   LYS+ 111 - HD2   LYS+ 111   3.49 +/- 0.17   8.336% *  0.0116% (0.03   0.02 313.66) =   0.001%
      O   HB3   LYS+ 111 - HD3   LYS+ 111   3.83 +/- 0.09   4.714% *  0.0188% (0.04   0.02 313.66) =   0.001%
          HG    LEU  104 - QD    LYS+ 102   7.39 +/- 0.66   0.113% *  0.0273% (0.06   0.02   0.21) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  65  11.92 +/- 0.50   0.005% *  0.3614% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   9.37 +/- 1.13   0.090% *  0.0176% (0.04   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  65  15.19 +/- 0.74   0.001% *  0.4288% (0.99   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+ 102  13.66 +/- 1.58   0.003% *  0.1084% (0.25   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  65  12.43 +/- 0.93   0.005% *  0.0668% (0.15   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  38  10.01 +/- 0.56   0.016% *  0.0197% (0.05   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD3   LYS+ 111  13.90 +/- 1.76   0.003% *  0.1062% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+ 102  11.04 +/- 1.12   0.010% *  0.0243% (0.06   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HD2   LYS+ 111  13.70 +/- 1.73   0.003% *  0.0657% (0.15   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  65  18.37 +/- 0.91   0.000% *  0.4288% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  65  15.21 +/- 0.84   0.001% *  0.0963% (0.22   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  15.57 +/- 0.94   0.001% *  0.0783% (0.18   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  65  16.16 +/- 0.36   0.001% *  0.1079% (0.25   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+ 102  13.79 +/- 1.43   0.003% *  0.0273% (0.06   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+ 102  17.82 +/- 0.84   0.000% *  0.1084% (0.25   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HD3   LYS+ 111  14.66 +/- 0.89   0.002% *  0.0267% (0.06   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  65  18.43 +/- 0.41   0.000% *  0.1079% (0.25   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+  38  18.63 +/- 1.73   0.001% *  0.0574% (0.13   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  18.59 +/- 1.69   0.000% *  0.0783% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HD2   LYS+ 111  14.25 +/- 0.97   0.002% *  0.0165% (0.04   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  20.17 +/- 1.65   0.000% *  0.0660% (0.15   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  21.92 +/- 2.16   0.000% *  0.0790% (0.18   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HD3   LYS+ 111  19.64 +/- 1.13   0.000% *  0.0778% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  65  19.50 +/- 0.39   0.000% *  0.0758% (0.18   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+ 102  19.80 +/- 0.69   0.000% *  0.0794% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD    LYS+ 102  20.41 +/- 0.84   0.000% *  0.0913% (0.21   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD2   LYS+ 111  18.58 +/- 1.26   0.000% *  0.0481% (0.11   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HD3   LYS+ 111  21.02 +/- 0.66   0.000% *  0.0895% (0.21   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD2   LYS+ 111  20.32 +/- 0.85   0.000% *  0.0554% (0.13   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  38  17.51 +/- 1.04   0.001% *  0.0197% (0.05   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD3   LYS+ 111  23.19 +/- 0.66   0.000% *  0.1071% (0.25   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD2   LYS+ 111  21.96 +/- 0.73   0.000% *  0.0663% (0.15   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+ 102  23.90 +/- 0.89   0.000% *  0.1094% (0.25   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 111  24.66 +/- 0.56   0.000% *  0.1062% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 102  19.34 +/- 1.12   0.000% *  0.0192% (0.04   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HD3   LYS+ 111  18.70 +/- 0.78   0.000% *  0.0165% (0.04   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 111  20.51 +/- 0.71   0.000% *  0.0267% (0.06   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   LYS+ 111  17.93 +/- 0.90   0.000% *  0.0102% (0.02   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+ 111  24.35 +/- 0.71   0.000% *  0.0657% (0.15   0.02   0.02) =   0.000%
          HG    LEU  104 - HD2   LYS+ 111  20.50 +/- 0.79   0.000% *  0.0165% (0.04   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+ 102  21.41 +/- 1.07   0.000% *  0.0169% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 111  22.75 +/- 0.66   0.000% *  0.0238% (0.06   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  38  22.31 +/- 1.56   0.000% *  0.0122% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+ 111  22.42 +/- 0.75   0.000% *  0.0148% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  38  25.35 +/- 0.95   0.000% *  0.0138% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 712 (1.66, 1.66, 29.54 ppm):
    5 diagonal assignments:
    *     QD    LYS+  65 - QD    LYS+  65  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.17)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.14)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.06)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 713 (2.93, 1.66, 29.54 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 160.4:
    * O T QE    LYS+  65 - QD    LYS+  65   2.10 +/- 0.03  99.949% * 96.2682% (1.00   4.00 160.36) = 100.000%  kept
          HB2   ASN   35 - QD    LYS+  38   7.90 +/- 0.41   0.037% *  0.0533% (0.11   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+  38  10.44 +/- 0.80   0.007% *  0.0789% (0.16   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 102  11.80 +/- 1.21   0.004% *  0.0738% (0.15   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+  65  16.60 +/- 2.16   0.001% *  0.4317% (0.90   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+ 102  15.94 +/- 0.94   0.001% *  0.1091% (0.23   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  38  16.45 +/- 0.39   0.000% *  0.0849% (0.18   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+ 102  18.24 +/- 1.29   0.000% *  0.1174% (0.24   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  65  23.28 +/- 0.75   0.000% *  0.4645% (0.97   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  65  21.78 +/- 0.80   0.000% *  0.2919% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+ 102  19.19 +/- 1.28   0.000% *  0.1123% (0.23   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  65  21.08 +/- 0.67   0.000% *  0.1807% (0.38   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  38  20.70 +/- 2.14   0.000% *  0.0879% (0.18   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  22.03 +/- 0.88   0.000% *  0.1192% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  65  27.45 +/- 0.51   0.000% *  0.4443% (0.92   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD2   LYS+ 111  20.87 +/- 0.94   0.000% *  0.0737% (0.15   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+ 102  22.79 +/- 0.84   0.000% *  0.1217% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  24.01 +/- 0.99   0.000% *  0.1100% (0.23   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  38  23.45 +/- 0.55   0.000% *  0.0812% (0.17   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD2   LYS+ 111  24.53 +/- 1.15   0.000% *  0.0681% (0.14   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  23.14 +/- 1.01   0.000% *  0.0447% (0.09   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD2   LYS+ 111  22.83 +/- 1.14   0.000% *  0.0277% (0.06   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  28.73 +/- 1.28   0.000% *  0.1069% (0.22   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+ 102  26.00 +/- 1.09   0.000% *  0.0457% (0.09   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  30.69 +/- 0.83   0.000% *  0.1150% (0.24   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD2   LYS+ 111  28.44 +/- 1.35   0.000% *  0.0661% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  29.31 +/- 0.91   0.000% *  0.0723% (0.15   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD2   LYS+ 111  30.69 +/- 1.01   0.000% *  0.0712% (0.15   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  38  27.96 +/- 1.23   0.000% *  0.0330% (0.07   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD2   LYS+ 111  29.33 +/- 1.02   0.000% *  0.0447% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.922, support = 4.74, residual support = 160.2:
    *   T HA    LYS+  65 - QE    LYS+  65   3.87 +/- 0.74  66.773% * 95.6283% (0.92   4.75 160.36) =  99.898%  kept
          HA2   GLY   16 - QE    LYS+  65   6.27 +/- 2.06  13.256% *  0.4211% (0.97   0.02   0.02) =   0.087%
        T HA    GLN   32 - QE    LYS+  33   6.07 +/- 1.71  19.712% *  0.0444% (0.10   0.02  13.90) =   0.014%
          HA2   GLY   16 - QE    LYS+  33  13.68 +/- 2.29   0.103% *  0.2165% (0.50   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  65  14.10 +/- 0.93   0.043% *  0.4128% (0.95   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QE    LYS+  33  16.20 +/- 2.31   0.024% *  0.2071% (0.47   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  65  17.52 +/- 1.29   0.011% *  0.3335% (0.76   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QE    LYS+  65  17.04 +/- 0.67   0.012% *  0.2470% (0.57   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  65  16.42 +/- 0.85   0.016% *  0.1088% (0.25   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  65  19.04 +/- 0.52   0.006% *  0.2823% (0.65   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  65  18.60 +/- 1.14   0.008% *  0.2124% (0.49   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  33  19.78 +/- 1.14   0.005% *  0.2165% (0.50   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  33  20.12 +/- 1.34   0.005% *  0.1714% (0.39   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  19.87 +/- 1.31   0.005% *  0.1488% (0.34   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  33  20.15 +/- 1.00   0.005% *  0.1451% (0.33   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  33  23.28 +/- 1.81   0.002% *  0.2122% (0.49   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  65  25.64 +/- 0.83   0.001% *  0.4211% (0.97   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QE    LYS+  33  22.48 +/- 1.62   0.003% *  0.1270% (0.29   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  22.39 +/- 1.45   0.002% *  0.0864% (0.20   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  33  23.28 +/- 1.35   0.002% *  0.0559% (0.13   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  33  27.27 +/- 1.26   0.001% *  0.1092% (0.25   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  27.39 +/- 1.36   0.001% *  0.0765% (0.18   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  24.34 +/- 1.07   0.001% *  0.0393% (0.09   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  28.26 +/- 0.81   0.001% *  0.0764% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.02 A, kept.
 
    Peak 722 (1.80, 2.93, 42.22 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.29, residual support = 160.3:
    *   T QB    LYS+  65 - QE    LYS+  65   2.63 +/- 0.64  93.791% * 97.2442% (1.00   5.29 160.36) =  99.985%  kept
          HB3   GLN   17 - QE    LYS+  65   7.24 +/- 1.94   4.854% *  0.2230% (0.61   0.02   0.02) =   0.012%
          HB2   LEU   71 - QE    LYS+  33   6.76 +/- 1.68   0.796% *  0.1886% (0.51   0.02   0.02) =   0.002%
          QB    LYS+  66 - QE    LYS+  65   6.74 +/- 0.66   0.413% *  0.2082% (0.57   0.02  27.52) =   0.001%
          HB    VAL   41 - QE    LYS+  33   9.04 +/- 1.65   0.103% *  0.0709% (0.19   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  65  14.18 +/- 1.28   0.011% *  0.3669% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  33  13.30 +/- 2.03   0.011% *  0.1146% (0.31   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  33  14.85 +/- 0.91   0.005% *  0.1853% (0.50   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  65  18.34 +/- 1.02   0.002% *  0.3071% (0.84   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QE    LYS+  33  16.37 +/- 1.97   0.003% *  0.1890% (0.51   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  65  16.69 +/- 0.94   0.003% *  0.1380% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  33  16.28 +/- 1.87   0.003% *  0.1070% (0.29   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  65  21.00 +/- 0.70   0.001% *  0.3604% (0.98   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  33  15.70 +/- 0.88   0.003% *  0.0471% (0.13   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  65  21.17 +/- 0.97   0.001% *  0.0917% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  33  24.07 +/- 1.32   0.000% *  0.1579% (0.43   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 724 (1.50, 2.93, 42.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 160.4:
    * O T HG2   LYS+  65 - QE    LYS+  65   2.63 +/- 0.24  98.328% * 96.7423% (1.00   4.44 160.36) =  99.995%  kept
          QD    LYS+  66 - QE    LYS+  65   5.98 +/- 1.06   1.275% *  0.3167% (0.73   0.02  27.52) =   0.004%
          QG2   THR   26 - QE    LYS+  33   7.51 +/- 1.05   0.328% *  0.2222% (0.51   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QE    LYS+  65  11.97 +/- 0.95   0.015% *  0.3642% (0.84   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  65  15.35 +/- 1.41   0.003% *  0.4322% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  33  13.90 +/- 1.34   0.006% *  0.1872% (0.43   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  65  12.36 +/- 1.01   0.012% *  0.0673% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  33  12.25 +/- 1.41   0.013% *  0.0499% (0.11   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  65  18.21 +/- 0.91   0.001% *  0.4322% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QE    LYS+  33  17.67 +/- 2.18   0.002% *  0.2242% (0.51   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  65  15.39 +/- 0.96   0.003% *  0.0971% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  65  16.06 +/- 0.59   0.002% *  0.1087% (0.25   0.02   0.02) =   0.000%
          QD    LYS+  66 - QE    LYS+  33  17.83 +/- 1.88   0.001% *  0.1628% (0.37   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  33  14.78 +/- 1.22   0.004% *  0.0559% (0.13   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  65  18.49 +/- 0.65   0.001% *  0.1087% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  33  22.53 +/- 1.70   0.000% *  0.2222% (0.51   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  33  16.77 +/- 1.32   0.002% *  0.0346% (0.08   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  65  19.16 +/- 0.82   0.001% *  0.0764% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  33  20.73 +/- 1.65   0.001% *  0.0559% (0.13   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  33  25.64 +/- 1.27   0.000% *  0.0393% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 726 (1.66, 2.93, 42.22 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 160.4:
    * O T QD    LYS+  65 - QE    LYS+  65   2.10 +/- 0.03  99.966% * 95.8064% (1.00   4.00 160.36) = 100.000%  kept
          QB    ALA   57 - QE    LYS+  65   9.07 +/- 0.78   0.019% *  0.1332% (0.28   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  33  10.44 +/- 0.80   0.007% *  0.2273% (0.47   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  12.40 +/- 0.97   0.003% *  0.2712% (0.57   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  65  15.97 +/- 0.61   0.001% *  0.4780% (1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  65  14.36 +/- 1.09   0.001% *  0.1634% (0.34   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  33  16.60 +/- 2.16   0.001% *  0.2463% (0.51   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  33  16.84 +/- 1.17   0.000% *  0.2441% (0.51   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  15.55 +/- 1.31   0.001% *  0.1394% (0.29   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  65  20.70 +/- 2.14   0.000% *  0.4422% (0.92   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  33  15.94 +/- 0.94   0.001% *  0.1394% (0.29   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  65  18.16 +/- 0.93   0.000% *  0.1798% (0.38   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  65  23.46 +/- 0.97   0.000% *  0.4748% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  33  21.30 +/- 1.60   0.000% *  0.2457% (0.51   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  17.94 +/- 1.25   0.000% *  0.0685% (0.14   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  65  22.79 +/- 0.84   0.000% *  0.2712% (0.57   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  22.03 +/- 0.88   0.000% *  0.1194% (0.25   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  65  20.87 +/- 0.94   0.000% *  0.0739% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  33  23.21 +/- 1.82   0.000% *  0.0840% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  33  23.95 +/- 1.33   0.000% *  0.0924% (0.19   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  28.73 +/- 1.28   0.000% *  0.0614% (0.13   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  33  28.44 +/- 1.35   0.000% *  0.0380% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 727 (2.93, 2.93, 42.22 ppm):
    2 diagonal assignments:
    *     QE    LYS+  65 - QE    LYS+  65  (1.00)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.46)  kept
 
    Peak 728 (4.07, 4.07, 57.65 ppm):
    1 diagonal assignment:
    *     HA    LYS+  66 - HA    LYS+  66  (1.00)  kept
 
    Peak 729 (1.82, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 0.988, support = 5.0, residual support = 110.3:
    * O T QB    LYS+  66 - HA    LYS+  66   2.46 +/- 0.04  95.354% * 61.0232% (1.00   4.98 112.80) =  97.122%  kept
          QB    LYS+  65 - HA    LYS+  66   4.09 +/- 0.08   4.568% * 37.7465% (0.57   5.44  27.52) =   2.878%  kept
          HG    LEU  123 - HA    LYS+  66   8.26 +/- 0.56   0.073% *  0.1387% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+  66  13.95 +/- 0.22   0.003% *  0.1289% (0.53   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  66  16.10 +/- 0.41   0.001% *  0.2317% (0.95   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  66  19.23 +/- 0.48   0.000% *  0.1682% (0.69   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  66  20.23 +/- 0.94   0.000% *  0.2046% (0.84   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  66  21.31 +/- 0.89   0.000% *  0.2197% (0.90   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  66  22.10 +/- 0.72   0.000% *  0.1387% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 112.8:
    * O T QG    LYS+  66 - HA    LYS+  66   2.47 +/- 0.24  98.542% * 96.9006% (1.00   4.31 112.80) =  99.996%  kept
          HB3   LEU   67 - HA    LYS+  66   6.28 +/- 0.28   0.430% *  0.4250% (0.95   0.02  10.46) =   0.002%
        T HG    LEU   67 - HA    LYS+  66   5.71 +/- 0.84   0.936% *  0.1686% (0.38   0.02  10.46) =   0.002%
          QB    ALA   61 - HA    LYS+  66   8.39 +/- 0.21   0.075% *  0.3753% (0.84   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  66  11.89 +/- 0.21   0.009% *  0.2187% (0.49   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+  66  15.60 +/- 0.21   0.002% *  0.4250% (0.95   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  66  14.53 +/- 0.70   0.003% *  0.2187% (0.49   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  66  15.49 +/- 0.70   0.002% *  0.2364% (0.53   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  66  16.90 +/- 0.38   0.001% *  0.2725% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    LYS+  66  22.73 +/- 1.04   0.000% *  0.3897% (0.87   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  66  25.87 +/- 1.09   0.000% *  0.2907% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  66  26.11 +/- 0.38   0.000% *  0.0787% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 732 (1.51, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 112.8:
    *   T QD    LYS+  66 - HA    LYS+  66   2.37 +/- 0.36  99.677% * 97.7894% (1.00   4.44 112.80) =  99.999%  kept
          HG2   LYS+  65 - HA    LYS+  66   6.69 +/- 0.19   0.309% *  0.3201% (0.73   0.02  27.52) =   0.001%
          HB3   LYS+ 121 - HA    LYS+  66  12.81 +/- 0.60   0.006% *  0.3028% (0.69   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  66  15.32 +/- 1.12   0.002% *  0.3530% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  66  15.84 +/- 0.45   0.002% *  0.3028% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  66  16.21 +/- 0.73   0.002% *  0.2319% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  66  15.46 +/- 0.51   0.002% *  0.1654% (0.38   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  66  18.59 +/- 0.37   0.001% *  0.2851% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  66  20.01 +/- 0.46   0.000% *  0.2496% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 733 (2.87, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 112.8:
    *   T QE    LYS+  66 - HA    LYS+  66   4.04 +/- 0.31  99.493% * 99.2814% (1.00   3.86 112.80) =  99.999%  kept
          HB2   ASN   69 - HA    LYS+  66   9.96 +/- 0.67   0.500% *  0.1586% (0.31   0.02   0.02) =   0.001%
          HB3   ASN   35 - HA    LYS+  66  23.18 +/- 0.50   0.003% *  0.4457% (0.87   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  66  22.98 +/- 0.52   0.003% *  0.1144% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 734 (4.07, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.98, residual support = 112.8:
    * O T HA    LYS+  66 - QB    LYS+  66   2.46 +/- 0.04  99.926% * 99.7948% (1.00   4.98 112.80) = 100.000%  kept
          HA1   GLY   16 - QB    LYS+  66   8.29 +/- 0.46   0.074% *  0.0542% (0.14   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  66  20.51 +/- 0.47   0.000% *  0.0892% (0.22   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    LYS+  66  26.05 +/- 0.48   0.000% *  0.0618% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.82, 1.82, 33.88 ppm):
    1 diagonal assignment:
    *     QB    LYS+  66 - QB    LYS+  66  (1.00)  kept
 
    Peak 737 (1.44, 1.82, 33.88 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 112.8:
    * O T QG    LYS+  66 - QB    LYS+  66   2.05 +/- 0.01  95.029% * 96.8969% (1.00   4.31 112.80) =  99.989%  kept
        T HG    LEU   67 - QB    LYS+  66   4.39 +/- 1.18   4.431% *  0.1688% (0.38   0.02  10.46) =   0.008%
          HB3   LEU   67 - QB    LYS+  66   5.20 +/- 0.47   0.463% *  0.4255% (0.95   0.02  10.46) =   0.002%
          QB    ALA   61 - QB    LYS+  66   7.04 +/- 0.20   0.059% *  0.3757% (0.84   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+  66   9.40 +/- 0.30   0.010% *  0.2190% (0.49   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+  66  10.79 +/- 0.66   0.005% *  0.2190% (0.49   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+  66  13.20 +/- 0.29   0.001% *  0.4255% (0.95   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+  66  13.51 +/- 0.40   0.001% *  0.2728% (0.61   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+  66  14.05 +/- 0.61   0.001% *  0.2367% (0.53   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QB    LYS+  66  18.83 +/- 1.02   0.000% *  0.3902% (0.87   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+  66  22.08 +/- 1.12   0.000% *  0.2910% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  66  22.23 +/- 0.50   0.000% *  0.0788% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.70 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 = 4.43, residual support = 112.8:
    * O T QD    LYS+  66 - QB    LYS+  66   2.24 +/- 0.11  99.800% * 97.7868% (1.00   4.43 112.80) =  99.999%  kept
        T HG2   LYS+  65 - QB    LYS+  66   6.59 +/- 0.16   0.161% *  0.3205% (0.73   0.02  27.52) =   0.001%
          HB3   LYS+ 121 - QB    LYS+  66   9.20 +/- 0.53   0.023% *  0.3031% (0.69   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QB    LYS+  66  11.45 +/- 0.95   0.007% *  0.3534% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  66  12.60 +/- 0.44   0.003% *  0.3031% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  66  13.47 +/- 0.56   0.002% *  0.2322% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  66  13.08 +/- 0.51   0.003% *  0.1656% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  66  15.61 +/- 0.46   0.001% *  0.2498% (0.57   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  66  16.47 +/- 0.36   0.001% *  0.2855% (0.65   0.02   0.02) =   0.000%
    Distance limit 2.74 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 = 3.83, residual support = 112.8:
    *   T QE    LYS+  66 - QB    LYS+  66   3.39 +/- 0.40  99.758% * 99.2752% (1.00   3.83 112.80) = 100.000%  kept
          HB2   ASN   69 - QB    LYS+  66   9.62 +/- 0.62   0.236% *  0.1599% (0.31   0.02   0.02) =   0.000%
          HB3   ASN   35 - QB    LYS+  66  20.17 +/- 0.51   0.003% *  0.4495% (0.87   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  66  19.65 +/- 0.46   0.003% *  0.1154% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 746 (4.07, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 112.8:
    * O T HA    LYS+  66 - QG    LYS+  66   2.47 +/- 0.24  94.494% * 99.7093% (1.00   4.31 112.80) =  99.999%  kept
        T HA    LYS+  66 - HG    LEU   67   5.71 +/- 0.84   0.855% *  0.0356% (0.08   0.02  10.46) =   0.000%
          HA1   GLY   16 - HG    LEU   67   7.99 +/- 2.10   4.594% *  0.0048% (0.01   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  66   8.88 +/- 0.61   0.056% *  0.0626% (0.14   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  66  22.37 +/- 0.47   0.000% *  0.1029% (0.22   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   67  18.81 +/- 1.14   0.001% *  0.0079% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  81 - QG    LYS+  66  27.00 +/- 0.65   0.000% *  0.0713% (0.15   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   67  27.57 +/- 0.79   0.000% *  0.0055% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 0.986, support = 4.34, residual support = 110.1:
    * O T QB    LYS+  66 - QG    LYS+  66   2.05 +/- 0.01  91.168% * 57.4489% (1.00   4.31 112.80) =  96.836%  kept
          QB    LYS+  65 - QG    LYS+  66   3.64 +/- 0.56   4.162% * 41.0760% (0.57   5.44  27.52) =   3.161%  kept
        T QB    LYS+  66 - HG    LEU   67   4.39 +/- 1.18   4.326% *  0.0205% (0.08   0.02  10.46) =   0.002%
          HG    LEU  123 - QG    LYS+  66   5.68 +/- 0.59   0.252% *  0.1510% (0.57   0.02   0.02) =   0.001%
          QB    LYS+  65 - HG    LEU   67   7.45 +/- 1.12   0.060% *  0.0116% (0.04   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   67   9.10 +/- 1.34   0.017% *  0.0116% (0.04   0.02   0.02) =   0.000%
        T HB    VAL   41 - QG    LYS+  66  15.23 +/- 0.37   0.001% *  0.2523% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG    LYS+  66  13.86 +/- 0.32   0.001% *  0.1403% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG    LEU   67   9.98 +/- 0.53   0.007% *  0.0108% (0.04   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG    LEU   67  11.46 +/- 0.77   0.003% *  0.0194% (0.07   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    LYS+  66  17.48 +/- 0.93   0.000% *  0.2392% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    LYS+  66  18.00 +/- 0.97   0.000% *  0.2228% (0.84   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QG    LYS+  66  17.44 +/- 0.59   0.000% *  0.1832% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG    LYS+  66  17.99 +/- 0.85   0.000% *  0.1510% (0.57   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG    LEU   67  14.82 +/- 1.75   0.001% *  0.0141% (0.05   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   67  15.48 +/- 1.66   0.001% *  0.0171% (0.06   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   67  20.03 +/- 1.39   0.000% *  0.0184% (0.07   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   67  21.69 +/- 1.56   0.000% *  0.0116% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 4.12, residual support = 112.8:
    * O T QD    LYS+  66 - QG    LYS+  66   2.11 +/- 0.02  99.534% * 97.4104% (1.00   4.12 112.80) =  99.999%  kept
          HG2   LYS+  65 - QG    LYS+  66   6.13 +/- 0.62   0.194% *  0.3433% (0.73   0.02  27.52) =   0.001%
        T QD    LYS+  66 - HG    LEU   67   6.31 +/- 0.80   0.207% *  0.0364% (0.08   0.02  10.46) =   0.000%
          HB3   LYS+ 121 - QG    LYS+  66  10.25 +/- 0.67   0.008% *  0.3247% (0.69   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QG    LYS+  66  12.39 +/- 1.00   0.003% *  0.3785% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG    LEU   67   9.38 +/- 1.45   0.023% *  0.0264% (0.06   0.02   0.02) =   0.000%
          HG    LEU  104 - QG    LYS+  66  14.46 +/- 0.50   0.001% *  0.3247% (0.69   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HG    LEU   67  10.21 +/- 2.15   0.012% *  0.0250% (0.05   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG    LYS+  66  14.06 +/- 0.78   0.001% *  0.2487% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QG    LYS+  66  13.92 +/- 0.76   0.001% *  0.1774% (0.38   0.02   0.02) =   0.000%
          HG    LEU  104 - HG    LEU   67  10.97 +/- 1.82   0.008% *  0.0250% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG    LYS+  66  15.90 +/- 0.69   0.001% *  0.2676% (0.57   0.02   0.02) =   0.000%
          QG2   THR   26 - QG    LYS+  66  17.43 +/- 0.44   0.000% *  0.3058% (0.65   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG    LEU   67  12.94 +/- 2.18   0.003% *  0.0291% (0.06   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG    LEU   67  13.73 +/- 1.29   0.002% *  0.0137% (0.03   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG    LEU   67  14.95 +/- 1.46   0.001% *  0.0191% (0.04   0.02   0.02) =   0.000%
          QG2   THR   26 - HG    LEU   67  16.28 +/- 0.94   0.001% *  0.0235% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG    LEU   67  18.60 +/- 1.48   0.000% *  0.0206% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 751 (2.87, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.51, residual support = 112.8:
    * O T QE    LYS+  66 - QG    LYS+  66   2.14 +/- 0.10  99.856% * 99.1070% (1.00   3.51 112.80) = 100.000%  kept
        T QE    LYS+  66 - HG    LEU   67   7.72 +/- 0.83   0.063% *  0.0434% (0.08   0.02  10.46) =   0.000%
          HB2   ASN   69 - HG    LEU   67   7.67 +/- 1.16   0.074% *  0.0134% (0.02   0.02   3.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  66  11.13 +/- 0.71   0.006% *  0.1741% (0.31   0.02   0.02) =   0.000%
          HB3   ASN   35 - QG    LYS+  66  22.03 +/- 0.52   0.000% *  0.4892% (0.87   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QG    LYS+  66  20.40 +/- 0.73   0.000% *  0.1256% (0.22   0.02   0.02) =   0.000%
          HB3   ASN   35 - HG    LEU   67  18.50 +/- 1.11   0.000% *  0.0377% (0.07   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG    LEU   67  20.97 +/- 1.07   0.000% *  0.0097% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 4.44, residual support = 112.8:
    *   T HA    LYS+  66 - QD    LYS+  66   2.37 +/- 0.36  99.937% * 99.6853% (1.00   4.44 112.80) = 100.000%  kept
          HA1   GLY   16 - QD    LYS+  66   8.85 +/- 0.70   0.060% *  0.0608% (0.14   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HD2   LYS+ 121  15.32 +/- 1.12   0.002% *  0.0559% (0.12   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  66  22.51 +/- 0.51   0.000% *  0.1000% (0.22   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD    LYS+  66  27.81 +/- 1.07   0.000% *  0.0693% (0.15   0.02   0.02) =   0.000%
          HA1   GLY   16 - HD2   LYS+ 121  20.24 +/- 1.31   0.000% *  0.0076% (0.02   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   LYS+ 121  24.55 +/- 1.59   0.000% *  0.0124% (0.03   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   LYS+ 121  29.67 +/- 1.07   0.000% *  0.0086% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.55 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 = 0.969, support = 4.5, residual support = 106.8:
    * O T QB    LYS+  66 - QD    LYS+  66   2.24 +/- 0.11  89.780% * 58.3915% (1.00   4.43 112.80) =  92.961%  kept
        T QB    LYS+  65 - QD    LYS+  66   3.89 +/- 0.82   9.906% * 40.0689% (0.57   5.37  27.52) =   7.039%  kept
          HG    LEU  123 - QD    LYS+  66   6.19 +/- 0.78   0.270% *  0.1492% (0.57   0.02   0.02) =   0.001%
          HG    LEU  123 - HD2   LYS+ 121   9.24 +/- 1.02   0.025% *  0.0186% (0.07   0.02   2.34) =   0.000%
        T QB    LYS+  66 - HD2   LYS+ 121  11.45 +/- 0.95   0.006% *  0.0328% (0.12   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  66  14.16 +/- 0.36   0.001% *  0.1386% (0.53   0.02   0.02) =   0.000%
          HB    VAL   41 - QD    LYS+  66  15.72 +/- 0.40   0.001% *  0.2493% (0.95   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   LYS+ 121  12.19 +/- 1.08   0.004% *  0.0225% (0.09   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 121  12.90 +/- 1.13   0.003% *  0.0274% (0.10   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD    LYS+  66  18.52 +/- 1.62   0.000% *  0.2363% (0.90   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD    LYS+  66  17.86 +/- 0.53   0.000% *  0.1810% (0.69   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  66  18.72 +/- 0.99   0.000% *  0.2201% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  66  18.99 +/- 1.42   0.000% *  0.1492% (0.57   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   LYS+ 121  16.16 +/- 1.57   0.001% *  0.0310% (0.12   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 121  15.75 +/- 0.82   0.001% *  0.0186% (0.07   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD2   LYS+ 121  17.80 +/- 1.29   0.000% *  0.0294% (0.11   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 121  18.29 +/- 1.31   0.000% *  0.0172% (0.07   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 121  20.07 +/- 1.37   0.000% *  0.0186% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.92 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 = 4.12, residual support = 112.8:
    * O T QG    LYS+  66 - QD    LYS+  66   2.11 +/- 0.02  99.610% * 96.3168% (1.00   4.12 112.80) =  99.999%  kept
        T HG    LEU   67 - QD    LYS+  66   6.31 +/- 0.80   0.207% *  0.1754% (0.38   0.02  10.46) =   0.000%
          QB    ALA   61 - QD    LYS+  66   7.32 +/- 0.89   0.087% *  0.3904% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+  66   7.28 +/- 0.27   0.061% *  0.4421% (0.95   0.02  10.46) =   0.000%
          HB3   LEU  115 - QD    LYS+  66  12.10 +/- 1.17   0.003% *  0.2275% (0.49   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  66  11.76 +/- 0.30   0.003% *  0.2275% (0.49   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  66  15.29 +/- 0.64   0.001% *  0.4421% (0.95   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  66  14.49 +/- 1.00   0.001% *  0.2835% (0.61   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HD2   LYS+ 121  10.47 +/- 1.32   0.009% *  0.0283% (0.06   0.02   0.02) =   0.000%
        T HG    LEU   40 - HD2   LYS+ 121  11.76 +/- 1.67   0.006% *  0.0283% (0.06   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  66  15.46 +/- 0.88   0.001% *  0.2459% (0.53   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HD2   LYS+ 121  12.39 +/- 1.00   0.003% *  0.0581% (0.12   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 121  13.62 +/- 1.41   0.002% *  0.0550% (0.12   0.02   0.02) =   0.000%
        T HG    LEU   67 - HD2   LYS+ 121  12.94 +/- 2.18   0.003% *  0.0218% (0.05   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   LYS+ 121  15.35 +/- 1.80   0.001% *  0.0504% (0.11   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 121  14.16 +/- 1.13   0.001% *  0.0353% (0.08   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    LYS+  66  21.18 +/- 0.97   0.000% *  0.4054% (0.87   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 121  15.26 +/- 0.66   0.001% *  0.0485% (0.10   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  66  24.02 +/- 1.38   0.000% *  0.3024% (0.65   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 121  18.41 +/- 0.98   0.000% *  0.0550% (0.12   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  66  24.12 +/- 0.94   0.000% *  0.0819% (0.18   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 121  23.10 +/- 1.03   0.000% *  0.0306% (0.07   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 121  25.72 +/- 1.61   0.000% *  0.0376% (0.08   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   LYS+ 121  25.84 +/- 1.08   0.000% *  0.0102% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 756 (1.51, 1.51, 29.56 ppm):
    2 diagonal assignments:
    *     QD    LYS+  66 - QD    LYS+  66  (1.00)  kept
          HD2   LYS+ 121 - HD2   LYS+ 121  (0.10)  kept
 
    Peak 757 (2.87, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.45, residual support = 112.8:
    * O T QE    LYS+  66 - QD    LYS+  66   2.09 +/- 0.03  99.992% * 99.0266% (1.00   3.45 112.80) = 100.000%  kept
          HB2   ASN   69 - QD    LYS+  66  10.84 +/- 0.77   0.006% *  0.1770% (0.31   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HD2   LYS+ 121  12.95 +/- 1.26   0.002% *  0.0713% (0.12   0.02   0.02) =   0.000%
          HB3   ASN   35 - QD    LYS+  66  22.32 +/- 0.47   0.000% *  0.4976% (0.87   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  66  21.14 +/- 1.15   0.000% *  0.1277% (0.22   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD2   LYS+ 121  18.34 +/- 1.73   0.000% *  0.0220% (0.04   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD2   LYS+ 121  23.27 +/- 1.58   0.000% *  0.0619% (0.11   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD2   LYS+ 121  25.26 +/- 0.86   0.000% *  0.0159% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 3.86, residual support = 112.8:
    *   T HA    LYS+  66 - QE    LYS+  66   4.04 +/- 0.31  98.396% * 99.5740% (1.00   3.86 112.80) = 100.000%  kept
          HA1   GLY   16 - QE    LYS+  66  10.54 +/- 0.69   0.339% *  0.0697% (0.14   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASP-  76   8.55 +/- 0.31   1.248% *  0.0165% (0.03   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB2   ASP-  76  22.98 +/- 0.52   0.003% *  0.1071% (0.21   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  66  24.04 +/- 0.63   0.002% *  0.1147% (0.22   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   ASP-  76  19.40 +/- 0.48   0.009% *  0.0145% (0.03   0.02   0.02) =   0.000%
          HA    LYS+  81 - QE    LYS+  66  28.67 +/- 0.65   0.001% *  0.0795% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ASP-  76  24.36 +/- 0.51   0.002% *  0.0239% (0.05   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 759 (1.82, 2.87, 42.12 ppm):
    18 chemical-shift based assignments, quality = 0.942, support = 3.95, residual support = 101.5:
    *   T QB    LYS+  66 - QE    LYS+  66   3.39 +/- 0.40  77.122% * 57.7887% (1.00   3.83 112.80) =  86.756%  kept
          QB    LYS+  65 - QE    LYS+  66   4.95 +/- 0.80  16.864% * 40.2827% (0.57   4.72  27.52) =  13.224%  kept
          HG    LEU  123 - QE    LYS+  66   5.55 +/- 0.92   5.935% *  0.1708% (0.57   0.02   0.02) =   0.020%
          HB    VAL   41 - QE    LYS+  66  17.02 +/- 0.50   0.005% *  0.2853% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  66  15.71 +/- 0.43   0.008% *  0.1587% (0.53   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   ASP-  76  13.68 +/- 0.81   0.020% *  0.0562% (0.19   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  66  18.46 +/- 1.31   0.003% *  0.2705% (0.90   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  66  18.59 +/- 0.76   0.003% *  0.2072% (0.69   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  66  19.50 +/- 1.16   0.002% *  0.2520% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  66  18.75 +/- 1.00   0.003% *  0.1708% (0.57   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   ASP-  76  16.32 +/- 0.56   0.007% *  0.0593% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  15.19 +/- 0.62   0.011% *  0.0355% (0.12   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   ASP-  76  16.64 +/- 0.64   0.006% *  0.0330% (0.11   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HB2   ASP-  76  19.65 +/- 0.46   0.002% *  0.0627% (0.21   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   ASP-  76  19.23 +/- 0.71   0.003% *  0.0524% (0.17   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   ASP-  76  18.12 +/- 0.59   0.004% *  0.0355% (0.12   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   ASP-  76  22.38 +/- 0.49   0.001% *  0.0431% (0.14   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  26.17 +/- 0.70   0.000% *  0.0355% (0.12   0.02   0.02) =   0.000%
    Distance limit 5.34 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 = 3.51, residual support = 112.8:
    * O T QG    LYS+  66 - QE    LYS+  66   2.14 +/- 0.10  99.569% * 95.3653% (1.00   3.51 112.80) =  99.999%  kept
          QB    ALA   61 - QE    LYS+  66   7.68 +/- 0.58   0.057% *  0.4533% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  66   8.74 +/- 0.62   0.029% *  0.5134% (0.95   0.02  10.46) =   0.000%
        T HG    LEU   67 - QE    LYS+  66   7.72 +/- 0.83   0.063% *  0.2037% (0.38   0.02  10.46) =   0.000%
          HG    LEU   80 - HB2   ASP-  76   7.43 +/- 0.95   0.089% *  0.0730% (0.13   0.02   0.83) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   6.37 +/- 0.58   0.173% *  0.0198% (0.04   0.02   0.83) =   0.000%
          HB3   LEU  115 - QE    LYS+  66  11.76 +/- 1.13   0.004% *  0.2642% (0.49   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  66  12.93 +/- 0.64   0.002% *  0.2642% (0.49   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  66  14.29 +/- 0.79   0.001% *  0.3292% (0.61   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   ASP-  76  12.12 +/- 0.45   0.003% *  0.1067% (0.20   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  66  16.64 +/- 0.41   0.000% *  0.5134% (0.95   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   ASP-  76  12.94 +/- 0.47   0.002% *  0.0942% (0.17   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   ASP-  76  12.77 +/- 0.34   0.002% *  0.0684% (0.13   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  66  17.02 +/- 0.74   0.000% *  0.2855% (0.53   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   ASP-  76  13.08 +/- 0.70   0.002% *  0.0594% (0.11   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QE    LYS+  66  22.05 +/- 1.48   0.000% *  0.4707% (0.87   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB2   ASP-  76  20.40 +/- 0.73   0.000% *  0.1128% (0.21   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   ASP-  76  20.31 +/- 0.82   0.000% *  0.1067% (0.20   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  66  25.05 +/- 1.07   0.000% *  0.3511% (0.65   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB2   ASP-  76  18.40 +/- 0.64   0.000% *  0.0549% (0.10   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   ASP-  76  19.38 +/- 1.09   0.000% *  0.0549% (0.10   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB2   ASP-  76  20.97 +/- 1.07   0.000% *  0.0423% (0.08   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  66  25.09 +/- 0.59   0.000% *  0.0950% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   ASP-  76  25.62 +/- 0.94   0.000% *  0.0979% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 3.45, residual support = 112.8:
    * O T QD    LYS+  66 - QE    LYS+  66   2.09 +/- 0.03  99.788% * 96.4976% (1.00   3.45 112.80) = 100.000%  kept
          HG2   LYS+  65 - QE    LYS+  66   7.55 +/- 0.84   0.060% *  0.4059% (0.73   0.02  27.52) =   0.000%
          HD3   LYS+  74 - HB2   ASP-  76   7.44 +/- 0.61   0.056% *  0.0611% (0.11   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   ASP-  76   7.61 +/- 0.80   0.063% *  0.0436% (0.08   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  66  11.01 +/- 1.08   0.006% *  0.3840% (0.69   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   ASP-  76   8.64 +/- 0.56   0.022% *  0.0752% (0.13   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QE    LYS+  66  12.95 +/- 1.26   0.002% *  0.4476% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  66  15.82 +/- 0.77   0.001% *  0.3840% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  66  15.60 +/- 0.91   0.001% *  0.2941% (0.53   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  66  16.56 +/- 1.04   0.000% *  0.3165% (0.57   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  66  15.66 +/- 0.64   0.001% *  0.2098% (0.38   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  66  19.01 +/- 0.48   0.000% *  0.3616% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   ASP-  76  18.55 +/- 0.70   0.000% *  0.0844% (0.15   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HB2   ASP-  76  21.14 +/- 1.15   0.000% *  0.1162% (0.21   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   ASP-  76  19.87 +/- 0.39   0.000% *  0.0658% (0.12   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   ASP-  76  22.14 +/- 0.43   0.000% *  0.0798% (0.14   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   ASP-  76  23.69 +/- 0.42   0.000% *  0.0798% (0.14   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HB2   ASP-  76  25.26 +/- 0.86   0.000% *  0.0931% (0.17   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (2.87, 2.87, 42.12 ppm):
    2 diagonal assignments:
    *     QE    LYS+  66 - QE    LYS+  66  (1.00)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.05)  kept
 
    Peak 764 (4.72, 4.72, 64.19 ppm):
    1 diagonal assignment:
    *     HA    PRO   68 - HA    PRO   68  (1.00)  kept
 
    Peak 765 (2.11, 4.72, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 36.8:
    * O T HB2   PRO   68 - HA    PRO   68   2.69 +/- 0.13  99.996% * 96.6727% (0.84   2.00  36.77) = 100.000%  kept
          HG3   GLU- 100 - HA    PRO   68  16.22 +/- 0.61   0.002% *  1.0380% (0.90   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   68  17.12 +/- 0.76   0.002% *  1.1345% (0.98   0.02   0.02) =   0.000%
        T HB    VAL   24 - HA    PRO   68  24.82 +/- 1.12   0.000% *  1.1548% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (4.72, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 36.8:
    * O T HA    PRO   68 - HB2   PRO   68   2.69 +/- 0.13 100.000% * 99.1920% (0.84   2.00  36.77) = 100.000%  kept
        T HA    PRO   68 - HB    VAL   24  24.82 +/- 1.12   0.000% *  0.8080% (0.68   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 59.8:
    * O T HB2   ASN   69 - HA    ASN   69   2.51 +/- 0.18  99.956% * 98.7776% (1.00   3.31  59.79) = 100.000%  kept
          QE    LYS+  33 - HA    ASN   69  10.92 +/- 2.26   0.036% *  0.0920% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  66 - HA    ASN   69  12.36 +/- 0.39   0.008% *  0.1841% (0.31   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   69  22.69 +/- 0.54   0.000% *  0.5846% (0.98   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   69  27.16 +/- 0.51   0.000% *  0.3617% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 59.8:
    * O T HB3   ASN   69 - HA    ASN   69   2.52 +/- 0.13  99.965% * 98.4955% (1.00   3.00  59.79) = 100.000%  kept
          HB2   PHE   72 - HA    ASN   69   9.88 +/- 0.82   0.032% *  0.4768% (0.73   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASN   69  14.67 +/- 0.81   0.003% *  0.5018% (0.76   0.02   0.02) =   0.000%
          QB    CYS   50 - HA    ASN   69  23.24 +/- 0.81   0.000% *  0.5258% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.86 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 = 59.8:
    * O T HA    ASN   69 - HB2   ASN   69   2.51 +/- 0.18  99.998% * 98.8794% (1.00   3.31  59.79) = 100.000%  kept
          HA    VAL   43 - HB2   ASN   69  15.64 +/- 0.50   0.002% *  0.5354% (0.90   0.02   0.02) =   0.000%
          HA    HIS   22 - HB2   ASN   69  23.67 +/- 0.58   0.000% *  0.5852% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 59.8:
    * O T HB3   ASN   69 - HB2   ASN   69   1.75 +/- 0.00  99.998% * 98.8585% (1.00   3.97  59.79) = 100.000%  kept
          HB2   PHE   72 - HB2   ASN   69  11.51 +/- 0.78   0.001% *  0.3618% (0.73   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASN   69  16.07 +/- 0.68   0.000% *  0.3808% (0.76   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASN   69  24.53 +/- 0.75   0.000% *  0.3990% (0.80   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 = 59.8:
    * O T HA    ASN   69 - HB3   ASN   69   2.52 +/- 0.13  99.998% * 98.7641% (1.00   3.00  59.79) = 100.000%  kept
          HA    VAL   43 - HB3   ASN   69  15.61 +/- 0.45   0.002% *  0.5905% (0.90   0.02   0.02) =   0.000%
          HA    HIS   22 - HB3   ASN   69  23.63 +/- 0.53   0.000% *  0.6454% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 59.8:
    * O T HB2   ASN   69 - HB3   ASN   69   1.75 +/- 0.00  99.997% * 98.9775% (1.00   3.97  59.79) = 100.000%  kept
          QE    LYS+  66 - HB3   ASN   69  12.36 +/- 0.98   0.001% *  0.1540% (0.31   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   69  12.02 +/- 1.95   0.002% *  0.0770% (0.15   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   69  24.39 +/- 0.46   0.000% *  0.4890% (0.98   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   69  28.83 +/- 0.52   0.000% *  0.3026% (0.61   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 = 81.7:
    * O T HB    VAL   70 - HA    VAL   70   3.02 +/- 0.00  97.079% * 97.0163% (1.00   4.31  81.72) =  99.998%  kept
          HB2   LYS+  38 - HA    VAL   70   9.31 +/- 1.21   0.686% *  0.0890% (0.20   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    SER   48   6.06 +/- 0.62   1.863% *  0.0256% (0.06   0.02   0.02) =   0.001%
          HB2   GLU-  25 - HB2   SER   82   9.08 +/- 0.98   0.179% *  0.2062% (0.46   0.02   0.02) =   0.000%
        T QG    GLN   17 - HA    VAL   70  10.49 +/- 0.89   0.066% *  0.4459% (0.99   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    VAL   70  10.42 +/- 0.55   0.062% *  0.1388% (0.31   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    VAL   70  12.40 +/- 0.35   0.021% *  0.3438% (0.76   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   SER   82  11.87 +/- 0.77   0.029% *  0.0544% (0.12   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   SER   82  16.50 +/- 0.79   0.004% *  0.1666% (0.37   0.02   0.02) =   0.000%
        T QG    GLN   17 - HA    SER   48  16.22 +/- 1.41   0.005% *  0.1016% (0.23   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    VAL   70  21.36 +/- 0.47   0.001% *  0.4255% (0.95   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   48  17.21 +/- 0.20   0.003% *  0.0783% (0.17   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB2   SER   82  21.62 +/- 1.39   0.001% *  0.2161% (0.48   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    SER   48  19.83 +/- 0.56   0.001% *  0.0969% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    VAL   70  21.21 +/- 0.62   0.001% *  0.1122% (0.25   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB2   SER   82  24.64 +/- 0.65   0.000% *  0.2180% (0.48   0.02   0.02) =   0.000%
        T HB    VAL   70 - HA    SER   48  22.24 +/- 0.75   0.001% *  0.1025% (0.23   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   SER   82  26.33 +/- 0.76   0.000% *  0.0673% (0.15   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   SER   82  25.68 +/- 1.07   0.000% *  0.0431% (0.10   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   48  30.75 +/- 0.43   0.000% *  0.0316% (0.07   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   48  30.56 +/- 1.47   0.000% *  0.0203% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 779 (0.86, 4.01, 61.79 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.93, residual support = 81.7:
    * O T QG1   VAL   70 - HA    VAL   70   2.48 +/- 0.07  99.148% * 97.0216% (1.00   4.93  81.72) =  99.997%  kept
          QD1   LEU   71 - HA    VAL   70   5.69 +/- 0.29   0.712% *  0.3637% (0.92   0.02  31.48) =   0.003%
        T QG1   VAL   18 - HA    VAL   70   9.25 +/- 0.64   0.040% *  0.3861% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    VAL   70   9.06 +/- 0.75   0.045% *  0.2230% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   70  10.53 +/- 0.86   0.019% *  0.3637% (0.92   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   70  10.91 +/- 0.42   0.014% *  0.2389% (0.61   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HA    SER   48  10.80 +/- 0.78   0.017% *  0.0880% (0.22   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HB2   SER   82  15.19 +/- 0.52   0.002% *  0.1871% (0.47   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   SER   82  16.15 +/- 1.00   0.001% *  0.1762% (0.45   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    SER   48  18.07 +/- 1.49   0.001% *  0.0828% (0.21   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HB2   SER   82  21.84 +/- 0.50   0.000% *  0.1909% (0.48   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HA    SER   48  20.39 +/- 0.61   0.000% *  0.0897% (0.23   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    SER   48  18.99 +/- 0.83   0.001% *  0.0508% (0.13   0.02   0.02) =   0.000%
        T QD1   LEU  123 - HA    SER   48  21.42 +/- 0.80   0.000% *  0.0828% (0.21   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   SER   82  26.53 +/- 0.68   0.000% *  0.1762% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   SER   82  24.87 +/- 0.79   0.000% *  0.1081% (0.27   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   SER   82  25.87 +/- 0.82   0.000% *  0.1158% (0.29   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    SER   48  25.93 +/- 0.41   0.000% *  0.0544% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 780 (0.19, 4.01, 61.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 81.7:
    * O T QG2   VAL   70 - HA    VAL   70   2.40 +/- 0.08  99.999% * 99.6451% (0.80   4.00  81.72) = 100.000%  kept
        T QG2   VAL   70 - HB2   SER   82  19.28 +/- 0.51   0.000% *  0.2414% (0.39   0.02   0.02) =   0.000%
        T QG2   VAL   70 - HA    SER   48  18.42 +/- 0.61   0.001% *  0.1135% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 81.7:
    * O T HA    VAL   70 - HB    VAL   70   3.02 +/- 0.00  84.948% * 97.3361% (1.00   4.31  81.72) =  99.992%  kept
          HA    VAL   18 - QG    GLN   17   5.23 +/- 0.72   4.865% *  0.0576% (0.13   0.02  51.04) =   0.003%
          HA1   GLY   16 - QG    GLN   17   4.50 +/- 0.43   8.876% *  0.0166% (0.04   0.02  18.35) =   0.002%
          HA    VAL   18 - HB    VAL   70   7.69 +/- 0.31   0.324% *  0.3100% (0.69   0.02   0.02) =   0.001%
          HA1   GLY   16 - HB    VAL   70   7.27 +/- 0.98   0.833% *  0.0893% (0.20   0.02   0.02) =   0.001%
          HB2   SER   37 - HB    VAL   70  10.67 +/- 0.70   0.048% *  0.2197% (0.49   0.02   0.02) =   0.000%
        T HA    VAL   70 - QG    GLN   17  10.49 +/- 0.89   0.057% *  0.0838% (0.19   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   70  13.34 +/- 0.42   0.012% *  0.3915% (0.87   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   70  15.64 +/- 0.59   0.005% *  0.4513% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   70  17.35 +/- 0.40   0.002% *  0.3277% (0.73   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    GLN   17  14.70 +/- 1.47   0.008% *  0.0727% (0.16   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    GLN   17  14.37 +/- 1.40   0.009% *  0.0408% (0.09   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    GLN   17  15.96 +/- 1.54   0.005% *  0.0609% (0.13   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    GLN   17  17.96 +/- 1.10   0.002% *  0.0838% (0.19   0.02   0.02) =   0.000%
        T HA    SER   48 - QG    GLN   17  16.22 +/- 1.41   0.004% *  0.0209% (0.05   0.02   0.02) =   0.000%
        T HB2   SER   82 - HB    VAL   70  24.64 +/- 0.65   0.000% *  0.2737% (0.61   0.02   0.02) =   0.000%
        T HA    SER   48 - HB    VAL   70  22.24 +/- 0.75   0.001% *  0.1125% (0.25   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG    GLN   17  21.62 +/- 1.39   0.001% *  0.0508% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 5.38, residual support = 81.7:
    * O T QG1   VAL   70 - HB    VAL   70   2.14 +/- 0.01  99.174% * 98.2004% (1.00   5.38  81.72) =  99.999%  kept
          HB3   LEU   63 - HB    VAL   70   6.17 +/- 0.73   0.205% *  0.2068% (0.57   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG    GLN   17   5.88 +/- 0.67   0.402% *  0.0665% (0.18   0.02  51.04) =   0.000%
          QD1   LEU   71 - HB    VAL   70   7.09 +/- 0.26   0.076% *  0.3371% (0.92   0.02  31.48) =   0.000%
          QG1   VAL   18 - HB    VAL   70   8.06 +/- 0.63   0.038% *  0.3580% (0.98   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB    VAL   70   8.58 +/- 0.78   0.028% *  0.3371% (0.92   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG    GLN   17   8.12 +/- 1.04   0.046% *  0.0626% (0.17   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   70  10.41 +/- 0.50   0.008% *  0.2215% (0.61   0.02   0.02) =   0.000%
        T QG1   VAL   70 - QG    GLN   17   9.50 +/- 0.60   0.014% *  0.0678% (0.19   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG    GLN   17  10.58 +/- 0.75   0.007% *  0.0384% (0.11   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG    GLN   17  13.00 +/- 0.77   0.002% *  0.0626% (0.17   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG    GLN   17  18.21 +/- 0.62   0.000% *  0.0411% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 81.7:
    * O T QG2   VAL   70 - HB    VAL   70   2.13 +/- 0.01  99.981% * 99.9139% (0.80   4.31  81.72) = 100.000%  kept
        T QG2   VAL   70 - QG    GLN   17   9.04 +/- 0.59   0.019% *  0.0861% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 785 (4.01, 0.86, 24.07 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.93, residual support = 81.7:
    * O T HA    VAL   70 - QG1   VAL   70   2.48 +/- 0.07  99.591% * 98.0801% (1.00   4.93  81.72) =  99.999%  kept
          HA1   GLY   16 - QG1   VAL   70   7.33 +/- 0.90   0.252% *  0.0788% (0.20   0.02   0.02) =   0.000%
        T HA    VAL   18 - QG1   VAL   70   8.44 +/- 0.26   0.065% *  0.2736% (0.69   0.02   0.02) =   0.000%
          HB2   SER   37 - QG1   VAL   70   8.47 +/- 0.71   0.074% *  0.1938% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   70  11.39 +/- 0.29   0.011% *  0.3454% (0.87   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   70  13.35 +/- 0.48   0.004% *  0.3982% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   70  15.33 +/- 0.27   0.002% *  0.2892% (0.73   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   70  21.84 +/- 0.50   0.000% *  0.2415% (0.61   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   70  20.39 +/- 0.61   0.000% *  0.0993% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 786 (2.20, 0.86, 24.07 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.38, residual support = 81.7:
    * O T HB    VAL   70 - QG1   VAL   70   2.14 +/- 0.01  99.924% * 98.7306% (1.00   5.38  81.72) = 100.000%  kept
        T QG    GLN   17 - QG1   VAL   70   9.50 +/- 0.60   0.014% *  0.3639% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG1   VAL   70   8.85 +/- 0.82   0.034% *  0.0727% (0.20   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG1   VAL   70   8.87 +/- 0.40   0.020% *  0.1133% (0.31   0.02   0.02) =   0.000%
          HB2   MET   96 - QG1   VAL   70  10.48 +/- 0.29   0.007% *  0.2806% (0.76   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG1   VAL   70  19.91 +/- 0.39   0.000% *  0.3473% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG1   VAL   70  18.59 +/- 0.52   0.000% *  0.0916% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 787 (0.86, 0.86, 24.07 ppm):
    1 diagonal assignment:
    *     QG1   VAL   70 - QG1   VAL   70  (1.00)  kept
 
    Peak 788 (0.19, 0.86, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.93, residual support = 81.7:
    * O T QG2   VAL   70 - QG1   VAL   70   2.09 +/- 0.03 100.000% *100.0000% (0.80   4.93  81.72) = 100.000%  kept
    Distance limit 2.62 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 = 81.7:
    * O T HA    VAL   70 - QG2   VAL   70   2.40 +/- 0.08  99.556% * 97.6462% (0.80   4.00  81.72) =  99.999%  kept
          HA    VAL   18 - QG2   VAL   70   6.80 +/- 0.33   0.210% *  0.3354% (0.55   0.02   0.02) =   0.001%
          HB2   SER   37 - QG2   VAL   70   8.01 +/- 0.66   0.080% *  0.2376% (0.39   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG2   VAL   70   7.75 +/- 0.86   0.126% *  0.0966% (0.16   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   70  10.04 +/- 0.28   0.019% *  0.4235% (0.69   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   70  13.31 +/- 0.56   0.004% *  0.4882% (0.80   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   70  13.33 +/- 0.27   0.003% *  0.3545% (0.58   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG2   VAL   70  19.28 +/- 0.51   0.000% *  0.2961% (0.49   0.02   0.02) =   0.000%
        T HA    SER   48 - QG2   VAL   70  18.42 +/- 0.61   0.001% *  0.1217% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 81.7:
    * O T HB    VAL   70 - QG2   VAL   70   2.13 +/- 0.01  99.866% * 98.4222% (0.80   4.31  81.72) = 100.000%  kept
          HB2   MET   96 - QG2   VAL   70   8.21 +/- 0.27   0.031% *  0.3488% (0.61   0.02   0.02) =   0.000%
        T QG    GLN   17 - QG2   VAL   70   9.04 +/- 0.59   0.019% *  0.4523% (0.79   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG2   VAL   70   8.63 +/- 0.92   0.059% *  0.0903% (0.16   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   VAL   70   8.68 +/- 0.53   0.024% *  0.1409% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG2   VAL   70  17.62 +/- 0.37   0.000% *  0.4317% (0.76   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   VAL   70  16.29 +/- 0.49   0.001% *  0.1138% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 4.93, residual support = 81.7:
    * O T QG1   VAL   70 - QG2   VAL   70   2.09 +/- 0.03  99.029% * 98.4022% (0.80   4.93  81.72) =  99.997%  kept
          QD1   LEU   71 - QG2   VAL   70   5.28 +/- 0.23   0.401% *  0.3688% (0.74   0.02  31.48) =   0.002%
          HB3   LEU   63 - QG2   VAL   70   5.56 +/- 0.73   0.363% *  0.2262% (0.45   0.02   0.02) =   0.001%
          QG1   VAL   18 - QG2   VAL   70   6.73 +/- 0.68   0.102% *  0.3916% (0.78   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   70   7.71 +/- 0.67   0.046% *  0.3688% (0.74   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG2   VAL   70   7.26 +/- 0.35   0.059% *  0.2423% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.77 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 = 126.4:
    * O T HB2   LEU   71 - HA    LEU   71   2.98 +/- 0.02  98.890% * 98.3317% (1.00   5.31 126.38) =  99.998%  kept
          HB    VAL   41 - HA    LEU   71   7.12 +/- 0.98   0.773% *  0.1264% (0.34   0.02   2.75) =   0.001%
          HB3   GLN   17 - HA    LEU   71   8.69 +/- 0.94   0.218% *  0.2398% (0.65   0.02   0.02) =   0.001%
          QB    LYS+  65 - HA    LEU   71  10.65 +/- 0.47   0.049% *  0.3699% (1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LEU   71  10.39 +/- 0.33   0.056% *  0.1950% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   71  14.93 +/- 0.44   0.006% *  0.3578% (0.97   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   71  14.71 +/- 0.64   0.007% *  0.0825% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   71  20.86 +/- 0.84   0.001% *  0.2968% (0.80   0.02   0.02) =   0.000%
    Distance limit 5.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (1.20, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 126.4:
    * O T HB3   LEU   71 - HA    LEU   71   2.65 +/- 0.07  99.995% * 98.5254% (1.00   4.31 126.38) = 100.000%  kept
          QG2   THR   94 - HA    LEU   71  14.15 +/- 0.16   0.004% *  0.3317% (0.73   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    LEU   71  22.50 +/- 0.64   0.000% *  0.4528% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    LEU   71  23.35 +/- 0.72   0.000% *  0.3138% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LEU   71  22.80 +/- 0.77   0.000% *  0.1715% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LEU   71  23.99 +/- 0.29   0.000% *  0.2048% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (0.86, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 0.994, support = 4.02, residual support = 119.6:
    *   T QD1   LEU   71 - HA    LEU   71   3.53 +/- 0.37  90.282% * 47.0399% (1.00   3.97 126.38) =  92.877%  kept
          QG1   VAL   70 - HA    LEU   71   5.62 +/- 0.01   6.222% * 52.2460% (0.92   4.77  31.48) =   7.109%  kept
          QG1   VAL   18 - HA    LEU   71   6.41 +/- 0.58   3.095% *  0.1980% (0.84   0.02   0.02) =   0.013%
          HB3   LEU   63 - HA    LEU   71   9.43 +/- 0.92   0.320% *  0.0809% (0.34   0.02   0.02) =   0.001%
          QD1   LEU  123 - HA    LEU   71  12.54 +/- 0.70   0.051% *  0.2371% (1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU   71  13.67 +/- 0.38   0.031% *  0.1980% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 797 (0.96, 4.65, 54.05 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 126.4:
    *   T QD2   LEU   71 - HA    LEU   71   1.92 +/- 0.03  99.704% * 98.4406% (1.00   5.00 126.38) =  99.999%  kept
          QD1   LEU   67 - HA    LEU   71   6.60 +/- 1.17   0.267% *  0.1765% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    LEU   71   7.68 +/- 0.25   0.025% *  0.1619% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    LEU   71  12.33 +/- 0.61   0.002% *  0.2705% (0.69   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    LEU   71  13.44 +/- 0.73   0.001% *  0.3416% (0.87   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LEU   71  13.73 +/- 0.44   0.001% *  0.3860% (0.98   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LEU   71  13.60 +/- 0.21   0.001% *  0.2229% (0.57   0.02   0.02) =   0.000%
    Distance limit 5.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 798 (4.65, 1.80, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 126.4:
    * O T HA    LEU   71 - HB2   LEU   71   2.98 +/- 0.02  99.753% * 99.7751% (1.00   5.31 126.38) = 100.000%  kept
          HA    VAL   43 - HB2   LEU   71   8.35 +/- 0.37   0.212% *  0.0837% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - HB2   LEU   71  11.27 +/- 0.47   0.035% *  0.1412% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 799 (1.80, 1.80, 44.15 ppm):
    1 diagonal assignment:
    *     HB2   LEU   71 - HB2   LEU   71  (1.00)  kept
 
    Peak 800 (1.20, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 126.4:
    * O T HB3   LEU   71 - HB2   LEU   71   1.75 +/- 0.00  99.999% * 98.7189% (1.00   4.97 126.38) = 100.000%  kept
          QG2   THR   94 - HB2   LEU   71  13.62 +/- 0.31   0.000% *  0.2882% (0.73   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB2   LEU   71  23.86 +/- 0.59   0.000% *  0.3934% (0.99   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LEU   71  21.62 +/- 1.00   0.000% *  0.1490% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB2   LEU   71  24.43 +/- 0.75   0.000% *  0.2726% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LEU   71  24.21 +/- 0.25   0.000% *  0.1779% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.78 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 = 4.9, residual support = 126.4:
    * O T QD1   LEU   71 - HB2   LEU   71   2.30 +/- 0.15  99.602% * 98.4194% (1.00   4.90 126.38) =  99.999%  kept
          QG1   VAL   70 - HB2   LEU   71   6.24 +/- 0.27   0.280% *  0.3708% (0.92   0.02  31.48) =   0.001%
          QG1   VAL   18 - HB2   LEU   71   7.48 +/- 0.74   0.101% *  0.3355% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU   71  10.86 +/- 0.91   0.011% *  0.1370% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU   71  12.76 +/- 0.49   0.004% *  0.3355% (0.84   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   71  13.59 +/- 0.80   0.003% *  0.4017% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 802 (0.96, 1.80, 44.15 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 126.4:
    * O T QD2   LEU   71 - HB2   LEU   71   3.20 +/- 0.01  98.049% * 98.5648% (1.00   5.44 126.38) =  99.997%  kept
          QD2   LEU   40 - HB2   LEU   71   6.78 +/- 0.44   1.204% *  0.1490% (0.41   0.02   0.02) =   0.002%
          QD1   LEU   67 - HB2   LEU   71   7.74 +/- 0.79   0.651% *  0.1625% (0.45   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   LEU   71  12.13 +/- 0.53   0.035% *  0.3552% (0.98   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   71  12.36 +/- 0.27   0.030% *  0.2052% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   71  13.30 +/- 0.69   0.021% *  0.2490% (0.69   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LEU   71  14.64 +/- 0.74   0.011% *  0.3144% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 803 (4.65, 1.20, 44.15 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 126.4:
    * O T HA    LEU   71 - HB3   LEU   71   2.65 +/- 0.07  99.919% * 99.7235% (1.00   4.31 126.38) = 100.000%  kept
          HA    VAL   43 - HB3   LEU   71   9.22 +/- 0.71   0.064% *  0.1029% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - HB3   LEU   71  11.60 +/- 0.95   0.016% *  0.1735% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (1.80, 1.20, 44.15 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 126.4:
    * O T HB2   LEU   71 - HB3   LEU   71   1.75 +/- 0.00  99.831% * 98.2229% (1.00   4.97 126.38) = 100.000%  kept
          HB    VAL   41 - HB3   LEU   71   5.79 +/- 1.16   0.164% *  0.1347% (0.34   0.02   2.75) =   0.000%
          HB3   GLN   17 - HB3   LEU   71  10.90 +/- 1.16   0.002% *  0.2555% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB3   LEU   71  12.78 +/- 0.46   0.001% *  0.3940% (1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   LEU   71  12.10 +/- 0.31   0.001% *  0.2078% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   LEU   71  13.73 +/- 0.54   0.000% *  0.3811% (0.97   0.02   0.02) =   0.000%
        T HG12  ILE  103 - HB3   LEU   71  13.78 +/- 0.59   0.000% *  0.0879% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   LEU   71  21.96 +/- 1.06   0.000% *  0.3162% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 3.65, residual support = 126.4:
    * O T QD1   LEU   71 - HB3   LEU   71   2.56 +/- 0.40  98.864% * 97.8923% (1.00   3.66 126.38) =  99.994%  kept
          QG1   VAL   70 - HB3   LEU   71   6.16 +/- 0.49   0.914% *  0.4945% (0.92   0.02  31.48) =   0.005%
          QG1   VAL   18 - HB3   LEU   71   7.76 +/- 0.88   0.185% *  0.4474% (0.84   0.02   0.02) =   0.001%
          QD1   LEU  123 - HB3   LEU   71  13.68 +/- 0.83   0.008% *  0.5357% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU   71  11.16 +/- 0.91   0.022% *  0.1827% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU   71  13.40 +/- 0.48   0.007% *  0.4474% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 807 (0.96, 1.20, 44.15 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 126.4:
    * O T QD2   LEU   71 - HB3   LEU   71   2.47 +/- 0.04  99.697% * 98.2477% (1.00   4.44 126.38) =  99.999%  kept
          QD1   LEU   67 - HB3   LEU   71   7.84 +/- 0.86   0.139% *  0.1984% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB3   LEU   71   7.36 +/- 0.38   0.149% *  0.1819% (0.41   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB3   LEU   71  13.00 +/- 0.56   0.005% *  0.4337% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LEU   71  13.72 +/- 0.87   0.004% *  0.3040% (0.69   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB3   LEU   71  13.15 +/- 0.32   0.004% *  0.2505% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB3   LEU   71  14.83 +/- 0.72   0.002% *  0.3838% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 808 (4.65, 0.86, 26.50 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 126.4:
    *   T HA    LEU   71 - QD1   LEU   71   3.53 +/- 0.37  98.790% * 99.6995% (1.00   3.97 126.38) =  99.998%  kept
          HA    VAL   43 - QD1   LEU   71   8.10 +/- 1.11   0.845% *  0.1119% (0.22   0.02   0.02) =   0.001%
          HA    ALA   20 - QD1   LEU   71   9.06 +/- 1.14   0.365% *  0.1886% (0.38   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 809 (1.80, 0.86, 26.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.9, residual support = 126.4:
    * O T HB2   LEU   71 - QD1   LEU   71   2.30 +/- 0.15  98.772% * 98.1963% (1.00   4.90 126.38) =  99.998%  kept
          HB    VAL   41 - QD1   LEU   71   5.44 +/- 1.10   1.171% *  0.1367% (0.34   0.02   2.75) =   0.002%
          HB3   GLN   17 - QD1   LEU   71   9.14 +/- 1.25   0.035% *  0.2593% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD1   LEU   71  11.73 +/- 0.70   0.006% *  0.3999% (1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD1   LEU   71  12.33 +/- 0.57   0.005% *  0.3868% (0.97   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD1   LEU   71  11.55 +/- 0.51   0.006% *  0.2109% (0.53   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU   71  12.28 +/- 0.71   0.004% *  0.0892% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD1   LEU   71  18.91 +/- 1.03   0.000% *  0.3209% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 810 (1.20, 0.86, 26.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.66, residual support = 126.4:
    * O T HB3   LEU   71 - QD1   LEU   71   2.56 +/- 0.40  99.981% * 98.2644% (1.00   3.66 126.38) = 100.000%  kept
          QG2   THR   94 - QD1   LEU   71  12.62 +/- 0.86   0.016% *  0.3904% (0.73   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   LEU   71  21.40 +/- 1.15   0.001% *  0.5329% (0.99   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   LEU   71  18.53 +/- 1.12   0.001% *  0.2018% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD1   LEU   71  21.98 +/- 1.19   0.000% *  0.3693% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   LEU   71  21.84 +/- 0.95   0.000% *  0.2411% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 811 (0.86, 0.86, 26.50 ppm):
    1 diagonal assignment:
    *     QD1   LEU   71 - QD1   LEU   71  (1.00)  kept
 
    Peak 812 (0.96, 0.86, 26.50 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.1, residual support = 126.4:
    * O T QD2   LEU   71 - QD1   LEU   71   2.02 +/- 0.05  99.912% * 98.1027% (1.00   4.10 126.38) = 100.000%  kept
          QD2   LEU   40 - QD1   LEU   71   7.41 +/- 0.41   0.044% *  0.1970% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD1   LEU   71   8.01 +/- 0.79   0.033% *  0.2148% (0.45   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   LEU   71  11.42 +/- 0.68   0.003% *  0.4696% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   LEU   71  11.34 +/- 1.32   0.004% *  0.3291% (0.69   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   LEU   71  11.86 +/- 0.50   0.003% *  0.2712% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD1   LEU   71  13.75 +/- 0.74   0.001% *  0.4156% (0.87   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 = 126.4:
    *   T HA    LEU   71 - QD2   LEU   71   1.92 +/- 0.03  99.975% * 99.7614% (1.00   5.00 126.38) = 100.000%  kept
          HA    ALA   20 - QD2   LEU   71   8.83 +/- 0.36   0.011% *  0.1498% (0.38   0.02   0.02) =   0.000%
          HA    VAL   43 - QD2   LEU   71   8.52 +/- 0.45   0.014% *  0.0888% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 814 (1.80, 0.96, 23.45 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 126.4:
    * O T HB2   LEU   71 - QD2   LEU   71   3.20 +/- 0.01  97.069% * 98.3722% (1.00   5.44 126.38) =  99.994%  kept
          HB3   GLN   17 - QD2   LEU   71   7.17 +/- 1.07   1.378% *  0.2340% (0.65   0.02   0.02) =   0.003%
          HB    VAL   41 - QD2   LEU   71   6.97 +/- 0.94   1.300% *  0.1234% (0.34   0.02   2.75) =   0.002%
          QB    LYS+  65 - QD2   LEU   71   9.93 +/- 0.53   0.116% *  0.3609% (1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU   71  10.10 +/- 0.31   0.100% *  0.1903% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD2   LEU   71  13.51 +/- 0.41   0.018% *  0.3491% (0.97   0.02   0.02) =   0.000%
        T HG12  ILE  103 - QD2   LEU   71  13.62 +/- 0.54   0.017% *  0.0805% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU   71  18.83 +/- 0.75   0.002% *  0.2896% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 815 (1.20, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 126.4:
    * O T HB3   LEU   71 - QD2   LEU   71   2.47 +/- 0.04  99.994% * 98.5671% (1.00   4.44 126.38) = 100.000%  kept
          QG2   THR   94 - QD2   LEU   71  13.10 +/- 0.33   0.005% *  0.3224% (0.73   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD2   LEU   71  20.44 +/- 0.64   0.000% *  0.4400% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD2   LEU   71  21.23 +/- 0.70   0.000% *  0.3049% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD2   LEU   71  19.73 +/- 0.72   0.000% *  0.1666% (0.38   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD2   LEU   71  21.76 +/- 0.41   0.000% *  0.1990% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 816 (0.86, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.1, residual support = 126.4:
    * O T QD1   LEU   71 - QD2   LEU   71   2.02 +/- 0.05  99.662% * 98.1146% (1.00   4.10 126.38) =  99.999%  kept
          QG1   VAL   70 - QD2   LEU   71   5.90 +/- 0.19   0.165% *  0.4423% (0.92   0.02  31.48) =   0.001%
          QG1   VAL   18 - QD2   LEU   71   5.97 +/- 0.36   0.161% *  0.4002% (0.84   0.02   0.02) =   0.001%
          HB3   LEU   63 - QD2   LEU   71   9.73 +/- 0.79   0.009% *  0.1634% (0.34   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU   71  11.95 +/- 0.58   0.002% *  0.4792% (1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU   71  13.11 +/- 0.32   0.001% *  0.4002% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 817 (0.96, 0.96, 23.45 ppm):
    1 diagonal assignment:
    *     QD2   LEU   71 - QD2   LEU   71  (1.00)  kept
 
    Peak 818 (5.27, 5.27, 56.60 ppm):
    1 diagonal assignment:
    *     HA    PHE   72 - HA    PHE   72  (0.58)  kept
 
    Peak 819 (2.83, 5.27, 56.60 ppm):
    3 chemical-shift based assignments, quality = 0.638, support = 3.72, residual support = 83.8:
    * O T HB2   PHE   72 - HA    PHE   72   2.86 +/- 0.20  98.506% * 99.2968% (0.64   3.72  83.76) =  99.993%  kept
          HA    ALA   64 - HA    PHE   72   5.87 +/- 0.29   1.464% *  0.4636% (0.55   0.02  40.29) =   0.007%
          HB3   ASN   69 - HA    PHE   72  11.25 +/- 0.32   0.029% *  0.2396% (0.29   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 83.8:
    * O T HB3   PHE   72 - HA    PHE   72   2.86 +/- 0.20  99.272% * 97.5297% (0.66   4.61  83.76) =  99.997%  kept
          HB2   ASP-  44 - HA    PHE   72   7.06 +/- 0.31   0.502% *  0.4614% (0.72   0.02   0.02) =   0.002%
          QG    GLU-  15 - HA    PHE   72   9.22 +/- 1.44   0.186% *  0.4835% (0.76   0.02   0.02) =   0.001%
          QG    GLU-  14 - HA    PHE   72  12.83 +/- 1.28   0.018% *  0.4503% (0.71   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    PHE   72  13.95 +/- 0.73   0.008% *  0.2187% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    PHE   72  13.10 +/- 0.48   0.011% *  0.0753% (0.12   0.02   0.02) =   0.000%
          QB    MET   11 - HA    PHE   72  19.38 +/- 1.60   0.001% *  0.3906% (0.61   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    PHE   72  19.66 +/- 0.75   0.001% *  0.3906% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (5.27, 2.83, 40.30 ppm):
    1 chemical-shift based assignment, quality = 0.638, support = 3.72, residual support = 83.8:
    * O T HA    PHE   72 - HB2   PHE   72   2.86 +/- 0.20 100.000% *100.0000% (0.64   3.72  83.76) = 100.000%  kept
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (2.83, 2.83, 40.30 ppm):
    1 diagonal assignment:
    *     HB2   PHE   72 - HB2   PHE   72  (0.70)  kept
 
    Peak 823 (2.28, 2.83, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.725, support = 3.59, residual support = 83.8:
    * O T HB3   PHE   72 - HB2   PHE   72   1.75 +/- 0.00  99.934% * 96.8503% (0.72   3.59  83.76) = 100.000%  kept
          HB2   ASP-  44 - HB2   PHE   72   6.75 +/- 1.05   0.049% *  0.5883% (0.79   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   PHE   72   8.31 +/- 1.32   0.014% *  0.6164% (0.83   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   PHE   72  11.46 +/- 1.38   0.002% *  0.5741% (0.77   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   PHE   72  13.51 +/- 0.75   0.001% *  0.2788% (0.37   0.02   0.02) =   0.000%
          QB    MET   11 - HB2   PHE   72  18.46 +/- 1.54   0.000% *  0.4980% (0.67   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   PHE   72  14.11 +/- 0.66   0.000% *  0.0960% (0.13   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   PHE   72  19.99 +/- 0.90   0.000% *  0.4980% (0.67   0.02   0.02) =   0.000%
    Distance limit 2.72 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 = 83.8:
    * O T HA    PHE   72 - HB3   PHE   72   2.86 +/- 0.20 100.000% *100.0000% (0.66   4.61  83.76) = 100.000%  kept
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.83, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.725, support = 3.59, residual support = 83.8:
    * O T HB2   PHE   72 - HB3   PHE   72   1.75 +/- 0.00  99.371% * 99.2708% (0.72   3.59  83.76) =  99.997%  kept
          HA    ALA   64 - HB3   PHE   72   4.33 +/- 0.54   0.627% *  0.4807% (0.63   0.02  40.29) =   0.003%
          HB3   ASN   69 - HB3   PHE   72  11.44 +/- 0.70   0.001% *  0.2485% (0.33   0.02   0.02) =   0.000%
    Distance limit 2.83 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 = 162.7:
    * O T HB2   LEU   73 - HA    LEU   73   2.96 +/- 0.08  99.943% * 97.6842% (1.00   5.00 162.74) = 100.000%  kept
          QD    LYS+ 106 - HA    LEU   73  13.29 +/- 0.87   0.013% *  0.3696% (0.95   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    LEU   73  13.80 +/- 0.54   0.010% *  0.3607% (0.92   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    LEU   73  12.83 +/- 0.31   0.015% *  0.1206% (0.31   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU   73  16.04 +/- 0.87   0.004% *  0.3771% (0.97   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU   73  15.97 +/- 0.79   0.004% *  0.2370% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LEU   73  14.87 +/- 0.82   0.007% *  0.0870% (0.22   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU   73  17.96 +/- 0.83   0.002% *  0.1606% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LEU   73  20.72 +/- 0.45   0.001% *  0.2528% (0.65   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU   73  22.34 +/- 0.74   0.001% *  0.3504% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 829 (1.38, 5.57, 52.40 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 162.7:
    * O T HB3   LEU   73 - HA    LEU   73   2.31 +/- 0.07  98.137% * 96.7713% (1.00   5.00 162.74) =  99.998%  kept
          HB3   LYS+  74 - HA    LEU   73   4.59 +/- 0.22   1.698% *  0.0678% (0.18   0.02  45.45) =   0.001%
          HB    VAL   42 - HA    LEU   73   7.27 +/- 0.67   0.121% *  0.3837% (0.99   0.02   3.07) =   0.000%
          HG3   LYS+  33 - HA    LEU   73  10.46 +/- 0.58   0.012% *  0.3736% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   73  12.15 +/- 0.59   0.005% *  0.3837% (0.99   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LEU   73  11.10 +/- 0.41   0.008% *  0.1453% (0.38   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   73  11.02 +/- 1.14   0.010% *  0.0965% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   73  14.46 +/- 0.94   0.002% *  0.3573% (0.92   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   73  13.09 +/- 0.25   0.003% *  0.1320% (0.34   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   73  15.59 +/- 1.74   0.001% *  0.2504% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   73  14.29 +/- 0.94   0.002% *  0.1453% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LEU   73  19.81 +/- 0.73   0.000% *  0.3862% (1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LEU   73  21.07 +/- 0.59   0.000% *  0.3794% (0.98   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LEU   73  18.97 +/- 0.85   0.000% *  0.0597% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   73  19.94 +/- 0.61   0.000% *  0.0678% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 162.7:
    *   T QD1   LEU   73 - HA    LEU   73   3.79 +/- 0.16  98.173% * 98.4471% (1.00   5.00 162.74) =  99.994%  kept
          QD2   LEU   80 - HA    LEU   73   8.49 +/- 0.25   0.798% *  0.3153% (0.80   0.02   0.02) =   0.003%
        T QD1   LEU   63 - HA    LEU   73   9.30 +/- 0.46   0.512% *  0.3938% (1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HA    LEU   73  10.77 +/- 0.46   0.209% *  0.2229% (0.57   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HA    LEU   73  12.89 +/- 0.40   0.066% *  0.2229% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU   73  13.87 +/- 0.62   0.045% *  0.3289% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   73  10.70 +/- 0.31   0.197% *  0.0690% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 831 (0.78, 5.57, 52.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.91, residual support = 162.7:
    *   T QD2   LEU   73 - HA    LEU   73   2.41 +/- 0.71  96.766% * 99.0177% (1.00   5.91 162.74) =  99.997%  kept
          QG1   VAL   43 - HA    LEU   73   4.98 +/- 0.72   2.992% *  0.0932% (0.28   0.02  10.58) =   0.003%
          QG1   VAL   41 - HA    LEU   73   8.13 +/- 0.35   0.161% *  0.1503% (0.45   0.02   0.62) =   0.000%
          HG    LEU   31 - HA    LEU   73   9.07 +/- 0.50   0.072% *  0.3236% (0.97   0.02   3.24) =   0.000%
          QD1   ILE   56 - HA    LEU   73  13.67 +/- 0.28   0.008% *  0.3007% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LEU   73  18.74 +/- 0.47   0.001% *  0.1144% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 7 structures by 0.14 A, kept.
 
    Peak 832 (5.57, 1.70, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 162.7:
    * O T HA    LEU   73 - HB2   LEU   73   2.96 +/- 0.08 100.000% *100.0000% (1.00   5.00 162.74) = 100.000%  kept
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 833 (1.70, 1.70, 46.21 ppm):
    1 diagonal assignment:
    *     HB2   LEU   73 - HB2   LEU   73  (1.00)  kept
 
    Peak 834 (1.38, 1.70, 46.21 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 162.7:
    * O T HB3   LEU   73 - HB2   LEU   73   1.75 +/- 0.00  99.886% * 96.7713% (1.00   5.00 162.74) = 100.000%  kept
          HB    VAL   42 - HB2   LEU   73   7.06 +/- 0.58   0.027% *  0.3837% (0.99   0.02   3.07) =   0.000%
          HB3   LYS+  74 - HB2   LEU   73   6.00 +/- 0.39   0.068% *  0.0678% (0.18   0.02  45.45) =   0.000%
        T HG3   LYS+  33 - HB2   LEU   73  10.45 +/- 0.56   0.002% *  0.3736% (0.97   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LEU   73   8.91 +/- 1.26   0.008% *  0.0965% (0.25   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   LEU   73   9.18 +/- 0.52   0.005% *  0.1453% (0.38   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   LEU   73  12.34 +/- 0.98   0.001% *  0.3573% (0.92   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LEU   73  11.77 +/- 0.20   0.001% *  0.1320% (0.34   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   LEU   73  14.40 +/- 0.45   0.000% *  0.3837% (0.99   0.02   0.02) =   0.000%
        T HB3   PRO   93 - HB2   LEU   73  13.55 +/- 0.84   0.001% *  0.1453% (0.38   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   LEU   73  17.74 +/- 0.81   0.000% *  0.3862% (1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   LEU   73  17.61 +/- 1.95   0.000% *  0.2504% (0.65   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   LEU   73  20.87 +/- 0.36   0.000% *  0.3794% (0.98   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   LEU   73  18.04 +/- 0.98   0.000% *  0.0597% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LEU   73  19.78 +/- 0.71   0.000% *  0.0678% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 162.7:
    * O T QD1   LEU   73 - HB2   LEU   73   2.52 +/- 0.15  99.685% * 98.4470% (1.00   5.00 162.74) =  99.999%  kept
          QD2   LEU   80 - HB2   LEU   73   7.19 +/- 0.28   0.188% *  0.3153% (0.80   0.02   0.02) =   0.001%
        T QD1   LEU   63 - HB2   LEU   73   9.35 +/- 0.39   0.042% *  0.3938% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   73   8.83 +/- 0.21   0.057% *  0.0690% (0.18   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   73  11.03 +/- 0.46   0.015% *  0.2230% (0.57   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   73  12.02 +/- 0.51   0.010% *  0.2230% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU   73  13.93 +/- 0.60   0.004% *  0.3289% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 836 (0.78, 1.70, 46.21 ppm):
    6 chemical-shift based assignments, quality = 0.842, support = 5.25, residual support = 129.4:
    * O T QD2   LEU   73 - HB2   LEU   73   2.90 +/- 0.37  32.698% * 87.2644% (1.00   5.91 162.74) =  78.070%  kept
          QG1   VAL   43 - HB2   LEU   73   2.62 +/- 1.02  67.057% * 11.9520% (0.28   2.91  10.58) =  21.929%  kept
          HG    LEU   31 - HB2   LEU   73   7.19 +/- 0.53   0.132% *  0.2852% (0.97   0.02   3.24) =   0.001%
          QG1   VAL   41 - HB2   LEU   73   6.84 +/- 0.57   0.111% *  0.1325% (0.45   0.02   0.62) =   0.000%
        T QD1   ILE   56 - HB2   LEU   73  13.50 +/- 0.27   0.002% *  0.2650% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB2   LEU   73  17.75 +/- 0.72   0.000% *  0.1008% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 837 (5.57, 1.38, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 162.7:
    * O T HA    LEU   73 - HB3   LEU   73   2.31 +/- 0.07 100.000% *100.0000% (1.00   5.00 162.74) = 100.000%  kept
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 838 (1.70, 1.38, 46.21 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 162.7:
    * O T HB2   LEU   73 - HB3   LEU   73   1.75 +/- 0.00  99.997% * 97.6842% (1.00   5.00 162.74) = 100.000%  kept
          QD    LYS+ 106 - HB3   LEU   73  12.60 +/- 0.89   0.001% *  0.3696% (0.95   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB3   LEU   73  13.91 +/- 0.55   0.000% *  0.3607% (0.92   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU   73  15.62 +/- 1.25   0.000% *  0.3771% (0.97   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB3   LEU   73  13.58 +/- 0.27   0.000% *  0.1206% (0.31   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU   73  16.30 +/- 0.70   0.000% *  0.2370% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   LEU   73  14.69 +/- 0.73   0.000% *  0.0870% (0.22   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB3   LEU   73  17.04 +/- 0.90   0.000% *  0.1606% (0.41   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU   73  22.80 +/- 0.67   0.000% *  0.3504% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LEU   73  21.97 +/- 0.50   0.000% *  0.2528% (0.65   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 839 (1.38, 1.38, 46.21 ppm):
    1 diagonal assignment:
    *     HB3   LEU   73 - HB3   LEU   73  (1.00)  kept
 
    Peak 840 (0.58, 1.38, 46.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.9, residual support = 162.7:
    * O T QD1   LEU   73 - HB3   LEU   73   2.17 +/- 0.12  99.866% * 98.4149% (1.00   4.90 162.74) = 100.000%  kept
        T QD2   LEU   80 - HB3   LEU   73   6.92 +/- 0.38   0.097% *  0.3219% (0.80   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HB3   LEU   73  10.33 +/- 0.41   0.010% *  0.4019% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   73   9.03 +/- 0.50   0.019% *  0.0704% (0.18   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   LEU   73  11.89 +/- 0.49   0.004% *  0.2276% (0.57   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   73  12.98 +/- 0.38   0.002% *  0.2276% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   73  14.91 +/- 0.60   0.001% *  0.3357% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 841 (0.78, 1.38, 46.21 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.9, residual support = 162.7:
    * O T QD2   LEU   73 - HB3   LEU   73   2.83 +/- 0.28  83.957% * 99.0177% (1.00   5.91 162.74) =  99.981%  kept
        T QG1   VAL   43 - HB3   LEU   73   3.98 +/- 0.90  15.366% *  0.0932% (0.28   0.02  10.58) =   0.017%
          HG    LEU   31 - HB3   LEU   73   7.01 +/- 0.38   0.385% *  0.3236% (0.97   0.02   3.24) =   0.001%
          QG1   VAL   41 - HB3   LEU   73   7.46 +/- 0.34   0.285% *  0.1503% (0.45   0.02   0.62) =   0.001%
          QD1   ILE   56 - HB3   LEU   73  14.47 +/- 0.25   0.005% *  0.3007% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB3   LEU   73  19.20 +/- 0.50   0.001% *  0.1144% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 162.7:
    *   T HA    LEU   73 - QD1   LEU   73   3.79 +/- 0.16  99.414% * 99.5046% (1.00   5.00 162.74) =  99.998%  kept
        T HA    LEU   73 - QD1   LEU   63   9.30 +/- 0.46   0.519% *  0.3980% (1.00   0.02   0.02) =   0.002%
        T HA    LEU   73 - QD1   LEU  104  12.89 +/- 0.40   0.067% *  0.0974% (0.24   0.02   0.02) =   0.000%
    Distance limit 5.00 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 = 0.751, support = 3.98, residual support = 117.7:
    * O T HB2   LEU   73 - QD1   LEU   73   2.52 +/- 0.15  11.467% * 86.5069% (1.00   5.00 162.74) =  68.613%  kept
          QD    LYS+  99 - QD1   LEU  104   1.90 +/- 0.36  59.360% *  6.7735% (0.23   1.73  19.31) =  27.810%  kept
        T HB3   LYS+  99 - QD1   LEU  104   2.14 +/- 0.25  29.015% *  1.7820% (0.05   1.89  19.31) =   3.576%  kept
          QG1   ILE   56 - QD1   LEU   63   5.62 +/- 0.34   0.086% *  0.1068% (0.31   0.02   0.02) =   0.001%
          QD    LYS+ 106 - QD1   LEU   63   8.84 +/- 0.40   0.006% *  0.3273% (0.95   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   LEU   63   9.35 +/- 0.39   0.004% *  0.3460% (1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   63   9.22 +/- 0.44   0.005% *  0.3194% (0.92   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   63   8.66 +/- 0.52   0.006% *  0.2239% (0.65   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU   73   9.99 +/- 0.87   0.003% *  0.3273% (0.95   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  104   7.42 +/- 0.61   0.024% *  0.0348% (0.10   0.02   0.21) =   0.000%
          QD    LYS+  99 - QD1   LEU   73  10.46 +/- 0.56   0.002% *  0.3194% (0.92   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  104   8.69 +/- 0.33   0.007% *  0.0801% (0.23   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   63  11.64 +/- 0.49   0.001% *  0.3103% (0.90   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   63  11.20 +/- 0.51   0.001% *  0.2099% (0.61   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   63  12.22 +/- 0.52   0.001% *  0.3340% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   63  10.32 +/- 0.73   0.003% *  0.0770% (0.22   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   73  13.92 +/- 1.07   0.000% *  0.3340% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   73  10.82 +/- 0.57   0.002% *  0.0770% (0.22   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU  104  10.22 +/- 0.54   0.002% *  0.0548% (0.16   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   73  12.65 +/- 0.67   0.001% *  0.1423% (0.41   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU   73  12.46 +/- 0.41   0.001% *  0.1068% (0.31   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   LEU  104  12.02 +/- 0.51   0.001% *  0.0847% (0.24   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   63  13.73 +/- 0.78   0.001% *  0.1423% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   73  15.06 +/- 0.60   0.000% *  0.2099% (0.61   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU  104  13.01 +/- 0.36   0.001% *  0.0261% (0.08   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   73  18.51 +/- 0.50   0.000% *  0.2239% (0.65   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   73  19.84 +/- 0.79   0.000% *  0.3103% (0.90   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  104  17.49 +/- 0.43   0.000% *  0.0817% (0.24   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  104  17.37 +/- 0.68   0.000% *  0.0760% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  104  18.58 +/- 0.42   0.000% *  0.0514% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 844 (1.38, 0.58, 26.34 ppm):
    45 chemical-shift based assignments, quality = 1.0, support = 4.9, residual support = 162.7:
    * O T HB3   LEU   73 - QD1   LEU   73   2.17 +/- 0.12  97.032% * 92.4594% (1.00   4.90 162.74) =  99.992%  kept
          HB    VAL   42 - QD1   LEU   63   4.73 +/- 0.48   1.225% *  0.3743% (0.99   0.02   0.02) =   0.005%
          HG3   LYS+  33 - QD1   LEU   73   6.35 +/- 0.54   0.185% *  0.3644% (0.97   0.02   0.02) =   0.001%
          HB    VAL   42 - QD1   LEU   73   6.88 +/- 0.36   0.115% *  0.3743% (0.99   0.02   3.07) =   0.000%
          QB    LEU   98 - QD1   LEU   73   7.05 +/- 0.54   0.105% *  0.1417% (0.38   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU  104   5.58 +/- 0.11   0.357% *  0.0347% (0.09   0.02   7.82) =   0.000%
          HG    LEU   98 - QD1   LEU   73   7.04 +/- 0.86   0.124% *  0.0942% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   8.50 +/- 0.46   0.030% *  0.3486% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   63   8.75 +/- 0.44   0.026% *  0.3743% (0.99   0.02   1.19) =   0.000%
          HB3   LYS+  74 - QD1   LEU   73   6.84 +/- 0.11   0.104% *  0.0661% (0.18   0.02  45.45) =   0.000%
          HG3   LYS+ 102 - QD1   LEU  104   7.52 +/- 0.71   0.074% *  0.0922% (0.24   0.02   0.21) =   0.000%
          HB    VAL   42 - QD1   LEU  104   7.35 +/- 0.57   0.075% *  0.0916% (0.24   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD1   LEU   63  10.33 +/- 0.41   0.009% *  0.3776% (1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU  104   6.47 +/- 0.28   0.151% *  0.0230% (0.06   0.02   7.82) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   63   7.66 +/- 0.76   0.057% *  0.0583% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   8.16 +/- 0.17   0.037% *  0.0853% (0.23   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   8.99 +/- 0.45   0.022% *  0.1417% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   63  10.58 +/- 0.46   0.008% *  0.3701% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  11.10 +/- 0.91   0.007% *  0.3486% (0.92   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU   63   9.41 +/- 0.33   0.016% *  0.1417% (0.38   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU  104   7.56 +/- 1.21   0.138% *  0.0143% (0.04   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63   9.44 +/- 0.86   0.017% *  0.0942% (0.25   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73  10.59 +/- 0.20   0.008% *  0.1288% (0.34   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63   9.62 +/- 0.45   0.014% *  0.0661% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   73  13.33 +/- 0.47   0.002% *  0.3743% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   63  10.21 +/- 0.56   0.010% *  0.0661% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   73  13.93 +/- 0.84   0.002% *  0.3768% (1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104   8.74 +/- 0.96   0.033% *  0.0162% (0.04   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   73  14.23 +/- 1.61   0.002% *  0.2443% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   63  15.22 +/- 0.61   0.001% *  0.3768% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   63  15.25 +/- 0.88   0.001% *  0.3644% (0.97   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  13.60 +/- 0.77   0.002% *  0.1417% (0.38   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD1   LEU  104  12.98 +/- 0.38   0.002% *  0.0924% (0.24   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU  104  13.19 +/- 1.26   0.002% *  0.0892% (0.24   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  14.85 +/- 0.25   0.001% *  0.1288% (0.34   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   63  16.81 +/- 1.10   0.001% *  0.2443% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU  104  14.96 +/- 0.56   0.001% *  0.0916% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   73  19.68 +/- 0.54   0.000% *  0.3701% (0.98   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   73  16.09 +/- 0.98   0.001% *  0.0583% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  17.19 +/- 0.76   0.000% *  0.0661% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU  104  18.43 +/- 0.34   0.000% *  0.0906% (0.24   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU  104  18.23 +/- 1.55   0.000% *  0.0598% (0.16   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  16.32 +/- 0.46   0.001% *  0.0347% (0.09   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU  104  15.83 +/- 0.49   0.001% *  0.0162% (0.04   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  18.08 +/- 0.29   0.000% *  0.0315% (0.08   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 845 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
    *     QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
          QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 846 (0.78, 0.58, 26.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.9, residual support = 162.7:
    * O T QD2   LEU   73 - QD1   LEU   73   1.97 +/- 0.04  78.735% * 97.4197% (1.00   5.91 162.74) =  99.969%  kept
          QG1   VAL   43 - QD1   LEU   73   2.72 +/- 0.56  18.571% *  0.0917% (0.28   0.02  10.58) =   0.022%
          HG    LEU   31 - QD1   LEU   73   4.04 +/- 0.45   1.763% *  0.3184% (0.97   0.02   3.24) =   0.007%
        T QG1   VAL   41 - QD1   LEU   73   4.60 +/- 0.32   0.518% *  0.1479% (0.45   0.02   0.62) =   0.001%
          QD1   ILE   56 - QD1   LEU   63   6.13 +/- 0.47   0.096% *  0.2959% (0.90   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD1   LEU   63   7.76 +/- 0.95   0.026% *  0.3299% (1.00   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU  104   5.75 +/- 0.35   0.138% *  0.0362% (0.11   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.19 +/- 0.35   0.034% *  0.0917% (0.28   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   63   7.69 +/- 0.54   0.025% *  0.1125% (0.34   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63   8.73 +/- 0.45   0.011% *  0.1479% (0.45   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU  104   6.74 +/- 0.64   0.057% *  0.0275% (0.08   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD1   LEU  104   9.26 +/- 0.75   0.008% *  0.0808% (0.24   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   8.19 +/- 0.30   0.016% *  0.0225% (0.07   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU   73  13.16 +/- 0.38   0.001% *  0.2959% (0.90   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU   63  14.40 +/- 0.92   0.001% *  0.3184% (0.97   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU  104  13.55 +/- 1.10   0.001% *  0.0779% (0.24   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU  104  13.11 +/- 0.38   0.001% *  0.0724% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   73  15.74 +/- 0.48   0.000% *  0.1125% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 847 (5.57, 0.78, 24.39 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.91, residual support = 162.7:
    *   T HA    LEU   73 - QD2   LEU   73   2.41 +/- 0.71  99.999% * 99.8846% (1.00   5.91 162.74) = 100.000%  kept
        T HA    LEU   73 - HG3   LYS+ 121  18.74 +/- 0.47   0.001% *  0.1154% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.07 A, kept.
 
    Peak 848 (1.70, 0.78, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.91, residual support = 162.7:
    * O T HB2   LEU   73 - QD2   LEU   73   2.90 +/- 0.37  99.234% * 97.2695% (1.00   5.91 162.74) =  99.999%  kept
          QD    LYS+  99 - QD2   LEU   73   9.77 +/- 0.83   0.072% *  0.3041% (0.92   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU   73  10.31 +/- 1.53   0.053% *  0.3116% (0.95   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HG3   LYS+ 121   8.35 +/- 0.35   0.226% *  0.0727% (0.22   0.02   2.34) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 121   9.68 +/- 0.61   0.099% *  0.1037% (0.31   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 121   9.86 +/- 0.46   0.088% *  0.1063% (0.32   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD2   LEU   73  10.41 +/- 0.97   0.052% *  0.0733% (0.22   0.02   0.02) =   0.000%
        T QG1   ILE   56 - QD2   LEU   73  11.45 +/- 1.04   0.027% *  0.1017% (0.31   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU   73  14.12 +/- 1.29   0.008% *  0.3179% (0.97   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  13.23 +/- 0.86   0.012% *  0.1354% (0.41   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+ 121  10.66 +/- 0.72   0.055% *  0.0250% (0.08   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.58 +/- 1.18   0.007% *  0.1998% (0.61   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  12.72 +/- 1.39   0.024% *  0.0462% (0.14   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG3   LYS+ 121  14.17 +/- 1.10   0.010% *  0.1007% (0.31   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+ 121  12.12 +/- 0.53   0.023% *  0.0347% (0.11   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  16.73 +/- 0.78   0.003% *  0.2131% (0.65   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU   73  19.04 +/- 1.51   0.001% *  0.2954% (0.90   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 121  17.75 +/- 0.72   0.003% *  0.1123% (0.34   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 121  18.41 +/- 0.66   0.002% *  0.1084% (0.33   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  19.03 +/- 0.48   0.002% *  0.0681% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.933, support = 5.91, residual support = 173.4:
    * O T HB3   LEU   73 - QD2   LEU   73   2.83 +/- 0.28  39.800% * 91.5643% (1.00   5.91 162.74) =  92.955%  kept
      O T HD3   LYS+ 121 - HG3   LYS+ 121   2.62 +/- 0.25  56.449% *  4.8777% (0.05   5.98 314.74) =   7.023%  kept
          HB    VAL   42 - QD2   LEU   73   5.15 +/- 0.90   2.345% *  0.3074% (0.99   0.02   3.07) =   0.018%
          HG3   LYS+  33 - QD2   LEU   73   6.99 +/- 1.00   0.195% *  0.2993% (0.97   0.02   0.02) =   0.001%
          HG    LEU   98 - QD2   LEU   73   7.40 +/- 1.29   0.314% *  0.0773% (0.25   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD2   LEU   73   6.03 +/- 0.32   0.402% *  0.0543% (0.18   0.02  45.45) =   0.001%
          QB    LEU   98 - QD2   LEU   73   7.52 +/- 1.11   0.187% *  0.1164% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD2   LEU   73  11.10 +/- 1.67   0.019% *  0.2863% (0.92   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 121   7.02 +/- 0.83   0.189% *  0.0185% (0.06   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 121   8.98 +/- 0.53   0.035% *  0.0976% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   73  11.00 +/- 0.53   0.010% *  0.3074% (0.99   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   73  11.71 +/- 0.42   0.008% *  0.1058% (0.34   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   73  13.18 +/- 1.17   0.004% *  0.2006% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   73  14.48 +/- 1.23   0.003% *  0.3094% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   73  12.97 +/- 1.33   0.006% *  0.1164% (0.38   0.02   0.02) =   0.000%
          HB    VAL   42 - HG3   LYS+ 121  11.83 +/- 0.62   0.007% *  0.1048% (0.34   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 121  11.23 +/- 0.62   0.009% *  0.0397% (0.13   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 121  14.22 +/- 1.38   0.003% *  0.1055% (0.34   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   73  18.44 +/- 1.23   0.001% *  0.3040% (0.98   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 121  12.39 +/- 0.77   0.005% *  0.0264% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG3   LYS+ 121  16.04 +/- 0.60   0.001% *  0.1037% (0.33   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - QD2   LEU   73  15.04 +/- 1.53   0.002% *  0.0478% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   73  15.90 +/- 1.00   0.001% *  0.0543% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 121  18.74 +/- 0.52   0.000% *  0.1048% (0.34   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 121  16.39 +/- 0.47   0.001% *  0.0397% (0.13   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HG3   LYS+ 121  19.20 +/- 0.50   0.000% *  0.1057% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 121  22.68 +/- 1.44   0.000% *  0.1021% (0.33   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 121  22.25 +/- 0.40   0.000% *  0.0361% (0.12   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 121  25.82 +/- 1.69   0.000% *  0.0684% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG3   LYS+ 121  20.74 +/- 0.64   0.000% *  0.0185% (0.06   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 850 (0.58, 0.78, 24.39 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.91, residual support = 162.7:
    * O T QD1   LEU   73 - QD2   LEU   73   1.97 +/- 0.04  99.727% * 98.1292% (1.00   5.91 162.74) = 100.000%  kept
        T QD1   LEU   63 - QD2   LEU   73   7.76 +/- 0.95   0.038% *  0.3323% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU   73   7.47 +/- 0.24   0.034% *  0.2661% (0.80   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HG3   LYS+ 121   6.74 +/- 0.64   0.075% *  0.0642% (0.19   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HG3   LYS+ 121   7.69 +/- 0.54   0.031% *  0.1133% (0.34   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU   73   8.76 +/- 0.91   0.017% *  0.1882% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG3   LYS+ 121   7.29 +/- 0.33   0.040% *  0.0642% (0.19   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QD2   LEU   73   9.26 +/- 0.75   0.011% *  0.1882% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG3   LYS+ 121   8.87 +/- 0.50   0.013% *  0.0947% (0.28   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU   73   9.01 +/- 0.42   0.011% *  0.0582% (0.18   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU   73  11.94 +/- 0.95   0.002% *  0.2776% (0.84   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG3   LYS+ 121  15.74 +/- 0.48   0.000% *  0.1133% (0.34   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   LYS+ 121  20.58 +/- 0.47   0.000% *  0.0907% (0.27   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+ 121  20.11 +/- 0.79   0.000% *  0.0198% (0.06   0.02   0.02) =   0.000%
    Distance limit 2.53 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 = 175.6:
    * O T HB2   LYS+  74 - HA    LYS+  74   2.54 +/- 0.11  99.905% * 98.3581% (0.64   6.31 175.61) = 100.000%  kept
          QG2   THR   26 - HA    LYS+  74   8.72 +/- 0.25   0.064% *  0.2047% (0.42   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LYS+  74  12.92 +/- 0.52   0.006% *  0.1744% (0.36   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  74  14.55 +/- 0.52   0.003% *  0.3489% (0.72   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+  74  14.82 +/- 1.07   0.003% *  0.2673% (0.55   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  74  12.54 +/- 1.03   0.008% *  0.0681% (0.14   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+  74  13.91 +/- 0.88   0.004% *  0.0970% (0.20   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  74  13.28 +/- 0.77   0.005% *  0.0681% (0.14   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+  74  17.50 +/- 0.26   0.001% *  0.2673% (0.55   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LYS+  74  18.97 +/- 0.78   0.001% *  0.1460% (0.30   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 854 (1.24, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 175.6:
    * O T HG2   LYS+  74 - HA    LYS+  74   2.65 +/- 0.31  99.608% * 98.2807% (0.80   6.28 175.61) =  99.999%  kept
          HG13  ILE   19 - HA    LYS+  74   9.06 +/- 0.13   0.075% *  0.2889% (0.74   0.02   8.15) =   0.000%
          QG2   ILE   56 - HA    LYS+  74   7.44 +/- 0.37   0.250% *  0.0619% (0.16   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+  74  11.33 +/- 1.24   0.025% *  0.3122% (0.80   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  74  11.13 +/- 0.41   0.022% *  0.1898% (0.49   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    LYS+  74  12.78 +/- 0.65   0.009% *  0.1898% (0.49   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+  74  14.23 +/- 0.52   0.005% *  0.1403% (0.36   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+  74  17.31 +/- 1.17   0.002% *  0.3122% (0.80   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HA    LYS+  74  17.42 +/- 0.40   0.001% *  0.1174% (0.30   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    LYS+  74  20.35 +/- 1.52   0.001% *  0.1067% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 0.743, support = 0.0199, residual support = 160.3:
    * O T HG3   LYS+  74 - HA    LYS+  74   3.66 +/- 0.12  73.848% * 17.4302% (0.80   0.02 175.61) =  89.819%  kept
          HB    VAL   75 - HA    LYS+  74   4.48 +/- 0.49  25.511% *  5.3798% (0.25   0.02  27.08) =   9.577%  kept
          QD2   LEU   71 - HA    LYS+  74   9.51 +/- 0.43   0.265% * 11.9729% (0.55   0.02   0.02) =   0.221%
          QD1   LEU   67 - HA    LYS+  74  10.45 +/- 0.76   0.156% * 16.0901% (0.74   0.02   0.02) =   0.175%
          QD2   LEU   40 - HA    LYS+  74  10.87 +/- 0.34   0.110% * 15.6319% (0.72   0.02   0.02) =   0.120%
          QG2   ILE  103 - HA    LYS+  74  13.07 +/- 0.23   0.036% * 17.0851% (0.78   0.02   0.02) =   0.043%
          QD1   ILE  103 - HA    LYS+  74  12.49 +/- 0.31   0.048% *  9.8682% (0.45   0.02   0.02) =   0.033%
          QG2   ILE  119 - HA    LYS+  74  13.88 +/- 0.64   0.026% *  6.5418% (0.30   0.02   0.02) =   0.012%
    Distance limit 3.10 A violated in 18 structures by 0.39 A, eliminated.
    Peak unassigned.
 
    Peak 856 (1.64, 4.94, 55.14 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 5.91, residual support = 175.6:
    *   T HD2   LYS+  74 - HA    LYS+  74   2.58 +/- 0.62  99.750% * 98.3904% (0.80   5.91 175.61) =  99.999%  kept
          QB    ALA   57 - HA    LYS+  74   8.23 +/- 0.32   0.194% *  0.2887% (0.69   0.02   0.02) =   0.001%
          HB    VAL   83 - HA    LYS+  74  11.40 +/- 0.42   0.029% *  0.1620% (0.39   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LYS+  74  13.43 +/- 0.49   0.011% *  0.1885% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LYS+  74  13.70 +/- 1.05   0.010% *  0.1885% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  74  17.19 +/- 0.33   0.002% *  0.2019% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LYS+  74  19.60 +/- 0.57   0.001% *  0.2780% (0.67   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  74  19.35 +/- 1.44   0.002% *  0.1135% (0.27   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  74  21.60 +/- 0.47   0.001% *  0.1885% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 2 structures by 0.09 A, kept.
 
    Peak 857 (2.80, 4.94, 55.14 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.93, residual support = 175.6:
    *   T QE    LYS+  74 - HA    LYS+  74   2.84 +/- 0.31  98.965% * 99.0166% (0.80   4.93 175.61) =  99.998%  kept
          HB2   PHE   72 - HA    LYS+  74   6.61 +/- 0.70   0.932% *  0.1241% (0.25   0.02   0.02) =   0.001%
          QB    CYS   50 - HA    LYS+  74   9.86 +/- 0.65   0.077% *  0.4011% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  74  11.58 +/- 0.37   0.025% *  0.1509% (0.30   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    LYS+  74  17.80 +/- 0.27   0.002% *  0.3072% (0.61   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 2 structures by 0.12 A, kept.
 
    Peak 858 (4.94, 1.48, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 175.6:
    * O T HA    LYS+  74 - HB2   LYS+  74   2.54 +/- 0.11  99.987% * 99.6731% (0.64   6.31 175.61) = 100.000%  kept
          HA    THR   94 - HB2   LYS+  74  12.05 +/- 0.40   0.009% *  0.2391% (0.49   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   LYS+  74  13.97 +/- 0.53   0.004% *  0.0878% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 175.6:
    * O T HG2   LYS+  74 - HB2   LYS+  74   3.02 +/- 0.04  99.282% * 98.1566% (0.80   5.85 175.61) =  99.999%  kept
          HG13  ILE   19 - HB2   LYS+  74   7.93 +/- 0.43   0.321% *  0.3097% (0.74   0.02   8.15) =   0.001%
          QG2   ILE   56 - HB2   LYS+  74   8.06 +/- 0.51   0.297% *  0.0664% (0.16   0.02   0.02) =   0.000%
          HG    LEU   71 - HB2   LYS+  74  11.18 +/- 1.26   0.051% *  0.3348% (0.80   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  74  12.28 +/- 0.73   0.023% *  0.2035% (0.49   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  74  13.00 +/- 0.77   0.017% *  0.2035% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+  74  18.34 +/- 1.40   0.002% *  0.3348% (0.80   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+  74  16.27 +/- 0.70   0.004% *  0.1504% (0.36   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB2   LYS+  74  18.79 +/- 0.53   0.002% *  0.1259% (0.30   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   LYS+  74  21.14 +/- 1.67   0.001% *  0.1144% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.02 A, kept.
 
    Peak 861 (0.98, 1.48, 36.69 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 175.6:
    * O T HG3   LYS+  74 - HB2   LYS+  74   2.66 +/- 0.11  99.413% * 98.2356% (0.80   5.27 175.61) =  99.999%  kept
          HB    VAL   75 - HB2   LYS+  74   6.71 +/- 0.43   0.447% *  0.1150% (0.25   0.02  27.08) =   0.001%
          QD2   LEU   71 - HB2   LYS+  74   9.04 +/- 0.64   0.070% *  0.2559% (0.55   0.02   0.02) =   0.000%
        T QD1   LEU   67 - HB2   LYS+  74  10.49 +/- 1.22   0.044% *  0.3438% (0.74   0.02   0.02) =   0.000%
        T QD2   LEU   40 - HB2   LYS+  74  11.86 +/- 0.43   0.013% *  0.3340% (0.72   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LYS+  74  14.75 +/- 0.27   0.003% *  0.3651% (0.78   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LYS+  74  14.34 +/- 0.30   0.004% *  0.2109% (0.45   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  74  13.96 +/- 0.77   0.005% *  0.1398% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 175.6:
    * O T HD2   LYS+  74 - HB2   LYS+  74   2.57 +/- 0.45  99.744% * 98.4915% (0.80   6.31 175.61) =  99.999%  kept
          QB    ALA   57 - HB2   LYS+  74   7.61 +/- 0.46   0.223% *  0.2706% (0.69   0.02   0.02) =   0.001%
        T QD    LYS+  65 - HB2   LYS+  74  11.92 +/- 0.50   0.015% *  0.1766% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  33 - HB2   LYS+  74  13.62 +/- 1.16   0.008% *  0.1766% (0.45   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+  74  13.23 +/- 0.70   0.007% *  0.1519% (0.39   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HB2   LYS+  74  18.21 +/- 0.35   0.001% *  0.1892% (0.49   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   LYS+  74  21.02 +/- 0.66   0.000% *  0.2606% (0.67   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+  74  21.76 +/- 0.68   0.000% *  0.1766% (0.45   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+  74  20.17 +/- 1.65   0.001% *  0.1064% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 175.6:
    *   T QE    LYS+  74 - HB2   LYS+  74   2.56 +/- 0.63  98.807% * 98.9526% (0.80   4.62 175.61) =  99.998%  kept
          HB2   PHE   72 - HB2   LYS+  74   6.12 +/- 0.76   1.118% *  0.1322% (0.25   0.02   0.02) =   0.002%
          QB    CYS   50 - HB2   LYS+  74  10.22 +/- 0.81   0.046% *  0.4273% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+  74  12.08 +/- 0.74   0.026% *  0.1607% (0.30   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   LYS+  74  17.39 +/- 0.63   0.002% *  0.3273% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.66 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 = 175.6:
    * O T HA    LYS+  74 - HG2   LYS+  74   2.65 +/- 0.31  99.716% * 99.6026% (0.80   6.28 175.61) = 100.000%  kept
          HA    THR   94 - HG2   LYS+  74  10.89 +/- 0.55   0.022% *  0.2402% (0.61   0.02   0.02) =   0.000%
          HA    THR   94 - HG3   LYS+ 111   7.78 +/- 0.34   0.198% *  0.0257% (0.06   0.02   0.02) =   0.000%
          HA    MET   92 - HG2   LYS+  74  11.79 +/- 0.53   0.016% *  0.0882% (0.22   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+ 111   9.92 +/- 0.55   0.046% *  0.0094% (0.02   0.02   0.02) =   0.000%
        T HA    LYS+  74 - HG3   LYS+ 111  17.42 +/- 0.40   0.001% *  0.0339% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 175.6:
    * O T HB2   LYS+  74 - HG2   LYS+  74   3.02 +/- 0.04  99.211% * 98.0100% (0.80   5.85 175.61) = 100.000%  kept
          QG2   THR   26 - HG2   LYS+  74   9.25 +/- 0.41   0.126% *  0.2201% (0.53   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 111   8.49 +/- 0.55   0.214% *  0.0307% (0.07   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+  74  13.26 +/- 1.07   0.017% *  0.1876% (0.45   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 111   7.82 +/- 0.45   0.363% *  0.0078% (0.02   0.02   0.02) =   0.000%
          HG    LEU  115 - HG2   LYS+  74  15.21 +/- 1.16   0.007% *  0.2874% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+  74  16.91 +/- 0.98   0.003% *  0.3752% (0.90   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG2   LYS+  74  13.86 +/- 1.16   0.012% *  0.0733% (0.18   0.02   0.02) =   0.000%
          HG    LEU   67 - HG2   LYS+  74  15.62 +/- 1.50   0.006% *  0.1043% (0.25   0.02   0.02) =   0.000%
          HG    LEU   40 - HG2   LYS+  74  14.88 +/- 1.40   0.008% *  0.0733% (0.18   0.02   0.02) =   0.000%
          QB    ALA  120 - HG2   LYS+  74  18.54 +/- 0.87   0.002% *  0.2874% (0.69   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 111  13.31 +/- 0.30   0.014% *  0.0307% (0.07   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG2   LYS+  74  20.61 +/- 1.09   0.001% *  0.1570% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+ 111  14.57 +/- 1.53   0.010% *  0.0168% (0.04   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG3   LYS+ 111  18.79 +/- 0.53   0.002% *  0.0358% (0.09   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 111  22.13 +/- 0.35   0.001% *  0.0401% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 111  21.57 +/- 0.70   0.001% *  0.0200% (0.05   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 111  22.92 +/- 0.45   0.001% *  0.0235% (0.06   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 111  21.03 +/- 1.41   0.001% *  0.0111% (0.03   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 111  20.28 +/- 0.41   0.001% *  0.0078% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.12 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 = 175.6:
    * O T HG3   LYS+  74 - HG2   LYS+  74   1.75 +/- 0.00  99.874% * 97.6970% (1.00   4.54 175.61) = 100.000%  kept
          HB    VAL   75 - HG2   LYS+  74   5.52 +/- 0.57   0.119% *  0.1329% (0.31   0.02  27.08) =   0.000%
          QD1   LEU   67 - HG2   LYS+  74  11.96 +/- 1.25   0.001% *  0.3973% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG2   LYS+  74  11.03 +/- 0.63   0.002% *  0.2957% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG2   LYS+  74  12.86 +/- 0.75   0.001% *  0.3860% (0.90   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG2   LYS+  74  14.80 +/- 0.55   0.000% *  0.4219% (0.98   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG2   LYS+  74  14.21 +/- 0.56   0.000% *  0.2437% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   LYS+  74  14.71 +/- 1.06   0.000% *  0.1615% (0.38   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG3   LYS+ 111  13.41 +/- 0.34   0.001% *  0.0451% (0.10   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   LYS+ 111  12.77 +/- 0.25   0.001% *  0.0173% (0.04   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG3   LYS+ 111  14.51 +/- 0.70   0.000% *  0.0260% (0.06   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG3   LYS+ 111  16.19 +/- 1.02   0.000% *  0.0425% (0.10   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG3   LYS+ 111  16.23 +/- 0.28   0.000% *  0.0413% (0.10   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG3   LYS+ 111  18.32 +/- 0.50   0.000% *  0.0460% (0.11   0.02   0.02) =   0.000%
          HB    VAL   75 - HG3   LYS+ 111  17.07 +/- 0.83   0.000% *  0.0142% (0.03   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG3   LYS+ 111  21.76 +/- 0.41   0.000% *  0.0316% (0.07   0.02   0.02) =   0.000%
    Distance limit 2.67 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 = 0.954, support = 5.54, residual support = 182.5:
    * O T HD2   LYS+  74 - HG2   LYS+  74   2.68 +/- 0.22  62.092% * 90.3906% (1.00   5.54 175.61) =  94.986%  kept
      O T HD3   LYS+ 111 - HG3   LYS+ 111   2.92 +/- 0.02  37.691% *  7.8581% (0.09   5.40 313.66) =   5.013%  kept
          QB    ALA   57 - HG2   LYS+  74   7.20 +/- 0.38   0.187% *  0.2829% (0.87   0.02   0.02) =   0.001%
          HB    VAL   83 - HG2   LYS+  74  11.81 +/- 0.73   0.009% *  0.1587% (0.49   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  13.65 +/- 0.92   0.004% *  0.1846% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  15.28 +/- 1.11   0.002% *  0.1846% (0.57   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  11.97 +/- 0.45   0.008% *  0.0302% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.80 +/- 1.08   0.001% *  0.1978% (0.61   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  19.90 +/- 0.78   0.000% *  0.2724% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  14.27 +/- 0.62   0.003% *  0.0211% (0.06   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  16.55 +/- 0.79   0.001% *  0.0349% (0.11   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  21.53 +/- 1.56   0.000% *  0.1112% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  23.01 +/- 1.15   0.000% *  0.1846% (0.57   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  20.42 +/- 0.30   0.000% *  0.0197% (0.06   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  21.03 +/- 0.44   0.000% *  0.0197% (0.06   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.31 +/- 0.99   0.000% *  0.0170% (0.05   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  27.40 +/- 1.23   0.000% *  0.0197% (0.06   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  27.48 +/- 0.92   0.000% *  0.0119% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 175.6:
    * O T QE    LYS+  74 - HG2   LYS+  74   2.84 +/- 0.62  99.149% * 98.7753% (1.00   4.54 175.61) =  99.998%  kept
          QB    CYS   50 - HG2   LYS+  74   8.28 +/- 0.97   0.431% *  0.4342% (1.00   0.02   0.02) =   0.002%
          HB2   PHE   72 - HG2   LYS+  74   8.35 +/- 1.01   0.248% *  0.1343% (0.31   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+  74   9.74 +/- 0.97   0.133% *  0.1633% (0.38   0.02   0.02) =   0.000%
          QB    CYS   50 - HG3   LYS+ 111  12.02 +/- 0.98   0.028% *  0.0464% (0.11   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG2   LYS+  74  19.70 +/- 0.89   0.001% *  0.3326% (0.76   0.02   0.02) =   0.000%
        T QE    LYS+  74 - HG3   LYS+ 111  14.65 +/- 0.97   0.007% *  0.0465% (0.11   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 111  19.70 +/- 0.97   0.001% *  0.0175% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+ 111  20.03 +/- 0.97   0.001% *  0.0144% (0.03   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+ 111  27.85 +/- 0.64   0.000% *  0.0355% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.65 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 = 175.6:
    * O T HA    LYS+  74 - HG3   LYS+  74   3.66 +/- 0.12  99.863% * 99.6297% (0.80   5.57 175.61) = 100.000%  kept
          HA    THR   94 - HG3   LYS+  74  12.01 +/- 0.38   0.082% *  0.2709% (0.61   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+  74  12.94 +/- 0.51   0.055% *  0.0994% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 175.6:
    * O T HB2   LYS+  74 - HG3   LYS+  74   2.66 +/- 0.11  99.915% * 98.0409% (0.80   5.27 175.61) = 100.000%  kept
          QG2   THR   26 - HG3   LYS+  74   9.43 +/- 0.35   0.053% *  0.2442% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+  74  12.19 +/- 1.06   0.015% *  0.2081% (0.45   0.02   0.02) =   0.000%
        T HG    LEU  115 - HG3   LYS+  74  15.41 +/- 1.10   0.003% *  0.3189% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+  74  17.39 +/- 0.82   0.001% *  0.4163% (0.90   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  74  14.26 +/- 0.88   0.005% *  0.0813% (0.18   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  74  15.47 +/- 1.47   0.003% *  0.1158% (0.25   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  74  18.69 +/- 0.69   0.001% *  0.3189% (0.69   0.02   0.02) =   0.000%
        T HG    LEU   40 - HG3   LYS+  74  15.41 +/- 1.35   0.003% *  0.0813% (0.18   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+  74  21.25 +/- 0.96   0.000% *  0.1742% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 175.6:
    * O T HG2   LYS+  74 - HG3   LYS+  74   1.75 +/- 0.00  99.976% * 97.6365% (1.00   4.54 175.61) = 100.000%  kept
          QG2   ILE   56 - HG3   LYS+  74   7.52 +/- 0.40   0.017% *  0.0851% (0.20   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG3   LYS+  74   9.79 +/- 0.58   0.004% *  0.3971% (0.92   0.02   8.15) =   0.000%
          QB    ALA   91 - HG3   LYS+  74  11.15 +/- 1.23   0.002% *  0.2609% (0.61   0.02   0.02) =   0.000%
          HG    LEU   71 - HG3   LYS+  74  13.41 +/- 1.42   0.001% *  0.4292% (1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HG3   LYS+  74  14.87 +/- 1.03   0.000% *  0.2609% (0.61   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+  74  15.76 +/- 0.62   0.000% *  0.1929% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   LYS+  74  20.41 +/- 1.17   0.000% *  0.4292% (1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   LYS+  74  18.32 +/- 0.50   0.000% *  0.1614% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG3   LYS+  74  23.33 +/- 1.66   0.000% *  0.1467% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.64 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 = 175.6:
    * O T HD2   LYS+  74 - HG3   LYS+  74   2.96 +/- 0.12  99.093% * 98.0930% (1.00   4.97 175.61) =  99.997%  kept
          QB    ALA   57 - HG3   LYS+  74   6.61 +/- 0.37   0.865% *  0.3421% (0.87   0.02   0.02) =   0.003%
          QD    LYS+  65 - HG3   LYS+  74  12.58 +/- 0.91   0.019% *  0.2233% (0.57   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  74  13.26 +/- 0.72   0.013% *  0.1920% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  33 - HG3   LYS+  74  15.40 +/- 1.17   0.006% *  0.2233% (0.57   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  74  19.31 +/- 0.86   0.001% *  0.2392% (0.61   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+  74  20.71 +/- 0.64   0.001% *  0.3294% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  74  22.96 +/- 0.96   0.000% *  0.2233% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+  74  22.12 +/- 1.58   0.001% *  0.1345% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 175.6:
    * O T QE    LYS+  74 - HG3   LYS+  74   2.69 +/- 0.40  99.540% * 98.7918% (1.00   4.00 175.61) =  99.999%  kept
          QB    CYS   50 - HG3   LYS+  74   8.55 +/- 1.06   0.129% *  0.4929% (1.00   0.02   0.02) =   0.001%
          HB2   PHE   72 - HG3   LYS+  74   8.18 +/- 0.83   0.284% *  0.1525% (0.31   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+  74  10.34 +/- 0.86   0.046% *  0.1854% (0.38   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+  74  19.47 +/- 0.82   0.001% *  0.3775% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 175.6:
    *   T HA    LYS+  74 - HD2   LYS+  74   2.58 +/- 0.62  99.939% * 99.5012% (0.80   5.91 175.61) = 100.000%  kept
          HA    THR   94 - HD2   LYS+  74  10.00 +/- 0.94   0.042% *  0.2550% (0.61   0.02   0.02) =   0.000%
          HA    MET   92 - HD2   LYS+  74  11.86 +/- 1.10   0.017% *  0.0936% (0.22   0.02   0.02) =   0.000%
        T HA    LYS+  74 - QD    LYS+  38  19.35 +/- 1.44   0.002% *  0.0738% (0.18   0.02   0.02) =   0.000%
          HA    THR   94 - QD    LYS+  38  21.96 +/- 0.94   0.001% *  0.0559% (0.13   0.02   0.02) =   0.000%
        T HA    MET   92 - QD    LYS+  38  26.59 +/- 1.05   0.000% *  0.0205% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 877 (1.48, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.8, support = 0.02, residual support = 175.5:
    * O T HB2   LYS+  74 - HD2   LYS+  74   2.57 +/- 0.45  99.794% * 13.0802% (0.80   0.02 175.61) =  99.928%  kept
          QG2   THR   26 - HD2   LYS+  74  10.17 +/- 0.32   0.037% *  8.5943% (0.53   0.02   0.02) =   0.024%
          HB3   LEU   40 - QD    LYS+  38   9.37 +/- 1.13   0.080% *  3.2126% (0.20   0.02   0.02) =   0.020%
          HG    LEU  115 - HD2   LYS+  74  13.60 +/- 1.15   0.009% * 11.2207% (0.69   0.02   0.02) =   0.008%
        T HG2   LYS+  65 - HD2   LYS+  74  11.81 +/- 1.00   0.012% *  7.3236% (0.45   0.02   0.02) =   0.007%
          HB3   LEU   40 - HD2   LYS+  74  15.69 +/- 0.91   0.003% * 14.6499% (0.90   0.02   0.02) =   0.003%
          HB3   LEU  115 - HD2   LYS+  74  12.32 +/- 0.77   0.013% *  2.8608% (0.18   0.02   0.02) =   0.003%
          HG    LEU   67 - HD2   LYS+  74  14.00 +/- 1.49   0.006% *  4.0732% (0.25   0.02   0.02) =   0.002%
          HG    LEU   40 - HD2   LYS+  74  13.65 +/- 1.02   0.007% *  2.8608% (0.18   0.02   0.02) =   0.002%
          QB    ALA  120 - HD2   LYS+  74  17.04 +/- 0.52   0.002% * 11.2207% (0.69   0.02   0.02) =   0.001%
          HG    LEU   40 - QD    LYS+  38  10.95 +/- 0.91   0.024% *  0.6273% (0.04   0.02   0.02) =   0.001%
        T HD2   LYS+ 121 - HD2   LYS+  74  19.04 +/- 0.99   0.001% *  6.1308% (0.38   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  38  15.25 +/- 2.24   0.006% *  0.8932% (0.05   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  15.57 +/- 0.94   0.003% *  1.8846% (0.12   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  38  18.45 +/- 1.00   0.001% *  2.4606% (0.15   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  20.17 +/- 1.65   0.001% *  2.8684% (0.18   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  18.59 +/- 1.69   0.001% *  1.3444% (0.08   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  21.92 +/- 2.16   0.000% *  1.6060% (0.10   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  38  24.52 +/- 1.55   0.000% *  2.4606% (0.15   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  38  23.09 +/- 1.58   0.000% *  0.6273% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 12 structures by 0.32 A, eliminated.
    Peak unassigned.
 
    Peak 878 (1.24, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.882, support = 5.53, residual support = 180.7:
    * O T HG2   LYS+  74 - HD2   LYS+  74   2.68 +/- 0.22  33.351% * 91.0365% (1.00   5.54 175.61) =  87.232%  kept
      O T HG3   LYS+  38 - QD    LYS+  38   2.36 +/- 0.11  66.171% *  6.7156% (0.07   5.47 215.13) =  12.767%  kept
          QG2   ILE   56 - HD2   LYS+  74   6.26 +/- 0.63   0.223% *  0.0650% (0.20   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  38   7.05 +/- 0.73   0.115% *  0.0719% (0.22   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  38   7.29 +/- 0.43   0.088% *  0.0437% (0.13   0.02  30.30) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74  10.17 +/- 0.61   0.012% *  0.3032% (0.92   0.02   8.15) =   0.000%
          HG    LEU   71 - QD    LYS+  38  11.90 +/- 1.71   0.023% *  0.0719% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  10.77 +/- 1.10   0.008% *  0.1992% (0.61   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.84 +/- 1.29   0.003% *  0.3277% (1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  13.89 +/- 0.81   0.002% *  0.1992% (0.61   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+  74  15.17 +/- 1.15   0.001% *  0.1473% (0.45   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  18.73 +/- 1.39   0.000% *  0.3277% (1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  16.69 +/- 1.77   0.001% *  0.0665% (0.20   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HD2   LYS+  74  16.55 +/- 0.79   0.001% *  0.1233% (0.38   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  22.16 +/- 1.66   0.000% *  0.1120% (0.34   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.53 +/- 1.56   0.000% *  0.0720% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  23.41 +/- 1.55   0.000% *  0.0437% (0.13   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  19.92 +/- 1.31   0.000% *  0.0143% (0.04   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  25.02 +/- 0.93   0.000% *  0.0323% (0.10   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  27.48 +/- 0.92   0.000% *  0.0270% (0.08   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 175.6:
    * O T HG3   LYS+  74 - HD2   LYS+  74   2.96 +/- 0.12  96.041% * 97.6464% (1.00   4.97 175.61) =  99.995%  kept
          HB    VAL   75 - HD2   LYS+  74   6.12 +/- 1.10   2.346% *  0.1212% (0.31   0.02  27.08) =   0.003%
          QD2   LEU   71 - QD    LYS+  38  10.82 +/- 1.75   1.184% *  0.0591% (0.15   0.02   0.02) =   0.001%
          QD1   LEU   67 - HD2   LYS+  74  10.59 +/- 1.20   0.065% *  0.3624% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   71 - HD2   LYS+  74  10.56 +/- 0.72   0.051% *  0.2697% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD    LYS+  38   8.83 +/- 0.61   0.153% *  0.0772% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   40 - HD2   LYS+  74  11.85 +/- 0.58   0.025% *  0.3521% (0.90   0.02   0.02) =   0.000%
          QG2   ILE  103 - HD2   LYS+  74  14.02 +/- 0.71   0.010% *  0.3848% (0.98   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    LYS+  38  12.49 +/- 1.54   0.045% *  0.0795% (0.20   0.02   0.02) =   0.000%
          QD1   ILE  103 - HD2   LYS+  74  13.74 +/- 0.76   0.011% *  0.2223% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  119 - HD2   LYS+  74  13.17 +/- 0.83   0.013% *  0.1473% (0.38   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    LYS+  38  12.00 +/- 0.58   0.023% *  0.0844% (0.21   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD    LYS+  38  11.78 +/- 1.00   0.029% *  0.0487% (0.12   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD    LYS+  38  18.00 +/- 1.50   0.002% *  0.0323% (0.08   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - QD    LYS+  38  22.12 +/- 1.58   0.001% *  0.0861% (0.22   0.02   0.02) =   0.000%
          HB    VAL   75 - QD    LYS+  38  19.54 +/- 1.08   0.001% *  0.0266% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 175.6:
    * O T QE    LYS+  74 - HD2   LYS+  74   2.26 +/- 0.05  99.671% * 98.7292% (1.00   4.97 175.61) = 100.000%  kept
          HB2   PHE   72 - HD2   LYS+  74   7.17 +/- 1.11   0.163% *  0.1225% (0.31   0.02   0.02) =   0.000%
          QB    CYS   50 - HD2   LYS+  74   8.63 +/- 1.01   0.041% *  0.3960% (1.00   0.02   0.02) =   0.000%
          HB3   ASN   69 - QD    LYS+  38  12.25 +/- 2.12   0.113% *  0.0665% (0.17   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+  74  11.29 +/- 1.02   0.008% *  0.1490% (0.38   0.02   0.02) =   0.000%
          HB3   ASN   69 - HD2   LYS+  74  18.48 +/- 0.80   0.000% *  0.3033% (0.76   0.02   0.02) =   0.000%
          HB2   PHE   72 - QD    LYS+  38  16.24 +/- 1.82   0.003% *  0.0269% (0.07   0.02   0.02) =   0.000%
        T QE    LYS+  74 - QD    LYS+  38  18.67 +/- 1.23   0.000% *  0.0870% (0.22   0.02   0.02) =   0.000%
          QB    CYS   50 - QD    LYS+  38  25.33 +/- 1.00   0.000% *  0.0868% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  38  28.35 +/- 1.26   0.000% *  0.0327% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 175.6:
    *   T HA    LYS+  74 - QE    LYS+  74   2.84 +/- 0.31  99.847% * 99.5813% (0.80   4.93 175.61) = 100.000%  kept
          HA    THR   94 - QE    LYS+  74   8.94 +/- 0.96   0.117% *  0.3063% (0.61   0.02   0.02) =   0.000%
          HA    MET   92 - QE    LYS+  74  10.91 +/- 1.14   0.036% *  0.1124% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 883 (1.48, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 175.6:
    *   T HB2   LYS+  74 - QE    LYS+  74   2.56 +/- 0.63  99.715% * 97.7702% (0.80   4.62 175.61) =  99.999%  kept
          QG2   THR   26 - QE    LYS+  74   9.47 +/- 0.32   0.072% *  0.2780% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QE    LYS+  74   9.74 +/- 0.95   0.048% *  0.2369% (0.45   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  74  11.63 +/- 0.97   0.029% *  0.3630% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  74  10.55 +/- 0.95   0.071% *  0.0925% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  74  13.70 +/- 0.69   0.009% *  0.4739% (0.90   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  74  11.93 +/- 1.17   0.022% *  0.1318% (0.25   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  74  14.69 +/- 0.43   0.006% *  0.3630% (0.69   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  74  11.86 +/- 0.96   0.024% *  0.0925% (0.18   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  74  16.60 +/- 0.97   0.003% *  0.1983% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.04 A, kept.
 
    Peak 884 (1.24, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 175.6:
    * O T HG2   LYS+  74 - QE    LYS+  74   2.84 +/- 0.62  96.761% * 97.6365% (1.00   4.54 175.61) =  99.996%  kept
          QG2   ILE   56 - QE    LYS+  74   5.38 +/- 0.66   2.843% *  0.0851% (0.20   0.02   0.02) =   0.003%
          HG13  ILE   19 - QE    LYS+  74   9.05 +/- 0.76   0.222% *  0.3971% (0.92   0.02   8.15) =   0.001%
          HG    LEU   71 - QE    LYS+  74  11.35 +/- 1.06   0.052% *  0.4292% (1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  74   9.91 +/- 1.07   0.071% *  0.2609% (0.61   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+  74  12.13 +/- 0.81   0.030% *  0.2609% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+  74  16.48 +/- 1.11   0.005% *  0.4292% (1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QE    LYS+  74  14.22 +/- 1.17   0.008% *  0.1929% (0.45   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QE    LYS+  74  14.65 +/- 0.97   0.007% *  0.1614% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QE    LYS+  74  19.77 +/- 1.18   0.001% *  0.1467% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 885 (0.98, 2.80, 41.81 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 175.6:
    * O T HG3   LYS+  74 - QE    LYS+  74   2.69 +/- 0.40  97.688% * 97.6862% (1.00   4.00 175.61) =  99.996%  kept
          HB    VAL   75 - QE    LYS+  74   6.19 +/- 0.83   2.005% *  0.1508% (0.31   0.02  27.08) =   0.003%
          QD1   LEU   67 - QE    LYS+  74   9.01 +/- 0.87   0.125% *  0.4509% (0.92   0.02   0.02) =   0.001%
          QD2   LEU   71 - QE    LYS+  74   9.24 +/- 0.74   0.074% *  0.3355% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   40 - QE    LYS+  74  10.35 +/- 0.38   0.043% *  0.4380% (0.90   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    LYS+  74  12.49 +/- 0.58   0.016% *  0.4788% (0.98   0.02   0.02) =   0.000%
          QG2   ILE  119 - QE    LYS+  74  11.16 +/- 0.71   0.029% *  0.1833% (0.38   0.02   0.02) =   0.000%
          QD1   ILE  103 - QE    LYS+  74  12.38 +/- 0.76   0.019% *  0.2765% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 886 (1.64, 2.80, 41.81 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 175.6:
    * O T HD2   LYS+  74 - QE    LYS+  74   2.26 +/- 0.05  99.299% * 98.0930% (1.00   4.97 175.61) =  99.998%  kept
          QB    ALA   57 - QE    LYS+  74   5.30 +/- 0.36   0.680% *  0.3421% (0.87   0.02   0.02) =   0.002%
          QD    LYS+  65 - QE    LYS+  74  10.39 +/- 0.84   0.012% *  0.2233% (0.57   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  74  12.40 +/- 1.03   0.004% *  0.1920% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  33 - QE    LYS+  74  13.75 +/- 1.13   0.002% *  0.2233% (0.57   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  74  14.82 +/- 0.52   0.001% *  0.2392% (0.61   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QE    LYS+  74  16.66 +/- 0.86   0.001% *  0.3294% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  74  18.22 +/- 0.68   0.000% *  0.2233% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  74  18.67 +/- 1.23   0.000% *  0.1345% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (2.80, 2.80, 41.81 ppm):
    1 diagonal assignment:
    *     QE    LYS+  74 - QE    LYS+  74  (1.00)  kept
 
    Peak 888 (3.71, 3.71, 61.73 ppm):
    1 diagonal assignment:
    *     HA    VAL   75 - HA    VAL   75  (1.00)  kept
 
    Peak 889 (1.00, 3.71, 61.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 83.3:
    * O T HB    VAL   75 - HA    VAL   75   2.89 +/- 0.22  98.357% * 98.6248% (1.00   3.44  83.28) =  99.997%  kept
          HG3   LYS+  74 - HA    VAL   75   5.92 +/- 0.41   1.606% *  0.1770% (0.31   0.02  27.08) =   0.003%
          QD2   LEU   40 - HA    VAL   75  13.08 +/- 0.43   0.013% *  0.3246% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    VAL   75  13.69 +/- 0.77   0.010% *  0.3017% (0.53   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    VAL   75  14.24 +/- 0.40   0.007% *  0.2357% (0.41   0.02   0.02) =   0.000%
        T QD1   ILE  119 - HA    VAL   75  15.80 +/- 0.62   0.004% *  0.2357% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL   75  17.44 +/- 0.38   0.002% *  0.1004% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 890 (0.44, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.3:
    * O T QG1   VAL   75 - HA    VAL   75   2.73 +/- 0.19  99.994% * 99.5292% (1.00   4.00  83.28) = 100.000%  kept
          QD1   LEU  115 - HA    VAL   75  14.20 +/- 0.58   0.006% *  0.4708% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 891 (0.13, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.3:
    * O T QG2   VAL   75 - HA    VAL   75   2.22 +/- 0.15  99.987% * 99.5198% (1.00   4.00  83.28) = 100.000%  kept
          QG2   VAL   42 - HA    VAL   75  10.35 +/- 1.01   0.013% *  0.4802% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 892 (3.71, 1.00, 35.37 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 83.3:
    * O T HA    VAL   75 - HB    VAL   75   2.89 +/- 0.22  99.974% * 99.1755% (1.00   3.44  83.28) = 100.000%  kept
          HD3   PRO   58 - HB    VAL   75  14.28 +/- 0.73   0.008% *  0.5171% (0.90   0.02   0.02) =   0.000%
          HA    ALA   61 - HB    VAL   75  13.56 +/- 0.56   0.011% *  0.1284% (0.22   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    VAL   75  15.46 +/- 0.27   0.005% *  0.0780% (0.14   0.02   0.02) =   0.000%
        T HA    ILE  119 - HB    VAL   75  17.32 +/- 0.85   0.003% *  0.1010% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 893 (1.00, 1.00, 35.37 ppm):
    1 diagonal assignment:
    *     HB    VAL   75 - HB    VAL   75  (1.00)  kept
 
    Peak 894 (0.44, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 83.3:
    * O T QG1   VAL   75 - HB    VAL   75   2.12 +/- 0.01  99.998% * 99.4530% (1.00   3.44  83.28) = 100.000%  kept
          QD1   LEU  115 - HB    VAL   75  12.94 +/- 0.72   0.002% *  0.5470% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (0.13, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 83.3:
    * O T QG2   VAL   75 - HB    VAL   75   2.12 +/- 0.01  99.981% * 99.4207% (1.00   3.31  83.28) = 100.000%  kept
        T QG2   VAL   42 - HB    VAL   75   9.22 +/- 1.00   0.019% *  0.5793% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (3.71, 0.44, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.3:
    * O T HA    VAL   75 - QG1   VAL   75   2.73 +/- 0.19  99.953% * 99.2901% (1.00   4.00  83.28) = 100.000%  kept
          HD3   PRO   58 - QG1   VAL   75  12.66 +/- 0.58   0.013% *  0.4452% (0.90   0.02   0.02) =   0.000%
        T HA    ALA   61 - QG1   VAL   75  12.63 +/- 0.69   0.015% *  0.1105% (0.22   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG1   VAL   75  12.02 +/- 0.40   0.015% *  0.0672% (0.14   0.02   0.02) =   0.000%
          HA    ILE  119 - QG1   VAL   75  15.70 +/- 0.73   0.004% *  0.0869% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 897 (1.00, 0.44, 21.81 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 83.3:
    * O T HB    VAL   75 - QG1   VAL   75   2.12 +/- 0.01  99.873% * 98.6248% (1.00   3.44  83.28) = 100.000%  kept
          HG3   LYS+  74 - QG1   VAL   75   6.70 +/- 0.37   0.108% *  0.1770% (0.31   0.02  27.08) =   0.000%
          QD2   LEU   40 - QG1   VAL   75  10.84 +/- 0.59   0.006% *  0.3246% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG1   VAL   75  10.69 +/- 0.58   0.007% *  0.2357% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG1   VAL   75  11.97 +/- 0.60   0.003% *  0.3017% (0.53   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   75  13.17 +/- 0.54   0.002% *  0.2357% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL   75  13.97 +/- 0.62   0.001% *  0.1004% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 898 (0.44, 0.44, 21.81 ppm):
    1 diagonal assignment:
    *     QG1   VAL   75 - QG1   VAL   75  (1.00)  kept
 
    Peak 899 (0.13, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.3:
    * O T QG2   VAL   75 - QG1   VAL   75   2.07 +/- 0.04  99.980% * 99.5198% (1.00   4.00  83.28) = 100.000%  kept
          QG2   VAL   42 - QG1   VAL   75   8.95 +/- 0.82   0.020% *  0.4802% (0.97   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 900 (3.71, 0.13, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.3:
    * O T HA    VAL   75 - QG2   VAL   75   2.22 +/- 0.15  99.990% * 99.2901% (1.00   4.00  83.28) = 100.000%  kept
          HD3   PRO   58 - QG2   VAL   75  13.35 +/- 0.46   0.003% *  0.4452% (0.90   0.02   0.02) =   0.000%
          HA    ALA   61 - QG2   VAL   75  11.96 +/- 0.45   0.005% *  0.1105% (0.22   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   VAL   75  14.22 +/- 0.31   0.002% *  0.0672% (0.14   0.02   0.02) =   0.000%
          HA    ILE  119 - QG2   VAL   75  15.30 +/- 0.45   0.001% *  0.0869% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (1.00, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 83.3:
    * O T HB    VAL   75 - QG2   VAL   75   2.12 +/- 0.01  99.846% * 98.5726% (1.00   3.31  83.28) = 100.000%  kept
          HG3   LYS+  74 - QG2   VAL   75   6.50 +/- 0.20   0.124% *  0.1837% (0.31   0.02  27.08) =   0.000%
          QD2   LEU   40 - QG2   VAL   75   9.56 +/- 0.40   0.012% *  0.3370% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG2   VAL   75  10.26 +/- 0.49   0.008% *  0.2447% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG2   VAL   75  10.82 +/- 0.53   0.006% *  0.3131% (0.53   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   75  13.13 +/- 0.50   0.002% *  0.2447% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   VAL   75  12.84 +/- 0.41   0.002% *  0.1042% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (0.44, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.3:
    * O T QG1   VAL   75 - QG2   VAL   75   2.07 +/- 0.04  99.997% * 99.5292% (1.00   4.00  83.28) = 100.000%  kept
          QD1   LEU  115 - QG2   VAL   75  12.01 +/- 0.54   0.003% *  0.4708% (0.95   0.02   0.02) =   0.000%
    Distance limit 2.74 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 = 2.88, residual support = 36.1:
    * O T HB2   ASP-  76 - HA    ASP-  76   2.95 +/- 0.05  94.985% * 98.0610% (1.00   2.88  36.07) =  99.981%  kept
          HB2   ASP-  78 - HA    ASP-  76   5.30 +/- 0.41   3.146% *  0.4943% (0.73   0.02   3.59) =   0.017%
          HB2   ASN   69 - HA    LEU   67   6.14 +/- 0.75   1.459% *  0.1095% (0.16   0.02   3.02) =   0.002%
        T QE    LYS+  66 - HA    LEU   67   7.47 +/- 0.40   0.392% *  0.0249% (0.04   0.02  10.46) =   0.000%
          HB2   ASN   28 - HA    ASP-  76  15.78 +/- 0.35   0.004% *  0.1050% (0.15   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    ASP-  76  17.93 +/- 1.08   0.002% *  0.1516% (0.22   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LEU   67  14.77 +/- 2.17   0.010% *  0.0249% (0.04   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  76  24.05 +/- 0.45   0.000% *  0.6673% (0.98   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HA    ASP-  76  20.65 +/- 0.64   0.001% *  0.1516% (0.22   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LEU   67  22.06 +/- 0.61   0.001% *  0.1117% (0.16   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LEU   67  26.08 +/- 0.61   0.000% *  0.0811% (0.12   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LEU   67  23.15 +/- 0.41   0.000% *  0.0172% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (2.24, 5.02, 52.40 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 36.1:
    * O T HB3   ASP-  76 - HA    ASP-  76   2.74 +/- 0.19  99.833% * 96.2106% (0.87   3.00  36.07) = 100.000%  kept
          HG3   MET   92 - HA    ASP-  76  10.31 +/- 1.09   0.045% *  0.6421% (0.87   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  76   9.38 +/- 0.82   0.075% *  0.1002% (0.14   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    ASP-  76  11.92 +/- 0.32   0.016% *  0.2525% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  76  16.05 +/- 0.53   0.003% *  0.5657% (0.76   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    ASP-  76  19.12 +/- 0.36   0.001% *  0.7337% (0.99   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LEU   67  14.18 +/- 0.40   0.006% *  0.1204% (0.16   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   67  12.35 +/- 0.67   0.013% *  0.0456% (0.06   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LEU   67  14.80 +/- 0.54   0.004% *  0.0972% (0.13   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  76  18.91 +/- 0.56   0.001% *  0.2778% (0.38   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LEU   67  14.97 +/- 0.46   0.004% *  0.0414% (0.06   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP-  76  25.40 +/- 0.52   0.000% *  0.5928% (0.80   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   67  20.79 +/- 0.56   0.001% *  0.0928% (0.13   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - HA    LEU   67  22.89 +/- 0.80   0.000% *  0.1053% (0.14   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   67  25.50 +/- 0.87   0.000% *  0.1053% (0.14   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   67  26.88 +/- 0.72   0.000% *  0.0164% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 907 (5.02, 2.90, 42.19 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.88, residual support = 36.1:
    * O T HA    ASP-  76 - HB2   ASP-  76   2.95 +/- 0.05  99.575% * 99.5195% (1.00   2.88  36.07) = 100.000%  kept
        T HA    LEU   67 - QE    LYS+  66   7.47 +/- 0.40   0.411% *  0.0358% (0.05   0.02  10.46) =   0.000%
        T HA    LEU   67 - QE    LYS+  33  14.77 +/- 2.17   0.010% *  0.0257% (0.04   0.02   0.02) =   0.000%
        T HA    ASP-  76 - QE    LYS+  33  17.93 +/- 1.08   0.002% *  0.1031% (0.15   0.02   0.02) =   0.000%
        T HA    ASP-  76 - QE    LYS+  66  20.65 +/- 0.64   0.001% *  0.1436% (0.21   0.02   0.02) =   0.000%
        T HA    LEU   67 - HB2   ASP-  76  22.06 +/- 0.61   0.001% *  0.1723% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 2.88, residual support = 36.1:
    * O T HB3   ASP-  76 - HB2   ASP-  76   1.75 +/- 0.00  99.899% * 95.3323% (0.87   2.88  36.07) = 100.000%  kept
          HB2   GLU-  29 - QE    LYS+  33   6.69 +/- 1.53   0.078% *  0.0871% (0.11   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  66   8.06 +/- 1.15   0.016% *  0.0596% (0.08   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ASP-  76  12.65 +/- 1.27   0.001% *  0.6625% (0.87   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ASP-  76  10.36 +/- 1.01   0.003% *  0.1034% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ASP-  76  14.37 +/- 0.73   0.000% *  0.5837% (0.76   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   ASP-  76  13.50 +/- 0.42   0.000% *  0.2605% (0.34   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  33  13.00 +/- 1.18   0.001% *  0.0912% (0.12   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  66  14.17 +/- 1.08   0.000% *  0.1574% (0.21   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   ASP-  76  21.29 +/- 0.39   0.000% *  0.7570% (0.99   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  33  14.46 +/- 0.92   0.000% *  0.0389% (0.05   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   ASP-  76  21.23 +/- 0.67   0.000% *  0.2866% (0.38   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  33  18.28 +/- 1.09   0.000% *  0.0988% (0.13   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  66  19.49 +/- 0.83   0.000% *  0.1271% (0.17   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  66  16.97 +/- 0.64   0.000% *  0.0542% (0.07   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  33  19.81 +/- 1.25   0.000% *  0.1129% (0.15   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   ASP-  76  26.08 +/- 0.58   0.000% *  0.6116% (0.80   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  66  22.43 +/- 0.80   0.000% *  0.1377% (0.18   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  66  23.30 +/- 1.36   0.000% *  0.1377% (0.18   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  33  24.05 +/- 1.88   0.000% *  0.0988% (0.13   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  66  24.44 +/- 0.45   0.000% *  0.1213% (0.16   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  33  22.45 +/- 1.65   0.000% *  0.0428% (0.06   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  33  22.55 +/- 1.03   0.000% *  0.0154% (0.02   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  66  25.06 +/- 0.98   0.000% *  0.0215% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 910 (5.02, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 36.1:
    * O T HA    ASP-  76 - HB3   ASP-  76   2.74 +/- 0.19 100.000% * 99.8339% (0.87   3.00  36.07) = 100.000%  kept
        T HA    LEU   67 - HB3   ASP-  76  22.89 +/- 0.80   0.000% *  0.1661% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 2.88, residual support = 36.1:
    * O T HB2   ASP-  76 - HB3   ASP-  76   1.75 +/- 0.00  97.471% * 98.4228% (0.87   2.88  36.07) =  99.987%  kept
          HB2   ASP-  78 - HB3   ASP-  76   3.55 +/- 0.76   2.528% *  0.4967% (0.63   0.02   3.59) =   0.013%
          HB2   ASN   28 - HB3   ASP-  76  15.52 +/- 0.44   0.000% *  0.1055% (0.13   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HB3   ASP-  76  18.28 +/- 1.09   0.000% *  0.1523% (0.19   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  76  25.51 +/- 0.74   0.000% *  0.6704% (0.85   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HB3   ASP-  76  22.43 +/- 0.80   0.000% *  0.1523% (0.19   0.02   0.02) =   0.000%
    Distance limit 2.54 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   2.54 +/- 0.06  99.487% * 95.5113% (1.00   3.00  37.70) =  99.998%  kept
          HA    GLU-  79 - HA    THR   77   6.38 +/- 0.11   0.403% *  0.4374% (0.69   0.02   0.02) =   0.002%
          HA    SER   85 - HA    THR   77   8.79 +/- 0.24   0.059% *  0.6367% (1.00   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA    THR   77   9.92 +/- 0.16   0.029% *  0.6311% (0.99   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    THR   77  11.07 +/- 0.15   0.015% *  0.2390% (0.38   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    THR   77  14.39 +/- 0.60   0.003% *  0.3099% (0.49   0.02   0.02) =   0.000%
          HA    ALA   57 - HA    THR   77  13.64 +/- 0.44   0.004% *  0.1418% (0.22   0.02   0.02) =   0.000%
          HA    ILE  103 - HA    THR   77  18.74 +/- 0.46   0.001% *  0.6241% (0.98   0.02   0.02) =   0.000%
          HA    THR   39 - HA    THR   77  24.11 +/- 0.39   0.000% *  0.3862% (0.61   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    THR   77  25.03 +/- 1.01   0.000% *  0.1965% (0.31   0.02   0.02) =   0.000%
          HA    MET   11 - HA    THR   77  32.52 +/- 2.62   0.000% *  0.6241% (0.98   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    THR   77  30.39 +/- 1.64   0.000% *  0.2618% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.94 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   2.37 +/- 0.10  99.927% * 98.6696% (1.00   3.00  37.70) = 100.000%  kept
          QB    ALA   88 - HA    THR   77   8.36 +/- 0.29   0.055% *  0.5267% (0.80   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    THR   77  10.15 +/- 0.34   0.017% *  0.1829% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    THR   77  17.78 +/- 0.49   0.001% *  0.1015% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    THR   77  23.97 +/- 0.47   0.000% *  0.2244% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    THR   77  25.80 +/- 0.73   0.000% *  0.2949% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.85 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   2.54 +/- 0.06  99.909% * 99.4058% (1.00   3.00  37.70) = 100.000%  kept
          HD2   PRO   93 - HB    THR   77   8.43 +/- 0.65   0.087% *  0.2971% (0.45   0.02   0.02) =   0.000%
          HB2   TRP   27 - HB    THR   77  13.61 +/- 0.44   0.004% *  0.2971% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 2.79, residual support = 37.7:
    * O T QG2   THR   77 - HB    THR   77   2.14 +/- 0.01  99.940% * 98.5721% (1.00   2.79  37.70) = 100.000%  kept
          QB    ALA   88 - HB    THR   77   7.52 +/- 0.37   0.056% *  0.5653% (0.80   0.02   0.02) =   0.000%
        T QG2   THR   23 - HB    THR   77  12.06 +/- 0.29   0.003% *  0.1963% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB    THR   77  16.49 +/- 0.52   0.000% *  0.1089% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB    THR   77  25.40 +/- 0.47   0.000% *  0.2408% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB    THR   77  27.71 +/- 0.75   0.000% *  0.3165% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.91 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   2.37 +/- 0.10  99.512% * 99.4058% (1.00   3.00  37.70) =  99.999%  kept
          HD2   PRO   93 - QG2   THR   77   5.87 +/- 0.45   0.476% *  0.2971% (0.45   0.02   0.02) =   0.001%
          HB2   TRP   27 - QG2   THR   77  10.71 +/- 0.48   0.012% *  0.2971% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 2.79, residual support = 37.7:
    * O T HB    THR   77 - QG2   THR   77   2.14 +/- 0.01  99.797% * 95.1938% (1.00   2.79  37.70) =  99.999%  kept
          HA    ASP-  44 - QG2   THR   77   6.77 +/- 0.16   0.102% *  0.6758% (0.99   0.02   0.02) =   0.001%
          HA    GLU-  79 - QG2   THR   77   7.50 +/- 0.06   0.054% *  0.4683% (0.69   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   77   9.06 +/- 0.22   0.018% *  0.6818% (1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   77  10.27 +/- 0.67   0.009% *  0.3319% (0.49   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   77   9.61 +/- 0.41   0.013% *  0.1518% (0.22   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   THR   77  10.74 +/- 0.19   0.006% *  0.2559% (0.38   0.02   0.02) =   0.000%
          HA    ILE  103 - QG2   THR   77  14.74 +/- 0.41   0.001% *  0.6683% (0.98   0.02   0.02) =   0.000%
          HA    THR   39 - QG2   THR   77  19.71 +/- 0.35   0.000% *  0.4135% (0.61   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   THR   77  20.97 +/- 0.82   0.000% *  0.2104% (0.31   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   77  27.39 +/- 2.05   0.000% *  0.6683% (0.98   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   THR   77  25.49 +/- 1.21   0.000% *  0.2803% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 921 (1.30, 1.30, 23.34 ppm):
    1 diagonal assignment:
    *     QG2   THR   77 - QG2   THR   77  (1.00)  kept
 
    Peak 922 (4.83, 4.83, 56.44 ppm):
    1 diagonal assignment:
    *     HA    ASP-  78 - HA    ASP-  78  (1.00)  kept
 
    Peak 923 (2.91, 4.83, 56.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.99, residual support = 37.1:
    * O T HB2   ASP-  78 - HA    ASP-  78   2.94 +/- 0.22  98.665% * 97.9804% (1.00   2.99  37.07) =  99.994%  kept
          HB2   ASP-  76 - HA    ASP-  78   6.30 +/- 0.43   1.304% *  0.4763% (0.73   0.02   3.59) =   0.006%
          HB2   ASP-  86 - HA    ASP-  78  11.63 +/- 0.46   0.028% *  0.1298% (0.20   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  78  17.96 +/- 0.21   0.002% *  0.3451% (0.53   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  78  21.93 +/- 1.04   0.001% *  0.4243% (0.65   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  78  22.78 +/- 0.81   0.000% *  0.2462% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  78  30.10 +/- 0.45   0.000% *  0.3979% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 924 (2.78, 4.83, 56.44 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 37.1:
    * O T HB3   ASP-  78 - HA    ASP-  78   2.63 +/- 0.14  99.859% * 98.9028% (1.00   2.31  37.07) = 100.000%  kept
          QB    CYS   50 - HA    ASP-  78   8.14 +/- 0.60   0.125% *  0.2920% (0.34   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASP-  78  11.77 +/- 0.88   0.016% *  0.3213% (0.38   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASP-  78  27.04 +/- 0.49   0.000% *  0.3519% (0.41   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASP-  78  25.39 +/- 1.25   0.000% *  0.1321% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (4.83, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.99, residual support = 37.1:
    * O T HA    ASP-  78 - HB2   ASP-  78   2.94 +/- 0.22  99.739% * 98.7769% (1.00   2.99  37.07) =  99.999%  kept
          HA    LEU   80 - HB2   ASP-  78   8.59 +/- 0.46   0.191% *  0.3219% (0.49   0.02   0.64) =   0.001%
          HA    THR   23 - HB2   ASP-  78  10.62 +/- 0.59   0.054% *  0.5736% (0.87   0.02   0.02) =   0.000%
          HB    THR   23 - HB2   ASP-  78  13.03 +/- 0.60   0.015% *  0.2256% (0.34   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB2   ASP-  78  24.88 +/- 0.30   0.000% *  0.1020% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 2.41, residual support = 37.1:
    * O T HB3   ASP-  78 - HB2   ASP-  78   1.75 +/- 0.00  99.980% * 98.9457% (1.00   2.41  37.07) = 100.000%  kept
          QB    CYS   50 - HB2   ASP-  78   7.51 +/- 0.54   0.018% *  0.2806% (0.34   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASP-  78  10.49 +/- 0.79   0.002% *  0.3087% (0.38   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASP-  78  26.36 +/- 0.64   0.000% *  0.3382% (0.41   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASP-  78  25.47 +/- 1.17   0.000% *  0.1269% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 928 (4.83, 2.78, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.31, residual support = 37.1:
    * O T HA    ASP-  78 - HB3   ASP-  78   2.63 +/- 0.14  99.923% * 98.4244% (1.00   2.31  37.07) = 100.000%  kept
          HA    LEU   80 - HB3   ASP-  78   9.39 +/- 0.37   0.056% *  0.4146% (0.49   0.02   0.64) =   0.000%
          HA    THR   23 - HB3   ASP-  78  11.61 +/- 0.47   0.016% *  0.7389% (0.87   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP-  78  14.08 +/- 0.52   0.005% *  0.2906% (0.34   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB3   ASP-  78  24.64 +/- 0.46   0.000% *  0.1314% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 2.41, residual support = 37.1:
    * O T HB2   ASP-  78 - HB3   ASP-  78   1.75 +/- 0.00  99.856% * 97.5044% (1.00   2.41  37.07) =  99.999%  kept
          HB2   ASP-  76 - HB3   ASP-  78   5.51 +/- 0.61   0.143% *  0.5886% (0.73   0.02   3.59) =   0.001%
          HB2   ASP-  86 - HB3   ASP-  78  13.85 +/- 0.42   0.000% *  0.1604% (0.20   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  78  18.79 +/- 0.32   0.000% *  0.4264% (0.53   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  78  21.85 +/- 1.13   0.000% *  0.5243% (0.65   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  78  21.20 +/- 0.76   0.000% *  0.3042% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  78  29.31 +/- 0.65   0.000% *  0.4916% (0.61   0.02   0.02) =   0.000%
    Distance limit 2.46 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 = 4.15, residual support = 53.7:
    * O T HB2   GLU-  79 - HA    GLU-  79   2.80 +/- 0.12  99.985% * 97.8396% (1.00   4.15  53.74) = 100.000%  kept
          HG2   MET   92 - HA    GLU-  79  14.39 +/- 1.35   0.006% *  0.4554% (0.97   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  79  14.39 +/- 0.29   0.006% *  0.2862% (0.61   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  79  17.71 +/- 0.63   0.002% *  0.3779% (0.80   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  79  21.31 +/- 0.40   0.001% *  0.4677% (0.99   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HA    GLU-  79  26.03 +/- 0.34   0.000% *  0.4554% (0.97   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  79  28.34 +/- 2.88   0.000% *  0.1177% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 3.5, residual support = 53.7:
    * O T QG    GLU-  79 - HA    GLU-  79   2.54 +/- 0.12  99.999% * 98.5906% (1.00   3.50  53.74) = 100.000%  kept
          QG    GLN   32 - HA    GLU-  79  18.30 +/- 1.15   0.001% *  0.4892% (0.87   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  79  20.43 +/- 0.87   0.000% *  0.1741% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLU-  79  23.23 +/- 0.40   0.000% *  0.1741% (0.31   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    GLU-  79  28.78 +/- 0.63   0.000% *  0.3193% (0.57   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU-  79  28.32 +/- 0.44   0.000% *  0.2528% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 4.15, residual support = 53.7:
    * O T HA    GLU-  79 - HB2   GLU-  79   2.80 +/- 0.12  99.727% * 97.2004% (1.00   4.15  53.74) =  99.999%  kept
          HB    THR   77 - HB2   GLU-  79   7.80 +/- 0.19   0.228% *  0.3220% (0.69   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   GLU-  79  11.60 +/- 0.25   0.021% *  0.3220% (0.69   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  79  12.47 +/- 0.61   0.015% *  0.2844% (0.61   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  79  14.38 +/- 0.62   0.006% *  0.3220% (0.69   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  79  16.12 +/- 0.50   0.003% *  0.4435% (0.95   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  79  21.66 +/- 0.76   0.001% *  0.3754% (0.80   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  79  24.40 +/- 0.80   0.000% *  0.4647% (0.99   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLU-  79  29.00 +/- 3.10   0.000% *  0.2654% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 935 (2.31, 2.31, 31.53 ppm):
    1 diagonal assignment:
    *     HB2   GLU-  79 - HB2   GLU-  79  (1.00)  kept
 
    Peak 936 (2.38, 2.31, 31.53 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 53.7:
    * O T QG    GLU-  79 - HB2   GLU-  79   2.33 +/- 0.11  99.999% * 98.5072% (1.00   3.30  53.74) = 100.000%  kept
          QG    GLN   32 - HB2   GLU-  79  17.32 +/- 0.95   0.001% *  0.5181% (0.87   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  79  18.55 +/- 1.05   0.000% *  0.1844% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLU-  79  21.17 +/- 0.73   0.000% *  0.1844% (0.31   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLU-  79  27.10 +/- 0.76   0.000% *  0.3382% (0.57   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLU-  79  26.26 +/- 0.64   0.000% *  0.2678% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 937 (4.27, 2.38, 37.37 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.5, residual support = 53.7:
    * O T HA    GLU-  79 - QG    GLU-  79   2.54 +/- 0.12  99.910% * 96.6973% (1.00   3.50  53.74) = 100.000%  kept
          HB    THR   77 - QG    GLU-  79   8.83 +/- 0.19   0.060% *  0.3799% (0.69   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  79  10.84 +/- 0.44   0.018% *  0.3799% (0.69   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG    GLU-  79  12.75 +/- 0.51   0.007% *  0.3355% (0.61   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  79  14.38 +/- 0.84   0.003% *  0.3799% (0.69   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  79  16.09 +/- 0.74   0.002% *  0.5232% (0.95   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  79  20.43 +/- 0.52   0.000% *  0.4429% (0.80   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  79  22.22 +/- 0.56   0.000% *  0.5482% (0.99   0.02   0.02) =   0.000%
          HA    MET   11 - QG    GLU-  79  25.21 +/- 2.95   0.000% *  0.3131% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 938 (2.31, 2.38, 37.37 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 53.7:
    * O T HB2   GLU-  79 - QG    GLU-  79   2.33 +/- 0.11  99.988% * 97.2991% (1.00   3.30  53.74) = 100.000%  kept
          HG3   GLU-  25 - QG    GLU-  79  11.49 +/- 0.66   0.008% *  0.3578% (0.61   0.02   0.02) =   0.000%
          HG2   MET   92 - QG    GLU-  79  14.29 +/- 1.01   0.002% *  0.5694% (0.97   0.02   0.02) =   0.000%
          HG2   PRO   52 - QG    GLU-  79  16.88 +/- 0.63   0.001% *  0.4724% (0.80   0.02   0.02) =   0.000%
          QG    GLU- 114 - QG    GLU-  79  19.30 +/- 0.59   0.000% *  0.5848% (0.99   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG    GLU-  79  21.50 +/- 0.47   0.000% *  0.5694% (0.97   0.02   0.02) =   0.000%
          QB    MET   11 - QG    GLU-  79  23.06 +/- 2.60   0.000% *  0.1471% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.42 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 = 5.63, residual support = 82.9:
    *   T QD1   LEU   80 - HA    LEU   80   1.91 +/- 0.13  99.993% * 98.3328% (0.65   5.63  82.86) = 100.000%  kept
          QD1   LEU   73 - HA    LEU   80  10.04 +/- 0.42   0.005% *  0.1842% (0.34   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   80  12.91 +/- 0.47   0.001% *  0.4510% (0.84   0.02   0.02) =   0.000%
        T QD2   LEU   98 - HA    LEU   80  13.84 +/- 0.80   0.001% *  0.3493% (0.65   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   80  20.04 +/- 0.61   0.000% *  0.4985% (0.92   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    LEU   80  17.91 +/- 0.57   0.000% *  0.1842% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 943 (4.81, 1.41, 40.36 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.17, residual support = 82.9:
    * O   HA    LEU   80 - HB2   LEU   80   2.90 +/- 0.17  97.231% * 98.8467% (1.00   5.17  82.86) =  99.991%  kept
          HA    THR   23 - HB2   LEU   80   5.58 +/- 0.36   2.202% *  0.3061% (0.80   0.02   4.93) =   0.007%
          HB    THR   23 - HB2   LEU   80   8.09 +/- 0.34   0.222% *  0.3689% (0.97   0.02   4.93) =   0.001%
          HA    ASP-  78 - HB2   LEU   80   7.62 +/- 0.39   0.344% *  0.1861% (0.49   0.02   0.64) =   0.001%
          HA    ASP- 105 - HB2   LEU   80  21.32 +/- 0.62   0.001% *  0.2922% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (1.41, 1.41, 40.36 ppm):
    1 diagonal assignment:
    *     HB2   LEU   80 - HB2   LEU   80  (1.00)  kept
 
    Peak 945 (0.56, 1.41, 40.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 4.24, residual support = 82.9:
    * O T QD1   LEU   80 - HB2   LEU   80   2.92 +/- 0.20  99.808% * 97.7967% (0.65   4.24  82.86) =  99.999%  kept
          QD1   LEU   73 - HB2   LEU   80   8.99 +/- 0.30   0.131% *  0.2434% (0.34   0.02   0.02) =   0.000%
        T QG2   VAL   41 - HB2   LEU   80  11.51 +/- 0.43   0.030% *  0.5961% (0.84   0.02   0.02) =   0.000%
        T QD2   LEU   98 - HB2   LEU   80  12.08 +/- 0.77   0.025% *  0.4616% (0.65   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   80  18.28 +/- 0.54   0.002% *  0.6587% (0.92   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   LEU   80  16.09 +/- 0.47   0.004% *  0.2434% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 946 (4.81, 0.56, 25.66 ppm):
    10 chemical-shift based assignments, quality = 0.643, support = 5.51, residual support = 80.5:
    *   T HA    LEU   80 - QD1   LEU   80   1.91 +/- 0.13  88.678% * 78.6930% (0.65   5.63  82.86) =  96.979%  kept
          HA    THR   23 - QD1   LEU   80   2.91 +/- 0.48  10.838% * 20.0439% (0.52   1.79   4.93) =   3.019%  kept
          HB    THR   23 - QD1   LEU   80   4.77 +/- 0.44   0.452% *  0.2698% (0.62   0.02   4.93) =   0.002%
          HA    ASP-  78 - QD1   LEU   80   8.06 +/- 0.45   0.018% *  0.1361% (0.31   0.02   0.64) =   0.000%
          HA    ASP- 105 - QD2   LEU   98   8.72 +/- 0.40   0.011% *  0.1225% (0.28   0.02   5.44) =   0.000%
        T HA    LEU   80 - QD2   LEU   98  13.84 +/- 0.80   0.001% *  0.1602% (0.37   0.02   0.02) =   0.000%
          HA    THR   23 - QD2   LEU   98  13.81 +/- 0.57   0.001% *  0.1283% (0.30   0.02   0.02) =   0.000%
          HB    THR   23 - QD2   LEU   98  14.43 +/- 0.53   0.001% *  0.1546% (0.36   0.02   0.02) =   0.000%
          HA    ASP- 105 - QD1   LEU   80  19.29 +/- 0.76   0.000% *  0.2136% (0.49   0.02   0.02) =   0.000%
          HA    ASP-  78 - QD2   LEU   98  16.86 +/- 0.78   0.000% *  0.0780% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 109.6:
    * O T QB    LYS+  81 - HA    LYS+  81   2.30 +/- 0.06  99.977% * 96.6148% (1.00   4.97 109.60) = 100.000%  kept
          HB3   GLN   90 - HA    LYS+  81   9.97 +/- 0.39   0.016% *  0.3850% (0.99   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  81  13.00 +/- 2.41   0.005% *  0.0969% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  81  18.79 +/- 0.55   0.000% *  0.3876% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  81  16.51 +/- 0.45   0.001% *  0.1458% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+  81  19.53 +/- 0.49   0.000% *  0.3749% (0.97   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  81  20.43 +/- 1.16   0.000% *  0.3369% (0.87   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  81  19.92 +/- 0.52   0.000% *  0.2821% (0.73   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  81  23.03 +/- 0.63   0.000% *  0.3244% (0.84   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  81  25.15 +/- 0.46   0.000% *  0.3483% (0.90   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  81  19.65 +/- 0.86   0.000% *  0.0599% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  81  28.58 +/- 0.74   0.000% *  0.2199% (0.57   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  81  31.63 +/- 0.40   0.000% *  0.3110% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+  81  26.04 +/- 0.41   0.000% *  0.0526% (0.14   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  81  32.58 +/- 0.49   0.000% *  0.0599% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.79 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 = 5.27, residual support = 109.6:
    * O T QG    LYS+  81 - HA    LYS+  81   2.51 +/- 0.13  99.997% * 99.1548% (1.00   5.27 109.60) = 100.000%  kept
          HD3   LYS+  74 - HA    LYS+  81  15.27 +/- 0.78   0.002% *  0.0837% (0.22   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - HA    LYS+  81  21.16 +/- 0.85   0.000% *  0.3728% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+  81  21.56 +/- 0.41   0.000% *  0.3142% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  81  23.57 +/- 0.50   0.000% *  0.0744% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 952 (1.77, 4.10, 60.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 109.6:
    *   T QD    LYS+  81 - HA    LYS+  81   3.66 +/- 0.52  99.974% * 98.6028% (1.00   3.44 109.60) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  81  15.36 +/- 0.42   0.023% *  0.5682% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    LYS+  81  26.68 +/- 0.83   0.001% *  0.5720% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  81  23.56 +/- 0.64   0.002% *  0.2570% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 953 (3.11, 4.10, 60.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 109.6:
    *   T QE    LYS+  81 - HA    LYS+  81   3.58 +/- 0.23  99.966% * 99.8983% (1.00   3.44 109.60) = 100.000%  kept
          HB3   TRP   49 - HA    LYS+  81  13.99 +/- 1.20   0.034% *  0.1017% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.12 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 = 109.6:
    * O T HA    LYS+  81 - QB    LYS+  81   2.30 +/- 0.06  99.900% * 98.6830% (1.00   4.97 109.60) = 100.000%  kept
        T HA    ARG+  54 - HB3   PRO   52   7.42 +/- 0.14   0.091% *  0.0294% (0.07   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    LYS+  81  13.89 +/- 0.36   0.002% *  0.0695% (0.18   0.02   0.02) =   0.000%
        T HA    ARG+  54 - QB    LYS+  81  20.06 +/- 0.89   0.000% *  0.2567% (0.65   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   PRO   52  11.93 +/- 0.90   0.006% *  0.0070% (0.02   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  81  24.52 +/- 0.31   0.000% *  0.3889% (0.98   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HB3   PRO   52  19.65 +/- 0.86   0.000% *  0.0455% (0.11   0.02   0.02) =   0.000%
        T HA    LEU  115 - QB    LYS+  81  24.41 +/- 0.26   0.000% *  0.0612% (0.15   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    LYS+  81  34.56 +/- 0.63   0.000% *  0.3032% (0.76   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   PRO   52  25.97 +/- 0.81   0.000% *  0.0348% (0.09   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    LYS+  81  28.87 +/- 0.31   0.000% *  0.0612% (0.15   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB3   PRO   52  22.10 +/- 0.72   0.000% *  0.0070% (0.02   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   PRO   52  33.08 +/- 0.98   0.000% *  0.0446% (0.11   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   PRO   52  25.52 +/- 1.10   0.000% *  0.0080% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 5.31, residual support = 109.6:
    * O T QG    LYS+  81 - QB    LYS+  81   2.09 +/- 0.02  99.982% * 99.0232% (1.00   5.31 109.60) = 100.000%  kept
          HB3   LYS+ 111 - HB3   PRO   52   9.49 +/- 0.76   0.013% *  0.0085% (0.02   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  81  15.42 +/- 0.64   0.001% *  0.0830% (0.22   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+  81  20.00 +/- 0.65   0.000% *  0.3115% (0.84   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - QB    LYS+  81  20.95 +/- 0.75   0.000% *  0.3696% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   PRO   52  11.76 +/- 0.98   0.004% *  0.0095% (0.03   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - HB3   PRO   52  17.44 +/- 1.37   0.000% *  0.0424% (0.11   0.02   0.02) =   0.000%
        T QG    LYS+  81 - HB3   PRO   52  18.38 +/- 0.72   0.000% *  0.0428% (0.11   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  81  23.28 +/- 0.43   0.000% *  0.0738% (0.20   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HB3   PRO   52  27.55 +/- 1.31   0.000% *  0.0357% (0.10   0.02   0.02) =   0.000%
    Distance limit 2.60 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 = 109.6:
    * O T QD    LYS+  81 - QB    LYS+  81   2.12 +/- 0.17  99.998% * 98.5097% (1.00   3.74 109.60) = 100.000%  kept
          HB    VAL   43 - QB    LYS+  81  15.62 +/- 0.42   0.001% *  0.5217% (0.99   0.02   0.02) =   0.000%
          HB    VAL   43 - HB3   PRO   52  16.36 +/- 1.00   0.001% *  0.0598% (0.11   0.02   0.02) =   0.000%
          HB3   GLN   17 - QB    LYS+  81  22.19 +/- 0.61   0.000% *  0.2360% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    LYS+  81  25.49 +/- 0.81   0.000% *  0.5251% (1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HB3   PRO   52  19.24 +/- 0.91   0.000% *  0.0604% (0.11   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   PRO   52  21.60 +/- 0.90   0.000% *  0.0271% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   52  25.24 +/- 1.39   0.000% *  0.0602% (0.11   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 958 (3.11, 1.87, 32.96 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 109.6:
    *     QE    LYS+  81 - QB    LYS+  81   2.86 +/- 0.45  99.927% * 99.8347% (1.00   3.74 109.60) = 100.000%  kept
          HB3   TRP   49 - QB    LYS+  81  13.69 +/- 1.23   0.013% *  0.0934% (0.18   0.02   0.02) =   0.000%
          HB3   TRP   49 - HB3   PRO   52  11.38 +/- 1.29   0.057% *  0.0107% (0.02   0.02   0.02) =   0.000%
          QE    LYS+  81 - HB3   PRO   52  17.94 +/- 0.81   0.002% *  0.0612% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.94 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 = 5.27, residual support = 109.6:
    * O T HA    LYS+  81 - QG    LYS+  81   2.51 +/- 0.13  99.850% * 97.9259% (1.00   5.27 109.60) = 100.000%  kept
          HA    GLU-  36 - HG2   LYS+  33   8.88 +/- 0.43   0.054% *  0.1743% (0.47   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+  33   8.66 +/- 0.33   0.063% *  0.0312% (0.08   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+ 106  10.36 +/- 0.55   0.023% *  0.0126% (0.03   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    LYS+  81  13.81 +/- 0.49   0.004% *  0.0651% (0.18   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    LYS+  81  18.37 +/- 0.95   0.001% *  0.2403% (0.65   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+ 106  17.58 +/- 0.96   0.001% *  0.0625% (0.17   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+  33  21.56 +/- 0.41   0.000% *  0.1779% (0.48   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  81  24.36 +/- 0.46   0.000% *  0.3641% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   LYS+ 106  20.24 +/- 0.83   0.000% *  0.0801% (0.22   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+ 106  19.60 +/- 0.99   0.000% *  0.0529% (0.14   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+ 106  21.16 +/- 0.85   0.000% *  0.0817% (0.22   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+  33  18.85 +/- 1.39   0.001% *  0.0274% (0.07   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+ 106  17.17 +/- 1.11   0.001% *  0.0143% (0.04   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+  33  24.57 +/- 0.84   0.000% *  0.1151% (0.31   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+  33  26.36 +/- 1.77   0.000% *  0.1359% (0.37   0.02   0.02) =   0.000%
          HA    LEU  115 - QG    LYS+  81  23.47 +/- 0.34   0.000% *  0.0573% (0.15   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+ 106  19.01 +/- 0.57   0.001% *  0.0126% (0.03   0.02   0.02) =   0.000%
          HA    ALA  124 - QG    LYS+  81  33.70 +/- 0.59   0.000% *  0.2839% (0.76   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+  33  23.65 +/- 1.39   0.000% *  0.0274% (0.07   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG    LYS+  81  27.47 +/- 0.29   0.000% *  0.0573% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 0.815, support = 5.39, residual support = 122.2:
    * O T QB    LYS+  81 - QG    LYS+  81   2.09 +/- 0.02  45.515% * 56.6214% (1.00   5.31 109.60) =  68.904%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.22 +/- 0.02  31.999% * 27.9490% (0.46   5.67 155.97) =  23.912%  kept
      O T QB    LYS+ 106 - HG2   LYS+ 106   2.38 +/- 0.11  21.897% * 12.2689% (0.22   5.24 131.09) =   7.183%  kept
          HB    ILE  103 - HG2   LYS+ 106   5.21 +/- 0.79   0.275% *  0.0392% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  33   5.39 +/- 0.25   0.164% *  0.0383% (0.18   0.02   0.79) =   0.000%
          HB3   ASP- 105 - HG2   LYS+ 106   5.57 +/- 0.39   0.140% *  0.0421% (0.20   0.02  21.37) =   0.000%
          HB3   GLN   90 - QG    LYS+  81  10.32 +/- 0.60   0.003% *  0.2113% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.79 +/- 1.12   0.002% *  0.0578% (0.27   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  13.29 +/- 2.07   0.001% *  0.0532% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  14.93 +/- 0.58   0.000% *  0.0800% (0.38   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  17.55 +/- 0.57   0.000% *  0.2058% (0.97   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  18.11 +/- 1.16   0.000% *  0.1850% (0.87   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  16.06 +/- 1.38   0.000% *  0.0817% (0.38   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  18.42 +/- 0.53   0.000% *  0.2128% (1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  14.25 +/- 0.85   0.001% *  0.0341% (0.16   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  18.64 +/- 0.53   0.000% *  0.1548% (0.73   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  18.56 +/- 1.23   0.000% *  0.1019% (0.48   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  13.07 +/- 0.77   0.001% *  0.0117% (0.05   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.47 +/- 1.51   0.000% *  0.0853% (0.40   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  19.13 +/- 1.60   0.000% *  0.0916% (0.43   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  17.01 +/- 0.84   0.000% *  0.0453% (0.21   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  20.00 +/- 0.65   0.000% *  0.1021% (0.48   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  22.41 +/- 0.66   0.000% *  0.1781% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  16.66 +/- 0.83   0.000% *  0.0266% (0.12   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  23.93 +/- 0.47   0.000% *  0.1912% (0.90   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  16.57 +/- 1.17   0.000% *  0.0176% (0.08   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  19.54 +/- 1.20   0.000% *  0.0465% (0.22   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QG    LYS+  81  18.38 +/- 0.72   0.000% *  0.0329% (0.15   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  20.95 +/- 0.75   0.000% *  0.0469% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  20.82 +/- 1.21   0.000% *  0.0376% (0.18   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  21.58 +/- 1.08   0.000% *  0.0407% (0.19   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  23.92 +/- 1.10   0.000% *  0.0741% (0.35   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 106  16.39 +/- 0.52   0.000% *  0.0072% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  26.43 +/- 0.92   0.000% *  0.1207% (0.57   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  25.57 +/- 1.05   0.000% *  0.0886% (0.42   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  28.41 +/- 0.43   0.000% *  0.1707% (0.80   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+ 106  17.44 +/- 1.37   0.000% *  0.0072% (0.03   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  27.09 +/- 0.63   0.000% *  0.1012% (0.47   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  18.28 +/- 0.78   0.000% *  0.0063% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  23.63 +/- 0.46   0.000% *  0.0289% (0.14   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  23.59 +/- 1.94   0.000% *  0.0255% (0.12   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+  33  23.55 +/- 1.67   0.000% *  0.0158% (0.07   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  24.30 +/- 1.11   0.000% *  0.0138% (0.06   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  81  29.95 +/- 0.48   0.000% *  0.0329% (0.15   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+  33  27.55 +/- 1.31   0.000% *  0.0158% (0.07   0.02   0.02) =   0.000%
    Distance limit 2.52 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 = 4.13, residual support = 109.6:
    * O T QD    LYS+  81 - QG    LYS+  81   2.07 +/- 0.01  99.953% * 97.7128% (1.00   4.13 109.60) = 100.000%  kept
          HB    VAL   43 - HG2   LYS+ 106   8.24 +/- 1.04   0.035% *  0.1031% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+ 106  10.32 +/- 0.50   0.007% *  0.1038% (0.22   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+  33  13.04 +/- 1.03   0.002% *  0.2243% (0.47   0.02   0.02) =   0.000%
          HB    VAL   43 - QG    LYS+  81  14.96 +/- 0.45   0.001% *  0.4685% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+  33  14.46 +/- 1.91   0.001% *  0.2258% (0.48   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+  33  13.45 +/- 1.49   0.002% *  0.1015% (0.21   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG    LYS+  81  20.51 +/- 0.58   0.000% *  0.2119% (0.45   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+  33  21.04 +/- 0.67   0.000% *  0.2263% (0.48   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    LYS+  81  25.08 +/- 0.83   0.000% *  0.4716% (1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+ 106  22.25 +/- 0.94   0.000% *  0.1040% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 106  21.56 +/- 0.92   0.000% *  0.0466% (0.10   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 = 4.13, residual support = 109.6:
    * O   QE    LYS+  81 - QG    LYS+  81   2.14 +/- 0.19  99.996% * 99.5204% (1.00   4.13 109.60) = 100.000%  kept
          HB3   TRP   49 - QG    LYS+  81  12.24 +/- 1.16   0.004% *  0.0843% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+  33  21.06 +/- 1.11   0.000% *  0.2305% (0.48   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+ 106  21.62 +/- 0.98   0.000% *  0.1059% (0.22   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+ 106  24.10 +/- 1.46   0.000% *  0.0185% (0.04   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+  33  28.24 +/- 0.82   0.000% *  0.0404% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 109.6:
    *   T HA    LYS+  81 - QD    LYS+  81   3.66 +/- 0.52  99.971% * 98.3559% (1.00   3.44 109.60) = 100.000%  kept
          HA    ASN   28 - QD    LYS+  81  15.54 +/- 0.34   0.021% *  0.1001% (0.18   0.02   0.02) =   0.000%
          HA    ARG+  54 - QD    LYS+  81  19.36 +/- 1.14   0.005% *  0.3699% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  81  26.10 +/- 0.34   0.001% *  0.5605% (0.98   0.02   0.02) =   0.000%
          HA    LEU  115 - QD    LYS+  81  24.89 +/- 0.78   0.001% *  0.0882% (0.15   0.02   0.02) =   0.000%
          HA    ALA  124 - QD    LYS+  81  35.36 +/- 0.91   0.000% *  0.4370% (0.76   0.02   0.02) =   0.000%
          HA    LYS+  66 - QD    LYS+  81  29.09 +/- 0.65   0.000% *  0.0882% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 965 (1.87, 1.77, 29.62 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 109.6:
    * O T QB    LYS+  81 - QD    LYS+  81   2.12 +/- 0.17  99.986% * 95.5509% (1.00   3.74 109.60) = 100.000%  kept
          HB3   GLN   90 - QD    LYS+  81  10.65 +/- 0.76   0.010% *  0.5060% (0.99   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  81  14.37 +/- 2.01   0.002% *  0.1273% (0.25   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  81  18.96 +/- 1.30   0.000% *  0.4428% (0.87   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  81  19.11 +/- 0.60   0.000% *  0.4927% (0.97   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  81  19.77 +/- 0.70   0.000% *  0.5094% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  81  16.73 +/- 0.52   0.000% *  0.1916% (0.38   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  81  19.82 +/- 0.89   0.000% *  0.3707% (0.73   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  81  24.03 +/- 0.68   0.000% *  0.4264% (0.84   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QD    LYS+  81  19.24 +/- 0.91   0.000% *  0.0788% (0.15   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  81  25.59 +/- 0.73   0.000% *  0.4578% (0.90   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  81  28.24 +/- 0.90   0.000% *  0.2890% (0.57   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  81  30.12 +/- 0.59   0.000% *  0.4088% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  81  24.90 +/- 0.78   0.000% *  0.0691% (0.14   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  81  31.56 +/- 0.81   0.000% *  0.0788% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.51 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 = 4.13, residual support = 109.6:
    * O T QG    LYS+  81 - QD    LYS+  81   2.07 +/- 0.01  99.999% * 98.9248% (1.00   4.13 109.60) = 100.000%  kept
          HD3   LYS+  74 - QD    LYS+  81  15.23 +/- 0.99   0.001% *  0.1065% (0.22   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  81  21.04 +/- 0.67   0.000% *  0.3997% (0.84   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - QD    LYS+  81  22.25 +/- 0.94   0.000% *  0.4743% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  81  23.76 +/- 0.94   0.000% *  0.0947% (0.20   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 = 109.6:
    * O   QE    LYS+  81 - QD    LYS+  81   2.09 +/- 0.03  99.997% * 99.8834% (1.00   3.00 109.60) = 100.000%  kept
          HB3   TRP   49 - QD    LYS+  81  12.36 +/- 1.56   0.003% *  0.1166% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 109.6:
    *   T HA    LYS+  81 - QE    LYS+  81   3.58 +/- 0.23  99.975% * 98.3559% (1.00   3.44 109.60) = 100.000%  kept
          HA    ARG+  54 - QE    LYS+  81  18.14 +/- 1.22   0.007% *  0.3699% (0.65   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    LYS+  81  15.76 +/- 0.82   0.016% *  0.1001% (0.18   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  81  26.26 +/- 0.86   0.001% *  0.5605% (0.98   0.02   0.02) =   0.000%
          HA    LEU  115 - QE    LYS+  81  23.86 +/- 0.64   0.001% *  0.0882% (0.15   0.02   0.02) =   0.000%
          HA    ALA  124 - QE    LYS+  81  34.55 +/- 0.84   0.000% *  0.4370% (0.76   0.02   0.02) =   0.000%
          HA    LYS+  66 - QE    LYS+  81  28.32 +/- 1.01   0.000% *  0.0882% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 973 (3.11, 3.11, 42.12 ppm):
    1 diagonal assignment:
    *     QE    LYS+  81 - QE    LYS+  81  (1.00)  kept
 
    Peak 974 (4.20, 4.20, 61.23 ppm):
    2 diagonal assignments:
    *     HA    SER   82 - HA    SER   82  (1.00)  kept
          HA    GLU-  25 - HA    GLU-  25  (0.20)  kept
 
    Peak 975 (3.99, 4.20, 61.23 ppm):
    20 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 34.9:
    * O T HB2   SER   82 - HA    SER   82   2.68 +/- 0.15  99.085% * 94.1983% (0.95   2.96  34.89) =  99.998%  kept
          HA    GLU-  29 - HA    GLU-  25   6.26 +/- 0.27   0.655% *  0.1892% (0.28   0.02   0.12) =   0.001%
          HA    ALA   88 - HA    SER   82   8.39 +/- 0.11   0.112% *  0.5147% (0.76   0.02   0.02) =   0.001%
        T HB2   SER   82 - HA    GLU-  25   8.64 +/- 0.67   0.109% *  0.2064% (0.31   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    GLU-  25  10.93 +/- 0.25   0.023% *  0.1584% (0.24   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    GLU-  25  12.91 +/- 0.30   0.008% *  0.1584% (0.24   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    SER   82  16.49 +/- 0.44   0.002% *  0.5842% (0.87   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    SER   82  17.25 +/- 0.88   0.001% *  0.6371% (0.95   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   82  19.13 +/- 0.43   0.001% *  0.4891% (0.73   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    GLU-  25  17.36 +/- 0.26   0.001% *  0.1957% (0.29   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    SER   82  21.84 +/- 0.35   0.000% *  0.6040% (0.90   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    GLU-  25  18.48 +/- 0.60   0.001% *  0.1667% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   82  22.11 +/- 0.48   0.000% *  0.4891% (0.73   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    SER   82  22.56 +/- 1.00   0.000% *  0.3543% (0.53   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    GLU-  25  20.83 +/- 0.55   0.000% *  0.2064% (0.31   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    GLU-  25  20.25 +/- 0.36   0.001% *  0.0897% (0.13   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    SER   82  26.30 +/- 0.39   0.000% *  0.2769% (0.41   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   82  31.30 +/- 0.43   0.000% *  0.2769% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    GLU-  25  27.64 +/- 1.11   0.000% *  0.1148% (0.17   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    GLU-  25  31.58 +/- 0.62   0.000% *  0.0897% (0.13   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 34.9:
    * O T HB3   SER   82 - HA    SER   82   2.99 +/- 0.04  99.645% * 93.7438% (1.00   2.00  34.89) =  99.999%  kept
        T HB3   SER   82 - HA    GLU-  25   8.55 +/- 0.58   0.203% *  0.3037% (0.32   0.02   0.02) =   0.001%
          HA    ILE   89 - HA    SER   82  10.79 +/- 0.11   0.045% *  0.6439% (0.69   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    GLU-  25   9.57 +/- 0.21   0.094% *  0.1719% (0.18   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   82  18.32 +/- 0.43   0.002% *  0.5307% (0.57   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    GLU-  25  16.99 +/- 0.39   0.003% *  0.2086% (0.22   0.02   0.02) =   0.000%
          HB    THR   39 - HA    GLU-  25  18.41 +/- 0.79   0.002% *  0.2536% (0.27   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   82  21.80 +/- 0.72   0.001% *  0.6064% (0.65   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    GLU-  25  18.89 +/- 0.77   0.002% *  0.2086% (0.22   0.02   0.02) =   0.000%
          QB    SER   13 - HA    GLU-  25  20.71 +/- 2.19   0.001% *  0.2634% (0.28   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   82  25.45 +/- 0.80   0.000% *  0.7830% (0.84   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   82  25.00 +/- 0.58   0.000% *  0.6439% (0.69   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    SER   82  20.71 +/- 0.69   0.001% *  0.1855% (0.20   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   82  28.11 +/- 1.45   0.000% *  0.8132% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   82  27.45 +/- 0.51   0.000% *  0.2893% (0.31   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    GLU-  25  26.78 +/- 0.83   0.000% *  0.1964% (0.21   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    GLU-  25  23.94 +/- 0.44   0.000% *  0.0601% (0.06   0.02   0.02) =   0.000%
          HB    THR  118 - HA    GLU-  25  27.71 +/- 0.50   0.000% *  0.0937% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 34.9:
    * O T HA    SER   82 - HB2   SER   82   2.68 +/- 0.15  99.707% * 97.6118% (0.95   2.96  34.89) =  99.999%  kept
        T HA    GLU-  25 - HB2   SER   82   8.64 +/- 0.67   0.109% *  0.4004% (0.57   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    SER   48   8.37 +/- 1.06   0.154% *  0.0635% (0.09   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    VAL   70  11.78 +/- 0.26   0.015% *  0.0860% (0.12   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    SER   48  17.25 +/- 0.88   0.002% *  0.3625% (0.52   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    SER   48  15.18 +/- 0.84   0.003% *  0.1360% (0.19   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    VAL   70  13.46 +/- 0.27   0.007% *  0.0637% (0.09   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   SER   82  17.97 +/- 0.56   0.001% *  0.2478% (0.36   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    SER   48  20.83 +/- 0.55   0.000% *  0.2199% (0.32   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    SER   48  19.02 +/- 1.12   0.001% *  0.1008% (0.14   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    VAL   70  20.25 +/- 0.36   0.001% *  0.1390% (0.20   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   SER   82  21.32 +/- 0.86   0.000% *  0.1156% (0.17   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    VAL   70  26.30 +/- 0.39   0.000% *  0.2292% (0.33   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    VAL   70  21.29 +/- 0.58   0.000% *  0.0401% (0.06   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB2   SER   82  28.69 +/- 0.66   0.000% *  0.1836% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.99, 3.99, 61.93 ppm):
    3 diagonal assignments:
    *     HB2   SER   82 - HB2   SER   82  (0.89)  kept
          HA    SER   48 - HA    SER   48  (0.49)  kept
          HA    VAL   70 - HA    VAL   70  (0.14)  kept
 
    Peak 979 (3.85, 3.99, 61.93 ppm):
    27 chemical-shift based assignments, quality = 0.946, support = 2.37, residual support = 34.9:
    * O T HB3   SER   82 - HB2   SER   82   1.75 +/- 0.00  99.482% * 92.2110% (0.95   2.37  34.89) =  99.999%  kept
          HB    THR   39 - HA    VAL   70   4.56 +/- 0.49   0.378% *  0.2261% (0.27   0.02   0.02) =   0.001%
          HB2   CYS   53 - HA    SER   48   6.00 +/- 1.10   0.105% *  0.0847% (0.10   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    VAL   70   7.24 +/- 0.34   0.021% *  0.1859% (0.23   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    SER   48   8.36 +/- 0.69   0.009% *  0.2769% (0.34   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   82  11.99 +/- 0.28   0.001% *  0.5355% (0.65   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    VAL   70  11.27 +/- 0.36   0.001% *  0.1533% (0.19   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   48  12.99 +/- 0.76   0.001% *  0.2940% (0.36   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    VAL   70  13.34 +/- 1.60   0.001% *  0.2348% (0.28   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   SER   82  15.96 +/- 0.48   0.000% *  0.4414% (0.54   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    SER   48  16.86 +/- 0.75   0.000% *  0.4281% (0.52   0.02   0.02) =   0.000%
          HB    THR  118 - HA    VAL   70  15.68 +/- 0.45   0.000% *  0.0835% (0.10   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HB2   SER   82  22.33 +/- 0.91   0.000% *  0.5043% (0.61   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   SER   82  23.37 +/- 0.76   0.000% *  0.6512% (0.79   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   SER   82  22.76 +/- 0.62   0.000% *  0.5355% (0.65   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   48  21.50 +/- 0.74   0.000% *  0.2423% (0.29   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   SER   82  26.22 +/- 1.53   0.000% *  0.6762% (0.82   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   48  24.13 +/- 1.26   0.000% *  0.3713% (0.45   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   SER   82  20.77 +/- 0.79   0.000% *  0.1543% (0.19   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   48  20.48 +/- 0.64   0.000% *  0.1321% (0.16   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    VAL   70  23.65 +/- 0.52   0.000% *  0.2707% (0.33   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   48  26.04 +/- 0.93   0.000% *  0.3575% (0.43   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   48  27.10 +/- 0.73   0.000% *  0.2940% (0.36   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    VAL   70  25.62 +/- 0.94   0.000% *  0.1859% (0.23   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   82  26.78 +/- 0.73   0.000% *  0.2406% (0.29   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    VAL   70  26.17 +/- 0.71   0.000% *  0.1751% (0.21   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    VAL   70  22.53 +/- 0.72   0.000% *  0.0536% (0.07   0.02   0.02) =   0.000%
    Distance limit 2.50 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 = 34.9:
    * O T HA    SER   82 - HB3   SER   82   2.99 +/- 0.04  99.793% * 98.5853% (1.00   2.00  34.89) =  99.999%  kept
        T HA    GLU-  25 - HB3   SER   82   8.55 +/- 0.58   0.203% *  0.5980% (0.61   0.02   0.02) =   0.001%
          HA    ILE   19 - HB3   SER   82  17.33 +/- 0.26   0.003% *  0.3700% (0.38   0.02   0.02) =   0.000%
        T HA    CYS   53 - HB3   SER   82  20.60 +/- 0.73   0.001% *  0.1727% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB3   SER   82  27.89 +/- 0.42   0.000% *  0.2741% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (3.99, 3.85, 61.93 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.37, residual support = 34.9:
    * O T HB2   SER   82 - HB3   SER   82   1.75 +/- 0.00  99.997% * 94.6895% (0.95   2.37  34.89) = 100.000%  kept
          HA    ALA   88 - HB3   SER   82  10.21 +/- 0.11   0.003% *  0.6467% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB3   SER   82  13.70 +/- 0.43   0.000% *  0.7341% (0.87   0.02   0.02) =   0.000%
        T HA    SER   48 - HB3   SER   82  16.86 +/- 0.75   0.000% *  0.8005% (0.95   0.02   0.02) =   0.000%
          HA    GLN   32 - HB3   SER   82  16.41 +/- 0.53   0.000% *  0.6145% (0.73   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   SER   82  19.45 +/- 0.39   0.000% *  0.7590% (0.90   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   82  19.25 +/- 0.52   0.000% *  0.6145% (0.73   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HB3   SER   82  22.52 +/- 1.15   0.000% *  0.4452% (0.53   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   82  23.65 +/- 0.52   0.000% *  0.3479% (0.41   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   82  29.86 +/- 0.65   0.000% *  0.3479% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.43 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   2.84 +/- 0.27  99.987% * 97.0068% (0.90   3.97  87.28) = 100.000%  kept
        T HD2   LYS+  74 - HA    VAL   83  15.59 +/- 0.96   0.004% *  0.4166% (0.76   0.02   0.02) =   0.000%
        T QB    ALA   57 - HA    VAL   83  18.06 +/- 0.41   0.002% *  0.2444% (0.45   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    VAL   83  19.06 +/- 1.30   0.001% *  0.2046% (0.38   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    VAL   83  17.42 +/- 0.38   0.002% *  0.1214% (0.22   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    VAL   83  22.40 +/- 0.52   0.000% *  0.4166% (0.76   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    VAL   83  18.48 +/- 0.67   0.002% *  0.1079% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    VAL   83  25.83 +/- 0.65   0.000% *  0.5261% (0.97   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    VAL   83  25.83 +/- 0.54   0.000% *  0.5157% (0.95   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    VAL   83  24.36 +/- 0.93   0.000% *  0.2241% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    VAL   83  31.29 +/- 0.69   0.000% *  0.1079% (0.20   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    VAL   83  32.53 +/- 0.63   0.000% *  0.1079% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.77 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   2.43 +/- 0.26  98.721% * 98.0792% (0.87   4.24  87.28) =  99.995%  kept
          QD2   LEU   80 - HA    VAL   83   5.49 +/- 0.38   0.932% *  0.4270% (0.80   0.02   0.02) =   0.004%
          QG2   ILE   89 - HA    VAL   83   6.45 +/- 0.11   0.332% *  0.1330% (0.25   0.02   0.14) =   0.000%
          QD1   LEU   73 - HA    VAL   83  11.18 +/- 0.24   0.013% *  0.2192% (0.41   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   83  19.70 +/- 0.44   0.000% *  0.5147% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   83  18.07 +/- 0.50   0.001% *  0.2192% (0.41   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   83  20.97 +/- 0.47   0.000% *  0.4076% (0.76   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 4.42, residual support = 87.3:
    * O T QG2   VAL   83 - HA    VAL   83   2.62 +/- 0.32  98.002% * 99.2703% (1.00   4.42  87.28) =  99.992%  kept
          QD1   ILE   89 - HA    VAL   83   5.20 +/- 0.11   1.962% *  0.4032% (0.90   0.02   0.14) =   0.008%
          QD2   LEU   31 - HA    VAL   83  10.06 +/- 0.35   0.037% *  0.3265% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.02 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   2.84 +/- 0.27  99.995% * 98.6893% (0.90   3.97  87.28) = 100.000%  kept
          HB2   CYS   53 - HB    VAL   83  16.70 +/- 0.74   0.003% *  0.2230% (0.40   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB    VAL   83  21.36 +/- 0.57   0.001% *  0.4930% (0.89   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB    VAL   83  21.46 +/- 0.64   0.001% *  0.4963% (0.89   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB    VAL   83  21.02 +/- 0.56   0.001% *  0.0984% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.96 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   2.14 +/- 0.01  94.380% * 98.1021% (0.78   4.29  87.28) =  99.975%  kept
          QD2   LEU   80 - HB    VAL   83   3.83 +/- 0.84   5.288% *  0.4220% (0.72   0.02   0.02) =   0.024%
          QG2   ILE   89 - HB    VAL   83   5.58 +/- 0.37   0.319% *  0.1314% (0.22   0.02   0.14) =   0.000%
          QD1   LEU   73 - HB    VAL   83   9.46 +/- 0.33   0.013% *  0.2166% (0.37   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   83  18.55 +/- 0.57   0.000% *  0.5085% (0.87   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   83  16.29 +/- 0.53   0.000% *  0.2166% (0.37   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   83  19.30 +/- 0.50   0.000% *  0.4027% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 4.48, residual support = 87.3:
    * O T QG2   VAL   83 - HB    VAL   83   2.12 +/- 0.02  99.231% * 99.2801% (0.90   4.48  87.28) =  99.997%  kept
          QD1   ILE   89 - HB    VAL   83   4.99 +/- 0.46   0.747% *  0.3978% (0.80   0.02   0.14) =   0.003%
          QD2   LEU   31 - HB    VAL   83   8.70 +/- 0.44   0.022% *  0.3221% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.10 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   2.43 +/- 0.26  99.994% * 98.7724% (0.87   4.24  87.28) = 100.000%  kept
          HB2   CYS   53 - QG1   VAL   83  15.02 +/- 0.83   0.003% *  0.2089% (0.39   0.02   0.02) =   0.000%
          HA    GLU- 100 - QG1   VAL   83  16.89 +/- 0.79   0.001% *  0.4648% (0.87   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG1   VAL   83  18.59 +/- 0.75   0.001% *  0.4617% (0.86   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   83  16.51 +/- 0.81   0.001% *  0.0922% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.05 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   2.14 +/- 0.01  99.989% * 97.2265% (0.78   4.29  87.28) = 100.000%  kept
          HD2   LYS+  74 - QG1   VAL   83  11.32 +/- 0.85   0.005% *  0.3860% (0.66   0.02   0.02) =   0.000%
          QB    ALA   57 - QG1   VAL   83  14.02 +/- 0.62   0.001% *  0.2265% (0.39   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG1   VAL   83  14.98 +/- 1.27   0.001% *  0.1896% (0.33   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG1   VAL   83  13.35 +/- 0.63   0.002% *  0.1000% (0.17   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG1   VAL   83  17.07 +/- 0.76   0.000% *  0.3860% (0.66   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG1   VAL   83  14.18 +/- 0.75   0.001% *  0.1125% (0.19   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG1   VAL   83  19.76 +/- 0.49   0.000% *  0.4778% (0.82   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG1   VAL   83  20.23 +/- 0.69   0.000% *  0.4875% (0.84   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG1   VAL   83  20.13 +/- 0.94   0.000% *  0.2077% (0.36   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG1   VAL   83  24.54 +/- 0.73   0.000% *  0.1000% (0.17   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG1   VAL   83  25.50 +/- 0.67   0.000% *  0.1000% (0.17   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 4.77, residual support = 87.3:
    * O T QG2   VAL   83 - QG1   VAL   83   2.08 +/- 0.03  98.927% * 99.3238% (0.87   4.77  87.28) =  99.996%  kept
        T QD1   ILE   89 - QG1   VAL   83   4.93 +/- 0.53   0.957% *  0.3737% (0.78   0.02   0.14) =   0.004%
          QD2   LEU   31 - QG1   VAL   83   6.46 +/- 0.32   0.116% *  0.3026% (0.63   0.02   0.02) =   0.000%
    Distance limit 2.63 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 = 4.42, residual support = 87.3:
    * O T HA    VAL   83 - QG2   VAL   83   2.62 +/- 0.32  99.987% * 98.8205% (1.00   4.42  87.28) = 100.000%  kept
          HB2   CYS   53 - QG2   VAL   83  13.54 +/- 0.81   0.009% *  0.2007% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG2   VAL   83  17.28 +/- 0.59   0.002% *  0.4436% (0.99   0.02   0.02) =   0.000%
          HA    GLU- 100 - QG2   VAL   83  17.32 +/- 0.51   0.001% *  0.4466% (1.00   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG2   VAL   83  17.13 +/- 0.74   0.001% *  0.0886% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 4.48, residual support = 87.3:
    * O T HB    VAL   83 - QG2   VAL   83   2.12 +/- 0.02  99.985% * 97.3374% (0.90   4.48  87.28) = 100.000%  kept
          HD2   LYS+  74 - QG2   VAL   83  10.60 +/- 1.00   0.008% *  0.3706% (0.76   0.02   0.02) =   0.000%
          QB    ALA   57 - QG2   VAL   83  13.05 +/- 0.53   0.002% *  0.2174% (0.45   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG2   VAL   83  12.31 +/- 0.46   0.003% *  0.1080% (0.22   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG2   VAL   83  14.84 +/- 1.19   0.001% *  0.1820% (0.38   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG2   VAL   83  17.66 +/- 0.58   0.000% *  0.3706% (0.76   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG2   VAL   83  14.45 +/- 0.63   0.001% *  0.0960% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG2   VAL   83  19.17 +/- 0.56   0.000% *  0.4680% (0.97   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG2   VAL   83  19.44 +/- 0.47   0.000% *  0.4587% (0.95   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG2   VAL   83  18.19 +/- 0.85   0.000% *  0.1994% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG2   VAL   83  23.65 +/- 0.59   0.000% *  0.0960% (0.20   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG2   VAL   83  24.68 +/- 0.53   0.000% *  0.0960% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 4.77, residual support = 87.3:
    * O T QG1   VAL   83 - QG2   VAL   83   2.08 +/- 0.03  94.090% * 98.2880% (0.87   4.77  87.28) =  99.984%  kept
          QD2   LEU   80 - QG2   VAL   83   3.95 +/- 0.47   3.049% *  0.3806% (0.80   0.02   0.02) =   0.013%
        T QG2   ILE   89 - QG2   VAL   83   3.78 +/- 0.32   2.824% *  0.1185% (0.25   0.02   0.14) =   0.004%
          QD1   LEU   73 - QG2   VAL   83   7.82 +/- 0.24   0.034% *  0.1954% (0.41   0.02   0.02) =   0.000%
          QD1   LEU  104 - QG2   VAL   83  14.76 +/- 0.34   0.001% *  0.4587% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   63 - QG2   VAL   83  12.96 +/- 0.44   0.002% *  0.1954% (0.41   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   83  15.36 +/- 0.42   0.001% *  0.3633% (0.76   0.02   0.02) =   0.000%
    Distance limit 2.77 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 = 2.88, residual support = 18.2:
    * O T QB    ALA   84 - HA    ALA   84   2.11 +/- 0.00  99.884% * 94.2762% (0.93   2.88  18.19) =  99.999%  kept
          HB3   LEU   80 - HA    ALA   84   6.90 +/- 0.72   0.112% *  0.4925% (0.70   0.02   0.02) =   0.001%
          HB3   PRO   93 - HA    ALA   84  14.21 +/- 0.32   0.001% *  0.6416% (0.91   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   84  15.09 +/- 0.21   0.001% *  0.6261% (0.89   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   84  17.75 +/- 1.10   0.000% *  0.6768% (0.96   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   84  16.42 +/- 0.63   0.000% *  0.3840% (0.55   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   84  14.42 +/- 0.62   0.001% *  0.1510% (0.21   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   84  17.15 +/- 0.82   0.000% *  0.2788% (0.40   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   84  21.51 +/- 0.29   0.000% *  0.5665% (0.81   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   84  19.76 +/- 0.60   0.000% *  0.3301% (0.47   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   84  19.20 +/- 0.32   0.000% *  0.1188% (0.17   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ALA   84  27.53 +/- 0.74   0.000% *  0.6723% (0.96   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   84  23.13 +/- 0.52   0.000% *  0.2093% (0.30   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   84  24.40 +/- 0.90   0.000% *  0.1691% (0.24   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   84  25.31 +/- 0.57   0.000% *  0.1691% (0.24   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   84  25.97 +/- 0.48   0.000% *  0.1188% (0.17   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   84  26.51 +/- 0.66   0.000% *  0.1188% (0.17   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 2.88, residual support = 18.2:
    * O T HA    ALA   84 - QB    ALA   84   2.11 +/- 0.00  99.992% * 97.3313% (0.93   2.88  18.19) = 100.000%  kept
          HB2   TRP   49 - QB    ALA   84  10.70 +/- 0.56   0.006% *  0.6987% (0.96   0.02   0.02) =   0.000%
          HA2   GLY  109 - QB    ALA   84  13.72 +/- 0.35   0.001% *  0.5849% (0.81   0.02   0.02) =   0.000%
          HA    THR  118 - QB    ALA   84  21.12 +/- 0.23   0.000% *  0.6987% (0.96   0.02   0.02) =   0.000%
          HA    ILE  119 - QB    ALA   84  21.37 +/- 0.28   0.000% *  0.6864% (0.95   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 0.999, support = 2.27, residual support = 18.0:
    * O T QB    SER   85 - HA    SER   85   2.40 +/- 0.01  74.200% * 94.9615% (1.00   2.27  18.02) =  99.915%  kept
          HA    ALA   88 - HA    SER   85   2.87 +/- 0.11  25.793% *  0.2321% (0.28   0.02   0.02) =   0.085%
        T QB    SER   48 - HA    SER   85  12.99 +/- 1.12   0.004% *  0.5064% (0.61   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   85  15.64 +/- 0.23   0.001% *  0.4064% (0.49   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HA    SER   85  19.43 +/- 0.90   0.000% *  0.4064% (0.49   0.02   0.02) =   0.000%
          HA    SER   48 - HA    SER   85  15.93 +/- 1.03   0.001% *  0.1130% (0.14   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER   85  20.90 +/- 0.28   0.000% *  0.2848% (0.34   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   85  23.35 +/- 0.56   0.000% *  0.2577% (0.31   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   85  31.11 +/- 0.39   0.000% *  0.8275% (0.99   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER   85  31.51 +/- 0.30   0.000% *  0.8349% (1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   85  33.98 +/- 0.25   0.000% *  0.6973% (0.84   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   85  27.06 +/- 0.30   0.000% *  0.1288% (0.15   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   85  32.37 +/- 0.33   0.000% *  0.3432% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 2.27, residual support = 18.0:
    * O T HA    SER   85 - QB    SER   85   2.40 +/- 0.01  95.791% * 91.7303% (1.00   2.27  18.02) =  99.986%  kept
          HA    ASP-  86 - QB    SER   85   4.12 +/- 0.02   3.704% *  0.3027% (0.38   0.02  13.42) =   0.013%
          HA    GLU-  79 - QB    SER   85   8.02 +/- 0.17   0.069% *  0.5540% (0.69   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER   48   7.39 +/- 0.76   0.150% *  0.1966% (0.24   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   48   6.90 +/- 0.58   0.193% *  0.1351% (0.17   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER   85   9.23 +/- 0.30   0.030% *  0.8065% (1.00   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   48   9.28 +/- 0.54   0.031% *  0.0957% (0.12   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   48  12.61 +/- 0.38   0.005% *  0.1949% (0.24   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER   48  12.99 +/- 1.12   0.005% *  0.1966% (0.24   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   85  16.47 +/- 0.23   0.001% *  0.7993% (0.99   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  11.33 +/- 1.02   0.010% *  0.0438% (0.05   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER  117  13.44 +/- 0.25   0.003% *  0.1233% (0.15   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER  117  14.16 +/- 0.36   0.002% *  0.1220% (0.15   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   85  21.24 +/- 0.53   0.000% *  0.7905% (0.98   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  19.83 +/- 0.48   0.000% *  0.3925% (0.49   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER   48  16.29 +/- 0.95   0.001% *  0.0738% (0.09   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  14.23 +/- 0.31   0.002% *  0.0277% (0.03   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.59 +/- 0.35   0.000% *  0.1795% (0.22   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER  117  20.56 +/- 0.33   0.000% *  0.1244% (0.15   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   85  26.13 +/- 0.54   0.000% *  0.4891% (0.61   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   48  22.47 +/- 0.43   0.000% *  0.1928% (0.24   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER  117  19.62 +/- 0.57   0.000% *  0.0755% (0.09   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  19.49 +/- 0.67   0.000% *  0.0606% (0.08   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   48  21.52 +/- 1.56   0.000% *  0.0607% (0.08   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   85  33.48 +/- 2.75   0.000% *  0.7905% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   85  27.75 +/- 0.95   0.000% *  0.2489% (0.31   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   48  28.52 +/- 3.01   0.000% *  0.1928% (0.24   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   48  25.53 +/- 0.77   0.000% *  0.1193% (0.15   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   85  32.08 +/- 1.91   0.000% *  0.3315% (0.41   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER  117  27.06 +/- 0.30   0.000% *  0.1244% (0.15   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   48  26.27 +/- 2.18   0.000% *  0.0808% (0.10   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER  117  25.94 +/- 0.34   0.000% *  0.0855% (0.11   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER  117  27.06 +/- 0.58   0.000% *  0.0467% (0.06   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER  117  32.45 +/- 2.18   0.000% *  0.1220% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER  117  26.62 +/- 0.53   0.000% *  0.0384% (0.05   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER  117  30.37 +/- 1.31   0.000% *  0.0512% (0.06   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 3.46, residual support = 41.6:
    * O T HB2   ASP-  86 - HA    ASP-  86   3.02 +/- 0.05  99.986% * 98.0489% (1.00   3.46  41.59) = 100.000%  kept
          HB2   ASN   28 - HA    ASP-  86  15.48 +/- 0.71   0.006% *  0.4536% (0.80   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASP-  86  14.92 +/- 0.27   0.007% *  0.1121% (0.20   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    ASP-  86  21.38 +/- 0.82   0.001% *  0.4732% (0.84   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  86  22.17 +/- 1.24   0.001% *  0.3892% (0.69   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  86  29.74 +/- 0.86   0.000% *  0.5230% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.44 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   2.63 +/- 0.14  99.993% * 96.7367% (1.00   2.00  41.59) = 100.000%  kept
          HB3   PHE   45 - HA    ASP-  86  13.71 +/- 0.33   0.005% *  0.4709% (0.49   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  86  20.72 +/- 0.79   0.000% *  0.9336% (0.97   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    ASP-  86  17.91 +/- 0.62   0.001% *  0.3300% (0.34   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    ASP-  86  26.04 +/- 0.63   0.000% *  0.4709% (0.49   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    ASP-  86  22.05 +/- 0.82   0.000% *  0.1493% (0.15   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HA    ASP-  86  30.56 +/- 0.31   0.000% *  0.7393% (0.76   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  86  26.28 +/- 0.82   0.000% *  0.1694% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 3.46, residual support = 41.6:
    * O T HA    ASP-  86 - HB2   ASP-  86   3.02 +/- 0.05  97.954% * 97.3677% (1.00   3.46  41.59) =  99.995%  kept
          HA    SER   85 - HB2   ASP-  86   5.83 +/- 0.23   1.972% *  0.2111% (0.38   0.02  13.42) =   0.004%
          HB    THR   77 - HB2   ASP-  86  10.24 +/- 0.30   0.066% *  0.2111% (0.38   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ASP-  86  15.50 +/- 0.30   0.005% *  0.2522% (0.45   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  86  18.65 +/- 0.64   0.002% *  0.1564% (0.28   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ASP-  86  22.78 +/- 0.66   0.001% *  0.4085% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   ASP-  86  30.24 +/- 1.30   0.000% *  0.5576% (0.99   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  86  35.09 +/- 2.02   0.000% *  0.5613% (1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   ASP-  86  36.61 +/- 2.83   0.000% *  0.2738% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 2.83, residual support = 41.6:
    * O T HB3   ASP-  86 - HB2   ASP-  86   1.75 +/- 0.00  99.998% * 97.6741% (1.00   2.83  41.59) = 100.000%  kept
          HB3   PHE   45 - HB2   ASP-  86  11.28 +/- 0.34   0.001% *  0.3356% (0.49   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   ASP-  86  15.04 +/- 0.63   0.000% *  0.2352% (0.34   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  86  18.98 +/- 0.90   0.000% *  0.6654% (0.97   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   ASP-  86  19.39 +/- 0.95   0.000% *  0.1064% (0.15   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   ASP-  86  23.90 +/- 0.65   0.000% *  0.3356% (0.49   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   ASP-  86  27.85 +/- 0.31   0.000% *  0.5269% (0.76   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  86  23.99 +/- 0.98   0.000% *  0.1208% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.61 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   2.63 +/- 0.14  99.030% * 95.5303% (1.00   2.00  41.59) =  99.996%  kept
          HA    SER   85 - HB3   ASP-  86   5.84 +/- 0.36   0.947% *  0.3585% (0.38   0.02  13.42) =   0.004%
          HB    THR   77 - HB3   ASP-  86  11.08 +/- 0.42   0.020% *  0.3585% (0.38   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   ASP-  86  16.44 +/- 0.64   0.002% *  0.4283% (0.45   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  86  19.42 +/- 0.87   0.001% *  0.2656% (0.28   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   ASP-  86  23.62 +/- 0.89   0.000% *  0.6937% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  86  30.43 +/- 1.10   0.000% *  0.9468% (0.99   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  86  35.24 +/- 1.96   0.000% *  0.9532% (1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  86  36.67 +/- 2.78   0.000% *  0.4650% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 2.83, residual support = 41.6:
    * O T HB2   ASP-  86 - HB3   ASP-  86   1.75 +/- 0.00  99.999% * 97.6266% (1.00   2.83  41.59) = 100.000%  kept
          HB2   ASN   28 - HB3   ASP-  86  13.31 +/- 0.95   0.001% *  0.5518% (0.80   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASP-  86  14.18 +/- 0.54   0.000% *  0.1364% (0.20   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB3   ASP-  86  19.05 +/- 0.76   0.000% *  0.5756% (0.84   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  86  20.05 +/- 1.33   0.000% *  0.4734% (0.69   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  86  27.93 +/- 0.87   0.000% *  0.6362% (0.92   0.02   0.02) =   0.000%
    Distance limit 2.59 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 = 69.8:
    * O T HB2   TRP   87 - HA    TRP   87   2.22 +/- 0.01 100.000% * 99.5425% (1.00   4.31  69.76) = 100.000%  kept
          HB2   PHE   60 - HA    TRP   87  22.42 +/- 0.44   0.000% *  0.4575% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1018 (2.50, 4.34, 57.63 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 69.8:
    * O T HB3   TRP   87 - HA    TRP   87   2.91 +/- 0.02  99.999% * 99.3295% (1.00   4.26  69.76) = 100.000%  kept
          HG2   GLU-  25 - HA    TRP   87  19.52 +/- 1.13   0.001% *  0.2088% (0.45   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    TRP   87  29.36 +/- 0.48   0.000% *  0.4617% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1019 (4.34, 3.41, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 69.8:
    * O T HA    TRP   87 - HB2   TRP   87   2.22 +/- 0.01 100.000% * 99.4497% (1.00   4.31  69.76) = 100.000%  kept
          HA    LEU  104 - HB2   TRP   87  21.94 +/- 0.57   0.000% *  0.1896% (0.41   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   TRP   87  24.68 +/- 0.37   0.000% *  0.2983% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   TRP   87  32.58 +/- 1.21   0.000% *  0.0624% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1020 (3.41, 3.41, 28.05 ppm):
    1 diagonal assignment:
    *     HB2   TRP   87 - HB2   TRP   87  (1.00)  kept
 
    Peak 1021 (2.50, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 69.8:
    * O T HB3   TRP   87 - HB2   TRP   87   1.75 +/- 0.00 100.000% * 99.2797% (1.00   3.97  69.76) = 100.000%  kept
          HG2   GLU-  25 - HB2   TRP   87  19.67 +/- 1.23   0.000% *  0.2243% (0.45   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   TRP   87  27.62 +/- 0.58   0.000% *  0.4959% (0.99   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1022 (4.34, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 69.8:
    * O T HA    TRP   87 - HB3   TRP   87   2.91 +/- 0.02  99.999% * 99.4435% (1.00   4.26  69.76) = 100.000%  kept
          HA    LEU  104 - HB3   TRP   87  21.70 +/- 0.57   0.001% *  0.1917% (0.41   0.02   0.02) =   0.000%
        T HA    PHE   59 - HB3   TRP   87  23.41 +/- 0.31   0.000% *  0.3017% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   TRP   87  31.24 +/- 1.17   0.000% *  0.0631% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1023 (3.41, 2.50, 28.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 69.8:
    * O T HB2   TRP   87 - HB3   TRP   87   1.75 +/- 0.00 100.000% * 99.5029% (1.00   3.97  69.76) = 100.000%  kept
          HB2   PHE   60 - HB3   TRP   87  19.59 +/- 0.47   0.000% *  0.4971% (0.99   0.02   0.02) =   0.000%
    Distance limit 2.72 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 = 1.88, residual support = 10.6:
    * O T QB    ALA   88 - HA    ALA   88   2.11 +/- 0.00  99.959% * 96.3030% (1.00   1.88  10.64) = 100.000%  kept
          QG2   THR   77 - HA    ALA   88   7.99 +/- 0.35   0.035% *  0.8200% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   88  10.89 +/- 0.65   0.006% *  0.2553% (0.25   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   88  20.42 +/- 0.71   0.000% *  0.3843% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   88  21.30 +/- 0.53   0.000% *  0.4591% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   88  29.25 +/- 0.75   0.000% *  0.7436% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   88  30.48 +/- 0.83   0.000% *  0.8553% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   88  25.32 +/- 0.44   0.000% *  0.1793% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 1.88, residual support = 10.6:
    * O T HA    ALA   88 - QB    ALA   88   2.11 +/- 0.00  99.697% * 94.4263% (1.00   1.88  10.64) =  99.999%  kept
          QB    SER   85 - QB    ALA   88   5.58 +/- 0.06   0.293% *  0.2792% (0.28   0.02   0.02) =   0.001%
        T HB2   SER   82 - QB    ALA   88  10.48 +/- 0.22   0.007% *  0.5685% (0.57   0.02   0.02) =   0.000%
        T HA    SER   48 - QB    ALA   88  13.81 +/- 0.86   0.001% *  0.9269% (0.92   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    ALA   88  14.72 +/- 0.76   0.001% *  0.9269% (0.92   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   88  21.87 +/- 0.80   0.000% *  1.0018% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   88  20.87 +/- 0.52   0.000% *  0.4502% (0.45   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    ALA   88  21.38 +/- 0.36   0.000% *  0.4887% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   88  24.42 +/- 0.71   0.000% *  0.3099% (0.31   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA   88  26.88 +/- 0.36   0.000% *  0.3425% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA   88  27.79 +/- 0.33   0.000% *  0.2792% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 211.0:
    * O T HB    ILE   89 - HA    ILE   89   3.01 +/- 0.01  99.907% * 99.4496% (0.80   5.44 211.03) = 100.000%  kept
          QD    LYS+  81 - HA    ILE   89  10.38 +/- 0.79   0.070% *  0.0800% (0.18   0.02   0.02) =   0.000%
        T HB    VAL   43 - HA    ILE   89  13.56 +/- 0.88   0.013% *  0.1017% (0.22   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    ILE   89  14.12 +/- 0.25   0.009% *  0.1269% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ILE   89  24.54 +/- 1.09   0.000% *  0.1714% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    ILE   89  24.50 +/- 0.98   0.000% *  0.0705% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 6.26, residual support = 211.0:
    * O T QG2   ILE   89 - HA    ILE   89   2.26 +/- 0.05  99.931% * 99.7830% (1.00   6.26 211.03) = 100.000%  kept
          QG1   VAL   83 - HA    ILE   89   8.05 +/- 0.75   0.069% *  0.1678% (0.53   0.02   0.14) =   0.000%
          QD1   LEU  104 - HA    ILE   89  20.80 +/- 0.75   0.000% *  0.0492% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 5.57, residual support = 211.0:
    * O T HG12  ILE   89 - HA    ILE   89   2.71 +/- 0.03  99.991% * 98.8385% (1.00   5.57 211.03) = 100.000%  kept
          HG2   LYS+  74 - HA    ILE   89  13.82 +/- 0.67   0.006% *  0.1592% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   89  16.67 +/- 0.54   0.002% *  0.3520% (0.99   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   89  23.58 +/- 1.60   0.000% *  0.1729% (0.49   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    ILE   89  22.44 +/- 0.59   0.000% *  0.1096% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    ILE   89  23.48 +/- 1.20   0.000% *  0.1333% (0.38   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   89  22.12 +/- 0.59   0.000% *  0.0886% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   89  25.96 +/- 1.04   0.000% *  0.1460% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1033 (3.87, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 211.0:
    * O T HA    ILE   89 - HB    ILE   89   3.01 +/- 0.01  99.738% * 97.8394% (0.80   5.44 211.03) = 100.000%  kept
          HB3   SER   82 - HB    ILE   89   8.92 +/- 0.20   0.148% *  0.2471% (0.55   0.02   0.02) =   0.000%
          HB    THR   39 - HB    VAL   43  12.94 +/- 0.87   0.017% *  0.0758% (0.17   0.02   0.02) =   0.000%
          HB    THR  118 - HB    VAL   43  12.66 +/- 0.25   0.018% *  0.0629% (0.14   0.02   0.02) =   0.000%
        T HA    ILE   89 - HB    VAL   43  13.56 +/- 0.88   0.013% *  0.0785% (0.17   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    ILE   89  13.99 +/- 0.90   0.011% *  0.0712% (0.16   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    VAL   43  14.28 +/- 0.61   0.009% *  0.0785% (0.17   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    VAL   43  14.11 +/- 0.81   0.010% *  0.0540% (0.12   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    VAL   43  11.89 +/- 0.60   0.028% *  0.0121% (0.03   0.02   0.02) =   0.000%
          HB    THR  118 - HB    ILE   89  20.66 +/- 0.19   0.001% *  0.2880% (0.64   0.02   0.02) =   0.000%
          HB    THR   39 - HB    ILE   89  24.28 +/- 0.87   0.000% *  0.3471% (0.77   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    ILE   89  24.86 +/- 0.77   0.000% *  0.3597% (0.80   0.02   0.02) =   0.000%
          QB    SER   13 - HB    VAL   43  20.35 +/- 1.11   0.001% *  0.0743% (0.17   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    ILE   89  19.45 +/- 0.67   0.001% *  0.0555% (0.12   0.02   0.02) =   0.000%
          QB    SER   13 - HB    ILE   89  27.73 +/- 1.02   0.000% *  0.3403% (0.76   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    VAL   43  17.37 +/- 0.78   0.003% *  0.0155% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 5.73, residual support = 211.0:
    * O T QG2   ILE   89 - HB    ILE   89   2.13 +/- 0.01  99.231% * 99.6356% (0.80   5.73 211.03) =  99.999%  kept
          QG1   VAL   83 - HB    ILE   89   5.95 +/- 0.86   0.717% *  0.1831% (0.42   0.02   0.14) =   0.001%
        T QG2   ILE   89 - HB    VAL   43   9.02 +/- 0.61   0.019% *  0.0760% (0.17   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB    VAL   43   8.56 +/- 0.49   0.025% *  0.0400% (0.09   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    VAL   43  10.35 +/- 0.32   0.008% *  0.0117% (0.03   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    ILE   89  20.04 +/- 0.33   0.000% *  0.0537% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 5.13, residual support = 211.0:
    * O T HG12  ILE   89 - HB    ILE   89   2.80 +/- 0.08  99.743% * 98.3881% (0.80   5.13 211.03) = 100.000%  kept
          HG2   LYS+  74 - HB    VAL   43   8.67 +/- 0.54   0.126% *  0.0375% (0.08   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   89  11.92 +/- 0.68   0.018% *  0.1719% (0.36   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    VAL   43  10.68 +/- 0.86   0.038% *  0.0314% (0.07   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    VAL   43  11.24 +/- 0.91   0.027% *  0.0408% (0.09   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HB    VAL   43  12.91 +/- 0.66   0.011% *  0.0837% (0.17   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    ILE   89  17.97 +/- 0.64   0.002% *  0.3801% (0.79   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    VAL   43  13.03 +/- 1.06   0.011% *  0.0344% (0.07   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    VAL   43  12.00 +/- 0.62   0.017% *  0.0209% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   43  16.43 +/- 0.52   0.003% *  0.0830% (0.17   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   89  21.36 +/- 1.43   0.001% *  0.1867% (0.39   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   89  19.68 +/- 0.39   0.001% *  0.0956% (0.20   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    ILE   89  21.38 +/- 0.97   0.001% *  0.1439% (0.30   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    ILE   89  22.83 +/- 0.64   0.000% *  0.1184% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   89  24.68 +/- 0.85   0.000% *  0.1577% (0.33   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    VAL   43  19.04 +/- 0.38   0.001% *  0.0258% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 6.26, residual support = 211.0:
    * O T HA    ILE   89 - QG2   ILE   89   2.26 +/- 0.05  99.960% * 98.5045% (1.00   6.26 211.03) = 100.000%  kept
          HB3   SER   82 - QG2   ILE   89   9.00 +/- 0.25   0.026% *  0.2162% (0.69   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   ILE   89  10.36 +/- 0.84   0.012% *  0.0623% (0.20   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   ILE   89  15.39 +/- 0.17   0.001% *  0.2521% (0.80   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   ILE   89  19.59 +/- 0.92   0.000% *  0.3038% (0.97   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   ILE   89  20.30 +/- 0.93   0.000% *  0.3148% (1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   ILE   89  16.28 +/- 0.84   0.001% *  0.0486% (0.15   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   ILE   89  22.87 +/- 0.90   0.000% *  0.2978% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 5.73, residual support = 211.0:
    * O T HB    ILE   89 - QG2   ILE   89   2.13 +/- 0.01  99.948% * 99.4771% (0.80   5.73 211.03) = 100.000%  kept
        T HB    VAL   43 - QG2   ILE   89   9.02 +/- 0.61   0.019% *  0.0966% (0.22   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   ILE   89   8.77 +/- 0.65   0.024% *  0.0760% (0.18   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG2   ILE   89  10.25 +/- 0.19   0.008% *  0.1206% (0.28   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - QG2   ILE   89  18.45 +/- 0.73   0.000% *  0.1628% (0.38   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QG2   ILE   89  18.43 +/- 0.63   0.000% *  0.0669% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1039 (0.63, 0.63, 17.89 ppm):
    1 diagonal assignment:
    *     QG2   ILE   89 - QG2   ILE   89  (1.00)  kept
 
    Peak 1040 (1.22, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.88, residual support = 211.0:
    * O T HG12  ILE   89 - QG2   ILE   89   3.06 +/- 0.07  99.819% * 98.8995% (1.00   5.88 211.03) = 100.000%  kept
          HG2   LYS+  74 - QG2   ILE   89   9.26 +/- 0.58   0.147% *  0.1508% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QG2   ILE   89  12.99 +/- 0.57   0.017% *  0.3335% (0.99   0.02   0.02) =   0.000%
          HG    LEU   71 - QG2   ILE   89  17.35 +/- 1.34   0.004% *  0.1638% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   71 - QG2   ILE   89  17.26 +/- 0.99   0.003% *  0.1263% (0.38   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG2   ILE   89  16.15 +/- 0.59   0.005% *  0.0839% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QG2   ILE   89  17.25 +/- 0.50   0.003% *  0.1038% (0.31   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG2   ILE   89  19.60 +/- 0.76   0.002% *  0.1383% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1041 (3.87, 1.22, 26.04 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.57, residual support = 211.0:
    * O T HA    ILE   89 - HG12  ILE   89   2.71 +/- 0.03  98.869% * 97.5181% (1.00   5.57 211.03) =  99.998%  kept
        T HB    THR   39 - HG3   LYS+  99   6.48 +/- 1.25   0.915% *  0.1371% (0.39   0.02   0.02) =   0.001%
          HB3   SER   37 - HG3   LYS+  99   8.63 +/- 1.49   0.148% *  0.1421% (0.41   0.02   0.02) =   0.000%
          HB3   SER   82 - HG12  ILE   89   9.53 +/- 0.45   0.055% *  0.2407% (0.69   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   LYS+  99  16.01 +/- 0.47   0.002% *  0.1138% (0.32   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG12  ILE   89  15.69 +/- 1.00   0.003% *  0.0693% (0.20   0.02   0.02) =   0.000%
          HB    THR  118 - HG12  ILE   89  21.26 +/- 0.20   0.000% *  0.2806% (0.80   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   LYS+  99  19.59 +/- 2.19   0.001% *  0.1344% (0.38   0.02   0.02) =   0.000%
          HA    GLN   30 - HG3   LYS+  99  14.44 +/- 1.47   0.005% *  0.0219% (0.06   0.02   0.02) =   0.000%
          HB    THR   39 - HG12  ILE   89  25.07 +/- 1.10   0.000% *  0.3382% (0.97   0.02   0.02) =   0.000%
          HB3   SER   37 - HG12  ILE   89  25.61 +/- 1.16   0.000% *  0.3504% (1.00   0.02   0.02) =   0.000%
          HA    GLN   30 - HG12  ILE   89  20.65 +/- 1.04   0.001% *  0.0541% (0.15   0.02   0.02) =   0.000%
          QB    SER   13 - HG12  ILE   89  29.46 +/- 1.21   0.000% *  0.3315% (0.95   0.02   0.02) =   0.000%
        T HA    ILE   89 - HG3   LYS+  99  25.96 +/- 1.04   0.000% *  0.1421% (0.41   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   LYS+  99  24.52 +/- 1.57   0.000% *  0.0976% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   LYS+  99  28.89 +/- 1.32   0.000% *  0.0281% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 0.624, support = 5.33, residual support = 201.3:
    * O T HB    ILE   89 - HG12  ILE   89   2.80 +/- 0.08  26.925% * 76.8881% (0.80   5.13 211.03) =  74.794%  kept
      O T HB2   LYS+  99 - HG3   LYS+  99   2.52 +/- 0.21  53.105% *  7.5421% (0.06   6.44 172.32) =  14.471%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.99 +/- 0.13  19.949% * 14.8945% (0.15   5.23 172.32) =  10.735%  kept
          QD    LYS+  81 - HG12  ILE   89  10.09 +/- 0.69   0.014% *  0.0655% (0.18   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG12  ILE   89  12.91 +/- 0.66   0.003% *  0.0833% (0.22   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.03 +/- 1.06   0.003% *  0.0338% (0.09   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  15.29 +/- 0.27   0.001% *  0.1041% (0.28   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  18.17 +/- 0.72   0.000% *  0.0422% (0.11   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  23.59 +/- 0.80   0.000% *  0.1405% (0.38   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  24.68 +/- 0.85   0.000% *  0.1215% (0.32   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  23.55 +/- 0.74   0.000% *  0.0577% (0.15   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  27.45 +/- 1.09   0.000% *  0.0266% (0.07   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1043 (0.63, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.88, residual support = 211.0:
    * O T QG2   ILE   89 - HG12  ILE   89   3.06 +/- 0.07  64.949% * 99.5388% (1.00   5.88 211.03) =  99.985%  kept
          QD1   LEU  104 - HG3   LYS+  99   3.45 +/- 0.27  33.760% *  0.0212% (0.06   0.02  19.31) =   0.011%
          QG1   VAL   83 - HG12  ILE   89   6.31 +/- 0.65   1.287% *  0.1782% (0.53   0.02   0.14) =   0.004%
          QG1   VAL   83 - HG3   LYS+  99  17.60 +/- 0.95   0.002% *  0.0723% (0.21   0.02   0.02) =   0.000%
        T QG2   ILE   89 - HG3   LYS+  99  19.60 +/- 0.76   0.001% *  0.1373% (0.41   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG12  ILE   89  20.22 +/- 0.50   0.001% *  0.0522% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1044 (1.22, 1.22, 26.04 ppm):
    2 diagonal assignments:
    *     HG12  ILE   89 - HG12  ILE   89  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.17)  kept
 
    Peak 1045 (4.46, 4.46, 56.09 ppm):
    1 diagonal assignment:
    *     HA    GLN   90 - HA    GLN   90  (0.96)  kept
 
    Peak 1046 (2.15, 4.46, 56.09 ppm):
    6 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 95.2:
    * O T HB2   GLN   90 - HA    GLN   90   2.47 +/- 0.13  99.969% * 97.7356% (0.78   3.96  95.25) = 100.000%  kept
        T HB3   GLU-  79 - HA    GLN   90   9.67 +/- 0.60   0.030% *  0.5826% (0.93   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   90  23.19 +/- 0.48   0.000% *  0.5826% (0.93   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   90  22.50 +/- 0.83   0.000% *  0.3736% (0.59   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLN   90  26.22 +/- 0.58   0.000% *  0.6037% (0.96   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   90  30.71 +/- 1.24   0.000% *  0.1219% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 95.2:
    * O T HB3   GLN   90 - HA    GLN   90   2.99 +/- 0.17  99.321% * 95.3091% (0.82   3.97  95.25) =  99.997%  kept
          HB2   MET   92 - HA    GLN   90   7.44 +/- 0.60   0.474% *  0.2800% (0.48   0.02   0.02) =   0.001%
          QB    LYS+  81 - HA    GLN   90   8.70 +/- 0.65   0.184% *  0.5160% (0.88   0.02   0.02) =   0.001%
          HB    ILE   56 - HA    GLN   90  14.56 +/- 0.84   0.008% *  0.5442% (0.93   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   90  16.06 +/- 0.93   0.005% *  0.5311% (0.90   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   90  15.95 +/- 1.08   0.005% *  0.3490% (0.59   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   90  19.71 +/- 0.64   0.001% *  0.3722% (0.63   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLN   90  22.47 +/- 0.56   0.001% *  0.4397% (0.75   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   90  22.10 +/- 1.01   0.001% *  0.3257% (0.55   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   90  22.73 +/- 1.06   0.001% *  0.3722% (0.63   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   90  21.81 +/- 0.63   0.001% *  0.1776% (0.30   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   90  30.22 +/- 1.11   0.000% *  0.4806% (0.82   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   90  31.19 +/- 0.64   0.000% *  0.3027% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 3.6, residual support = 95.2:
    * O T QG    GLN   90 - HA    GLN   90   2.59 +/- 0.31  99.520% * 96.6748% (0.88   3.60  95.25) = 100.000%  kept
          HG3   MET   92 - HA    GLN   90   7.00 +/- 1.01   0.474% *  0.0925% (0.15   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   90  14.24 +/- 0.67   0.004% *  0.5944% (0.97   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   90  20.17 +/- 0.99   0.001% *  0.5673% (0.93   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   90  25.24 +/- 1.18   0.000% *  0.5983% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   90  25.47 +/- 1.59   0.000% *  0.5878% (0.96   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   90  23.31 +/- 0.80   0.000% *  0.3395% (0.55   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLN   90  21.67 +/- 0.60   0.000% *  0.1335% (0.22   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLN   90  33.48 +/- 2.37   0.000% *  0.4119% (0.67   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1049 (4.46, 2.15, 31.73 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 95.2:
    * O T HA    GLN   90 - HB2   GLN   90   2.47 +/- 0.13  99.963% * 97.4349% (0.78   3.96  95.25) = 100.000%  kept
        T HA    GLN   90 - HB3   GLU-  79   9.67 +/- 0.60   0.030% *  0.3558% (0.57   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  15.06 +/- 0.55   0.002% *  0.4630% (0.74   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  18.42 +/- 0.63   0.001% *  0.4971% (0.79   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  18.01 +/- 0.34   0.001% *  0.3351% (0.53   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLU-  79  16.26 +/- 0.38   0.001% *  0.1767% (0.28   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  20.13 +/- 0.70   0.000% *  0.3598% (0.57   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   90  21.03 +/- 0.53   0.000% *  0.2441% (0.39   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  19.38 +/- 0.82   0.000% *  0.0774% (0.12   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  20.88 +/- 0.37   0.000% *  0.0560% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1050 (2.15, 2.15, 31.73 ppm):
    2 diagonal assignments:
    *     HB2   GLN   90 - HB2   GLN   90  (0.64)  kept
          HB3   GLU-  79 - HB3   GLU-  79  (0.55)  kept
 
    Peak 1051 (1.87, 2.15, 31.73 ppm):
    26 chemical-shift based assignments, quality = 0.669, support = 3.99, residual support = 95.2:
    * O T HB3   GLN   90 - HB2   GLN   90   1.75 +/- 0.00  99.956% * 91.9207% (0.67   3.99  95.25) = 100.000%  kept
          QB    LYS+  81 - HB3   GLU-  79   6.89 +/- 0.27   0.028% *  0.3577% (0.52   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   90   8.36 +/- 0.41   0.009% *  0.2683% (0.39   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   90  10.05 +/- 0.37   0.003% *  0.4943% (0.72   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB3   GLU-  79  12.34 +/- 0.53   0.001% *  0.3332% (0.48   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   GLU-  79  12.40 +/- 0.38   0.001% *  0.2580% (0.37   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   GLU-  79  13.01 +/- 2.17   0.001% *  0.1942% (0.28   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   90  15.11 +/- 0.46   0.000% *  0.5214% (0.76   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   GLN   90  17.23 +/- 0.72   0.000% *  0.5088% (0.74   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   GLN   90  16.23 +/- 0.91   0.000% *  0.3343% (0.49   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   GLU-  79  15.91 +/- 0.34   0.000% *  0.3048% (0.44   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   GLU-  79  16.92 +/- 0.63   0.000% *  0.3773% (0.55   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   GLU-  79  16.32 +/- 1.28   0.000% *  0.2419% (0.35   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   GLU-  79  17.69 +/- 0.57   0.000% *  0.3682% (0.53   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLN   90  22.03 +/- 0.59   0.000% *  0.3566% (0.52   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   GLU-  79  22.00 +/- 0.66   0.000% *  0.2258% (0.33   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   GLU-  79  22.55 +/- 0.48   0.000% *  0.2580% (0.37   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   GLN   90  24.54 +/- 0.49   0.000% *  0.4212% (0.61   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   90  24.21 +/- 0.78   0.000% *  0.3566% (0.52   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   GLN   90  23.78 +/- 0.90   0.000% *  0.3120% (0.45   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   90  22.53 +/- 0.37   0.000% *  0.1701% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB3   GLU-  79  21.53 +/- 0.50   0.000% *  0.1231% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   GLU-  79  25.56 +/- 0.96   0.000% *  0.3332% (0.48   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   GLU-  79  26.22 +/- 0.53   0.000% *  0.2099% (0.30   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HB2   GLN   90  32.37 +/- 1.04   0.000% *  0.4604% (0.67   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   GLN   90  32.96 +/- 0.37   0.000% *  0.2900% (0.42   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.718, support = 3.92, residual support = 95.2:
    * O T QG    GLN   90 - HB2   GLN   90   2.30 +/- 0.10  99.868% * 94.5120% (0.72   3.92  95.25) = 100.000%  kept
          HG3   MET   92 - HB2   GLN   90   7.56 +/- 0.94   0.103% *  0.0830% (0.12   0.02   0.02) =   0.000%
        T QG    GLN   90 - HB3   GLU-  79  10.34 +/- 0.98   0.014% *  0.3490% (0.52   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  79  11.93 +/- 0.28   0.005% *  0.3857% (0.57   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  79  15.10 +/- 0.80   0.001% *  0.3681% (0.55   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLN   90  15.93 +/- 0.49   0.001% *  0.5329% (0.79   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB3   GLU-  79  13.18 +/- 0.61   0.003% *  0.0866% (0.13   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLU-  79  18.26 +/- 1.58   0.000% *  0.3814% (0.57   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU-  79  13.74 +/- 1.71   0.003% *  0.0600% (0.09   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLU-  79  18.94 +/- 1.21   0.000% *  0.3882% (0.58   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLN   90  22.07 +/- 0.92   0.000% *  0.5086% (0.76   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLN   90  24.28 +/- 0.58   0.000% *  0.3044% (0.45   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   GLN   90  27.01 +/- 1.25   0.000% *  0.5365% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   GLN   90  27.15 +/- 1.54   0.000% *  0.5270% (0.78   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  79  23.64 +/- 0.65   0.000% *  0.2203% (0.33   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  79  26.25 +/- 2.62   0.000% *  0.2673% (0.40   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB2   GLN   90  23.99 +/- 0.60   0.000% *  0.1197% (0.18   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLN   90  35.19 +/- 2.50   0.000% *  0.3693% (0.55   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1053 (4.46, 1.87, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 3.97, residual support = 95.2:
    * O T HA    GLN   90 - HB3   GLN   90   2.99 +/- 0.17  99.987% * 98.7026% (0.82   3.97  95.25) = 100.000%  kept
          HA    ALA  110 - HB3   GLN   90  14.56 +/- 0.56   0.008% *  0.4687% (0.77   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLN   90  18.42 +/- 1.15   0.002% *  0.5032% (0.83   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   90  20.62 +/- 0.42   0.001% *  0.2471% (0.41   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLN   90  18.57 +/- 0.55   0.002% *  0.0783% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1054 (2.15, 1.87, 31.73 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 3.99, residual support = 95.2:
    * O T HB2   GLN   90 - HB3   GLN   90   1.75 +/- 0.00  99.999% * 97.7521% (0.67   3.99  95.25) = 100.000%  kept
        T HB3   GLU-  79 - HB3   GLN   90  12.34 +/- 0.53   0.001% *  0.5784% (0.79   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   GLN   90  25.68 +/- 0.47   0.000% *  0.5784% (0.79   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   GLN   90  24.98 +/- 0.82   0.000% *  0.3708% (0.51   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB3   GLN   90  28.13 +/- 0.68   0.000% *  0.5993% (0.82   0.02   0.02) =   0.000%
        T HB2   LYS+  38 - HB3   GLN   90  32.48 +/- 1.14   0.000% *  0.1210% (0.17   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1055 (1.87, 1.87, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   GLN   90 - HB3   GLN   90  (0.70)  kept
 
    Peak 1056 (2.27, 1.87, 31.73 ppm):
    9 chemical-shift based assignments, quality = 0.749, support = 3.92, residual support = 95.2:
    * O T QG    GLN   90 - HB3   GLN   90   2.46 +/- 0.13  99.541% * 96.9427% (0.75   3.92  95.25) = 100.000%  kept
          HG3   MET   92 - HB3   GLN   90   6.90 +/- 1.60   0.457% *  0.0851% (0.13   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLN   90  15.83 +/- 0.48   0.001% *  0.5465% (0.83   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLN   90  22.06 +/- 0.94   0.000% *  0.5216% (0.79   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLN   90  23.86 +/- 0.63   0.000% *  0.3121% (0.47   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLN   90  27.15 +/- 1.30   0.000% *  0.5501% (0.83   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLN   90  27.54 +/- 1.51   0.000% *  0.5404% (0.82   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLN   90  24.17 +/- 0.57   0.000% *  0.1227% (0.19   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   GLN   90  35.55 +/- 2.37   0.000% *  0.3787% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 3.6, residual support = 95.2:
    * O T HA    GLN   90 - QG    GLN   90   2.59 +/- 0.31  99.991% * 98.5705% (0.88   3.60  95.25) = 100.000%  kept
          HA    ALA  110 - QG    GLN   90  14.25 +/- 0.54   0.005% *  0.5164% (0.83   0.02   0.02) =   0.000%
          HA    PHE   55 - QG    GLN   90  17.72 +/- 0.72   0.001% *  0.5545% (0.89   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   90  18.73 +/- 0.73   0.001% *  0.2723% (0.44   0.02   0.02) =   0.000%
          HA    VAL  107 - QG    GLN   90  17.53 +/- 0.57   0.001% *  0.0863% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1058 (2.15, 2.27, 34.07 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.92, residual support = 95.2:
    * O T HB2   GLN   90 - QG    GLN   90   2.30 +/- 0.10  99.986% * 97.7111% (0.72   3.92  95.25) = 100.000%  kept
        T HB3   GLU-  79 - QG    GLN   90  10.34 +/- 0.98   0.014% *  0.5889% (0.85   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QG    GLN   90  22.28 +/- 0.91   0.000% *  0.5889% (0.85   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - QG    GLN   90  21.50 +/- 0.91   0.000% *  0.3776% (0.54   0.02   0.02) =   0.000%
          QB    GLU-  36 - QG    GLN   90  24.73 +/- 0.81   0.000% *  0.6102% (0.88   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG    GLN   90  28.93 +/- 1.13   0.000% *  0.1232% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1059 (1.87, 2.27, 34.07 ppm):
    13 chemical-shift based assignments, quality = 0.749, support = 3.92, residual support = 95.2:
    * O T HB3   GLN   90 - QG    GLN   90   2.46 +/- 0.13  99.735% * 95.2572% (0.75   3.92  95.25) =  99.999%  kept
          QB    LYS+  81 - QG    GLN   90   8.06 +/- 0.66   0.098% *  0.5217% (0.80   0.02   0.02) =   0.001%
        T HB2   MET   92 - QG    GLN   90   7.78 +/- 1.23   0.159% *  0.2831% (0.44   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    GLN   90  14.50 +/- 0.65   0.003% *  0.5503% (0.85   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG    GLN   90  15.23 +/- 0.54   0.002% *  0.5370% (0.83   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    GLN   90  15.89 +/- 1.07   0.002% *  0.3528% (0.54   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLN   90  19.30 +/- 0.96   0.000% *  0.3763% (0.58   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG    GLN   90  21.58 +/- 0.83   0.000% *  0.4445% (0.69   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    GLN   90  20.67 +/- 0.75   0.000% *  0.3293% (0.51   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    GLN   90  21.62 +/- 0.69   0.000% *  0.3763% (0.58   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLN   90  21.20 +/- 0.58   0.000% *  0.1795% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    GLN   90  28.44 +/- 1.07   0.000% *  0.4859% (0.75   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    GLN   90  29.83 +/- 0.74   0.000% *  0.3060% (0.47   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 2.35, residual support = 14.4:
    * O T QB    ALA   91 - HA    ALA   91   2.14 +/- 0.02  99.964% * 95.1149% (1.00   2.35  14.43) = 100.000%  kept
          QG2   ILE   56 - HA    ALA   91   8.67 +/- 0.90   0.027% *  0.5886% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ALA   91  11.34 +/- 2.20   0.008% *  0.4916% (0.61   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ALA   91  14.92 +/- 1.54   0.001% *  0.1805% (0.22   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ALA   91  18.74 +/- 0.66   0.000% *  0.4265% (0.53   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ALA   91  21.01 +/- 1.83   0.000% *  0.6771% (0.84   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    ALA   91  21.82 +/- 0.86   0.000% *  0.8106% (1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ALA   91  23.06 +/- 1.62   0.000% *  0.4589% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ALA   91  25.98 +/- 0.90   0.000% *  0.5244% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA   91  29.76 +/- 1.45   0.000% *  0.7270% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 2.35, residual support = 14.4:
    * O T HA    ALA   91 - QB    ALA   91   2.14 +/- 0.02  99.868% * 96.4217% (1.00   2.35  14.43) = 100.000%  kept
          HA    PRO   52 - QB    ALA   91   8.91 +/- 1.96   0.036% *  0.2536% (0.31   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   23   7.23 +/- 0.13   0.067% *  0.0797% (0.10   0.02   2.37) =   0.000%
          HA    ALA  110 - QB    ALA   91   8.91 +/- 0.25   0.019% *  0.1626% (0.20   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   91  12.59 +/- 1.47   0.003% *  0.7930% (0.97   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   39  12.26 +/- 0.69   0.003% *  0.3582% (0.44   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    ALA   91  15.84 +/- 0.32   0.001% *  0.7585% (0.92   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   39  16.11 +/- 0.42   0.001% *  0.3745% (0.46   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   23  14.92 +/- 1.54   0.001% *  0.0864% (0.11   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   39  21.82 +/- 0.86   0.000% *  0.3880% (0.47   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   39  18.91 +/- 0.48   0.000% *  0.0768% (0.09   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   39  23.18 +/- 0.87   0.000% *  0.1198% (0.15   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   23  21.83 +/- 0.32   0.000% *  0.0834% (0.10   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   23  20.59 +/- 0.37   0.000% *  0.0267% (0.03   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   23  20.15 +/- 0.32   0.000% *  0.0171% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.78 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 = 131.8:
    * O T HA    PRO   93 - HD2   PRO   93   3.98 +/- 0.00 100.000% *100.0000% (0.73   5.31 131.75) = 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 = 5.39, residual support = 131.7:
    * O T HB2   PRO   93 - HD2   PRO   93   4.04 +/- 0.00  64.930% * 98.1923% (0.73   5.40 131.75) =  99.937%  kept
          HG3   PRO   52 - HD2   PRO   93   4.81 +/- 1.19  34.375% *  0.1123% (0.22   0.02   0.02) =   0.061%
          HB    VAL  108 - HD2   PRO   93   9.08 +/- 0.38   0.521% *  0.2913% (0.58   0.02   0.02) =   0.002%
          HB2   ARG+  54 - HD2   PRO   93  12.07 +/- 1.03   0.088% *  0.3156% (0.63   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD2   PRO   93  12.64 +/- 0.74   0.069% *  0.1123% (0.22   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   PRO   93  17.04 +/- 0.54   0.012% *  0.2060% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   PRO   93  21.51 +/- 0.64   0.003% *  0.2060% (0.41   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   PRO   93  22.43 +/- 0.75   0.002% *  0.1011% (0.20   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   PRO   93  27.51 +/- 0.20   0.001% *  0.1771% (0.35   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   93  28.51 +/- 2.02   0.001% *  0.1365% (0.27   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   93  36.56 +/- 2.76   0.000% *  0.1496% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 131.7:
    * O T HG2   PRO   93 - HD2   PRO   93   2.30 +/- 0.00  98.330% * 97.2556% (0.73   4.00 131.75) =  99.997%  kept
          HB3   PRO   52 - HD2   PRO   93   5.53 +/- 1.29   1.668% *  0.1501% (0.22   0.02   0.02) =   0.003%
          QB    LYS+  66 - HD2   PRO   93  18.56 +/- 0.65   0.000% *  0.4361% (0.65   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   93  17.36 +/- 0.59   0.001% *  0.2753% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD2   PRO   93  18.80 +/- 0.53   0.000% *  0.4062% (0.61   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   93  19.42 +/- 0.89   0.000% *  0.3531% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   93  20.86 +/- 0.35   0.000% *  0.4489% (0.67   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   PRO   93  21.60 +/- 0.37   0.000% *  0.3894% (0.58   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   PRO   93  21.81 +/- 0.83   0.000% *  0.1501% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   PRO   93  22.02 +/- 0.74   0.000% *  0.1352% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 131.8:
    * O T HD3   PRO   93 - HD2   PRO   93   1.75 +/- 0.00  99.946% * 97.7197% (0.65   4.00 131.75) = 100.000%  kept
          HB3   CYS   53 - HD2   PRO   93   7.16 +/- 0.98   0.033% *  0.5400% (0.72   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   93   7.76 +/- 1.04   0.019% *  0.4362% (0.58   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   93  10.95 +/- 0.66   0.002% *  0.2866% (0.38   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   93  13.84 +/- 1.14   0.000% *  0.5448% (0.73   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD2   PRO   93  24.60 +/- 0.89   0.000% *  0.4726% (0.63   0.02   0.02) =   0.000%
    Distance limit 2.68 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 = 131.8:
    * O T HA    PRO   93 - HD3   PRO   93   3.79 +/- 0.00  99.997% * 99.9331% (0.90   5.31 131.75) = 100.000%  kept
        T HA    PRO   93 - HD3   PRO   68  21.49 +/- 0.40   0.003% *  0.0669% (0.16   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 0.896, support = 5.39, residual support = 131.6:
    * O T HB2   PRO   93 - HD3   PRO   93   3.53 +/- 0.00  58.779% * 97.8143% (0.90   5.40 131.75) =  99.920%  kept
          HG3   PRO   52 - HD3   PRO   93   4.03 +/- 1.13  40.999% *  0.1119% (0.28   0.02   0.02) =   0.080%
          HB    VAL  108 - HD3   PRO   93  10.74 +/- 0.38   0.077% *  0.2902% (0.72   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HD3   PRO   93  11.35 +/- 0.90   0.052% *  0.3144% (0.78   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   93  12.74 +/- 0.52   0.026% *  0.1119% (0.28   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   93  17.93 +/- 0.37   0.004% *  0.2052% (0.51   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   68  13.55 +/- 0.88   0.019% *  0.0365% (0.09   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   68  15.96 +/- 0.53   0.007% *  0.0365% (0.09   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   93  21.18 +/- 0.64   0.001% *  0.2052% (0.51   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   68  15.08 +/- 0.92   0.010% *  0.0242% (0.06   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   68  18.81 +/- 3.36   0.008% *  0.0265% (0.07   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   68  18.19 +/- 1.12   0.004% *  0.0314% (0.08   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   93  21.93 +/- 0.75   0.001% *  0.1008% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   68  17.31 +/- 0.60   0.004% *  0.0199% (0.05   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   68  17.26 +/- 0.91   0.005% *  0.0179% (0.04   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HD3   PRO   68  21.70 +/- 0.74   0.001% *  0.0645% (0.16   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HD3   PRO   68  22.56 +/- 0.76   0.001% *  0.0559% (0.14   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   93  28.19 +/- 0.19   0.000% *  0.1764% (0.44   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   93  27.88 +/- 2.03   0.000% *  0.1360% (0.34   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   PRO   68  23.52 +/- 0.69   0.001% *  0.0516% (0.13   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   93  36.06 +/- 2.85   0.000% *  0.1490% (0.37   0.02   0.02) =   0.000%
          HG3   PRO   52 - HD3   PRO   68  25.85 +/- 0.83   0.000% *  0.0199% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1072 (1.81, 3.34, 50.24 ppm):
    20 chemical-shift based assignments, quality = 0.897, support = 4.0, residual support = 131.7:
    * O T HG2   PRO   93 - HD3   PRO   93   2.91 +/- 0.00  90.053% * 96.6997% (0.90   4.00 131.75) =  99.987%  kept
        T HB3   PRO   52 - HD3   PRO   93   5.32 +/- 1.10   4.979% *  0.1492% (0.28   0.02   0.02) =   0.009%
          QB    LYS+  66 - HD3   PRO   68   5.05 +/- 0.48   3.976% *  0.0772% (0.14   0.02   0.02) =   0.004%
          QB    LYS+  65 - HD3   PRO   68   6.79 +/- 0.92   0.856% *  0.0719% (0.13   0.02   0.02) =   0.001%
          HB2   LEU   71 - HD3   PRO   68  11.27 +/- 0.40   0.027% *  0.0689% (0.13   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   68  10.46 +/- 1.20   0.064% *  0.0266% (0.05   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   68  11.53 +/- 0.86   0.026% *  0.0239% (0.04   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   PRO   93  18.89 +/- 0.51   0.001% *  0.4336% (0.80   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   68  13.91 +/- 0.89   0.008% *  0.0625% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD3   PRO   93  18.76 +/- 0.34   0.001% *  0.4039% (0.75   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   93  18.19 +/- 0.58   0.002% *  0.2737% (0.51   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   93  19.66 +/- 0.82   0.001% *  0.3511% (0.65   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   93  21.70 +/- 0.33   0.001% *  0.4463% (0.83   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   93  21.60 +/- 0.37   0.001% *  0.3872% (0.72   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   68  17.38 +/- 0.70   0.002% *  0.0794% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   93  21.45 +/- 0.66   0.001% *  0.1344% (0.25   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   93  22.62 +/- 0.68   0.000% *  0.1492% (0.28   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   68  18.97 +/- 1.07   0.001% *  0.0487% (0.09   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD3   PRO   68  23.29 +/- 1.26   0.000% *  0.0860% (0.16   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD3   PRO   68  24.63 +/- 0.89   0.000% *  0.0266% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 131.8:
    * O T HD2   PRO   93 - HD3   PRO   93   1.75 +/- 0.00  99.994% * 98.6141% (0.65   4.00 131.75) = 100.000%  kept
          HA    THR   77 - HD3   PRO   93   9.03 +/- 0.46   0.006% *  0.6090% (0.80   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   93  18.69 +/- 0.47   0.000% *  0.4931% (0.65   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   68  22.54 +/- 0.35   0.000% *  0.0878% (0.12   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HD3   PRO   68  24.60 +/- 0.89   0.000% *  0.0878% (0.12   0.02   0.02) =   0.000%
          HA    THR   77 - HD3   PRO   68  25.51 +/- 0.33   0.000% *  0.1084% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 131.8:
    * O T HB2   PRO   93 - HA    PRO   93   2.30 +/- 0.00  99.702% * 98.3650% (1.00   5.98 131.75) = 100.000%  kept
          HG3   PRO   52 - HA    PRO   93   6.68 +/- 1.14   0.267% *  0.1016% (0.31   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    PRO   93  10.10 +/- 0.36   0.014% *  0.2635% (0.80   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    PRO   93  11.55 +/- 0.77   0.007% *  0.2854% (0.87   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    PRO   93  11.46 +/- 0.69   0.007% *  0.1016% (0.31   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    PRO   93  15.68 +/- 0.55   0.001% *  0.1863% (0.57   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    PRO   93  17.87 +/- 0.64   0.000% *  0.1863% (0.57   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    PRO   93  18.80 +/- 0.68   0.000% *  0.0915% (0.28   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    PRO   93  24.83 +/- 0.22   0.000% *  0.1602% (0.49   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   93  24.86 +/- 1.86   0.000% *  0.1235% (0.38   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   93  33.04 +/- 2.71   0.000% *  0.1353% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 131.7:
    * O T HG2   PRO   93 - HA    PRO   93   3.97 +/- 0.00  94.901% * 97.9201% (1.00   5.31 131.75) =  99.994%  kept
          HB3   PRO   52 - HA    PRO   93   7.07 +/- 1.26   4.969% *  0.1138% (0.31   0.02   0.02) =   0.006%
          QB    LYS+  66 - HA    PRO   93  16.15 +/- 0.53   0.021% *  0.3305% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   93  15.24 +/- 0.65   0.031% *  0.2087% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    PRO   93  16.23 +/- 0.42   0.021% *  0.3078% (0.84   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   93  16.11 +/- 0.83   0.023% *  0.2676% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    PRO   93  17.99 +/- 0.36   0.011% *  0.2951% (0.80   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   93  19.02 +/- 0.37   0.008% *  0.3402% (0.92   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    PRO   93  18.50 +/- 0.57   0.009% *  0.1025% (0.28   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   93  19.95 +/- 0.58   0.006% *  0.1138% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.68 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 = 131.7:
    * O T HD2   PRO   93 - HA    PRO   93   3.98 +/- 0.00  98.757% * 99.1658% (0.73   5.31 131.75) =  99.994%  kept
          HA    THR   77 - HA    PRO   93   8.33 +/- 0.36   1.221% *  0.4610% (0.90   0.02   0.02) =   0.006%
          HB2   TRP   27 - HA    PRO   93  16.21 +/- 0.47   0.022% *  0.3732% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.26 A, kept.
 
    Peak 1079 (3.34, 5.07, 63.17 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 5.31, residual support = 131.7:
    * O T HD3   PRO   93 - HA    PRO   93   3.79 +/- 0.00  88.950% * 98.2738% (0.90   5.31 131.75) =  99.951%  kept
          HB3   CYS   53 - HA    PRO   93   5.86 +/- 0.80   9.174% *  0.4088% (0.99   0.02   0.02) =   0.043%
          QB    PHE   55 - HA    PRO   93   8.12 +/- 1.06   1.231% *  0.3302% (0.80   0.02   0.02) =   0.005%
          HB2   PHE   59 - HA    PRO   93   8.84 +/- 0.49   0.582% *  0.2170% (0.53   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HA    PRO   93  12.92 +/- 0.87   0.060% *  0.4124% (1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HA    PRO   93  21.49 +/- 0.40   0.003% *  0.3578% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 131.7:
    * O T HG2   PRO   93 - HB2   PRO   93   2.96 +/- 0.00  90.105% * 97.7682% (1.00   5.40 131.75) =  99.988%  kept
        T HB3   PRO   52 - HB2   PRO   93   5.18 +/- 1.41   9.305% *  0.1118% (0.31   0.02   0.02) =   0.012%
          HB2   LEU   71 - HG3   GLN   30   7.39 +/- 0.61   0.422% *  0.0226% (0.06   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   GLN   30   9.47 +/- 1.15   0.112% *  0.0205% (0.06   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   PRO   93  15.77 +/- 0.25   0.004% *  0.3026% (0.84   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   93  16.05 +/- 0.45   0.004% *  0.3249% (0.90   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   93  17.63 +/- 0.99   0.002% *  0.2630% (0.73   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   93  17.14 +/- 0.74   0.002% *  0.2051% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   PRO   93  19.12 +/- 0.72   0.001% *  0.2900% (0.80   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   93  20.59 +/- 0.48   0.001% *  0.3344% (0.92   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HG3   GLN   30  11.91 +/- 1.42   0.027% *  0.0078% (0.02   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB2   PRO   93  18.40 +/- 0.80   0.002% *  0.1007% (0.28   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   93  19.87 +/- 0.56   0.001% *  0.1118% (0.31   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   GLN   30  16.55 +/- 1.04   0.003% *  0.0236% (0.07   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   GLN   30  17.23 +/- 0.83   0.002% *  0.0253% (0.07   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   GLN   30  17.67 +/- 0.75   0.002% *  0.0261% (0.07   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   GLN   30  16.71 +/- 0.81   0.003% *  0.0160% (0.04   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG3   GLN   30  22.39 +/- 0.89   0.000% *  0.0282% (0.08   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   GLN   30  24.30 +/- 0.94   0.000% *  0.0087% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   GLN   30  24.70 +/- 1.20   0.000% *  0.0087% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1083 (3.58, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 5.4, residual support = 131.7:
    * O T HD2   PRO   93 - HB2   PRO   93   4.04 +/- 0.00  95.442% * 99.0869% (0.73   5.40 131.75) =  99.996%  kept
          HA    THR   77 - HB2   PRO   93   9.57 +/- 0.60   0.596% *  0.4534% (0.90   0.02   0.02) =   0.003%
          HB2   TRP   27 - HG3   GLN   30   7.33 +/- 0.83   3.922% *  0.0286% (0.06   0.02   0.02) =   0.001%
          HB2   TRP   27 - HB2   PRO   93  17.71 +/- 0.90   0.014% *  0.3671% (0.73   0.02   0.02) =   0.000%
          HA    THR   77 - HG3   GLN   30  16.28 +/- 0.82   0.023% *  0.0353% (0.07   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HG3   GLN   30  22.43 +/- 0.75   0.003% *  0.0286% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.82 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 = 0.895, support = 5.39, residual support = 131.5:
    * O T HD3   PRO   93 - HB2   PRO   93   3.53 +/- 0.00  68.936% * 98.1425% (0.90   5.40 131.75) =  99.821%  kept
          HB3   CYS   53 - HB2   PRO   93   4.31 +/- 0.73  26.856% *  0.4019% (0.99   0.02   0.02) =   0.159%
          QB    PHE   55 - HB2   PRO   93   6.33 +/- 1.15   3.687% *  0.3246% (0.80   0.02   0.02) =   0.018%
          HB2   PHE   59 - HB2   PRO   93   8.25 +/- 0.29   0.425% *  0.2133% (0.53   0.02   0.02) =   0.001%
        T HD2   ARG+  54 - HB2   PRO   93  10.93 +/- 0.85   0.081% *  0.4054% (1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   PRO   93  21.70 +/- 0.74   0.001% *  0.3517% (0.87   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG3   GLN   30  17.26 +/- 0.91   0.005% *  0.0274% (0.07   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   GLN   30  20.04 +/- 0.95   0.002% *  0.0313% (0.08   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   GLN   30  19.43 +/- 0.82   0.003% *  0.0166% (0.04   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG3   GLN   30  21.93 +/- 0.75   0.001% *  0.0283% (0.07   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   GLN   30  22.29 +/- 0.98   0.001% *  0.0253% (0.06   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   GLN   30  23.99 +/- 1.26   0.001% *  0.0316% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 131.8:
    * O T HA    PRO   93 - HG2   PRO   93   3.97 +/- 0.00 100.000% *100.0000% (1.00   5.31 131.75) = 100.000%  kept
    Distance limit 5.02 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 = 131.7:
    * O T HB2   PRO   93 - HG2   PRO   93   2.96 +/- 0.00  82.888% * 98.1923% (1.00   5.40 131.75) =  99.976%  kept
        T HG3   PRO   52 - HG2   PRO   93   4.29 +/- 0.96  16.907% *  0.1123% (0.31   0.02   0.02) =   0.023%
          HB    VAL  108 - HG2   PRO   93   9.11 +/- 0.37   0.099% *  0.2913% (0.80   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   PRO   93  10.28 +/- 0.99   0.055% *  0.3156% (0.87   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   PRO   93  10.52 +/- 0.75   0.045% *  0.1123% (0.31   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   PRO   93  15.40 +/- 0.50   0.004% *  0.2060% (0.57   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   PRO   93  21.46 +/- 0.92   0.001% *  0.2060% (0.57   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   PRO   93  22.39 +/- 0.89   0.000% *  0.1011% (0.28   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   PRO   93  27.52 +/- 0.33   0.000% *  0.1771% (0.49   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   93  27.66 +/- 2.34   0.000% *  0.1365% (0.38   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   93  35.54 +/- 2.91   0.000% *  0.1496% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 131.8:
    * O T HD2   PRO   93 - HG2   PRO   93   2.30 +/- 0.00  99.992% * 98.8948% (0.73   4.00 131.75) = 100.000%  kept
          HA    THR   77 - HG2   PRO   93  11.26 +/- 0.26   0.007% *  0.6107% (0.90   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG2   PRO   93  19.93 +/- 0.57   0.000% *  0.4945% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 131.7:
    * O T HD3   PRO   93 - HG2   PRO   93   2.91 +/- 0.00  95.916% * 97.7197% (0.90   4.00 131.75) =  99.979%  kept
          HB3   CYS   53 - HG2   PRO   93   6.26 +/- 1.05   1.932% *  0.5400% (0.99   0.02   0.02) =   0.011%
          QB    PHE   55 - HG2   PRO   93   5.97 +/- 0.94   2.011% *  0.4362% (0.80   0.02   0.02) =   0.009%
          HB2   PHE   59 - HG2   PRO   93   9.19 +/- 0.85   0.117% *  0.2866% (0.53   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   93  12.08 +/- 1.18   0.023% *  0.5448% (1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   PRO   93  23.29 +/- 1.26   0.000% *  0.4726% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.81 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   3.03 +/- 0.02  99.883% * 94.0553% (0.84   2.43  25.32) =  99.999%  kept
          QB    SER  117 - HA    THR   94  10.84 +/- 0.28   0.048% *  0.3808% (0.41   0.02   0.02) =   0.000%
          QB    SER   48 - HA    THR   94  14.00 +/- 0.41   0.010% *  0.8550% (0.92   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    THR   94  14.16 +/- 0.52   0.010% *  0.6363% (0.69   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    THR   94  11.93 +/- 1.13   0.033% *  0.1833% (0.20   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    THR   94  15.21 +/- 0.26   0.006% *  0.7079% (0.76   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    THR   94  16.24 +/- 0.24   0.004% *  0.9263% (1.00   0.02   0.02) =   0.000%
          QB    SER   85 - HA    THR   94  17.65 +/- 0.22   0.003% *  0.7737% (0.84   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    THR   94  18.31 +/- 0.28   0.002% *  0.7079% (0.76   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    THR   94  21.22 +/- 0.52   0.001% *  0.7737% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1092 (1.19, 4.95, 63.38 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 25.3:
    * O T QG2   THR   94 - HA    THR   94   2.58 +/- 0.06  99.960% * 98.1197% (1.00   2.96  25.32) = 100.000%  kept
          HB3   LYS+ 112 - HA    THR   94  11.45 +/- 0.55   0.014% *  0.6622% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    THR   94  12.31 +/- 0.45   0.009% *  0.5314% (0.80   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    THR   94  11.13 +/- 0.45   0.016% *  0.2048% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    THR   94  18.01 +/- 0.60   0.001% *  0.4819% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.49 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   3.03 +/- 0.02  99.919% * 99.7953% (0.84   2.43  25.32) = 100.000%  kept
          HA    LYS+  74 - HB    THR   94   9.94 +/- 0.20   0.081% *  0.2047% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.95 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  99.990% * 97.7248% (0.84   2.43  25.32) = 100.000%  kept
          HG13  ILE  103 - HB    THR   94  10.47 +/- 0.51   0.008% *  0.2478% (0.26   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB    THR   94  14.28 +/- 0.59   0.001% *  0.8012% (0.83   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    THR   94  15.11 +/- 0.46   0.001% *  0.6430% (0.67   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    THR   94  18.04 +/- 0.72   0.000% *  0.5831% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1096 (4.95, 1.19, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 25.3:
    * O T HA    THR   94 - QG2   THR   94   2.58 +/- 0.06  99.939% * 99.8316% (1.00   2.96  25.32) = 100.000%  kept
          HA    LYS+  74 - QG2   THR   94   8.93 +/- 0.29   0.061% *  0.1684% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.29 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  99.974% * 94.0611% (0.84   2.43  25.32) = 100.000%  kept
          QB    SER  117 - QG2   THR   94   9.67 +/- 0.30   0.013% *  0.3804% (0.41   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   THR   94  12.73 +/- 0.35   0.002% *  0.8542% (0.92   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QG2   THR   94  12.68 +/- 0.25   0.002% *  0.7072% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - QG2   THR   94  13.84 +/- 0.41   0.001% *  0.7729% (0.84   0.02   0.02) =   0.000%
          HA    ALA  120 - QG2   THR   94  14.25 +/- 0.21   0.001% *  0.9253% (1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   THR   94  14.07 +/- 0.44   0.001% *  0.6356% (0.69   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   THR   94  12.11 +/- 0.99   0.004% *  0.1831% (0.20   0.02   0.02) =   0.000%
          HA    LYS+  65 - QG2   THR   94  16.31 +/- 0.29   0.001% *  0.7072% (0.76   0.02   0.02) =   0.000%
          HA2   GLY   16 - QG2   THR   94  18.42 +/- 0.52   0.000% *  0.7729% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.96 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   3.07 +/- 0.02 100.000% *100.0000% (1.00   3.44  73.53) = 100.000%  kept
    Distance limit 3.81 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   2.62 +/- 0.08  99.993% * 99.3383% (1.00   4.00  73.53) = 100.000%  kept
          HG2   GLN  116 - HA    PHE   95  13.07 +/- 0.42   0.007% *  0.4923% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    PHE   95  22.11 +/- 0.52   0.000% *  0.1694% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.37 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   3.07 +/- 0.02 100.000% *100.0000% (1.00   3.44  73.53) = 100.000%  kept
    Distance limit 3.90 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% * 99.2020% (1.00   3.31  73.53) = 100.000%  kept
          HG2   GLN  116 - HB2   PHE   95  10.75 +/- 0.38   0.002% *  0.5937% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   PHE   95  25.03 +/- 0.54   0.000% *  0.2043% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.71 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   2.62 +/- 0.08 100.000% *100.0000% (1.00   4.00  73.53) = 100.000%  kept
    Distance limit 3.54 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   3.31  73.53) = 100.000%  kept
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1107 (2.54, 2.54, 40.96 ppm):
    1 diagonal assignment:
    *     HB3   PHE   95 - HB3   PHE   95  (1.00)  kept
 
    Peak 1108 (5.31, 5.31, 54.03 ppm):
    1 diagonal assignment:
    *     HA    MET   96 - HA    MET   96  (0.96)  kept
 
    Peak 1109 (2.21, 5.31, 54.03 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.5:
    * O T HB2   MET   96 - HA    MET   96   3.05 +/- 0.02  98.640% * 98.5022% (0.98   5.00 115.53) =  99.998%  kept
          HB2   ASP- 105 - HA    MET   96   6.30 +/- 0.22   1.320% *  0.1620% (0.40   0.02   0.02) =   0.002%
          HB    VAL   70 - HA    MET   96  12.27 +/- 0.34   0.024% *  0.3011% (0.75   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   96  14.99 +/- 0.40   0.007% *  0.2861% (0.71   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   96  16.10 +/- 0.43   0.005% *  0.2549% (0.63   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    MET   96  16.74 +/- 0.55   0.004% *  0.2706% (0.67   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    MET   96  21.46 +/- 0.53   0.001% *  0.2231% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1110 (1.93, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.5:
    * O T HB3   MET   96 - HA    MET   96   2.63 +/- 0.08  99.982% * 98.9690% (0.98   5.00 115.53) = 100.000%  kept
          HB2   LEU   40 - HA    MET   96  11.17 +/- 0.32   0.017% *  0.3170% (0.78   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   96  22.85 +/- 1.25   0.000% *  0.3434% (0.85   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    MET   96  19.07 +/- 0.44   0.001% *  0.0987% (0.24   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   96  30.90 +/- 2.69   0.000% *  0.2719% (0.67   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1111 (2.61, 5.31, 54.03 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.5:
    * O T HG2   MET   96 - HA    MET   96   2.62 +/- 0.36  99.998% * 99.8313% (0.98   4.44 115.53) = 100.000%  kept
        T HB2   PRO   52 - HA    MET   96  17.42 +/- 1.18   0.002% *  0.1687% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1112 (2.47, 5.31, 54.03 ppm):
    5 chemical-shift based assignments, quality = 0.595, support = 4.44, residual support = 115.5:
    * O T HG3   MET   96 - HA    MET   96   2.83 +/- 0.28  99.985% * 98.8561% (0.59   4.44 115.53) = 100.000%  kept
          HB3   TRP   87 - HA    MET   96  14.46 +/- 0.41   0.006% *  0.1634% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    MET   96  15.10 +/- 0.35   0.005% *  0.1634% (0.22   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    MET   96  19.59 +/- 1.10   0.001% *  0.6130% (0.82   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    MET   96  16.59 +/- 0.27   0.003% *  0.2041% (0.27   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1113 (5.31, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.5:
    * O T HA    MET   96 - HB2   MET   96   3.05 +/- 0.02  99.650% * 99.9092% (0.98   5.00 115.53) = 100.000%  kept
          HA    PHE   72 - HB2   MET   96   7.86 +/- 0.25   0.350% *  0.0908% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1114 (2.21, 2.21, 36.87 ppm):
    1 diagonal assignment:
    *     HB2   MET   96 - HB2   MET   96  (1.00)  kept
 
    Peak 1115 (1.93, 2.21, 36.87 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.5:
    * O T HB3   MET   96 - HB2   MET   96   1.75 +/- 0.00  99.998% * 98.9690% (1.00   5.00 115.53) = 100.000%  kept
          HB2   LEU   40 - HB2   MET   96  10.88 +/- 0.28   0.002% *  0.3170% (0.80   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   MET   96  20.76 +/- 1.38   0.000% *  0.3434% (0.87   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB2   MET   96  19.09 +/- 0.45   0.000% *  0.0987% (0.25   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   MET   96  29.14 +/- 2.59   0.000% *  0.2719% (0.69   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1116 (2.61, 2.21, 36.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.5:
    * O T HG2   MET   96 - HB2   MET   96   2.96 +/- 0.23  99.998% * 99.8313% (1.00   4.44 115.53) = 100.000%  kept
        T HB2   PRO   52 - HB2   MET   96  18.13 +/- 1.11   0.002% *  0.1687% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1117 (2.47, 2.21, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.5:
    * O T HG3   MET   96 - HB2   MET   96   2.57 +/- 0.16  99.991% * 98.8561% (0.61   4.44 115.53) = 100.000%  kept
          HB3   TRP   87 - HB2   MET   96  13.49 +/- 0.55   0.005% *  0.1634% (0.22   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   MET   96  17.55 +/- 1.14   0.001% *  0.6130% (0.84   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   MET   96  15.67 +/- 0.35   0.002% *  0.1634% (0.22   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   MET   96  18.60 +/- 0.29   0.001% *  0.2041% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1118 (5.31, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.0, residual support = 115.5:
    * O T HA    MET   96 - HB3   MET   96   2.63 +/- 0.08  99.948% * 99.9092% (0.98   5.00 115.53) = 100.000%  kept
          HA    PHE   72 - HB3   MET   96   9.30 +/- 0.16   0.052% *  0.0908% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1119 (2.21, 1.93, 36.87 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.5:
    * O T HB2   MET   96 - HB3   MET   96   1.75 +/- 0.00  99.993% * 98.5022% (1.00   5.00 115.53) = 100.000%  kept
          HB2   ASP- 105 - HB3   MET   96   8.90 +/- 0.26   0.006% *  0.1620% (0.41   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   MET   96  13.04 +/- 0.32   0.001% *  0.3011% (0.76   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   96  13.87 +/- 0.41   0.000% *  0.2549% (0.65   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   96  16.04 +/- 0.42   0.000% *  0.2861% (0.73   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   MET   96  16.31 +/- 0.64   0.000% *  0.2706% (0.69   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   MET   96  19.19 +/- 0.58   0.000% *  0.2231% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1120 (1.93, 1.93, 36.87 ppm):
    1 diagonal assignment:
    *     HB3   MET   96 - HB3   MET   96  (1.00)  kept
 
    Peak 1121 (2.61, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.5:
    * O T HG2   MET   96 - HB3   MET   96   2.54 +/- 0.18  99.999% * 99.8313% (1.00   4.44 115.53) = 100.000%  kept
        T HB2   PRO   52 - HB3   MET   96  17.02 +/- 1.18   0.001% *  0.1687% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (2.47, 1.93, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.5:
    * O T HG3   MET   96 - HB3   MET   96   3.02 +/- 0.06  99.970% * 98.8561% (0.61   4.44 115.53) = 100.000%  kept
          HB3   TRP   87 - HB3   MET   96  12.36 +/- 0.45   0.022% *  0.1634% (0.22   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB3   MET   96  19.12 +/- 1.11   0.002% *  0.6130% (0.84   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   MET   96  15.98 +/- 0.38   0.005% *  0.1634% (0.22   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   MET   96  18.10 +/- 0.30   0.002% *  0.2041% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1123 (5.31, 2.61, 32.67 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.5:
    * O T HA    MET   96 - HG2   MET   96   2.62 +/- 0.36  99.943% * 99.7361% (0.98   4.44 115.53) = 100.000%  kept
          HA    PHE   72 - HG2   MET   96  10.46 +/- 0.58   0.055% *  0.1020% (0.22   0.02   0.02) =   0.000%
        T HA    MET   96 - HB2   PRO   52  17.42 +/- 1.18   0.002% *  0.1319% (0.29   0.02   0.02) =   0.000%
          HA    PHE   72 - HB2   PRO   52  20.59 +/- 0.85   0.001% *  0.0300% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (2.21, 2.61, 32.67 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.5:
    * O T HB2   MET   96 - HG2   MET   96   2.96 +/- 0.23  99.688% * 97.7069% (1.00   4.44 115.53) =  99.999%  kept
          HB2   ASP- 105 - HG2   MET   96   8.16 +/- 0.52   0.275% *  0.1809% (0.41   0.02   0.02) =   0.001%
          HB    VAL   70 - HG2   MET   96  13.53 +/- 0.65   0.011% *  0.3362% (0.76   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   MET   96  14.62 +/- 0.79   0.007% *  0.3195% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   MET   96  16.08 +/- 0.49   0.004% *  0.2846% (0.65   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   MET   96  17.75 +/- 0.70   0.002% *  0.3022% (0.69   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   PRO   52  15.55 +/- 0.54   0.005% *  0.0836% (0.19   0.02   0.02) =   0.000%
        T HB2   MET   96 - HB2   PRO   52  18.13 +/- 1.11   0.002% *  0.1292% (0.29   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   MET   96  20.21 +/- 0.80   0.001% *  0.2491% (0.57   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   PRO   52  20.71 +/- 1.00   0.001% *  0.0888% (0.20   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   PRO   52  19.28 +/- 1.08   0.002% *  0.0531% (0.12   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   PRO   52  23.67 +/- 0.85   0.000% *  0.0988% (0.22   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   PRO   52  29.06 +/- 0.66   0.000% *  0.0732% (0.17   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   PRO   52  31.75 +/- 0.86   0.000% *  0.0938% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1125 (1.93, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 115.5:
    * O T HB3   MET   96 - HG2   MET   96   2.54 +/- 0.18  99.614% * 98.3772% (1.00   4.44 115.53) = 100.000%  kept
          HB3   ARG+  54 - HB2   PRO   52   6.61 +/- 0.41   0.372% *  0.0324% (0.07   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   96  11.89 +/- 0.62   0.012% *  0.3547% (0.80   0.02   0.02) =   0.000%
        T HB3   MET   96 - HB2   PRO   52  17.02 +/- 1.18   0.001% *  0.1301% (0.29   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG2   MET   96  23.40 +/- 1.36   0.000% *  0.3843% (0.87   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG2   MET   96  20.71 +/- 0.63   0.000% *  0.1105% (0.25   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   PRO   52  25.84 +/- 1.03   0.000% *  0.1042% (0.24   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   MET   96  31.58 +/- 2.68   0.000% *  0.3043% (0.69   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   PRO   52  29.31 +/- 1.44   0.000% *  0.1129% (0.25   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   52  37.51 +/- 3.23   0.000% *  0.0894% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1126 (2.61, 2.61, 32.67 ppm):
    2 diagonal assignments:
    *     HG2   MET   96 - HG2   MET   96  (1.00)  kept
          HB2   PRO   52 - HB2   PRO   52  (0.11)  kept
 
    Peak 1127 (2.47, 2.61, 32.67 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.5:
    * O T HG3   MET   96 - HG2   MET   96   1.75 +/- 0.00  99.998% * 98.2230% (0.61   4.00 115.53) = 100.000%  kept
          HB3   TRP   87 - HG2   MET   96  13.06 +/- 0.70   0.001% *  0.1803% (0.22   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   MET   96  18.64 +/- 1.15   0.000% *  0.6763% (0.84   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   PRO   52  13.90 +/- 0.88   0.000% *  0.0661% (0.08   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG2   MET   96  17.45 +/- 0.39   0.000% *  0.1803% (0.22   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG2   MET   96  19.05 +/- 0.54   0.000% *  0.2251% (0.28   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HB2   PRO   52  15.94 +/- 0.67   0.000% *  0.0530% (0.07   0.02   0.02) =   0.000%
        T HG3   MET   96 - HB2   PRO   52  19.70 +/- 1.18   0.000% *  0.1443% (0.18   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   PRO   52  18.80 +/- 1.57   0.000% *  0.0530% (0.07   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   PRO   52  34.41 +/- 1.83   0.000% *  0.1987% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1128 (5.31, 2.47, 32.67 ppm):
    2 chemical-shift based assignments, quality = 0.595, support = 4.44, residual support = 115.5:
    * O T HA    MET   96 - HG3   MET   96   2.83 +/- 0.28  99.911% * 99.8978% (0.59   4.44 115.53) = 100.000%  kept
          HA    PHE   72 - HG3   MET   96   9.50 +/- 0.54   0.089% *  0.1022% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1129 (2.21, 2.47, 32.67 ppm):
    7 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.5:
    * O T HB2   MET   96 - HG3   MET   96   2.57 +/- 0.16  99.863% * 98.3170% (0.61   4.44 115.53) = 100.000%  kept
          HB2   ASP- 105 - HG3   MET   96   8.07 +/- 0.33   0.119% *  0.1820% (0.25   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   MET   96  12.40 +/- 0.63   0.009% *  0.3383% (0.46   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   MET   96  13.40 +/- 0.45   0.005% *  0.3215% (0.44   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   MET   96  16.34 +/- 0.44   0.002% *  0.2864% (0.39   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   MET   96  17.03 +/- 0.92   0.001% *  0.3041% (0.42   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   MET   96  19.82 +/- 0.80   0.000% *  0.2506% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1130 (1.93, 2.47, 32.67 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.5:
    * O T HB3   MET   96 - HG3   MET   96   3.02 +/- 0.06  99.940% * 98.8408% (0.61   4.44 115.53) = 100.000%  kept
          HB2   LEU   40 - HG3   MET   96  10.61 +/- 0.60   0.058% *  0.3564% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG3   MET   96  22.44 +/- 1.45   0.001% *  0.3861% (0.53   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG3   MET   96  21.15 +/- 0.45   0.001% *  0.1110% (0.15   0.02   0.02) =   0.000%
          HG3   MET   11 - HG3   MET   96  30.47 +/- 2.98   0.000% *  0.3057% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1131 (2.61, 2.47, 32.67 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 115.5:
    * O T HG2   MET   96 - HG3   MET   96   1.75 +/- 0.00 100.000% * 99.8127% (0.61   4.00 115.53) = 100.000%  kept
        T HB2   PRO   52 - HG3   MET   96  19.70 +/- 1.18   0.000% *  0.1873% (0.23   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1132 (2.47, 2.47, 32.67 ppm):
    1 diagonal assignment:
    *     HG3   MET   96 - HG3   MET   96  (0.37)  kept
 
    Peak 1133 (5.36, 5.36, 56.63 ppm):
    1 diagonal assignment:
    *     HA    PHE   97 - HA    PHE   97  (1.00)  kept
 
    Peak 1134 (2.99, 5.36, 56.63 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.89, residual support = 62.6:
    * O T HB2   PHE   97 - HA    PHE   97   3.06 +/- 0.02  98.929% * 98.0625% (1.00   2.89  62.60) =  99.996%  kept
          QE    LYS+ 106 - HA    PHE   97   7.44 +/- 0.56   0.551% *  0.4921% (0.73   0.02  12.79) =   0.003%
          QE    LYS+  99 - HA    PHE   97   7.63 +/- 0.43   0.453% *  0.2786% (0.41   0.02   0.02) =   0.001%
          HB3   PHE   60 - HA    PHE   97  11.07 +/- 0.47   0.046% *  0.3565% (0.53   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   97  14.13 +/- 0.56   0.011% *  0.6762% (1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    PHE   97  14.16 +/- 0.53   0.010% *  0.1341% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1135 (2.36, 5.36, 56.63 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.44, residual support = 62.6:
    * O T HB3   PHE   97 - HA    PHE   97   2.65 +/- 0.07  99.976% * 98.4072% (0.95   3.44  62.60) = 100.000%  kept
          HB2   GLU- 100 - HA    PHE   97  11.04 +/- 0.31   0.020% *  0.4392% (0.73   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    PHE   97  16.41 +/- 0.27   0.002% *  0.5052% (0.84   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PHE   97  17.63 +/- 0.25   0.001% *  0.5424% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    PHE   97  17.84 +/- 0.47   0.001% *  0.1059% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1136 (5.36, 2.99, 40.60 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.89, residual support = 62.6:
    * O T HA    PHE   97 - HB2   PHE   97   3.06 +/- 0.02 100.000% *100.0000% (1.00   2.89  62.60) = 100.000%  kept
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1137 (2.99, 2.99, 40.60 ppm):
    1 diagonal assignment:
    *     HB2   PHE   97 - HB2   PHE   97  (1.00)  kept
 
    Peak 1138 (2.36, 2.99, 40.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.31, residual support = 62.6:
    * O T HB3   PHE   97 - HB2   PHE   97   1.75 +/- 0.00  99.998% * 98.3470% (0.95   3.31  62.60) = 100.000%  kept
          HB2   GLU- 100 - HB2   PHE   97  11.51 +/- 0.44   0.001% *  0.4558% (0.73   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   PHE   97  14.60 +/- 0.23   0.000% *  0.5243% (0.84   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PHE   97  17.79 +/- 0.34   0.000% *  0.5630% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   97  19.83 +/- 0.46   0.000% *  0.1099% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1139 (5.36, 2.36, 40.60 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.44, residual support = 62.6:
    * O T HA    PHE   97 - HB3   PHE   97   2.65 +/- 0.07 100.000% *100.0000% (0.95   3.44  62.60) = 100.000%  kept
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1140 (2.99, 2.36, 40.60 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.31, residual support = 62.6:
    * O T HB2   PHE   97 - HB3   PHE   97   1.75 +/- 0.00  99.954% * 98.3030% (0.95   3.31  62.60) = 100.000%  kept
          QE    LYS+  99 - HB3   PHE   97   7.04 +/- 0.55   0.029% *  0.2440% (0.39   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB3   PHE   97   7.60 +/- 0.35   0.016% *  0.4310% (0.69   0.02  12.79) =   0.000%
          HB3   PHE   60 - HB3   PHE   97  12.31 +/- 0.55   0.001% *  0.3123% (0.50   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   PHE   97  16.76 +/- 0.56   0.000% *  0.5922% (0.94   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   PHE   97  14.29 +/- 0.58   0.000% *  0.1175% (0.19   0.02   0.02) =   0.000%
    Distance limit 2.65 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 = 81.3:
    * O T QB    LEU   98 - HA    LEU   98   2.16 +/- 0.06  99.954% * 97.0778% (0.87   4.97  81.31) = 100.000%  kept
          HD3   LYS+ 121 - HA    LEU   98  11.23 +/- 1.17   0.007% *  0.4499% (1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LEU   98   8.53 +/- 0.61   0.029% *  0.0890% (0.20   0.02   0.26) =   0.000%
          HB3   LEU   67 - HA    LEU   98  12.07 +/- 0.49   0.003% *  0.0890% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LEU   98  16.88 +/- 0.36   0.000% *  0.4489% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LEU   98  12.92 +/- 0.31   0.002% *  0.0694% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   98  14.33 +/- 1.04   0.001% *  0.1122% (0.25   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LEU   98  16.69 +/- 0.48   0.000% *  0.2729% (0.61   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LEU   98  16.39 +/- 0.24   0.001% *  0.2367% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LEU   98  18.59 +/- 0.66   0.000% *  0.4342% (0.97   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LEU   98  17.84 +/- 1.21   0.000% *  0.2190% (0.49   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LEU   98  16.35 +/- 0.20   0.001% *  0.1389% (0.31   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   98  22.85 +/- 1.88   0.000% *  0.2729% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   98  19.52 +/- 0.47   0.000% *  0.0890% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 0.94, support = 4.43, residual support = 75.0:
    *   T QD1   LEU   98 - HA    LEU   98   3.03 +/- 0.22  71.595% * 80.5708% (1.00   4.52  81.31) =  91.357%  kept
          QD2   LEU  104 - HA    LEU   98   3.56 +/- 0.18  28.388% * 19.2250% (0.31   3.50   7.82) =   8.643%  kept
          QG2   ILE   19 - HA    LEU   98  13.09 +/- 0.53   0.012% *  0.1338% (0.38   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU   98  14.62 +/- 0.36   0.006% *  0.0705% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 4.39, residual support = 81.3:
    *   T QD2   LEU   98 - HA    LEU   98   4.04 +/- 0.12  92.478% * 98.9368% (1.00   4.39  81.31) =  99.966%  kept
          QG2   VAL   41 - HA    LEU   98   6.34 +/- 0.51   7.105% *  0.4267% (0.95   0.02  17.95) =   0.033%
          QD2   LEU   63 - HA    LEU   98  10.21 +/- 0.61   0.395% *  0.1854% (0.41   0.02   0.02) =   0.001%
        T QD1   LEU   80 - HA    LEU   98  16.40 +/- 0.69   0.022% *  0.4511% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.57 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 = 81.3:
    * O T HA    LEU   98 - QB    LEU   98   2.16 +/- 0.06 100.000% *100.0000% (0.87   4.97  81.31) = 100.000%  kept
    Distance limit 3.23 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 = 3.55, residual support = 81.3:
    * O T QD1   LEU   98 - QB    LEU   98   2.12 +/- 0.13  99.139% * 99.5055% (0.87   3.55  81.31) =  99.998%  kept
          QD2   LEU  104 - QB    LEU   98   4.78 +/- 0.21   0.851% *  0.1731% (0.27   0.02   7.82) =   0.001%
        T QG2   ILE   19 - QB    LEU   98  10.61 +/- 0.63   0.007% *  0.2104% (0.33   0.02   0.02) =   0.000%
        T QD1   ILE   19 - QB    LEU   98  11.99 +/- 0.45   0.003% *  0.1110% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1149 (0.55, 1.41, 47.50 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.44, residual support = 81.3:
    * O T QD2   LEU   98 - QB    LEU   98   2.03 +/- 0.06  98.503% * 98.6481% (0.87   3.44  81.31) =  99.992%  kept
        T QG2   VAL   41 - QB    LEU   98   4.41 +/- 0.55   1.488% *  0.5426% (0.82   0.02  17.95) =   0.008%
          QD2   LEU   63 - QB    LEU   98  10.10 +/- 0.63   0.007% *  0.2358% (0.36   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QB    LEU   98  13.19 +/- 0.66   0.001% *  0.5735% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 4.52, residual support = 81.3:
    *   T HA    LEU   98 - QD1   LEU   98   3.03 +/- 0.22 100.000% *100.0000% (1.00   4.52  81.31) = 100.000%  kept
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1151 (1.41, 0.71, 25.69 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 3.55, residual support = 81.3:
    * O T QB    LEU   98 - QD1   LEU   98   2.12 +/- 0.13  99.778% * 95.9516% (0.87   3.55  81.31) = 100.000%  kept
          HB    VAL   42 - QD1   LEU   98   7.11 +/- 1.42   0.163% *  0.1234% (0.20   0.02   0.26) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   98  10.79 +/- 1.08   0.008% *  0.6233% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   98   9.17 +/- 1.12   0.023% *  0.0962% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   98  12.46 +/- 1.30   0.003% *  0.6219% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   LEU   98  12.87 +/- 1.09   0.002% *  0.6016% (0.97   0.02   0.02) =   0.000%
        T HG    LEU   80 - QD1   LEU   98  12.24 +/- 1.22   0.003% *  0.3034% (0.49   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   98  12.62 +/- 1.14   0.003% *  0.3279% (0.53   0.02   0.02) =   0.000%
        T HG12  ILE   19 - QD1   LEU   98  13.11 +/- 0.95   0.002% *  0.3781% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   98  11.19 +/- 0.99   0.006% *  0.1234% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   98  11.57 +/- 0.90   0.005% *  0.1554% (0.25   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   98  13.30 +/- 1.20   0.002% *  0.1924% (0.31   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   98  19.16 +/- 1.45   0.000% *  0.3781% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   98  16.45 +/- 1.25   0.001% *  0.1234% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 81.3:
    * O T QD2   LEU   98 - QD1   LEU   98   2.04 +/- 0.06  96.691% * 98.3481% (1.00   2.81  81.31) =  99.977%  kept
          QG2   VAL   41 - QD1   LEU   98   4.47 +/- 1.05   3.289% *  0.6630% (0.95   0.02  17.95) =   0.023%
          QD2   LEU   63 - QD1   LEU   98   9.17 +/- 1.07   0.016% *  0.2881% (0.41   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD1   LEU   98  11.49 +/- 0.79   0.004% *  0.7008% (1.00   0.02   0.02) =   0.000%
    Distance limit 2.45 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 = 81.3:
    *   T HA    LEU   98 - QD2   LEU   98   4.04 +/- 0.12  99.977% * 99.7393% (1.00   4.39  81.31) = 100.000%  kept
        T HA    LEU   98 - QD1   LEU   80  16.40 +/- 0.69   0.023% *  0.2607% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 0.725, support = 3.59, residual support = 81.7:
    * O T QB    LEU   98 - QD2   LEU   98   2.03 +/- 0.06  52.688% * 45.1252% (0.87   3.44  81.31) =  72.466%  kept
      O   HG    LEU   80 - QD1   LEU   80   2.12 +/- 0.01  40.541% * 16.4403% (0.28   3.90  82.86) =  20.314%  kept
      O T HB2   LEU   80 - QD1   LEU   80   2.92 +/- 0.20   6.683% * 35.4454% (0.55   4.24  82.86) =   7.219%  kept
          HB    VAL   42 - QD2   LEU   98   7.15 +/- 0.62   0.032% *  0.0599% (0.20   0.02   0.26) =   0.000%
          HB3   LYS+  74 - QD1   LEU   80   9.88 +/- 1.41   0.008% *  0.1730% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD2   LEU   98   7.98 +/- 0.65   0.016% *  0.0467% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   98  11.82 +/- 0.77   0.001% *  0.3018% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   98   9.59 +/- 0.81   0.006% *  0.0754% (0.25   0.02   0.02) =   0.000%
        T HB2   LEU   80 - QD2   LEU   98  12.08 +/- 0.77   0.001% *  0.2919% (0.97   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   98  12.55 +/- 0.92   0.001% *  0.3025% (1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - QD2   LEU   98  11.32 +/- 1.04   0.002% *  0.1472% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   80   9.00 +/- 1.10   0.011% *  0.0268% (0.09   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   98  11.74 +/- 0.63   0.002% *  0.1835% (0.61   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   LEU   80  12.58 +/- 1.16   0.001% *  0.1052% (0.35   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD2   LEU   98  11.14 +/- 0.52   0.002% *  0.0599% (0.20   0.02   0.02) =   0.000%
        T QB    LEU   98 - QD1   LEU   80  13.19 +/- 0.66   0.001% *  0.1504% (0.50   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   98  13.56 +/- 0.69   0.001% *  0.1591% (0.53   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   98  13.50 +/- 0.61   0.001% *  0.0934% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   80  14.54 +/- 0.73   0.000% *  0.0912% (0.30   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   80  13.77 +/- 1.29   0.001% *  0.0432% (0.14   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   98  18.07 +/- 1.59   0.000% *  0.1835% (0.61   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   80  15.33 +/- 1.11   0.000% *  0.0535% (0.18   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   80  14.96 +/- 1.05   0.000% *  0.0343% (0.11   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   98  16.35 +/- 0.69   0.000% *  0.0599% (0.20   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   80  19.30 +/- 2.25   0.000% *  0.1052% (0.35   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   80  22.58 +/- 1.37   0.000% *  0.1734% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   80  19.36 +/- 1.02   0.000% *  0.0343% (0.11   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   80  20.06 +/- 1.37   0.000% *  0.0343% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 81.3:
    * O T QD1   LEU   98 - QD2   LEU   98   2.04 +/- 0.06  99.786% * 98.6222% (1.00   2.81  81.31) = 100.000%  kept
        T QD2   LEU  104 - QD2   LEU   98   6.23 +/- 0.24   0.129% *  0.2169% (0.31   0.02   7.82) =   0.000%
          QG2   ILE   19 - QD1   LEU   80   8.20 +/- 0.96   0.040% *  0.1512% (0.22   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD2   LEU   98   8.64 +/- 0.58   0.019% *  0.2638% (0.38   0.02   0.02) =   0.000%
        T QD1   LEU   98 - QD1   LEU   80  11.49 +/- 0.79   0.004% *  0.4028% (0.57   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   80   9.53 +/- 1.01   0.014% *  0.0797% (0.11   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   98  10.04 +/- 0.45   0.008% *  0.1391% (0.20   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   80  16.75 +/- 0.63   0.000% *  0.1243% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 172.3:
    * O T HG3   LYS+  99 - HA    LYS+  99   2.73 +/- 0.53  95.773% * 98.2978% (1.00   6.44 172.32) =  99.991%  kept
          QG2   THR   39 - HA    LYS+  99   5.61 +/- 0.56   3.851% *  0.1974% (0.65   0.02   0.02) =   0.008%
        T HG3   LYS+  38 - HA    LYS+  99   8.01 +/- 0.87   0.320% *  0.1145% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+  99  10.48 +/- 0.79   0.045% *  0.3024% (0.99   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  99  15.32 +/- 1.17   0.004% *  0.2886% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  99  18.14 +/- 0.77   0.002% *  0.3044% (1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  99  16.23 +/- 0.52   0.003% *  0.0679% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  99  20.72 +/- 1.45   0.001% *  0.1974% (0.65   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HA    LYS+  99  22.56 +/- 0.73   0.000% *  0.1254% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LYS+  99  23.22 +/- 0.24   0.000% *  0.1041% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1161 (1.70, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.559, support = 5.91, residual support = 172.3:
      O T HB3   LYS+  99 - HA    LYS+  99   2.74 +/- 0.25  87.450% * 29.2472% (0.41   5.95 172.32) =  74.869%  kept
    *   T QD    LYS+  99 - HA    LYS+  99   3.84 +/- 0.15  12.340% * 69.5701% (1.00   5.82 172.32) =  25.130%  kept
          QD    LYS+ 102 - HA    LYS+  99   7.93 +/- 0.26   0.162% *  0.0533% (0.22   0.02   1.32) =   0.000%
        T QD    LYS+ 106 - HA    LYS+  99  10.60 +/- 0.52   0.030% *  0.2387% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+  99  12.22 +/- 0.57   0.013% *  0.2208% (0.92   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HA    LYS+  99  17.25 +/- 0.36   0.002% *  0.1259% (0.53   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  99  16.98 +/- 0.73   0.002% *  0.0984% (0.41   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  99  21.16 +/- 0.88   0.000% *  0.1916% (0.80   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+  99  23.69 +/- 0.75   0.000% *  0.1643% (0.69   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  99  23.10 +/- 0.39   0.000% *  0.0898% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1162 (1.33, 4.38, 58.15 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.08, residual support = 172.3:
    * O T HG2   LYS+  99 - HA    LYS+  99   2.66 +/- 0.35  95.016% * 98.2876% (1.00   7.08 172.32) =  99.996%  kept
          HG    LEU   98 - HA    LYS+  99   5.38 +/- 0.99   4.694% *  0.0618% (0.22   0.02  15.74) =   0.003%
        T HG2   LYS+  38 - HA    LYS+  99   7.75 +/- 0.88   0.253% *  0.2722% (0.98   0.02   0.02) =   0.001%
          HB2   LEU   31 - HA    LYS+  99  11.70 +/- 0.89   0.019% *  0.2319% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  99  14.15 +/- 0.36   0.005% *  0.1572% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  99  14.59 +/- 0.34   0.004% *  0.1245% (0.45   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  99  14.76 +/- 1.12   0.005% *  0.0857% (0.31   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  99  17.43 +/- 0.33   0.002% *  0.0947% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  99  20.23 +/- 0.59   0.001% *  0.1907% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  99  22.29 +/- 0.35   0.000% *  0.2490% (0.90   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  99  23.20 +/- 0.65   0.000% *  0.2016% (0.73   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  99  19.95 +/- 0.35   0.001% *  0.0428% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1163 (3.01, 4.38, 58.15 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.47, residual support = 172.3:
    *   T QE    LYS+  99 - HA    LYS+  99   4.01 +/- 0.20  96.195% * 99.1146% (1.00   5.47 172.32) =  99.990%  kept
        T QE    LYS+  38 - HA    LYS+  99   8.46 +/- 0.72   1.299% *  0.3250% (0.90   0.02   0.02) =   0.004%
        T QE    LYS+ 102 - HA    LYS+  99   8.53 +/- 0.29   1.128% *  0.2489% (0.69   0.02   1.32) =   0.003%
          HB2   PHE   97 - HA    LYS+  99   8.22 +/- 0.16   1.353% *  0.1490% (0.41   0.02   0.02) =   0.002%
          HB3   TRP   27 - HA    LYS+  99  16.21 +/- 0.68   0.025% *  0.1625% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1164 (4.38, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.983, support = 6.88, residual support = 169.4:
    * O T HA    LYS+  99 - HB2   LYS+  99   2.84 +/- 0.21  79.245% * 92.6938% (1.00   7.00 172.32) =  98.293%  kept
          HA    LEU   40 - HB2   LYS+  99   3.83 +/- 0.88  20.676% *  6.1706% (0.25   1.87  12.46) =   1.707%
          HA    ASN   35 - HB2   LYS+  99   9.39 +/- 0.76   0.066% *  0.2556% (0.97   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LYS+  99  13.39 +/- 0.78   0.009% *  0.2297% (0.87   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LYS+  99  20.39 +/- 0.81   0.001% *  0.2505% (0.95   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   LYS+  99  17.74 +/- 0.73   0.001% *  0.0660% (0.25   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LYS+  99  22.30 +/- 0.62   0.000% *  0.2212% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LYS+  99  18.36 +/- 1.37   0.001% *  0.0358% (0.14   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LYS+  99  21.14 +/- 0.76   0.000% *  0.0409% (0.15   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LYS+  99  24.05 +/- 1.87   0.000% *  0.0358% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 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 = 172.3:
    * O T HG3   LYS+  99 - HB2   LYS+  99   2.52 +/- 0.21  99.480% * 98.2972% (1.00   6.44 172.32) =  99.999%  kept
          QG2   THR   39 - HB2   LYS+  99   6.60 +/- 0.81   0.472% *  0.1975% (0.65   0.02   0.02) =   0.001%
        T HG3   LYS+  38 - HB2   LYS+  99   9.98 +/- 0.89   0.033% *  0.1146% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - HB2   LYS+  99  12.35 +/- 1.29   0.011% *  0.3025% (0.99   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  99  17.05 +/- 1.54   0.001% *  0.2887% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  99  19.12 +/- 0.95   0.001% *  0.3046% (1.00   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  99  16.06 +/- 0.85   0.002% *  0.0680% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  99  21.02 +/- 1.52   0.000% *  0.1975% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+  99  22.19 +/- 0.48   0.000% *  0.1041% (0.34   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HB2   LYS+  99  23.55 +/- 0.74   0.000% *  0.1255% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.582, support = 5.04, residual support = 172.3:
      O   HB3   LYS+  99 - HB2   LYS+  99   1.75 +/- 0.00  87.601% * 25.2998% (0.41   4.77 172.32) =  70.913%  kept
    * O   QD    LYS+  99 - HB2   LYS+  99   2.51 +/- 0.30  12.381% * 73.4253% (1.00   5.69 172.32) =  29.086%  kept
          QD    LYS+ 102 - HB2   LYS+  99   7.68 +/- 0.66   0.015% *  0.0574% (0.22   0.02   1.32) =   0.000%
          QD    LYS+ 106 - HB2   LYS+  99  10.33 +/- 0.51   0.002% *  0.2573% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+  99  13.78 +/- 0.98   0.000% *  0.2381% (0.92   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+  99  14.89 +/- 0.71   0.000% *  0.1060% (0.41   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB2   LYS+  99  16.73 +/- 0.70   0.000% *  0.1357% (0.53   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+  99  21.25 +/- 0.80   0.000% *  0.2065% (0.80   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HB2   LYS+  99  22.41 +/- 0.89   0.000% *  0.1771% (0.69   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+  99  23.02 +/- 0.62   0.000% *  0.0968% (0.38   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 = 7.08, residual support = 172.3:
    * O   HG2   LYS+  99 - HB2   LYS+  99   2.97 +/- 0.18  98.430% * 98.2876% (1.00   7.08 172.32) =  99.999%  kept
          HG    LEU   98 - HB2   LYS+  99   6.54 +/- 0.77   1.424% *  0.0618% (0.22   0.02  15.74) =   0.001%
          HG2   LYS+  38 - HB2   LYS+  99   9.85 +/- 0.92   0.091% *  0.2722% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+  99  14.27 +/- 1.04   0.010% *  0.2320% (0.84   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  99  12.71 +/- 1.12   0.021% *  0.0857% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  99  13.71 +/- 0.74   0.011% *  0.1572% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  99  14.80 +/- 0.71   0.007% *  0.1245% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  99  21.17 +/- 0.53   0.001% *  0.2490% (0.90   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  99  18.05 +/- 0.55   0.002% *  0.0947% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  99  21.92 +/- 0.92   0.001% *  0.1908% (0.69   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  99  23.98 +/- 0.70   0.000% *  0.2016% (0.73   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+  99  21.06 +/- 0.57   0.001% *  0.0428% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 5.21, residual support = 172.3:
    *     QE    LYS+  99 - HB2   LYS+  99   3.80 +/- 0.44  95.663% * 99.0706% (1.00   5.21 172.32) =  99.990%  kept
          HB2   PHE   97 - HB2   LYS+  99   7.14 +/- 0.49   2.466% *  0.1564% (0.41   0.02   0.02) =   0.004%
          QE    LYS+ 102 - HB2   LYS+  99   8.12 +/- 0.58   1.433% *  0.2613% (0.69   0.02   1.32) =   0.004%
          QE    LYS+  38 - HB2   LYS+  99   9.88 +/- 0.86   0.429% *  0.3412% (0.90   0.02   0.02) =   0.002%
          HB3   TRP   27 - HB2   LYS+  99  18.28 +/- 0.98   0.009% *  0.1706% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1170 (4.38, 1.24, 26.01 ppm):
    30 chemical-shift based assignments, quality = 0.986, support = 6.35, residual support = 169.8:
    * O T HA    LYS+  99 - HG3   LYS+  99   2.73 +/- 0.53  65.036% * 94.9074% (1.00   6.44 172.32) =  98.566%  kept
          HA    LEU   40 - HG3   LYS+  99   3.43 +/- 1.26  29.896% *  2.9976% (0.25   0.82  12.46) =   1.431%
          HA    ASN   35 - HG3   LYS+  38   5.15 +/- 0.66   4.554% *  0.0297% (0.10   0.02   0.02) =   0.002%
          HA    ASN   35 - HG3   LYS+  99   8.27 +/- 1.15   0.109% *  0.2843% (0.97   0.02   0.02) =   0.000%
        T HA    LYS+  99 - HG3   LYS+  38   8.01 +/- 0.87   0.248% *  0.0307% (0.10   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  99  14.04 +/- 0.73   0.007% *  0.2555% (0.87   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   LYS+  38   8.84 +/- 0.52   0.131% *  0.0077% (0.03   0.02   0.02) =   0.000%
          HA    ILE   56 - HG12  ILE   89  19.28 +/- 0.39   0.001% *  0.1130% (0.38   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  99  21.81 +/- 0.89   0.000% *  0.2787% (0.95   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  99  18.89 +/- 0.80   0.001% *  0.0735% (0.25   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  99  17.30 +/- 1.60   0.002% *  0.0399% (0.14   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  99  24.21 +/- 0.51   0.000% *  0.2461% (0.84   0.02   0.02) =   0.000%
          HA    ASN   35 - HG12  ILE   89  22.67 +/- 1.27   0.000% *  0.1153% (0.39   0.02   0.02) =   0.000%
        T HA    LYS+  99 - HG12  ILE   89  22.56 +/- 0.73   0.000% *  0.1195% (0.41   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  38  17.84 +/- 2.42   0.010% *  0.0042% (0.01   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG12  ILE   89  24.79 +/- 0.42   0.000% *  0.0998% (0.34   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  38  20.85 +/- 1.16   0.001% *  0.0267% (0.09   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  99  21.99 +/- 0.96   0.000% *  0.0455% (0.15   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  99  22.56 +/- 2.14   0.000% *  0.0399% (0.14   0.02   0.02) =   0.000%
          HA    LEU   40 - HG12  ILE   89  22.47 +/- 0.75   0.000% *  0.0298% (0.10   0.02   0.02) =   0.000%
          HA    PHE   59 - HG12  ILE   89  22.74 +/- 0.26   0.000% *  0.0298% (0.10   0.02   0.02) =   0.000%
          HA    LEU  123 - HG12  ILE   89  30.56 +/- 0.43   0.000% *  0.1036% (0.35   0.02   0.02) =   0.000%
          HA    PRO   58 - HG12  ILE   89  23.17 +/- 0.32   0.000% *  0.0184% (0.06   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  38  21.48 +/- 3.10   0.001% *  0.0042% (0.01   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  38  27.62 +/- 1.49   0.000% *  0.0291% (0.10   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  38  24.99 +/- 1.55   0.000% *  0.0077% (0.03   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG12  ILE   89  27.06 +/- 0.67   0.000% *  0.0162% (0.05   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  38  31.31 +/- 1.23   0.000% *  0.0257% (0.09   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  38  27.23 +/- 1.77   0.000% *  0.0047% (0.02   0.02   0.02) =   0.000%
          HA    SER   13 - HG12  ILE   89  33.12 +/- 1.53   0.000% *  0.0162% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1172 (1.24, 1.24, 26.01 ppm):
    3 diagonal assignments:
    *     HG3   LYS+  99 - HG3   LYS+  99  (1.00)  kept
          HG12  ILE   89 - HG12  ILE   89  (0.17)  kept
          HG3   LYS+  38 - HG3   LYS+  38  (0.04)  kept
 
    Peak 1175 (3.01, 1.24, 26.01 ppm):
    15 chemical-shift based assignments, quality = 0.945, support = 4.74, residual support = 174.9:
    * O T QE    LYS+  99 - HG3   LYS+  99   2.46 +/- 0.44  56.820% * 90.7668% (1.00   4.77 172.32) =  93.985%  kept
      O T QE    LYS+  38 - HG3   LYS+  38   2.59 +/- 0.41  43.020% *  7.6715% (0.09   4.31 215.13) =   6.014%  kept
        T QE    LYS+  38 - HG3   LYS+  99   8.25 +/- 0.98   0.048% *  0.3412% (0.90   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  99   9.39 +/- 0.57   0.025% *  0.2613% (0.69   0.02   1.32) =   0.000%
          HB2   PHE   97 - HG3   LYS+  99   9.27 +/- 0.37   0.019% *  0.1564% (0.41   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  38   7.95 +/- 0.70   0.058% *  0.0397% (0.10   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG12  ILE   89  13.45 +/- 0.80   0.003% *  0.0692% (0.18   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  38  12.30 +/- 1.63   0.006% *  0.0273% (0.07   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  99  18.36 +/- 1.40   0.000% *  0.1706% (0.45   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG12  ILE   89  20.17 +/- 0.90   0.000% *  0.1060% (0.28   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG12  ILE   89  18.92 +/- 0.40   0.000% *  0.0634% (0.17   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  38  15.96 +/- 0.78   0.001% *  0.0163% (0.04   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG12  ILE   89  23.09 +/- 0.69   0.000% *  0.1543% (0.41   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  38  18.37 +/- 1.22   0.000% *  0.0178% (0.05   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG12  ILE   89  26.00 +/- 1.03   0.000% *  0.1384% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.963, support = 5.57, residual support = 164.4:
    *   T HA    LYS+  99 - QD    LYS+  99   3.84 +/- 0.15  40.380% * 93.8345% (1.00   5.82 172.32) =  95.048%  kept
          HA    LEU   40 - QD    LYS+  99   3.60 +/- 0.62  59.000% *  3.3433% (0.25   0.83  12.46) =   4.948%  kept
          HA    ASN   35 - QD    LYS+  99   9.19 +/- 0.77   0.214% *  0.3114% (0.97   0.02   0.02) =   0.002%
        T HA    LEU  123 - QD    LYS+  99  10.57 +/- 0.86   0.112% *  0.2799% (0.87   0.02   0.02) =   0.001%
        T HA    LYS+  99 - QD    LYS+ 106  10.60 +/- 0.52   0.099% *  0.2598% (0.81   0.02   0.02) =   0.001%
        T HA    ILE   56 - QD    LYS+ 106  13.60 +/- 0.66   0.022% *  0.2458% (0.76   0.02   0.02) =   0.000%
          HA    LEU   40 - QD    LYS+ 106  10.94 +/- 0.55   0.082% *  0.0648% (0.20   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    LYS+ 106  13.96 +/- 0.83   0.019% *  0.2507% (0.78   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+ 106  15.27 +/- 0.50   0.011% *  0.2170% (0.67   0.02   0.02) =   0.000%
        T HA    LEU  123 - QD    LYS+ 106  16.67 +/- 0.43   0.006% *  0.2254% (0.70   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+ 106  14.19 +/- 0.50   0.017% *  0.0648% (0.20   0.02   0.02) =   0.000%
        T HA    ILE   56 - QD    LYS+  99  18.55 +/- 0.44   0.003% *  0.3052% (0.95   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+  99  15.64 +/- 0.47   0.009% *  0.0805% (0.25   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+  99  20.24 +/- 0.53   0.002% *  0.2695% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+  99  15.48 +/- 1.29   0.010% *  0.0437% (0.14   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+ 106  17.00 +/- 0.60   0.006% *  0.0401% (0.12   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+  99  18.63 +/- 0.47   0.003% *  0.0498% (0.15   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+  99  20.28 +/- 1.75   0.002% *  0.0437% (0.14   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+ 106  20.55 +/- 1.21   0.002% *  0.0352% (0.11   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+ 106  26.53 +/- 1.48   0.000% *  0.0352% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1179 (1.33, 1.70, 30.22 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.87, residual support = 172.3:
    * O   HG2   LYS+  99 - QD    LYS+  99   2.37 +/- 0.14  99.375% * 96.0897% (1.00   5.87 172.32) =  99.999%  kept
          HG    LEU   98 - QD    LYS+ 106   6.79 +/- 0.98   0.354% *  0.0587% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+  99   8.80 +/- 0.73   0.042% *  0.3211% (0.98   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  99   7.55 +/- 0.61   0.110% *  0.0729% (0.22   0.02  15.74) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 106   9.58 +/- 0.76   0.028% *  0.1182% (0.36   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+ 106  10.95 +/- 0.68   0.012% *  0.2365% (0.72   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 106   9.85 +/- 0.70   0.023% *  0.0900% (0.27   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  99  10.53 +/- 1.12   0.018% *  0.1011% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    LYS+ 106  12.41 +/- 0.46   0.005% *  0.2638% (0.81   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  99  11.92 +/- 0.53   0.007% *  0.1855% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 106  12.59 +/- 0.56   0.005% *  0.1493% (0.46   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  99  13.93 +/- 0.90   0.003% *  0.2736% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 106  13.72 +/- 1.25   0.003% *  0.2203% (0.67   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 106  13.95 +/- 0.65   0.003% *  0.1915% (0.58   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  99  13.85 +/- 0.49   0.003% *  0.1469% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 106  14.80 +/- 1.13   0.002% *  0.1812% (0.55   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+ 106  16.50 +/- 0.88   0.001% *  0.2585% (0.79   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 106  12.85 +/- 0.65   0.004% *  0.0407% (0.12   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 106  14.36 +/- 0.77   0.002% *  0.0814% (0.25   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  99  19.98 +/- 0.44   0.000% *  0.2938% (0.90   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  99  17.24 +/- 0.40   0.001% *  0.1117% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  99  20.87 +/- 0.64   0.000% *  0.2250% (0.69   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  99  22.96 +/- 0.51   0.000% *  0.2379% (0.73   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  99  20.10 +/- 0.35   0.000% *  0.0505% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.70 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 = 172.3:
    * O T HG3   LYS+  99 - QD    LYS+  99   2.40 +/- 0.15  97.777% * 96.0391% (1.00   5.27 172.32) =  99.995%  kept
          QG2   THR   39 - QD    LYS+  99   5.00 +/- 0.76   2.078% *  0.2356% (0.65   0.02   0.02) =   0.005%
        T HG3   LYS+  38 - QD    LYS+  99   8.76 +/- 0.72   0.052% *  0.1367% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  99  10.72 +/- 1.08   0.016% *  0.3610% (0.99   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+ 106  11.59 +/- 1.91   0.015% *  0.1897% (0.52   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+ 106  12.24 +/- 0.52   0.006% *  0.2932% (0.81   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+ 106   9.74 +/- 0.77   0.026% *  0.0653% (0.18   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+ 106  12.56 +/- 0.58   0.005% *  0.1897% (0.52   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 106  13.58 +/- 1.02   0.003% *  0.2926% (0.80   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 106  11.96 +/- 0.62   0.007% *  0.1000% (0.27   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  99  15.08 +/- 1.17   0.002% *  0.3445% (0.95   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+ 106  12.62 +/- 0.65   0.005% *  0.1205% (0.33   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 106  15.52 +/- 0.89   0.001% *  0.2906% (0.80   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  99  17.70 +/- 0.92   0.001% *  0.3634% (1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 106  17.31 +/- 0.95   0.001% *  0.2774% (0.76   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+  99  14.87 +/- 0.54   0.002% *  0.0811% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+ 106  16.86 +/- 1.14   0.001% *  0.1101% (0.30   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  99  19.92 +/- 1.13   0.000% *  0.2356% (0.65   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  99  20.83 +/- 0.36   0.000% *  0.1242% (0.34   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+  99  22.85 +/- 0.54   0.000% *  0.1497% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.72 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 = 4.45, residual support = 172.3:
    * O T QE    LYS+  99 - QD    LYS+  99   2.09 +/- 0.03  99.615% * 97.7112% (1.00   4.45 172.32) =  99.999%  kept
          HB2   PHE   97 - QD    LYS+ 106   5.66 +/- 0.31   0.266% *  0.1453% (0.33   0.02  12.79) =   0.000%
        T QE    LYS+  38 - QD    LYS+  99   8.50 +/- 0.78   0.028% *  0.3936% (0.90   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.57 +/- 0.32   0.046% *  0.1804% (0.41   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+ 106   8.71 +/- 0.76   0.023% *  0.2427% (0.55   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  99   9.06 +/- 0.46   0.016% *  0.3015% (0.69   0.02   1.32) =   0.000%
        T QE    LYS+  99 - QD    LYS+ 106  11.82 +/- 0.59   0.003% *  0.3533% (0.81   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  14.30 +/- 1.11   0.001% *  0.1584% (0.36   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 106  16.23 +/- 0.68   0.000% *  0.3169% (0.72   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  17.39 +/- 0.75   0.000% *  0.1968% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 0.819, support = 4.63, residual support = 133.8:
    *   T HA    LYS+  99 - QE    LYS+  99   4.01 +/- 0.20  21.629% * 88.8342% (1.00   5.47 172.32) =  75.884%  kept
          HA    LEU   40 - QE    LYS+  99   3.21 +/- 0.27  75.705% *  8.0613% (0.25   1.99  12.46) =  24.103%  kept
          HA    ASN   35 - QE    LYS+  38   6.36 +/- 0.66   1.504% *  0.0846% (0.26   0.02   0.02) =   0.005%
          HA    ASN   35 - QE    LYS+  99   8.47 +/- 0.86   0.285% *  0.3135% (0.97   0.02   0.02) =   0.004%
        T HA    LYS+  99 - QE    LYS+ 102   8.53 +/- 0.29   0.224% *  0.2215% (0.68   0.02   1.32) =   0.002%
        T HA    LYS+  99 - QE    LYS+  38   8.46 +/- 0.72   0.253% *  0.0876% (0.27   0.02   0.02) =   0.001%
          HA    LEU  123 - QE    LYS+  99  10.77 +/- 0.87   0.064% *  0.2817% (0.87   0.02   0.02) =   0.001%
          HA    ASN   35 - QE    LYS+ 102  11.14 +/- 1.03   0.055% *  0.2138% (0.66   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+ 102  10.52 +/- 0.34   0.065% *  0.0552% (0.17   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+  38   9.38 +/- 0.50   0.137% *  0.0218% (0.07   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  99  18.64 +/- 0.53   0.002% *  0.3072% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  99  13.87 +/- 1.04   0.014% *  0.0440% (0.14   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  99  15.59 +/- 0.53   0.006% *  0.0810% (0.25   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+ 102  18.31 +/- 0.86   0.002% *  0.1921% (0.59   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  38  17.40 +/- 2.61   0.036% *  0.0119% (0.04   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  99  20.95 +/- 0.73   0.001% *  0.2713% (0.84   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+  38  19.25 +/- 1.52   0.002% *  0.0760% (0.23   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+ 102  22.30 +/- 0.53   0.001% *  0.2095% (0.65   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+ 102  22.76 +/- 0.81   0.001% *  0.1850% (0.57   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  99  18.25 +/- 0.49   0.002% *  0.0501% (0.15   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  99  18.51 +/- 1.56   0.002% *  0.0440% (0.14   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  38  20.37 +/- 3.20   0.005% *  0.0119% (0.04   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+ 102  21.26 +/- 0.53   0.001% *  0.0552% (0.17   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  38  26.20 +/- 1.43   0.000% *  0.0829% (0.26   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+ 102  23.41 +/- 1.10   0.001% *  0.0300% (0.09   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  38  23.72 +/- 1.63   0.001% *  0.0218% (0.07   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+ 102  24.51 +/- 0.42   0.000% *  0.0342% (0.11   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  38  29.12 +/- 1.24   0.000% *  0.0732% (0.23   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  38  25.84 +/- 1.88   0.000% *  0.0135% (0.04   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+ 102  28.47 +/- 1.78   0.000% *  0.0300% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1189 (1.72, 3.01, 42.52 ppm):
    18 chemical-shift based assignments, quality = 0.534, support = 4.63, residual support = 172.3:
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  91.525% * 25.2366% (0.41   4.45 172.32) =  79.059%  kept
          HB3   LYS+  99 - QE    LYS+  99   3.66 +/- 0.65   8.366% * 73.1327% (1.00   5.31 172.32) =  20.941%  kept
          HB3   LYS+  99 - QE    LYS+ 102   8.31 +/- 0.74   0.029% *  0.1880% (0.68   0.02   1.32) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102   8.71 +/- 0.76   0.020% *  0.0706% (0.26   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+ 102   9.06 +/- 0.46   0.015% *  0.0773% (0.28   0.02   1.32) =   0.000%
          HB3   LYS+  99 - QE    LYS+  38   9.66 +/- 0.94   0.013% *  0.0744% (0.27   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+  38   8.50 +/- 0.78   0.026% *  0.0306% (0.11   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  11.82 +/- 0.59   0.003% *  0.1035% (0.38   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  99  15.72 +/- 0.49   0.001% *  0.2702% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  12.47 +/- 0.65   0.002% *  0.0614% (0.22   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 102  18.00 +/- 0.51   0.000% *  0.1843% (0.67   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  16.46 +/- 0.57   0.000% *  0.0419% (0.15   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+ 102  20.99 +/- 0.74   0.000% *  0.1437% (0.52   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  16.23 +/- 0.68   0.000% *  0.0279% (0.10   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  99  22.65 +/- 0.44   0.000% *  0.2107% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  16.37 +/- 1.06   0.000% *  0.0166% (0.06   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  38  22.29 +/- 1.10   0.000% *  0.0729% (0.26   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  38  25.87 +/- 0.85   0.000% *  0.0568% (0.21   0.02   0.02) =   0.000%
    Distance limit 2.59 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 = 0.933, support = 4.63, residual support = 169.6:
    * O T HG3   LYS+  99 - QE    LYS+  99   2.46 +/- 0.44  50.637% * 77.4245% (1.00   4.77 172.32) =  90.695%  kept
      O T HG3   LYS+  38 - QE    LYS+  38   2.59 +/- 0.41  37.803% *  7.0800% (0.10   4.31 215.13) =   6.191%  kept
          QG2   THR   39 - QE    LYS+  99   3.44 +/- 0.88  11.312% * 11.8960% (0.65   1.13   0.02) =   3.113%  kept
          HG    LEU   71 - QE    LYS+  99   9.20 +/- 1.34   0.030% *  0.3216% (0.99   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QE    LYS+  99   7.95 +/- 0.70   0.050% *  0.1218% (0.38   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+  38   7.56 +/- 0.69   0.082% *  0.0566% (0.17   0.02  30.30) =   0.000%
        T HG3   LYS+  99 - QE    LYS+ 102   9.39 +/- 0.57   0.021% *  0.2213% (0.68   0.02   1.32) =   0.000%
        T HG3   LYS+  99 - QE    LYS+  38   8.25 +/- 0.98   0.043% *  0.0875% (0.27   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  99  13.72 +/- 1.38   0.002% *  0.3070% (0.95   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  38  12.02 +/- 1.68   0.007% *  0.0868% (0.27   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+ 102  11.96 +/- 0.71   0.004% *  0.1432% (0.44   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QE    LYS+ 102  12.30 +/- 1.63   0.005% *  0.0831% (0.26   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  99  17.17 +/- 0.84   0.001% *  0.3238% (1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 102  17.20 +/- 0.62   0.000% *  0.2193% (0.68   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  99  14.94 +/- 0.46   0.001% *  0.0722% (0.22   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  38  16.75 +/- 1.84   0.001% *  0.0828% (0.26   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+ 102  19.49 +/- 2.17   0.000% *  0.1432% (0.44   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  99  20.10 +/- 1.12   0.000% *  0.2099% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+ 102  21.16 +/- 0.64   0.000% *  0.2208% (0.68   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 102  21.03 +/- 0.93   0.000% *  0.2093% (0.65   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+ 102  17.35 +/- 0.55   0.000% *  0.0493% (0.15   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+ 102  20.17 +/- 0.90   0.000% *  0.0910% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  99  21.60 +/- 0.62   0.000% *  0.1107% (0.34   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  99  23.09 +/- 0.69   0.000% *  0.1334% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+ 102  21.05 +/- 0.70   0.000% *  0.0755% (0.23   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  38  22.16 +/- 1.51   0.000% *  0.0874% (0.27   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  38  24.25 +/- 1.47   0.000% *  0.0566% (0.17   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  38  20.73 +/- 1.24   0.000% *  0.0195% (0.06   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  38  26.00 +/- 1.03   0.000% *  0.0360% (0.11   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  38  28.74 +/- 0.84   0.000% *  0.0299% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 72.7:
    * O T HB2   GLU- 100 - HA    GLU- 100   3.02 +/- 0.04  97.790% * 98.4204% (1.00   4.26  72.68) =  99.999%  kept
        T HB2   GLU- 100 - HA    LYS+  38   6.34 +/- 1.51   1.965% *  0.0279% (0.06   0.02   0.02) =   0.001%
          HB3   PHE   97 - HA    GLU- 100  10.95 +/- 0.13   0.044% *  0.4140% (0.90   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    GLU- 100  11.14 +/- 0.71   0.043% *  0.1284% (0.28   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    LYS+  38   9.28 +/- 0.62   0.131% *  0.0078% (0.02   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    LYS+  38  12.01 +/- 0.57   0.026% *  0.0250% (0.05   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU- 100  23.29 +/- 0.58   0.000% *  0.2614% (0.57   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU- 100  26.15 +/- 0.32   0.000% *  0.4525% (0.98   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    GLU- 100  27.61 +/- 0.31   0.000% *  0.2070% (0.45   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  38  21.99 +/- 0.51   0.001% *  0.0158% (0.03   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    LYS+  38  26.91 +/- 0.62   0.000% *  0.0273% (0.06   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    LYS+  38  26.98 +/- 0.68   0.000% *  0.0125% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 72.7:
    * O T HB3   GLU- 100 - HA    GLU- 100   2.38 +/- 0.03  98.456% * 96.9116% (1.00   4.26  72.68) = 100.000%  kept
        T HB3   GLU- 100 - HA    LYS+  38   5.49 +/- 1.55   1.522% *  0.0275% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLU- 100  13.78 +/- 0.65   0.003% *  0.4506% (0.99   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 100  15.91 +/- 0.72   0.001% *  0.4196% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+  38  11.46 +/- 0.34   0.008% *  0.0272% (0.06   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 100  18.80 +/- 1.03   0.000% *  0.2574% (0.57   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 100  17.09 +/- 1.66   0.001% *  0.1012% (0.22   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LYS+  38  13.42 +/- 0.57   0.003% *  0.0254% (0.06   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU- 100  22.13 +/- 0.40   0.000% *  0.4506% (0.99   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU- 100  23.28 +/- 0.57   0.000% *  0.3943% (0.87   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+  38  14.62 +/- 1.87   0.003% *  0.0061% (0.01   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 100  21.90 +/- 0.59   0.000% *  0.1012% (0.22   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU- 100  25.03 +/- 0.56   0.000% *  0.2213% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+  38  16.92 +/- 1.42   0.001% *  0.0156% (0.03   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU- 100  25.69 +/- 0.66   0.000% *  0.1264% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLU- 100  31.39 +/- 0.50   0.000% *  0.3640% (0.80   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+  38  22.60 +/- 0.77   0.000% *  0.0272% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+  38  19.76 +/- 1.06   0.000% *  0.0061% (0.01   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LYS+  38  24.63 +/- 0.66   0.000% *  0.0238% (0.05   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LYS+  38  24.96 +/- 0.69   0.000% *  0.0134% (0.03   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LYS+  38  30.78 +/- 0.86   0.000% *  0.0220% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LYS+  38  26.73 +/- 0.73   0.000% *  0.0076% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1197 (2.23, 3.81, 57.72 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.73, residual support = 72.7:
    * O T HG2   GLU- 100 - HA    GLU- 100   2.83 +/- 0.20  91.907% * 98.1354% (1.00   4.73  72.68) =  99.998%  kept
        T HG2   GLU- 100 - HA    LYS+  38   4.93 +/- 1.25   8.026% *  0.0251% (0.06   0.02   0.02) =   0.002%
          HB2   MET   96 - HA    GLU- 100  13.55 +/- 0.34   0.008% *  0.3014% (0.73   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU- 100  15.13 +/- 0.14   0.004% *  0.3600% (0.87   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  12.95 +/- 0.43   0.011% *  0.1281% (0.31   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU- 100  17.54 +/- 0.73   0.002% *  0.1558% (0.38   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  11.66 +/- 0.80   0.024% *  0.0077% (0.02   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LYS+  38  13.88 +/- 0.62   0.007% *  0.0182% (0.04   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  19.40 +/- 1.10   0.001% *  0.1035% (0.25   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU- 100  25.56 +/- 0.58   0.000% *  0.4113% (0.99   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  38  16.65 +/- 0.64   0.002% *  0.0218% (0.05   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LYS+  38  15.17 +/- 0.30   0.004% *  0.0094% (0.02   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU- 100  26.42 +/- 1.66   0.000% *  0.2020% (0.49   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  22.51 +/- 0.79   0.000% *  0.0727% (0.18   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  17.36 +/- 1.52   0.002% *  0.0063% (0.02   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  38  24.47 +/- 0.47   0.000% *  0.0249% (0.06   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  20.58 +/- 0.44   0.001% *  0.0044% (0.01   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  38  26.81 +/- 1.78   0.000% *  0.0122% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 1 structures by 0.02 A, kept.
 
    Peak 1198 (3.81, 2.37, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 72.7:
    * O T HA    GLU- 100 - HB2   GLU- 100   3.02 +/- 0.04  98.030% * 98.7897% (1.00   4.26  72.68) =  99.998%  kept
        T HA    LYS+  38 - HB2   GLU- 100   6.34 +/- 1.51   1.969% *  0.1032% (0.22   0.02   0.02) =   0.002%
          HA    VAL   83 - HB2   GLU- 100  23.41 +/- 0.72   0.000% *  0.4624% (1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB2   GLU- 100  27.56 +/- 0.44   0.000% *  0.4542% (0.98   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLU- 100  29.16 +/- 0.69   0.000% *  0.1905% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 72.7:
    * O T HB3   GLU- 100 - HB2   GLU- 100   1.75 +/- 0.00 100.000% * 94.0293% (1.00   2.00  72.68) = 100.000%  kept
          HB2   GLN   30 - HB2   GLU- 100  16.15 +/- 0.58   0.000% *  0.9320% (0.99   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU- 100  18.36 +/- 0.62   0.000% *  0.8680% (0.92   0.02   0.02) =   0.000%
          HB    ILE  119 - HB2   GLU- 100  21.48 +/- 0.45   0.000% *  0.9320% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB2   GLU- 100  19.99 +/- 1.32   0.000% *  0.5324% (0.57   0.02   0.02) =   0.000%
          HB    VAL  108 - HB2   GLU- 100  22.32 +/- 0.70   0.000% *  0.8156% (0.87   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB2   GLU- 100  18.91 +/- 1.53   0.000% *  0.2093% (0.22   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   GLU- 100  25.32 +/- 0.46   0.000% *  0.4577% (0.49   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB2   GLU- 100  23.60 +/- 0.48   0.000% *  0.2093% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU- 100  24.82 +/- 0.70   0.000% *  0.2614% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB2   GLU- 100  31.86 +/- 0.48   0.000% *  0.7529% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.47 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 = 0.02, residual support = 72.7:
    * O T HG2   GLU- 100 - HB2   GLU- 100   3.03 +/- 0.03  99.965% * 19.3053% (1.00   0.02  72.68) =  99.979%  kept
          HB2   ASP- 105 - HB2   GLU- 100  13.97 +/- 0.51   0.011% * 16.7460% (0.87   0.02   0.02) =   0.009%
          HB2   MET   96 - HB2   GLU- 100  13.97 +/- 0.43   0.011% * 14.0185% (0.73   0.02   0.02) =   0.008%
          HB    VAL   70 - HB2   GLU- 100  14.00 +/- 0.38   0.010% *  5.9585% (0.31   0.02   0.02) =   0.003%
          HB2   GLU-  29 - HB2   GLU- 100  20.12 +/- 0.71   0.001% *  7.2455% (0.38   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   GLU- 100  20.97 +/- 0.92   0.001% *  4.8138% (0.25   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLU- 100  26.91 +/- 0.66   0.000% * 19.1345% (0.99   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU- 100  26.56 +/- 1.78   0.000% *  9.3969% (0.49   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   GLU- 100  24.84 +/- 0.78   0.000% *  3.3810% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 9 structures by 0.29 A, eliminated.
    Peak unassigned.
 
    Peak 1202 (3.81, 2.04, 29.04 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 72.7:
    * O T HA    GLU- 100 - HB3   GLU- 100   2.38 +/- 0.03  98.477% * 98.7897% (1.00   4.26  72.68) =  99.998%  kept
        T HA    LYS+  38 - HB3   GLU- 100   5.49 +/- 1.55   1.523% *  0.1032% (0.22   0.02   0.02) =   0.002%
          HA    VAL   83 - HB3   GLU- 100  24.03 +/- 0.60   0.000% *  0.4624% (1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB3   GLU- 100  28.59 +/- 0.29   0.000% *  0.4542% (0.98   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLU- 100  30.16 +/- 0.58   0.000% *  0.1905% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 72.7:
    * O T HB2   GLU- 100 - HB3   GLU- 100   1.75 +/- 0.00  99.998% * 96.9278% (1.00   2.00  72.68) = 100.000%  kept
          HB3   PHE   97 - HB3   GLU- 100  11.76 +/- 0.16   0.001% *  0.8693% (0.90   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU- 100  12.92 +/- 0.75   0.001% *  0.2695% (0.28   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU- 100  26.67 +/- 0.36   0.000% *  0.9501% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB3   GLU- 100  25.18 +/- 0.64   0.000% *  0.5488% (0.57   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU- 100  28.92 +/- 0.28   0.000% *  0.4346% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1204 (2.04, 2.04, 29.04 ppm):
    1 diagonal assignment:
    *     HB3   GLU- 100 - HB3   GLU- 100  (1.00)  kept
 
    Peak 1205 (2.23, 2.04, 29.04 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 72.7:
    * O T HG2   GLU- 100 - HB3   GLU- 100   2.46 +/- 0.11  99.993% * 97.4908% (1.00   3.25  72.68) = 100.000%  kept
          HB2   MET   96 - HB3   GLU- 100  15.05 +/- 0.33   0.002% *  0.4359% (0.73   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLU- 100  15.50 +/- 0.27   0.002% *  0.5207% (0.87   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB3   GLU- 100  14.38 +/- 0.42   0.003% *  0.1853% (0.31   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLU- 100  19.77 +/- 0.72   0.000% *  0.2253% (0.38   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB3   GLU- 100  21.07 +/- 0.98   0.000% *  0.1497% (0.25   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLU- 100  27.56 +/- 0.54   0.000% *  0.5950% (0.99   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU- 100  27.77 +/- 1.66   0.000% *  0.2922% (0.49   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLU- 100  24.67 +/- 0.77   0.000% *  0.1051% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1206 (3.81, 2.23, 38.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.73, residual support = 72.7:
    * O T HA    GLU- 100 - HG2   GLU- 100   2.83 +/- 0.20  91.968% * 98.9076% (1.00   4.73  72.68) =  99.992%  kept
        T HA    LYS+  38 - HG2   GLU- 100   4.93 +/- 1.25   8.032% *  0.0931% (0.22   0.02   0.02) =   0.008%
          HA    VAL   83 - HG2   GLU- 100  24.59 +/- 0.64   0.000% *  0.4173% (1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLU- 100  27.25 +/- 0.40   0.000% *  0.4100% (0.98   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLU- 100  29.28 +/- 0.76   0.000% *  0.1720% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1207 (2.37, 2.23, 38.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 72.7:
    * O T HB2   GLU- 100 - HG2   GLU- 100   3.03 +/- 0.03  99.934% * 98.0857% (1.00   3.25  72.68) = 100.000%  kept
          HB3   PHE   97 - HG2   GLU- 100  10.82 +/- 0.37   0.050% *  0.5416% (0.90   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLU- 100  13.19 +/- 0.67   0.016% *  0.1679% (0.28   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG2   GLU- 100  25.45 +/- 0.38   0.000% *  0.5920% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLU- 100  24.87 +/- 0.69   0.000% *  0.3419% (0.57   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU- 100  27.35 +/- 0.39   0.000% *  0.2708% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1208 (2.04, 2.23, 38.95 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.25, residual support = 72.7:
    * O T HB3   GLU- 100 - HG2   GLU- 100   2.46 +/- 0.11  99.994% * 96.2373% (1.00   3.25  72.68) = 100.000%  kept
          HB2   GLN   30 - HG2   GLU- 100  15.29 +/- 0.62   0.002% *  0.5873% (0.99   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   GLU- 100  17.44 +/- 0.69   0.001% *  0.5470% (0.92   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HG2   GLU- 100  17.83 +/- 1.46   0.001% *  0.3355% (0.57   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HG2   GLU- 100  16.94 +/- 1.59   0.001% *  0.1319% (0.22   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLU- 100  21.17 +/- 0.46   0.000% *  0.5873% (0.99   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLU- 100  23.62 +/- 0.54   0.000% *  0.5140% (0.87   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HG2   GLU- 100  22.14 +/- 0.72   0.000% *  0.1319% (0.22   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   GLU- 100  25.80 +/- 0.70   0.000% *  0.2884% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU- 100  25.67 +/- 0.64   0.000% *  0.1648% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLU- 100  31.66 +/- 0.62   0.000% *  0.4745% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1209 (2.23, 2.23, 38.95 ppm):
    1 diagonal assignment:
    *     HG2   GLU- 100 - HG2   GLU- 100  (1.00)  kept
 
    Peak 1210 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 1211 (3.52, 4.14, 45.70 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 15.4:
    * O T HA2   GLY  101 - HA1   GLY  101   1.75 +/- 0.00 100.000% * 99.6261% (1.00   2.00  15.44) = 100.000%  kept
          HA    LEU   63 - HA1   GLY  101  19.05 +/- 0.61   0.000% *  0.3739% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.60 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% * 95.5020% (1.00   2.00  15.44) = 100.000%  kept
          HA    ALA   34 - HA2   GLY  101   9.95 +/- 1.18   0.004% *  0.9034% (0.95   0.02   0.02) =   0.000%
          HA    ASN   28 - HA2   GLY  101  13.28 +/- 1.53   0.001% *  0.7647% (0.80   0.02   0.02) =   0.000%
          HA    THR   26 - HA2   GLY  101  18.99 +/- 1.45   0.000% *  0.6560% (0.69   0.02   0.02) =   0.000%
          HA    LEU  115 - HA2   GLY  101  21.44 +/- 0.37   0.000% *  0.7977% (0.84   0.02   0.02) =   0.000%
          HA    GLU- 114 - HA2   GLY  101  23.71 +/- 0.64   0.000% *  0.9217% (0.97   0.02   0.02) =   0.000%
          HA    ALA  124 - HA2   GLY  101  22.33 +/- 1.26   0.000% *  0.1890% (0.20   0.02   0.02) =   0.000%
          HA    ARG+  54 - HA2   GLY  101  28.81 +/- 0.65   0.000% *  0.2655% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1213 (3.52, 3.52, 45.70 ppm):
    1 diagonal assignment:
    *     HA2   GLY  101 - HA2   GLY  101  (1.00)  kept
 
    Peak 1214 (4.60, 4.60, 54.68 ppm):
    1 diagonal assignment:
    *     HA    LYS+ 102 - HA    LYS+ 102  (1.00)  kept
 
    Peak 1215 (1.81, 4.60, 54.68 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 159.2:
    * O T QB    LYS+ 102 - HA    LYS+ 102   2.37 +/- 0.07  98.297% * 98.3862% (1.00   6.31 159.17) =  99.998%  kept
          HG12  ILE  103 - HA    LYS+ 102   4.76 +/- 0.35   1.678% *  0.1063% (0.34   0.02  22.42) =   0.002%
        T HB    VAL   41 - HA    LYS+ 102   9.94 +/- 0.89   0.022% *  0.1517% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 102  14.12 +/- 0.42   0.002% *  0.3007% (0.97   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 102  18.21 +/- 0.46   0.000% *  0.2141% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LYS+ 102  21.53 +/- 0.31   0.000% *  0.3055% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 102  22.39 +/- 0.29   0.000% *  0.2877% (0.92   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 102  24.29 +/- 0.73   0.000% *  0.1517% (0.49   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+ 102  20.54 +/- 0.61   0.000% *  0.0481% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LYS+ 102  26.02 +/- 1.12   0.000% *  0.0481% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1216 (1.45, 4.60, 54.68 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 159.2:
    * O T HG2   LYS+ 102 - HA    LYS+ 102   3.17 +/- 0.38  99.875% * 97.7074% (1.00   5.75 159.17) = 100.000%  kept
          HG    LEU   40 - HA    LYS+ 102  10.76 +/- 0.26   0.080% *  0.2721% (0.80   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+ 102  14.35 +/- 0.75   0.014% *  0.3331% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 102  16.59 +/- 0.56   0.006% *  0.2334% (0.69   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+ 102  17.15 +/- 1.62   0.006% *  0.2334% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+ 102  19.59 +/- 0.71   0.002% *  0.2721% (0.80   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    LYS+ 102  20.05 +/- 0.51   0.002% *  0.2948% (0.87   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+ 102  17.07 +/- 0.34   0.005% *  0.0847% (0.25   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 102  20.35 +/- 0.29   0.002% *  0.1788% (0.53   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 102  19.63 +/- 1.38   0.002% *  0.1159% (0.34   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 102  19.34 +/- 0.32   0.002% *  0.1049% (0.31   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 102  20.40 +/- 0.72   0.002% *  0.0847% (0.25   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+ 102  21.56 +/- 0.78   0.001% *  0.0847% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (1.38, 4.60, 54.68 ppm):
    14 chemical-shift based assignments, quality = 0.983, support = 4.96, residual support = 155.2:
    * O T HG3   LYS+ 102 - HA    LYS+ 102   3.27 +/- 0.67  74.530% * 89.4092% (1.00   5.05 159.17) =  97.485%  kept
          QB    LEU   98 - HA    LYS+ 102   4.30 +/- 0.34  21.973% *  7.8064% (0.34   1.29   1.65) =   2.509%  kept
          HG    LEU   98 - HA    LYS+ 102   6.71 +/- 0.95   3.191% *  0.0984% (0.28   0.02   1.65) =   0.005%
        T HG3   LYS+ 106 - HA    LYS+ 102   8.98 +/- 0.48   0.257% *  0.3349% (0.95   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    LYS+ 102  13.30 +/- 0.64   0.024% *  0.3470% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 102  16.42 +/- 0.54   0.006% *  0.3533% (1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 102  16.36 +/- 1.08   0.007% *  0.3349% (0.95   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 102  16.63 +/- 1.13   0.006% *  0.0701% (0.20   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 102  19.35 +/- 0.50   0.002% *  0.1329% (0.38   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 102  24.33 +/- 0.55   0.001% *  0.3470% (0.98   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 102  21.03 +/- 0.43   0.001% *  0.1456% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 102  25.66 +/- 0.24   0.000% *  0.3509% (0.99   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 102  25.83 +/- 2.19   0.000% *  0.2147% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 102  20.83 +/- 0.48   0.002% *  0.0546% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (1.68, 4.60, 54.68 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.2:
    *   T QD    LYS+ 102 - HA    LYS+ 102   2.54 +/- 0.67  99.521% * 97.4737% (1.00   5.05 159.17) =  99.999%  kept
          QD    LYS+  38 - HA    LYS+ 102   9.98 +/- 1.30   0.082% *  0.3091% (0.80   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LYS+ 102   8.22 +/- 0.54   0.202% *  0.0962% (0.25   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    LYS+ 102   8.49 +/- 0.21   0.179% *  0.0859% (0.22   0.02   1.32) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 102  15.03 +/- 0.43   0.006% *  0.2031% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 102  15.21 +/- 0.69   0.005% *  0.1587% (0.41   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 102  18.84 +/- 0.99   0.001% *  0.2497% (0.65   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 102  20.11 +/- 0.59   0.001% *  0.3563% (0.92   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 102  20.02 +/- 1.09   0.001% *  0.2185% (0.57   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 102  23.33 +/- 0.34   0.000% *  0.3651% (0.95   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 102  22.87 +/- 0.81   0.000% *  0.2651% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 102  23.54 +/- 0.42   0.000% *  0.2185% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1219 (3.02, 4.60, 54.68 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.2:
    *   T QE    LYS+ 102 - HA    LYS+ 102   3.11 +/- 0.23  99.817% * 99.3665% (1.00   5.05 159.17) =  99.999%  kept
        T QE    LYS+  99 - HA    LYS+ 102   9.61 +/- 0.34   0.131% *  0.2703% (0.69   0.02   1.32) =   0.000%
        T QE    LYS+  38 - HA    LYS+ 102  11.51 +/- 1.40   0.052% *  0.3632% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1220 (4.60, 1.81, 34.65 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 159.2:
    * O T HA    LYS+ 102 - QB    LYS+ 102   2.37 +/- 0.07  99.966% * 98.6749% (1.00   6.31 159.17) = 100.000%  kept
        T HA    LYS+ 102 - HB    VAL   41   9.94 +/- 0.89   0.022% *  0.1404% (0.45   0.02   0.02) =   0.000%
          HA    CYS   21 - HB    VAL   41  12.40 +/- 0.56   0.005% *  0.1173% (0.38   0.02   0.02) =   0.000%
          HA    ALA   20 - HB    VAL   41  12.57 +/- 0.55   0.005% *  0.0278% (0.09   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    LYS+ 102  20.13 +/- 0.55   0.000% *  0.2611% (0.84   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    LYS+ 102  18.65 +/- 0.53   0.000% *  0.1521% (0.49   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB    VAL   41  18.22 +/- 1.08   0.001% *  0.0684% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - QB    LYS+ 102  20.34 +/- 0.48   0.000% *  0.0619% (0.20   0.02   0.02) =   0.000%
          HA    CYS   50 - QB    LYS+ 102  26.06 +/- 0.85   0.000% *  0.1401% (0.45   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL   41  22.93 +/- 1.18   0.000% *  0.0630% (0.20   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL   41  25.03 +/- 0.53   0.000% *  0.0908% (0.29   0.02   0.02) =   0.000%
          HA    TRP   49 - QB    LYS+ 102  28.83 +/- 0.40   0.000% *  0.2022% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1221 (1.81, 1.81, 34.65 ppm):
    2 diagonal assignments:
    *     QB    LYS+ 102 - QB    LYS+ 102  (1.00)  kept
          HB    VAL   41 - HB    VAL   41  (0.22)  kept
 
    Peak 1222 (1.45, 1.81, 34.65 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 159.2:
    * O T HG2   LYS+ 102 - QB    LYS+ 102   2.35 +/- 0.12  97.775% * 96.2932% (1.00   5.31 159.17) =  99.996%  kept
          HG    LEU   73 - HB    VAL   41   5.13 +/- 0.73   1.489% *  0.1596% (0.44   0.02   0.62) =   0.003%
          HG    LEU   40 - HB    VAL   41   5.78 +/- 0.92   0.641% *  0.1304% (0.36   0.02  21.09) =   0.001%
          HG    LEU   40 - QB    LYS+ 102   9.42 +/- 0.48   0.025% *  0.2902% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB    VAL   41  10.20 +/- 0.48   0.016% *  0.1119% (0.31   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HB    VAL   41  11.31 +/- 0.81   0.009% *  0.1628% (0.45   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB    VAL   41  11.46 +/- 0.77   0.008% *  0.1119% (0.31   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+ 102  13.89 +/- 0.64   0.003% *  0.3552% (0.98   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB    VAL   41  10.61 +/- 1.15   0.016% *  0.0406% (0.11   0.02   0.02) =   0.000%
        T HG    LEU   67 - QB    LYS+ 102  14.82 +/- 1.75   0.002% *  0.2490% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   67 - QB    LYS+ 102  14.40 +/- 0.75   0.002% *  0.2490% (0.69   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB    VAL   41  15.23 +/- 0.37   0.001% *  0.1413% (0.39   0.02   0.02) =   0.000%
        T QG    LYS+  66 - QB    LYS+ 102  17.44 +/- 0.59   0.001% *  0.3144% (0.87   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    VAL   41  14.30 +/- 0.27   0.002% *  0.0857% (0.24   0.02   0.02) =   0.000%
          QB    ALA  120 - QB    LYS+ 102  14.45 +/- 0.35   0.002% *  0.0904% (0.25   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+ 102  17.75 +/- 0.66   0.001% *  0.2902% (0.80   0.02   0.02) =   0.000%
          HG    LEU   80 - HB    VAL   41  14.34 +/- 1.02   0.002% *  0.0555% (0.15   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB    VAL   41  16.95 +/- 1.29   0.001% *  0.1304% (0.36   0.02   0.02) =   0.000%
          QB    ALA   61 - QB    LYS+ 102  18.46 +/- 0.30   0.000% *  0.1907% (0.53   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+ 102  17.98 +/- 0.28   0.001% *  0.1119% (0.31   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+ 102  19.50 +/- 1.19   0.000% *  0.1236% (0.34   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    VAL   41  16.79 +/- 0.70   0.001% *  0.0503% (0.14   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+ 102  19.03 +/- 0.63   0.000% *  0.0904% (0.25   0.02   0.02) =   0.000%
          QB    ALA  120 - HB    VAL   41  16.65 +/- 0.63   0.001% *  0.0406% (0.11   0.02   0.02) =   0.000%
          HG    LEU  115 - QB    LYS+ 102  19.37 +/- 0.64   0.000% *  0.0904% (0.25   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    VAL   41  18.77 +/- 1.20   0.000% *  0.0406% (0.11   0.02   0.02) =   0.000%
    Distance limit 2.66 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 = 1.0, support = 4.75, residual support = 159.2:
    * O T HG3   LYS+ 102 - QB    LYS+ 102   2.33 +/- 0.18  82.985% * 95.0580% (1.00   4.75 159.17) =  99.986%  kept
        T QB    LEU   98 - HB    VAL   41   4.46 +/- 1.20   7.596% *  0.0614% (0.15   0.02  17.95) =   0.006%
          HG    LEU   98 - HB    VAL   41   4.40 +/- 1.29   7.883% *  0.0500% (0.12   0.02  17.95) =   0.005%
          QB    LEU   98 - QB    LYS+ 102   5.07 +/- 0.34   0.880% *  0.1366% (0.34   0.02   1.65) =   0.002%
        T HB    VAL   42 - HB    VAL   41   6.32 +/- 0.22   0.216% *  0.1764% (0.44   0.02  23.13) =   0.000%
          HG    LEU   98 - QB    LYS+ 102   7.17 +/- 0.89   0.205% *  0.1113% (0.28   0.02   1.65) =   0.000%
        T HG3   LYS+  33 - HB    VAL   41   8.50 +/- 1.70   0.092% *  0.1702% (0.43   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB    VAL   41   7.64 +/- 0.46   0.076% *  0.1795% (0.45   0.02   0.62) =   0.000%
        T HG3   LYS+ 106 - QB    LYS+ 102   8.85 +/- 0.61   0.031% *  0.3788% (0.95   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB    VAL   41  10.55 +/- 1.28   0.013% *  0.1702% (0.43   0.02   0.02) =   0.000%
        T HB    VAL   42 - QB    LYS+ 102  12.28 +/- 0.66   0.004% *  0.3925% (0.98   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB    VAL   41  11.98 +/- 1.11   0.006% *  0.1799% (0.45   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 102  15.33 +/- 1.21   0.001% *  0.3788% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 102  15.93 +/- 0.43   0.001% *  0.3995% (1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QB    LYS+ 102  13.63 +/- 1.10   0.003% *  0.0792% (0.20   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB    VAL   41  16.35 +/- 0.84   0.001% *  0.1764% (0.44   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    VAL   41  12.41 +/- 0.44   0.004% *  0.0278% (0.07   0.02   0.02) =   0.000%
          QB    ALA   12 - HB    VAL   41  18.36 +/- 2.08   0.001% *  0.1091% (0.27   0.02   0.02) =   0.000%
          QB    ALA   84 - HB    VAL   41  16.02 +/- 0.58   0.001% *  0.0675% (0.17   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 102  21.73 +/- 0.59   0.000% *  0.3925% (0.98   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+ 102  18.93 +/- 0.40   0.000% *  0.1503% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB    VAL   41  17.41 +/- 1.11   0.001% *  0.0740% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 102  19.79 +/- 0.50   0.000% *  0.1646% (0.41   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    LYS+ 102  23.22 +/- 0.41   0.000% *  0.3969% (0.99   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 102  23.10 +/- 2.07   0.000% *  0.2429% (0.61   0.02   0.02) =   0.000%
          QB    ALA  124 - HB    VAL   41  17.15 +/- 1.14   0.001% *  0.0356% (0.09   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HB    VAL   41  23.29 +/- 0.94   0.000% *  0.1783% (0.45   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 102  19.79 +/- 0.41   0.000% *  0.0618% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1224 (1.68, 1.81, 34.65 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 159.2:
    * O T QD    LYS+ 102 - QB    LYS+ 102   2.40 +/- 0.33  98.997% * 95.9829% (1.00   4.75 159.17) =  99.999%  kept
        T QD    LYS+  38 - QB    LYS+ 102   8.29 +/- 1.37   0.116% *  0.3238% (0.80   0.02   0.02) =   0.000%
          QD    LYS+  99 - QB    LYS+ 102   6.42 +/- 0.41   0.345% *  0.0900% (0.22   0.02   1.32) =   0.000%
          HB2   LEU   73 - HB    VAL   41   6.85 +/- 0.56   0.276% *  0.0747% (0.18   0.02   0.62) =   0.000%
          QD    LYS+ 106 - QB    LYS+ 102   8.43 +/- 0.62   0.081% *  0.1008% (0.25   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB    VAL   41   7.90 +/- 0.59   0.097% *  0.0404% (0.10   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB    VAL   41  10.30 +/- 0.47   0.022% *  0.1455% (0.36   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB    VAL   41  11.18 +/- 0.86   0.015% *  0.1817% (0.45   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB    VAL   41  10.02 +/- 1.19   0.032% *  0.0453% (0.11   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+ 102  12.73 +/- 0.54   0.005% *  0.2127% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 102  14.87 +/- 0.58   0.002% *  0.1662% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+ 102  16.86 +/- 0.52   0.001% *  0.3732% (0.92   0.02   0.02) =   0.000%
          HB    VAL   83 - HB    VAL   41  15.00 +/- 0.72   0.002% *  0.1175% (0.29   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB    VAL   41  15.01 +/- 1.21   0.002% *  0.0956% (0.24   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+ 102  18.89 +/- 0.82   0.001% *  0.2616% (0.65   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB    VAL   41  16.52 +/- 0.75   0.001% *  0.1029% (0.25   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 102  19.28 +/- 0.76   0.000% *  0.2289% (0.57   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HB    VAL   41  18.74 +/- 0.79   0.001% *  0.1677% (0.41   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 102  20.77 +/- 0.92   0.000% *  0.2777% (0.69   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+ 102  21.96 +/- 0.41   0.000% *  0.3825% (0.95   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    VAL   41  18.00 +/- 1.26   0.001% *  0.1029% (0.25   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HB    VAL   41  19.69 +/- 0.97   0.000% *  0.1719% (0.43   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QB    LYS+ 102  20.94 +/- 0.46   0.000% *  0.2289% (0.57   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB    VAL   41  22.78 +/- 1.40   0.000% *  0.1248% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.67 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   2.49 +/- 0.41  99.479% * 98.8413% (1.00   4.75 159.17) =  99.999%  kept
        T QE    LYS+  99 - QB    LYS+ 102   7.65 +/- 0.35   0.182% *  0.2860% (0.69   0.02   1.32) =   0.001%
        T QE    LYS+  99 - HB    VAL   41   7.34 +/- 0.41   0.246% *  0.1285% (0.31   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QB    LYS+ 102   9.69 +/- 1.42   0.057% *  0.3844% (0.92   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HB    VAL   41  11.13 +/- 0.43   0.019% *  0.1727% (0.41   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HB    VAL   41  11.79 +/- 0.91   0.017% *  0.1871% (0.45   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1226 (4.60, 1.45, 25.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 159.2:
    * O T HA    LYS+ 102 - HG2   LYS+ 102   3.17 +/- 0.38  99.997% * 99.0987% (1.00   5.75 159.17) = 100.000%  kept
          HA    CYS   21 - HG2   LYS+ 102  22.78 +/- 0.84   0.001% *  0.2879% (0.84   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG2   LYS+ 102  22.21 +/- 1.29   0.001% *  0.1678% (0.49   0.02   0.02) =   0.000%
          HA    ALA   20 - HG2   LYS+ 102  23.31 +/- 0.85   0.001% *  0.0682% (0.20   0.02   0.02) =   0.000%
          HA    CYS   50 - HG2   LYS+ 102  30.28 +/- 1.51   0.000% *  0.1545% (0.45   0.02   0.02) =   0.000%
          HA    TRP   49 - HG2   LYS+ 102  33.25 +/- 0.99   0.000% *  0.2230% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1227 (1.81, 1.45, 25.01 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 159.2:
    * O T QB    LYS+ 102 - HG2   LYS+ 102   2.35 +/- 0.12  99.845% * 98.0882% (1.00   5.31 159.17) = 100.000%  kept
          HG12  ILE  103 - HG2   LYS+ 102   7.52 +/- 0.79   0.142% *  0.1259% (0.34   0.02  22.42) =   0.000%
        T HB    VAL   41 - HG2   LYS+ 102  11.31 +/- 0.81   0.009% *  0.1797% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG2   LYS+ 102  15.00 +/- 0.66   0.002% *  0.3563% (0.97   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HG2   LYS+ 102  18.83 +/- 1.02   0.000% *  0.2536% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG2   LYS+ 102  22.38 +/- 0.93   0.000% *  0.3619% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+ 102  24.86 +/- 1.10   0.000% *  0.3408% (0.92   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 102  21.02 +/- 1.59   0.000% *  0.0570% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 102  25.44 +/- 1.15   0.000% *  0.1797% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG2   LYS+ 102  28.40 +/- 1.14   0.000% *  0.0570% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1228 (1.45, 1.45, 25.01 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 102 - HG2   LYS+ 102  (1.00)  kept
 
    Peak 1229 (1.38, 1.45, 25.01 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.2:
    * O T HG3   LYS+ 102 - HG2   LYS+ 102   1.75 +/- 0.00  99.924% * 96.4205% (1.00   4.42 159.17) = 100.000%  kept
          QB    LEU   98 - HG2   LYS+ 102   6.23 +/- 0.61   0.059% *  0.1488% (0.34   0.02   1.65) =   0.000%
          HG    LEU   98 - HG2   LYS+ 102   8.75 +/- 1.21   0.014% *  0.1213% (0.28   0.02   1.65) =   0.000%
        T HG3   LYS+ 106 - HG2   LYS+ 102  11.32 +/- 1.20   0.002% *  0.4127% (0.95   0.02   0.02) =   0.000%
          HB    VAL   42 - HG2   LYS+ 102  14.77 +/- 0.82   0.000% *  0.4276% (0.98   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HG2   LYS+ 102  16.93 +/- 1.37   0.000% *  0.4127% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 102  18.26 +/- 0.77   0.000% *  0.4353% (1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 102  16.56 +/- 1.65   0.000% *  0.0863% (0.20   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 102  21.54 +/- 0.74   0.000% *  0.1637% (0.38   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HG2   LYS+ 102  25.38 +/- 1.06   0.000% *  0.4276% (0.98   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+ 102  23.44 +/- 1.08   0.000% *  0.1793% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG2   LYS+ 102  27.61 +/- 1.32   0.000% *  0.4324% (0.99   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 102  26.11 +/- 2.47   0.000% *  0.2646% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG2   LYS+ 102  22.83 +/- 0.92   0.000% *  0.0673% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1230 (1.68, 1.45, 25.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.2:
    * O T QD    LYS+ 102 - HG2   LYS+ 102   2.19 +/- 0.01  99.904% * 97.1240% (1.00   4.42 159.17) = 100.000%  kept
          QD    LYS+  38 - HG2   LYS+ 102   8.70 +/- 1.76   0.041% *  0.3519% (0.80   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   LYS+ 102   8.13 +/- 0.56   0.043% *  0.0978% (0.22   0.02   1.32) =   0.000%
          QD    LYS+ 106 - HG2   LYS+ 102  10.58 +/- 1.04   0.010% *  0.1096% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 102  15.93 +/- 1.54   0.001% *  0.2312% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 102  17.16 +/- 0.93   0.000% *  0.1806% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 102  20.43 +/- 1.66   0.000% *  0.4056% (0.92   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 102  21.35 +/- 1.13   0.000% *  0.2843% (0.65   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 102  22.72 +/- 1.55   0.000% *  0.2488% (0.57   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 102  25.82 +/- 1.06   0.000% *  0.4157% (0.95   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+ 102  24.89 +/- 1.41   0.000% *  0.3018% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 102  24.40 +/- 0.90   0.000% *  0.2488% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (3.02, 1.45, 25.01 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.2:
    * O T QE    LYS+ 102 - HG2   LYS+ 102   3.25 +/- 0.09  99.598% * 99.2769% (1.00   4.42 159.17) =  99.999%  kept
        T QE    LYS+  99 - HG2   LYS+ 102   9.25 +/- 0.77   0.258% *  0.3085% (0.69   0.02   1.32) =   0.001%
        T QE    LYS+  38 - HG2   LYS+ 102  10.26 +/- 1.82   0.145% *  0.4146% (0.92   0.02   0.02) =   0.001%
    Distance limit 4.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1232 (4.60, 1.38, 25.01 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.2:
    * O T HA    LYS+ 102 - HG3   LYS+ 102   3.27 +/- 0.67  99.286% * 96.9250% (1.00   5.05 159.17) =  99.999%  kept
        T HA    LYS+ 102 - HG3   LYS+ 106   8.98 +/- 0.48   0.405% *  0.0699% (0.18   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  33  11.71 +/- 1.14   0.079% *  0.1593% (0.41   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 106  11.09 +/- 0.67   0.115% *  0.0340% (0.09   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  65  13.28 +/- 0.54   0.036% *  0.0618% (0.16   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  65  17.05 +/- 0.59   0.008% *  0.2609% (0.68   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  33  16.36 +/- 1.08   0.011% *  0.1907% (0.50   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  33  13.47 +/- 0.77   0.032% *  0.0377% (0.10   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  65  20.98 +/- 1.34   0.003% *  0.1400% (0.36   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  65  20.90 +/- 0.67   0.002% *  0.1520% (0.40   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 102  23.40 +/- 1.02   0.001% *  0.3206% (0.84   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  65  22.32 +/- 0.90   0.002% *  0.2021% (0.53   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 102  22.31 +/- 0.70   0.002% *  0.1868% (0.49   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  65  24.33 +/- 0.55   0.001% *  0.3123% (0.81   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 106  18.54 +/- 1.09   0.005% *  0.0584% (0.15   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 106  19.94 +/- 1.23   0.003% *  0.0314% (0.08   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 106  17.61 +/- 1.06   0.007% *  0.0138% (0.04   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 102  23.91 +/- 0.83   0.001% *  0.0760% (0.20   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  33  25.28 +/- 0.71   0.001% *  0.0928% (0.24   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 106  23.47 +/- 0.85   0.001% *  0.0452% (0.12   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  33  28.45 +/- 0.99   0.000% *  0.1233% (0.32   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 102  30.55 +/- 1.15   0.000% *  0.1721% (0.45   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  33  27.53 +/- 1.51   0.000% *  0.0855% (0.22   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 102  33.59 +/- 0.69   0.000% *  0.2483% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1233 (1.81, 1.38, 25.01 ppm):
    40 chemical-shift based assignments, quality = 0.917, support = 5.18, residual support = 159.7:
    * O T QB    LYS+ 102 - HG3   LYS+ 102   2.33 +/- 0.18  57.220% * 49.1827% (1.00   4.75 159.17) =  58.823%  kept
      O   QB    LYS+  65 - HG3   LYS+  65   2.47 +/- 0.16  41.041% * 47.9989% (0.80   5.81 160.36) =  41.175%  kept
          HB2   LEU   71 - HG3   LYS+  33   6.39 +/- 1.19   0.250% *  0.0993% (0.48   0.02   0.02) =   0.001%
          HB3   GLN   17 - HG3   LYS+  65   6.63 +/- 1.13   0.237% *  0.0821% (0.40   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 106   4.94 +/- 0.72   0.985% *  0.0129% (0.06   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  65   6.63 +/- 0.10   0.108% *  0.1158% (0.56   0.02  27.52) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 102   7.72 +/- 0.71   0.056% *  0.0707% (0.34   0.02  22.42) =   0.000%
        T HB    VAL   41 - HG3   LYS+  33   8.50 +/- 1.70   0.056% *  0.0501% (0.24   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+ 106   8.85 +/- 0.61   0.020% *  0.0377% (0.18   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 102  11.98 +/- 1.11   0.004% *  0.1008% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  65  13.61 +/- 0.76   0.002% *  0.1627% (0.79   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 106  10.55 +/- 1.28   0.009% *  0.0184% (0.09   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 102  15.72 +/- 0.87   0.001% *  0.1999% (0.97   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  33  15.33 +/- 1.21   0.001% *  0.1029% (0.50   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  33  14.67 +/- 1.47   0.001% *  0.0501% (0.24   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 106  13.86 +/- 0.55   0.001% *  0.0348% (0.17   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+  65  16.35 +/- 0.84   0.001% *  0.0821% (0.40   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  13.47 +/- 0.65   0.002% *  0.0260% (0.13   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 106  14.44 +/- 0.80   0.001% *  0.0364% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+  33  17.83 +/- 1.20   0.000% *  0.1009% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  65  19.36 +/- 1.20   0.000% *  0.1556% (0.75   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 102  19.23 +/- 0.76   0.000% *  0.1423% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 106  14.62 +/- 0.64   0.001% *  0.0259% (0.13   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  33  17.48 +/- 1.28   0.000% *  0.0707% (0.34   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  33  15.98 +/- 0.95   0.001% *  0.0351% (0.17   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  65  21.73 +/- 0.59   0.000% *  0.1686% (0.81   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 102  22.84 +/- 0.61   0.000% *  0.2031% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 106  17.49 +/- 0.51   0.000% *  0.0370% (0.18   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 102  25.04 +/- 0.62   0.000% *  0.1913% (0.92   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  65  21.59 +/- 0.95   0.000% *  0.0575% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  19.66 +/- 0.87   0.000% *  0.0260% (0.13   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  21.26 +/- 1.22   0.000% *  0.0320% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  33  25.68 +/- 0.90   0.000% *  0.0950% (0.46   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 102  26.11 +/- 1.04   0.000% *  0.1008% (0.49   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  16.27 +/- 0.47   0.001% *  0.0058% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  17.40 +/- 1.33   0.000% *  0.0058% (0.03   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 106  21.16 +/- 1.09   0.000% *  0.0184% (0.09   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  24.02 +/- 1.63   0.000% *  0.0159% (0.08   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.60 +/- 1.14   0.000% *  0.0320% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  28.31 +/- 1.18   0.000% *  0.0159% (0.08   0.02   0.02) =   0.000%
    Distance limit 2.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1234 (1.45, 1.38, 25.01 ppm):
    52 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.2:
    * O T HG2   LYS+ 102 - HG3   LYS+ 102   1.75 +/- 0.00  99.395% * 92.3495% (1.00   4.42 159.17) =  99.999%  kept
          QB    ALA   61 - HG3   LYS+  65   4.67 +/- 0.71   0.499% *  0.1789% (0.43   0.02   0.02) =   0.001%
          QG    LYS+  66 - HG3   LYS+  65   6.27 +/- 0.58   0.055% *  0.2949% (0.71   0.02  27.52) =   0.000%
          HG    LEU   67 - HG3   LYS+  65   9.12 +/- 1.48   0.010% *  0.2336% (0.56   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  33   8.44 +/- 0.60   0.009% *  0.2034% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  65   9.09 +/- 0.63   0.006% *  0.2336% (0.56   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  33   8.78 +/- 1.12   0.009% *  0.0518% (0.12   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 102  12.14 +/- 0.67   0.001% *  0.3346% (0.80   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  33  12.41 +/- 1.88   0.001% *  0.1662% (0.40   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 106  10.04 +/- 0.58   0.003% *  0.0610% (0.15   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+ 106  11.32 +/- 1.20   0.002% *  0.0761% (0.18   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  65  13.96 +/- 0.59   0.000% *  0.3333% (0.80   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  65  14.05 +/- 0.73   0.000% *  0.2723% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  65  12.06 +/- 1.20   0.001% *  0.0848% (0.20   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 106  11.35 +/- 0.89   0.001% *  0.0610% (0.15   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  65  14.95 +/- 0.98   0.000% *  0.2723% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  33  14.19 +/- 1.60   0.000% *  0.1426% (0.34   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 102  16.64 +/- 0.80   0.000% *  0.4095% (0.98   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 106  12.68 +/- 0.96   0.001% *  0.0746% (0.18   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  33  15.78 +/- 1.73   0.000% *  0.1426% (0.34   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  33  16.93 +/- 1.37   0.000% *  0.2075% (0.50   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  65  14.39 +/- 0.57   0.000% *  0.0848% (0.20   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 102  18.27 +/- 2.09   0.000% *  0.2870% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 102  17.74 +/- 0.92   0.000% *  0.2870% (0.69   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  65  14.86 +/- 1.01   0.000% *  0.0848% (0.20   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  65  15.49 +/- 0.75   0.000% *  0.1049% (0.25   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 106  12.06 +/- 0.52   0.001% *  0.0235% (0.06   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 106  14.68 +/- 1.68   0.000% *  0.0523% (0.13   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 106  14.57 +/- 0.74   0.000% *  0.0523% (0.13   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  33  15.99 +/- 1.35   0.000% *  0.0708% (0.17   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 106  12.81 +/- 0.26   0.001% *  0.0190% (0.05   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 102  21.09 +/- 0.80   0.000% *  0.3624% (0.87   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+  33  17.37 +/- 0.76   0.000% *  0.1092% (0.26   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  33  19.11 +/- 1.27   0.000% *  0.1800% (0.43   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 106  16.04 +/- 0.72   0.000% *  0.0660% (0.16   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 102  17.64 +/- 1.10   0.000% *  0.1042% (0.25   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 102  21.63 +/- 1.20   0.000% *  0.3346% (0.80   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 106  13.50 +/- 0.71   0.001% *  0.0190% (0.05   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 106  15.22 +/- 0.58   0.000% *  0.0401% (0.10   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 102  22.05 +/- 0.51   0.000% *  0.2198% (0.53   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 102  21.44 +/- 0.56   0.000% *  0.1290% (0.31   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  65  25.38 +/- 1.06   0.000% *  0.3400% (0.81   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 106  17.05 +/- 1.81   0.000% *  0.0260% (0.06   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 102  22.45 +/- 1.70   0.000% *  0.1425% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  33  24.09 +/- 1.30   0.000% *  0.1662% (0.40   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  65  22.79 +/- 1.24   0.000% *  0.1160% (0.28   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 102  22.35 +/- 0.93   0.000% *  0.1042% (0.25   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 102  23.46 +/- 1.25   0.000% *  0.1042% (0.25   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  33  22.21 +/- 0.58   0.000% *  0.0641% (0.15   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 106  18.88 +/- 0.96   0.000% *  0.0190% (0.05   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  33  22.39 +/- 1.14   0.000% *  0.0518% (0.12   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  33  25.68 +/- 1.30   0.000% *  0.0518% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1235 (1.38, 1.38, 25.01 ppm):
    4 diagonal assignments:
    *     HG3   LYS+ 102 - HG3   LYS+ 102  (1.00)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.80)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.47)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.17)  kept
 
    Peak 1236 (1.68, 1.38, 25.01 ppm):
    48 chemical-shift based assignments, quality = 0.736, support = 4.15, residual support = 158.3:
    * O T QD    LYS+ 102 - HG3   LYS+ 102   2.48 +/- 0.06  23.808% * 61.2276% (1.00   4.00 159.17) =  54.807%  kept
      O T QD    LYS+  65 - HG3   LYS+  65   2.34 +/- 0.17  35.394% * 30.2570% (0.46   4.29 160.36) =  40.264%  kept
      O   QD    LYS+ 106 - HG3   LYS+ 106   2.28 +/- 0.14  40.726% *  3.2187% (0.05   4.63 131.09) =   4.929%  kept
          QD    LYS+  38 - HG3   LYS+ 102   9.26 +/- 1.80   0.013% *  0.2451% (0.80   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 102   8.57 +/- 0.48   0.015% *  0.0682% (0.22   0.02   1.32) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+ 106   9.60 +/- 1.09   0.010% *  0.0558% (0.18   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  33  10.97 +/- 1.03   0.004% *  0.1218% (0.40   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 102  10.64 +/- 0.78   0.004% *  0.0763% (0.25   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  33  10.45 +/- 0.56   0.005% *  0.0625% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 106   9.92 +/- 0.33   0.006% *  0.0293% (0.10   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  65  15.53 +/- 0.60   0.000% *  0.2300% (0.75   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  65  14.40 +/- 0.45   0.001% *  0.1024% (0.33   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 102  16.05 +/- 1.07   0.000% *  0.1611% (0.53   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 106  12.30 +/- 0.97   0.002% *  0.0316% (0.10   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  33  12.80 +/- 1.53   0.002% *  0.0339% (0.11   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 106  10.68 +/- 0.27   0.004% *  0.0124% (0.04   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  33  16.55 +/- 1.11   0.000% *  0.1521% (0.50   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 106  12.34 +/- 0.98   0.002% *  0.0229% (0.07   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  65  16.67 +/- 0.55   0.000% *  0.1311% (0.43   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 106  14.24 +/- 0.83   0.001% *  0.0383% (0.13   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  65  19.20 +/- 1.01   0.000% *  0.2357% (0.77   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  65  21.45 +/- 2.32   0.000% *  0.1995% (0.65   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 106  15.00 +/- 0.60   0.000% *  0.0528% (0.17   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 102  17.74 +/- 0.81   0.000% *  0.1259% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 102  20.61 +/- 1.32   0.000% *  0.2826% (0.92   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  33  17.75 +/- 1.14   0.000% *  0.0984% (0.32   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  65  16.04 +/- 0.70   0.000% *  0.0555% (0.18   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 106  16.18 +/- 0.51   0.000% *  0.0515% (0.17   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 106  16.04 +/- 0.55   0.000% *  0.0447% (0.15   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  33  18.26 +/- 1.33   0.000% *  0.0861% (0.28   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 106  15.96 +/- 1.33   0.000% *  0.0361% (0.12   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 102  21.71 +/- 1.31   0.000% *  0.1980% (0.65   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  33  17.18 +/- 1.12   0.000% *  0.0379% (0.12   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  65  23.72 +/- 0.81   0.000% *  0.2491% (0.81   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  65  22.57 +/- 0.98   0.000% *  0.1711% (0.56   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  65  22.02 +/- 0.70   0.000% *  0.1410% (0.46   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 102  22.86 +/- 1.22   0.000% *  0.1733% (0.57   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  65  19.14 +/- 0.74   0.000% *  0.0621% (0.20   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 102  24.85 +/- 1.09   0.000% *  0.2103% (0.69   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 102  26.04 +/- 0.61   0.000% *  0.2896% (0.95   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  65  24.26 +/- 0.63   0.000% *  0.1612% (0.53   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 102  24.90 +/- 0.65   0.000% *  0.1733% (0.57   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  33  22.52 +/- 1.41   0.000% *  0.0800% (0.26   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  33  24.93 +/- 1.46   0.000% *  0.1404% (0.46   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 106  19.68 +/- 0.61   0.000% *  0.0316% (0.10   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  33  25.60 +/- 0.93   0.000% *  0.1439% (0.47   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  33  24.32 +/- 1.27   0.000% *  0.0861% (0.28   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  33  30.44 +/- 1.04   0.000% *  0.1045% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1237 (3.02, 1.38, 25.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 159.2:
    * O T QE    LYS+ 102 - HG3   LYS+ 102   2.19 +/- 0.07  99.932% * 97.3207% (1.00   4.00 159.17) = 100.000%  kept
        T QE    LYS+  99 - HG3   LYS+ 102   9.78 +/- 0.67   0.015% *  0.3343% (0.69   0.02   1.32) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 102  10.82 +/- 1.85   0.011% *  0.4492% (0.92   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  33  10.74 +/- 0.98   0.009% *  0.2231% (0.46   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+ 106   9.61 +/- 0.69   0.017% *  0.0887% (0.18   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  33  11.40 +/- 1.84   0.009% *  0.1660% (0.34   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  65  15.00 +/- 0.74   0.001% *  0.2720% (0.56   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+ 106  11.74 +/- 0.54   0.005% *  0.0609% (0.13   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  65  21.79 +/- 2.43   0.000% *  0.3655% (0.75   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  33  17.20 +/- 1.04   0.000% *  0.2417% (0.50   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 106  17.42 +/- 0.54   0.000% *  0.0818% (0.17   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  65  24.16 +/- 0.57   0.000% *  0.3960% (0.81   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (4.60, 1.68, 29.29 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.2:
    *   T HA    LYS+ 102 - QD    LYS+ 102   2.54 +/- 0.67  99.034% * 98.2592% (1.00   5.05 159.17) = 100.000%  kept
          HA1   GLY  109 - HD2   LYS+ 111   8.08 +/- 0.90   0.940% *  0.0495% (0.13   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+  65  16.86 +/- 0.74   0.003% *  0.0821% (0.21   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+  65  13.46 +/- 0.68   0.011% *  0.0195% (0.05   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   LYS+ 111  16.01 +/- 1.00   0.004% *  0.0456% (0.12   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+ 102  21.01 +/- 0.90   0.001% *  0.3250% (0.84   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+ 102  19.20 +/- 1.20   0.001% *  0.1894% (0.49   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   LYS+ 111  20.33 +/- 1.02   0.001% *  0.0658% (0.17   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+  65  20.89 +/- 0.71   0.001% *  0.0636% (0.16   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HD2   LYS+ 111  22.87 +/- 0.81   0.000% *  0.1017% (0.26   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+  65  19.86 +/- 1.20   0.001% *  0.0441% (0.11   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+  65  20.20 +/- 0.33   0.001% *  0.0479% (0.12   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+ 102  21.49 +/- 0.88   0.001% *  0.0770% (0.20   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - QD    LYS+  65  23.54 +/- 0.42   0.000% *  0.0983% (0.25   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+ 102  26.78 +/- 1.39   0.000% *  0.1744% (0.45   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+ 102  29.54 +/- 1.07   0.000% *  0.2517% (0.65   0.02   0.02) =   0.000%
          HA    CYS   21 - HD2   LYS+ 111  26.15 +/- 0.83   0.000% *  0.0850% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   LYS+ 111  23.43 +/- 0.80   0.000% *  0.0201% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 0.773, support = 4.91, residual support = 159.5:
    * O T QB    LYS+ 102 - QD    LYS+ 102   2.40 +/- 0.33  38.733% * 76.3260% (1.00   4.75 159.17) =  69.766%  kept
      O T QB    LYS+  65 - QD    LYS+  65   2.19 +/- 0.19  60.811% * 21.0672% (0.25   5.29 160.36) =  30.233%  kept
          HG12  ILE  103 - QD    LYS+ 102   6.31 +/- 0.93   0.228% *  0.1097% (0.34   0.02  22.42) =   0.001%
          HB3   GLN   17 - QD    LYS+  65   6.87 +/- 1.12   0.120% *  0.0396% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  65   6.65 +/- 0.21   0.080% *  0.0558% (0.17   0.02  27.52) =   0.000%
        T HG2   PRO   93 - HD2   LYS+ 111   9.37 +/- 0.56   0.011% *  0.0776% (0.24   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102  11.18 +/- 0.86   0.004% *  0.1565% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  14.77 +/- 0.51   0.001% *  0.3103% (0.97   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.93 +/- 0.68   0.001% *  0.0784% (0.24   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 111  10.30 +/- 0.87   0.006% *  0.0130% (0.04   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  17.70 +/- 0.74   0.000% *  0.2209% (0.69   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  20.90 +/- 0.71   0.000% *  0.3152% (0.98   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  65  12.58 +/- 0.70   0.002% *  0.0125% (0.04   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  21.78 +/- 1.07   0.000% *  0.2968% (0.92   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  16.52 +/- 0.75   0.000% *  0.0396% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  17.45 +/- 0.69   0.000% *  0.0577% (0.18   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  18.67 +/- 0.93   0.000% *  0.0750% (0.23   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.21 +/- 0.60   0.000% *  0.0824% (0.26   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  20.77 +/- 0.92   0.000% *  0.0841% (0.26   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+ 102  19.45 +/- 1.27   0.000% *  0.0496% (0.15   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  20.94 +/- 0.46   0.000% *  0.0813% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  23.88 +/- 0.95   0.000% *  0.1565% (0.49   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  19.01 +/- 0.92   0.000% *  0.0287% (0.09   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   LYS+ 111  17.58 +/- 1.35   0.000% *  0.0130% (0.04   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  21.18 +/- 0.85   0.000% *  0.0277% (0.09   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  25.13 +/- 0.77   0.000% *  0.0811% (0.25   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  22.78 +/- 1.40   0.000% *  0.0409% (0.13   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  65  18.62 +/- 0.52   0.000% *  0.0125% (0.04   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+ 102  25.03 +/- 0.97   0.000% *  0.0496% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  26.09 +/- 1.02   0.000% *  0.0409% (0.13   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1240 (1.45, 1.68, 29.29 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 159.2:
    * O T HG2   LYS+ 102 - QD    LYS+ 102   2.19 +/- 0.01  98.458% * 95.3702% (1.00   4.42 159.17) =  99.999%  kept
          QB    ALA   61 - QD    LYS+  65   4.88 +/- 0.29   0.874% *  0.0574% (0.13   0.02   0.02) =   0.001%
          QG    LYS+  66 - QD    LYS+  65   5.83 +/- 0.59   0.342% *  0.0946% (0.22   0.02  27.52) =   0.000%
          QB    ALA  110 - HD2   LYS+ 111   6.54 +/- 0.41   0.161% *  0.0348% (0.08   0.02   9.11) =   0.000%
          HB3   LEU  115 - HD2   LYS+ 111   7.96 +/- 0.76   0.055% *  0.0903% (0.21   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+ 102  11.49 +/- 0.63   0.005% *  0.3455% (0.80   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  65   9.48 +/- 1.21   0.022% *  0.0749% (0.17   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+ 111   8.19 +/- 0.91   0.046% *  0.0281% (0.07   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+  65   9.56 +/- 0.46   0.015% *  0.0749% (0.17   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+ 102  15.18 +/- 1.02   0.001% *  0.4229% (0.98   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+ 102  17.03 +/- 1.71   0.001% *  0.2964% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+ 102  16.60 +/- 0.77   0.001% *  0.2964% (0.69   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  65  14.41 +/- 0.66   0.001% *  0.1069% (0.25   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  65  14.29 +/- 0.53   0.001% *  0.0873% (0.20   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+ 111  12.13 +/- 0.72   0.004% *  0.0281% (0.07   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  65  14.61 +/- 0.62   0.001% *  0.0873% (0.20   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  65  12.30 +/- 1.10   0.004% *  0.0272% (0.06   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+ 102  19.08 +/- 1.40   0.000% *  0.3455% (0.80   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+ 102  15.91 +/- 1.13   0.001% *  0.1076% (0.25   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    LYS+ 102  19.33 +/- 0.79   0.000% *  0.3743% (0.87   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 111  15.15 +/- 0.36   0.001% *  0.0593% (0.14   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  65  13.39 +/- 0.56   0.002% *  0.0272% (0.06   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+ 102  19.89 +/- 0.72   0.000% *  0.2270% (0.53   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   LYS+ 111  17.52 +/- 0.79   0.000% *  0.0978% (0.23   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  65  14.29 +/- 0.73   0.001% *  0.0272% (0.06   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+ 102  18.71 +/- 0.95   0.000% *  0.1332% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  65  14.86 +/- 0.33   0.001% *  0.0337% (0.08   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+ 102  19.69 +/- 1.38   0.000% *  0.1472% (0.34   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+ 102  20.77 +/- 1.42   0.000% *  0.1076% (0.25   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+ 102  20.50 +/- 0.84   0.000% *  0.1076% (0.25   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+ 111  20.72 +/- 0.79   0.000% *  0.0903% (0.21   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+ 111  21.09 +/- 1.59   0.000% *  0.0775% (0.18   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 111  22.64 +/- 0.79   0.000% *  0.1106% (0.26   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 111  21.84 +/- 0.85   0.000% *  0.0775% (0.18   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QD    LYS+  65  24.40 +/- 0.90   0.000% *  0.1091% (0.25   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HD2   LYS+ 111  24.89 +/- 1.41   0.000% *  0.1128% (0.26   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  65  22.15 +/- 1.24   0.000% *  0.0372% (0.09   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 111  24.77 +/- 1.37   0.000% *  0.0385% (0.09   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 111  26.93 +/- 0.81   0.000% *  0.0281% (0.07   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 = 0.791, support = 4.08, residual support = 159.5:
    * O T HG3   LYS+ 102 - QD    LYS+ 102   2.48 +/- 0.06  40.610% * 75.2340% (1.00   4.00 159.17) =  72.197%  kept
      O T HG3   LYS+  65 - QD    LYS+  65   2.34 +/- 0.17  58.848% * 19.9920% (0.25   4.29 160.36) =  27.801%  kept
          QB    LEU   98 - QD    LYS+ 102   6.02 +/- 0.72   0.249% *  0.1283% (0.34   0.02   1.65) =   0.001%
          HB2   LYS+ 112 - HD2   LYS+ 111   6.14 +/- 0.45   0.191% *  0.0975% (0.26   0.02  26.37) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+ 102   9.60 +/- 1.09   0.017% *  0.3558% (0.95   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   8.39 +/- 1.05   0.043% *  0.1046% (0.28   0.02   1.65) =   0.000%
          QB    ALA   12 - QD    LYS+  65  12.07 +/- 1.80   0.015% *  0.0577% (0.15   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+ 102  14.06 +/- 0.75   0.001% *  0.3687% (0.98   0.02   0.02) =   0.000%
        T HB3   PRO   93 - HD2   LYS+ 111   9.96 +/- 0.74   0.011% *  0.0404% (0.11   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  65  12.02 +/- 0.57   0.003% *  0.0932% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+ 102  16.55 +/- 1.11   0.000% *  0.3558% (0.95   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD    LYS+ 102  17.04 +/- 0.90   0.000% *  0.3753% (1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HD2   LYS+ 111  14.24 +/- 0.83   0.001% *  0.0930% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  65  14.73 +/- 0.74   0.001% *  0.0949% (0.25   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  15.17 +/- 1.53   0.001% *  0.0744% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  65  12.85 +/- 0.69   0.002% *  0.0147% (0.04   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  65  17.69 +/- 0.70   0.000% *  0.0942% (0.25   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  18.93 +/- 0.95   0.000% *  0.1412% (0.38   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+  65  18.26 +/- 1.33   0.000% *  0.0899% (0.24   0.02   0.02) =   0.000%
          HB    VAL   42 - HD2   LYS+ 111  18.68 +/- 0.70   0.000% *  0.0964% (0.26   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+ 102  23.72 +/- 0.81   0.000% *  0.3687% (0.98   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.65 +/- 1.03   0.000% *  0.1546% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+ 102  24.37 +/- 1.09   0.000% *  0.3728% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  16.98 +/- 0.58   0.000% *  0.0391% (0.10   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.20 +/- 0.62   0.001% *  0.0188% (0.05   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  65  19.68 +/- 0.61   0.000% *  0.0899% (0.24   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  16.11 +/- 0.95   0.001% *  0.0195% (0.05   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+ 102  24.64 +/- 2.02   0.000% *  0.2282% (0.61   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  65  17.55 +/- 0.39   0.000% *  0.0324% (0.09   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 111  18.80 +/- 0.69   0.000% *  0.0335% (0.09   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  19.23 +/- 0.81   0.000% *  0.0369% (0.10   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD2   LYS+ 111  22.57 +/- 0.98   0.000% *  0.0964% (0.26   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HD2   LYS+ 111  22.80 +/- 0.67   0.000% *  0.0981% (0.26   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+ 102  20.97 +/- 0.92   0.000% *  0.0580% (0.15   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.44 +/- 0.96   0.000% *  0.0264% (0.07   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  20.52 +/- 0.40   0.000% *  0.0357% (0.09   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.30 +/- 1.50   0.000% *  0.0273% (0.07   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD2   LYS+ 111  24.85 +/- 1.09   0.000% *  0.0983% (0.26   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  65  24.90 +/- 0.65   0.000% *  0.0951% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   LYS+ 111  21.36 +/- 0.80   0.000% *  0.0152% (0.04   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD2   LYS+ 111  30.44 +/- 1.04   0.000% *  0.0930% (0.25   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 111  31.08 +/- 1.91   0.000% *  0.0596% (0.16   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1242 (1.68, 1.68, 29.29 ppm):
    3 diagonal assignments:
    *     QD    LYS+ 102 - QD    LYS+ 102  (1.00)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.18)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.14)  kept
 
    Peak 1243 (3.02, 1.68, 29.29 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 159.2:
    * O T QE    LYS+ 102 - QD    LYS+ 102   2.12 +/- 0.01  99.979% * 98.5454% (1.00   4.00 159.17) = 100.000%  kept
        T QE    LYS+  99 - QD    LYS+ 102   9.77 +/- 0.61   0.012% *  0.3385% (0.69   0.02   1.32) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 102  10.73 +/- 1.54   0.008% *  0.4548% (0.92   0.02   0.02) =   0.000%
        T QE    LYS+  99 - QD    LYS+  65  14.71 +/- 0.52   0.001% *  0.0855% (0.17   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+  65  20.73 +/- 2.31   0.000% *  0.1150% (0.23   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HD2   LYS+ 111  21.36 +/- 0.91   0.000% *  0.1288% (0.26   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HD2   LYS+ 111  21.74 +/- 0.92   0.000% *  0.0885% (0.18   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  65  23.15 +/- 0.47   0.000% *  0.1245% (0.25   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HD2   LYS+ 111  29.18 +/- 1.10   0.000% *  0.1189% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (4.60, 3.02, 42.50 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 159.2:
    *   T HA    LYS+ 102 - QE    LYS+ 102   3.11 +/- 0.23  99.798% * 97.7139% (1.00   5.05 159.17) = 100.000%  kept
        T HA    LYS+ 102 - QE    LYS+  99   9.61 +/- 0.34   0.131% *  0.2639% (0.68   0.02   1.32) =   0.000%
        T HA    LYS+ 102 - QE    LYS+  38  11.51 +/- 1.40   0.052% *  0.0886% (0.23   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  99  17.56 +/- 0.57   0.003% *  0.2204% (0.57   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+ 102  19.13 +/- 0.59   0.002% *  0.1883% (0.49   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+ 102  21.51 +/- 0.65   0.001% *  0.3232% (0.84   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  99  16.90 +/- 0.63   0.004% *  0.0522% (0.13   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  99  19.96 +/- 0.63   0.002% *  0.1284% (0.33   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  38  19.86 +/- 1.28   0.002% *  0.0740% (0.19   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+ 102  21.97 +/- 0.43   0.001% *  0.0766% (0.20   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  99  25.38 +/- 1.24   0.000% *  0.1183% (0.31   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+ 102  26.88 +/- 0.84   0.000% *  0.1735% (0.45   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  99  27.68 +/- 0.45   0.000% *  0.1707% (0.44   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+ 102  29.71 +/- 0.56   0.000% *  0.2503% (0.65   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  38  20.78 +/- 1.55   0.002% *  0.0175% (0.05   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  38  26.22 +/- 0.82   0.000% *  0.0431% (0.11   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  38  32.97 +/- 1.49   0.000% *  0.0573% (0.15   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  38  31.17 +/- 1.33   0.000% *  0.0397% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1245 (1.81, 3.02, 42.50 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 159.2:
    *   T QB    LYS+ 102 - QE    LYS+ 102   2.49 +/- 0.41  98.613% * 95.6460% (1.00   4.75 159.17) =  99.997%  kept
          HG12  ILE  103 - QE    LYS+ 102   6.52 +/- 0.53   0.548% *  0.1374% (0.34   0.02  22.42) =   0.001%
          HB2   LEU   71 - QE    LYS+  99   7.74 +/- 0.79   0.205% *  0.2652% (0.66   0.02   0.02) =   0.001%
        T QB    LYS+ 102 - QE    LYS+  99   7.65 +/- 0.35   0.179% *  0.2748% (0.68   0.02   1.32) =   0.001%
        T HB    VAL   41 - QE    LYS+  99   7.34 +/- 0.41   0.241% *  0.1337% (0.33   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  99  10.00 +/- 0.55   0.033% *  0.1887% (0.47   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QE    LYS+  38   9.69 +/- 1.42   0.056% *  0.0922% (0.23   0.02   0.02) =   0.000%
        T HB    VAL   41 - QE    LYS+ 102  11.79 +/- 0.91   0.017% *  0.1961% (0.49   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  99  10.20 +/- 0.51   0.028% *  0.0937% (0.23   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  38  11.32 +/- 1.34   0.029% *  0.0890% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  99  13.07 +/- 0.51   0.007% *  0.2693% (0.67   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+ 102  15.40 +/- 0.47   0.003% *  0.3888% (0.97   0.02   0.02) =   0.000%
        T HB    VAL   41 - QE    LYS+  38  11.13 +/- 0.43   0.018% *  0.0449% (0.11   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  99  12.60 +/- 1.06   0.010% *  0.0424% (0.11   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  99  15.64 +/- 0.77   0.002% *  0.1337% (0.33   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+ 102  18.01 +/- 0.66   0.001% *  0.2768% (0.69   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  38  14.06 +/- 0.88   0.005% *  0.0315% (0.08   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+ 102  21.26 +/- 0.40   0.000% *  0.3949% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+ 102  21.79 +/- 0.50   0.000% *  0.3719% (0.92   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  38  17.37 +/- 1.65   0.001% *  0.0634% (0.16   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  99  21.15 +/- 0.66   0.000% *  0.2536% (0.63   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  38  19.61 +/- 1.94   0.001% *  0.0904% (0.22   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+ 102  19.61 +/- 0.80   0.001% *  0.0622% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+ 102  24.43 +/- 0.62   0.000% *  0.1961% (0.49   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  38  20.46 +/- 2.39   0.001% *  0.0449% (0.11   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  99  23.58 +/- 0.90   0.000% *  0.0424% (0.11   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+ 102  25.05 +/- 0.90   0.000% *  0.0622% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  38  27.63 +/- 1.00   0.000% *  0.0851% (0.21   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  38  21.30 +/- 1.78   0.000% *  0.0142% (0.04   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  38  30.39 +/- 1.20   0.000% *  0.0142% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1246 (1.45, 3.02, 42.50 ppm):
    39 chemical-shift based assignments, quality = 0.981, support = 4.3, residual support = 153.0:
    * O T HG2   LYS+ 102 - QE    LYS+ 102   3.25 +/- 0.09  78.758% * 80.2532% (1.00   4.42 159.17) =  95.791%  kept
          HG    LEU   40 - QE    LYS+  99   4.24 +/- 0.40  18.567% * 14.9333% (0.55   1.51  12.46) =   4.202%  kept
          HB3   LEU   67 - QE    LYS+  99   7.07 +/- 0.91   1.020% *  0.1701% (0.47   0.02   0.02) =   0.003%
          HG    LEU   67 - QE    LYS+  99   7.81 +/- 1.68   0.979% *  0.1701% (0.47   0.02   0.02) =   0.003%
        T HG2   LYS+ 102 - QE    LYS+  99   9.25 +/- 0.77   0.208% *  0.2476% (0.68   0.02   1.32) =   0.001%
          HG    LEU   73 - QE    LYS+  99  10.68 +/- 0.61   0.066% *  0.2427% (0.67   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QE    LYS+  38  10.26 +/- 1.82   0.113% *  0.0831% (0.23   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+ 102  12.02 +/- 0.42   0.031% *  0.2907% (0.80   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  99  11.77 +/- 0.61   0.037% *  0.2148% (0.59   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  38  11.96 +/- 0.82   0.035% *  0.0666% (0.18   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+ 102  15.73 +/- 0.58   0.006% *  0.3559% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  38  14.76 +/- 1.89   0.033% *  0.0571% (0.16   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  99  12.22 +/- 0.67   0.030% *  0.0617% (0.17   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  99  14.25 +/- 0.42   0.011% *  0.1303% (0.36   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  38  14.40 +/- 1.16   0.014% *  0.0815% (0.22   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  99  16.29 +/- 0.80   0.005% *  0.1983% (0.55   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+ 102  17.45 +/- 1.73   0.004% *  0.2494% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+ 102  17.07 +/- 0.70   0.004% *  0.2494% (0.69   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  38  15.88 +/- 2.19   0.015% *  0.0571% (0.16   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  99  13.85 +/- 0.62   0.014% *  0.0617% (0.17   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+ 102  19.12 +/- 0.86   0.002% *  0.2907% (0.80   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+ 102  15.91 +/- 0.82   0.006% *  0.0905% (0.25   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+ 102  19.62 +/- 0.72   0.002% *  0.3149% (0.87   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  38  16.80 +/- 2.03   0.013% *  0.0207% (0.06   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+ 102  20.18 +/- 0.28   0.001% *  0.1910% (0.53   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+ 102  18.72 +/- 0.40   0.002% *  0.1121% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  99  17.69 +/- 0.39   0.003% *  0.0764% (0.21   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  99  17.43 +/- 1.06   0.004% *  0.0617% (0.17   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  38  19.07 +/- 1.72   0.003% *  0.0721% (0.20   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+ 102  20.01 +/- 1.31   0.002% *  0.1239% (0.34   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  99  19.96 +/- 0.90   0.002% *  0.0845% (0.23   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+ 102  20.81 +/- 0.83   0.001% *  0.0905% (0.25   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+ 102  21.10 +/- 0.68   0.001% *  0.0905% (0.25   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  38  20.20 +/- 1.72   0.002% *  0.0437% (0.12   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  38  19.34 +/- 1.04   0.002% *  0.0207% (0.06   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  38  24.20 +/- 1.59   0.001% *  0.0666% (0.18   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  38  21.72 +/- 1.09   0.001% *  0.0284% (0.08   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  38  23.49 +/- 0.98   0.001% *  0.0257% (0.07   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  38  25.59 +/- 1.36   0.000% *  0.0207% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1247 (1.38, 3.02, 42.50 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 159.2:
    * O T HG3   LYS+ 102 - QE    LYS+ 102   2.19 +/- 0.07  99.501% * 92.3401% (1.00   4.00 159.17) =  99.999%  kept
          QB    LEU   98 - QE    LYS+ 102   6.48 +/- 0.29   0.159% *  0.1575% (0.34   0.02   1.65) =   0.000%
          HB    VAL   42 - QE    LYS+  99   8.00 +/- 0.57   0.049% *  0.3086% (0.67   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  99   6.96 +/- 0.26   0.103% *  0.1074% (0.23   0.02  15.74) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+ 102   9.61 +/- 0.69   0.017% *  0.4367% (0.95   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  99   7.95 +/- 0.79   0.055% *  0.0875% (0.19   0.02  15.74) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  99   9.78 +/- 0.67   0.015% *  0.3149% (0.68   0.02   1.32) =   0.000%
          HG    LEU   98 - QE    LYS+ 102   8.88 +/- 0.88   0.032% *  0.1284% (0.28   0.02   1.65) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  99  11.40 +/- 1.84   0.009% *  0.2979% (0.65   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  99  11.74 +/- 0.54   0.005% *  0.2979% (0.65   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  38  10.82 +/- 1.85   0.011% *  0.1057% (0.23   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  38  10.74 +/- 0.98   0.009% *  0.1000% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  99  13.13 +/- 0.47   0.002% *  0.3142% (0.68   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+ 102  14.50 +/- 0.61   0.001% *  0.4526% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  99  11.23 +/- 1.11   0.007% *  0.0623% (0.13   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  38  10.15 +/- 0.59   0.011% *  0.0361% (0.08   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  99  15.00 +/- 0.74   0.001% *  0.3086% (0.67   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+ 102  17.20 +/- 1.04   0.000% *  0.4367% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+ 102  17.56 +/- 0.48   0.000% *  0.4607% (1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  38  14.91 +/- 1.27   0.002% *  0.1036% (0.22   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  38  12.19 +/- 1.26   0.005% *  0.0294% (0.06   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  99  16.90 +/- 1.97   0.001% *  0.1910% (0.41   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 102  15.18 +/- 1.19   0.001% *  0.0914% (0.20   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  38  16.54 +/- 1.36   0.001% *  0.1055% (0.23   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  38  18.37 +/- 3.12   0.001% *  0.0641% (0.14   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  38  17.42 +/- 0.54   0.000% *  0.1000% (0.22   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 102  19.08 +/- 0.62   0.000% *  0.1733% (0.38   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  38  21.79 +/- 2.43   0.000% *  0.1036% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  99  22.17 +/- 0.61   0.000% *  0.3121% (0.68   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  99  19.40 +/- 0.66   0.000% *  0.1294% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+ 102  20.73 +/- 0.54   0.000% *  0.1898% (0.41   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  99  16.55 +/- 0.60   0.001% *  0.0486% (0.11   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+ 102  24.16 +/- 0.57   0.000% *  0.4526% (0.98   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+ 102  24.31 +/- 0.61   0.000% *  0.4576% (0.99   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  99  20.02 +/- 0.32   0.000% *  0.1182% (0.26   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+ 102  25.19 +/- 2.08   0.000% *  0.2800% (0.61   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  38  17.93 +/- 1.58   0.000% *  0.0209% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+ 102  21.40 +/- 0.35   0.000% *  0.0712% (0.15   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  38  22.27 +/- 0.71   0.000% *  0.0397% (0.09   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  38  21.11 +/- 1.54   0.000% *  0.0163% (0.04   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  38  30.08 +/- 1.32   0.000% *  0.1048% (0.23   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  38  25.95 +/- 1.12   0.000% *  0.0434% (0.09   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 0.776, support = 4.03, residual support = 168.5:
    * O T QD    LYS+ 102 - QE    LYS+ 102   2.12 +/- 0.01  31.660% * 71.1238% (1.00   4.00 159.17) =  73.140%  kept
      O   QD    LYS+  38 - QE    LYS+  38   2.10 +/- 0.02  33.931% * 12.2017% (0.18   3.74 215.13) =  13.448%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.09 +/- 0.03  34.345% * 12.0220% (0.15   4.45 172.32) =  13.412%  kept
          QD    LYS+  38 - QE    LYS+  99   7.15 +/- 0.60   0.025% *  0.1942% (0.55   0.02   0.02) =   0.000%
          QD    LYS+  38 - QE    LYS+ 102   9.95 +/- 1.45   0.004% *  0.2848% (0.80   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  99   9.77 +/- 0.61   0.004% *  0.2425% (0.68   0.02   1.32) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102   8.71 +/- 0.76   0.008% *  0.0887% (0.25   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+ 102   9.06 +/- 0.46   0.005% *  0.0792% (0.22   0.02   1.32) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  99  11.14 +/- 0.85   0.002% *  0.1276% (0.36   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  38  10.73 +/- 1.54   0.002% *  0.0814% (0.23   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+  38   8.50 +/- 0.78   0.010% *  0.0181% (0.05   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  99  12.69 +/- 0.85   0.001% *  0.2239% (0.63   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  12.47 +/- 0.65   0.001% *  0.0997% (0.28   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  11.82 +/- 0.59   0.001% *  0.0605% (0.17   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 102  14.46 +/- 0.68   0.000% *  0.1871% (0.53   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  99  14.71 +/- 0.52   0.000% *  0.1373% (0.39   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  16.46 +/- 0.57   0.000% *  0.1462% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 102  18.96 +/- 0.92   0.000% *  0.3283% (0.92   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 102  19.09 +/- 1.03   0.000% *  0.2301% (0.65   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 102  19.62 +/- 0.94   0.000% *  0.2013% (0.57   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+ 102  21.36 +/- 0.91   0.000% *  0.2443% (0.69   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 102  22.75 +/- 0.48   0.000% *  0.3364% (0.95   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  99  20.41 +/- 0.47   0.000% *  0.1569% (0.44   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  99  21.78 +/- 0.60   0.000% *  0.2294% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  16.37 +/- 1.06   0.000% *  0.0335% (0.09   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  99  20.87 +/- 0.70   0.000% *  0.1373% (0.39   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  99  21.74 +/- 0.92   0.000% *  0.1666% (0.47   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  38  20.73 +/- 2.31   0.000% *  0.0461% (0.13   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 102  23.15 +/- 0.47   0.000% *  0.2013% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  16.23 +/- 0.68   0.000% *  0.0203% (0.06   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  38  21.29 +/- 1.42   0.000% *  0.0751% (0.21   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  38  19.47 +/- 1.18   0.000% *  0.0428% (0.12   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  38  22.38 +/- 0.79   0.000% *  0.0527% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  38  28.10 +/- 1.09   0.000% *  0.0770% (0.22   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  38  26.26 +/- 1.20   0.000% *  0.0461% (0.13   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  38  29.18 +/- 1.10   0.000% *  0.0559% (0.16   0.02   0.02) =   0.000%
    Distance limit 2.59 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 = 0.637, support = 5.8, residual support = 138.2:
    * O T HB    ILE  103 - HA    ILE  103   2.95 +/- 0.01  19.946% * 80.1546% (1.00   5.66 138.21) =  54.797%  kept
      O T HG12  ILE  103 - HA    ILE  103   2.31 +/- 0.26  78.717% * 16.7526% (0.20   5.98 138.21) =  45.199%  kept
          HB3   ASP- 105 - HA    ILE  103   6.66 +/- 0.12   0.147% *  0.2807% (0.99   0.02   5.80) =   0.001%
          QB    LYS+ 106 - HA    ILE  103   6.64 +/- 0.28   0.156% *  0.2267% (0.80   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HA    THR   39   4.89 +/- 0.12   0.977% *  0.0233% (0.08   0.02  30.30) =   0.001%
          QB    LYS+  33 - HA    THR   39   8.77 +/- 0.65   0.033% *  0.0885% (0.31   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    THR   39  12.07 +/- 1.26   0.006% *  0.0933% (0.33   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE  103  14.07 +/- 0.64   0.002% *  0.2679% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE  103  11.58 +/- 0.90   0.006% *  0.0706% (0.25   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    THR   39  13.29 +/- 0.36   0.002% *  0.0927% (0.33   0.02   0.02) =   0.000%
        T HB    ILE  103 - HA    THR   39  13.83 +/- 0.28   0.002% *  0.0936% (0.33   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE  103  19.11 +/- 1.24   0.000% *  0.2825% (1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    THR   39  15.46 +/- 0.26   0.001% *  0.0749% (0.26   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ILE  103  17.13 +/- 0.59   0.001% *  0.1164% (0.41   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    THR   39  12.59 +/- 0.46   0.003% *  0.0185% (0.07   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ILE  103  18.42 +/- 0.51   0.000% *  0.1063% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE  103  22.17 +/- 0.60   0.000% *  0.2365% (0.84   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    THR   39  17.16 +/- 1.28   0.001% *  0.0385% (0.14   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE  103  23.23 +/- 0.72   0.000% *  0.2540% (0.90   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE  103  24.95 +/- 0.73   0.000% *  0.2825% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ILE  103  22.02 +/- 1.11   0.000% *  0.1164% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    THR   39  25.88 +/- 0.65   0.000% *  0.0781% (0.28   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    THR   39  27.69 +/- 0.72   0.000% *  0.0933% (0.33   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    THR   39  23.62 +/- 0.44   0.000% *  0.0351% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    THR   39  30.30 +/- 0.56   0.000% *  0.0839% (0.30   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    THR   39  28.00 +/- 0.97   0.000% *  0.0385% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.949, support = 5.34, residual support = 138.2:
    * O T QG2   ILE  103 - HA    ILE  103   2.75 +/- 0.03  77.432% * 69.8033% (1.00   5.38 138.21) =  90.822%  kept
        T QD1   ILE  103 - HA    ILE  103   3.52 +/- 0.25  19.055% * 28.6286% (0.45   4.92 138.21) =   9.167%  kept
          QD2   LEU   40 - HA    ILE  103   4.98 +/- 0.26   2.311% *  0.2505% (0.97   0.02   0.02) =   0.010%
          QD2   LEU   40 - HA    THR   39   5.85 +/- 0.18   0.866% *  0.0828% (0.32   0.02  24.31) =   0.001%
          QD1   LEU   67 - HA    ILE  103  10.38 +/- 1.29   0.033% *  0.2545% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    THR   39   7.73 +/- 0.45   0.168% *  0.0486% (0.19   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   8.63 +/- 0.66   0.090% *  0.0841% (0.32   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  11.72 +/- 0.22   0.013% *  0.0858% (0.33   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  13.13 +/- 0.25   0.007% *  0.1470% (0.57   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    ILE  103  14.06 +/- 0.61   0.004% *  0.1067% (0.41   0.02   0.02) =   0.000%
        T QD1   ILE  103 - HA    THR   39  12.19 +/- 0.61   0.011% *  0.0385% (0.15   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  14.11 +/- 0.34   0.004% *  0.0722% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  18.39 +/- 0.55   0.001% *  0.2545% (0.98   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  15.22 +/- 0.72   0.003% *  0.0238% (0.09   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  19.66 +/- 0.68   0.001% *  0.0841% (0.32   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    THR   39  18.18 +/- 0.56   0.001% *  0.0353% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 0.556, support = 5.17, residual support = 138.2:
      O T QG2   ILE  103 - HA    ILE  103   2.75 +/- 0.03  77.436% * 22.5120% (0.25   5.38 138.21) =  54.540%  kept
    *   T QD1   ILE  103 - HA    ILE  103   3.52 +/- 0.25  19.056% * 76.2397% (0.92   4.92 138.21) =  45.455%  kept
          QD2   LEU   40 - HA    ILE  103   4.98 +/- 0.26   2.311% *  0.0518% (0.15   0.02   0.02) =   0.004%
          QD2   LEU   71 - HA    THR   39   7.73 +/- 0.45   0.168% *  0.0927% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    THR   39   5.85 +/- 0.18   0.866% *  0.0171% (0.05   0.02  24.31) =   0.000%
          QD1   LEU   67 - HA    ILE  103  10.38 +/- 1.29   0.033% *  0.0588% (0.18   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  13.13 +/- 0.25   0.007% *  0.2804% (0.84   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   8.63 +/- 0.66   0.090% *  0.0194% (0.06   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  14.11 +/- 0.34   0.004% *  0.3350% (1.00   0.02   0.02) =   0.000%
        T QD1   ILE  103 - HA    THR   39  12.19 +/- 0.61   0.011% *  0.1024% (0.30   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  11.72 +/- 0.22   0.013% *  0.0277% (0.08   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  15.22 +/- 0.72   0.003% *  0.1107% (0.33   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  18.39 +/- 0.55   0.001% *  0.1145% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  19.66 +/- 0.68   0.001% *  0.0378% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.02 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   2.95 +/- 0.01  99.973% * 97.5596% (1.00   5.66 138.21) = 100.000%  kept
          HA    ASP-  44 - HB    ILE  103  13.06 +/- 0.37   0.014% *  0.3260% (0.95   0.02   0.02) =   0.000%
        T HA    THR   39 - HB    ILE  103  13.83 +/- 0.28   0.010% *  0.2503% (0.73   0.02   0.02) =   0.000%
          HB    THR   77 - HB    ILE  103  19.90 +/- 0.53   0.001% *  0.3378% (0.98   0.02   0.02) =   0.000%
          HA    SER   85 - HB    ILE  103  23.03 +/- 0.54   0.000% *  0.3378% (0.98   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    ILE  103  20.33 +/- 0.42   0.001% *  0.1064% (0.31   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    ILE  103  24.08 +/- 0.61   0.000% *  0.2760% (0.80   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB    ILE  103  20.73 +/- 0.76   0.001% *  0.0958% (0.28   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    ILE  103  27.26 +/- 0.76   0.000% *  0.2090% (0.61   0.02   0.02) =   0.000%
          HA    MET   11 - HB    ILE  103  33.25 +/- 2.89   0.000% *  0.3182% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB    ILE  103  27.77 +/- 1.10   0.000% *  0.0767% (0.22   0.02   0.02) =   0.000%
          HA    ALA   12 - HB    ILE  103  31.87 +/- 2.20   0.000% *  0.1064% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.858, support = 4.92, residual support = 138.2:
    * O T QG2   ILE  103 - HB    ILE  103   2.13 +/- 0.00  54.964% * 69.4052% (1.00   4.99 138.21) =  74.229%  kept
      O T QD1   ILE  103 - HB    ILE  103   2.21 +/- 0.13  45.000% * 29.4315% (0.45   4.72 138.21) =  25.771%  kept
          QD2   LEU   40 - HB    ILE  103   7.35 +/- 0.26   0.033% *  0.2685% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  12.56 +/- 1.30   0.002% *  0.2727% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  15.46 +/- 0.28   0.000% *  0.1575% (0.57   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  103  15.17 +/- 0.53   0.000% *  0.1144% (0.41   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  15.54 +/- 0.34   0.000% *  0.0774% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.12 +/- 0.49   0.000% *  0.2727% (0.98   0.02   0.02) =   0.000%
    Distance limit 2.75 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 = 0.749, support = 4.79, residual support = 138.2:
    * O T QD1   ILE  103 - HB    ILE  103   2.21 +/- 0.13  45.001% * 77.0962% (0.92   4.72 138.21) =  74.139%  kept
      O T QG2   ILE  103 - HB    ILE  103   2.13 +/- 0.00  54.964% * 22.0176% (0.25   4.99 138.21) =  25.861%  kept
          QD2   LEU   40 - HB    ILE  103   7.35 +/- 0.26   0.033% *  0.0546% (0.15   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  15.54 +/- 0.34   0.000% *  0.3532% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  15.46 +/- 0.28   0.000% *  0.2957% (0.84   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  12.56 +/- 1.30   0.002% *  0.0620% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  20.12 +/- 0.49   0.000% *  0.1208% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.75 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   2.75 +/- 0.03  99.919% * 97.4342% (1.00   5.38 138.21) = 100.000%  kept
          HA    ASP-  44 - QG2   ILE  103   9.66 +/- 0.25   0.054% *  0.3428% (0.95   0.02   0.02) =   0.000%
        T HA    THR   39 - QG2   ILE  103  11.72 +/- 0.22   0.017% *  0.2631% (0.73   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   ILE  103  15.93 +/- 0.37   0.003% *  0.3552% (0.98   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   ILE  103  15.40 +/- 0.33   0.003% *  0.1118% (0.31   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   ILE  103  19.29 +/- 0.37   0.001% *  0.3552% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   ILE  103  19.79 +/- 0.43   0.001% *  0.2901% (0.80   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   ILE  103  17.75 +/- 0.60   0.001% *  0.1007% (0.28   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   ILE  103  21.27 +/- 0.59   0.000% *  0.2198% (0.61   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   ILE  103  27.49 +/- 2.23   0.000% *  0.3345% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   ILE  103  22.64 +/- 0.83   0.000% *  0.0807% (0.22   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   ILE  103  26.17 +/- 1.64   0.000% *  0.1118% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 1.0, support = 4.99, residual support = 138.2:
    * O T HB    ILE  103 - QG2   ILE  103   2.13 +/- 0.00  83.892% * 96.8509% (1.00   4.99 138.21) =  99.967%  kept
          QB    LYS+ 106 - QG2   ILE  103   3.48 +/- 0.30   5.138% *  0.3109% (0.80   0.02   0.02) =   0.020%
      O T HG12  ILE  103 - QG2   ILE  103   3.06 +/- 0.20  10.204% *  0.0768% (0.20   0.02 138.21) =   0.010%
          HB3   ASP- 105 - QG2   ILE  103   4.68 +/- 0.12   0.759% *  0.3848% (0.99   0.02   5.80) =   0.004%
          QB    LYS+  33 - QG2   ILE  103  13.94 +/- 0.55   0.001% *  0.3673% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   ILE  103  12.25 +/- 0.73   0.002% *  0.0968% (0.25   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   ILE  103  14.08 +/- 0.44   0.001% *  0.1596% (0.41   0.02   0.02) =   0.000%
          HB    ILE   56 - QG2   ILE  103  14.31 +/- 0.38   0.001% *  0.1457% (0.38   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE  103  17.38 +/- 1.09   0.000% *  0.3874% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE  103  18.42 +/- 0.61   0.000% *  0.3482% (0.90   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE  103  18.76 +/- 0.49   0.000% *  0.3243% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   ILE  103  17.06 +/- 0.88   0.000% *  0.1596% (0.41   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE  103  20.34 +/- 0.58   0.000% *  0.3874% (1.00   0.02   0.02) =   0.000%
    Distance limit 2.76 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   3.52 +/- 0.25  99.567% * 97.2020% (0.92   4.92 138.21) =  99.998%  kept
          HA    ASP-  44 - QD1   ILE  103   9.57 +/- 0.51   0.301% *  0.3738% (0.87   0.02   0.02) =   0.001%
        T HA    THR   39 - QD1   ILE  103  12.19 +/- 0.61   0.058% *  0.2869% (0.67   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   ILE  103  14.55 +/- 0.59   0.023% *  0.3873% (0.90   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   ILE  103  16.97 +/- 0.48   0.009% *  0.3873% (0.90   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   ILE  103  15.10 +/- 0.59   0.018% *  0.1099% (0.26   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD1   ILE  103  18.01 +/- 0.54   0.006% *  0.3164% (0.74   0.02   0.02) =   0.000%
          HA    ALA   57 - QD1   ILE  103  15.98 +/- 0.52   0.013% *  0.1220% (0.28   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD1   ILE  103  21.29 +/- 0.91   0.002% *  0.2397% (0.56   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   ILE  103  27.52 +/- 2.24   0.001% *  0.3648% (0.85   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   ILE  103  22.70 +/- 0.97   0.001% *  0.0880% (0.21   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   ILE  103  26.29 +/- 1.69   0.001% *  0.1220% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 0.789, support = 4.7, residual support = 138.2:
    * O T HB    ILE  103 - QD1   ILE  103   2.21 +/- 0.13  46.080% * 81.4793% (0.92   4.72 138.21) =  81.843%  kept
      O T HG12  ILE  103 - QD1   ILE  103   2.15 +/- 0.01  52.738% * 15.7881% (0.18   4.62 138.21) =  18.150%  kept
          QB    LYS+ 106 - QD1   ILE  103   4.58 +/- 0.77   1.141% *  0.2765% (0.74   0.02   0.02) =   0.007%
          HB3   ASP- 105 - QD1   ILE  103   7.41 +/- 0.47   0.036% *  0.3423% (0.91   0.02   5.80) =   0.000%
          QB    LYS+  33 - QD1   ILE  103  12.99 +/- 0.85   0.001% *  0.3267% (0.87   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE  103  12.23 +/- 1.14   0.002% *  0.0861% (0.23   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE  103  16.71 +/- 0.57   0.000% *  0.2885% (0.77   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE  103  17.07 +/- 0.91   0.000% *  0.3097% (0.83   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   ILE  103  15.02 +/- 0.86   0.001% *  0.1296% (0.35   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   ILE  103  18.79 +/- 1.05   0.000% *  0.3446% (0.92   0.02   0.02) =   0.000%
          HG    LEU  123 - QD1   ILE  103  16.65 +/- 0.58   0.000% *  0.1420% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   ILE  103  17.44 +/- 1.24   0.000% *  0.1420% (0.38   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   ILE  103  20.64 +/- 0.85   0.000% *  0.3446% (0.92   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 216.1:
    * O T HB2   LEU  104 - HA    LEU  104   3.02 +/- 0.00  99.939% * 99.1464% (0.87   5.98 216.13) = 100.000%  kept
          QG2   VAL  108 - HA    LEU  104  11.35 +/- 0.33   0.036% *  0.3690% (0.96   0.02   0.02) =   0.000%
          QD1   ILE  119 - HA    LEU  104  13.45 +/- 0.44   0.013% *  0.2165% (0.56   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    LEU  104  13.73 +/- 0.58   0.012% *  0.0670% (0.17   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    LEU  104  21.24 +/- 0.67   0.001% *  0.2012% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 216.1:
    * O T HB3   LEU  104 - HA    LEU  104   2.53 +/- 0.02  99.934% * 97.9440% (0.76   5.31 216.13) = 100.000%  kept
          QG1   VAL   70 - HA    LEU  104   9.48 +/- 0.42   0.038% *  0.4663% (0.96   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU  104  11.10 +/- 0.63   0.015% *  0.4789% (0.99   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  104  13.63 +/- 0.43   0.004% *  0.4789% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU  104  12.83 +/- 0.41   0.006% *  0.1986% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  104  14.85 +/- 0.82   0.003% *  0.4333% (0.89   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 5.57, residual support = 216.1:
    * O T HG    LEU  104 - HA    LEU  104   3.35 +/- 0.06  98.837% * 98.3194% (1.00   5.57 216.13) =  99.997%  kept
          HB3   LYS+ 121 - HA    LEU  104   8.15 +/- 0.89   0.581% *  0.3528% (1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - HA    LEU  104   8.48 +/- 1.11   0.556% *  0.1089% (0.31   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HA    LEU  104  16.47 +/- 0.32   0.007% *  0.3458% (0.98   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    LEU  104  16.13 +/- 0.62   0.008% *  0.2424% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LEU  104  19.86 +/- 0.42   0.002% *  0.3405% (0.96   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HA    LEU  104  18.40 +/- 1.65   0.004% *  0.1324% (0.37   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU  104  19.22 +/- 0.36   0.003% *  0.0698% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  104  20.85 +/- 0.47   0.002% *  0.0880% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1270 (0.60, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 216.1:
    *   T QD1   LEU  104 - HA    LEU  104   3.59 +/- 0.04  99.666% * 98.6497% (0.96   5.31 216.13) =  99.999%  kept
        T QD1   LEU   63 - HA    LEU  104  10.01 +/- 0.45   0.225% *  0.1584% (0.41   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU  104  13.31 +/- 0.49   0.040% *  0.2945% (0.76   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU  104  12.91 +/- 0.38   0.047% *  0.1584% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  104  17.28 +/- 0.77   0.008% *  0.3343% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  104  17.97 +/- 0.51   0.006% *  0.3086% (0.80   0.02   0.02) =   0.000%
          QG2   ILE   89 - HA    LEU  104  17.49 +/- 0.40   0.008% *  0.0961% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1271 (0.73, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.77, residual support = 216.1:
    *   T QD2   LEU  104 - HA    LEU  104   1.86 +/- 0.02  99.904% * 98.9493% (1.00   5.77 216.13) = 100.000%  kept
        T QD1   LEU   98 - HA    LEU  104   6.21 +/- 0.28   0.077% *  0.1058% (0.31   0.02   7.82) =   0.000%
        T QG1   VAL   41 - HA    LEU  104   8.21 +/- 0.32   0.014% *  0.0678% (0.20   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    LEU  104  10.14 +/- 0.37   0.004% *  0.1169% (0.34   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HA    LEU  104  15.91 +/- 0.71   0.000% *  0.1940% (0.56   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU  104  17.78 +/- 0.38   0.000% *  0.3308% (0.96   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    LEU  104  17.40 +/- 0.43   0.000% *  0.2354% (0.69   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1272 (4.32, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.98, residual support = 216.1:
    * O T HA    LEU  104 - HB2   LEU  104   3.02 +/- 0.00  99.999% * 99.1536% (0.87   5.98 216.13) = 100.000%  kept
          HA    GLU-  14 - HB2   LEU  104  23.20 +/- 1.00   0.001% *  0.2540% (0.66   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   LEU  104  24.89 +/- 0.45   0.000% *  0.2283% (0.60   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   LEU  104  23.49 +/- 0.53   0.000% *  0.1490% (0.39   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   LEU  104  27.07 +/- 2.13   0.000% *  0.2150% (0.56   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 5.36, residual support = 216.1:
    * O T HB3   LEU  104 - HB2   LEU  104   1.75 +/- 0.00  99.971% * 97.9647% (0.66   5.36 216.13) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU  104   7.34 +/- 0.39   0.020% *  0.4616% (0.84   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU  104   9.62 +/- 0.61   0.004% *  0.4741% (0.86   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  104  10.02 +/- 0.37   0.003% *  0.1966% (0.36   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  104  11.63 +/- 0.45   0.001% *  0.4741% (0.86   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  104  12.46 +/- 0.84   0.001% *  0.4289% (0.78   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1275 (1.53, 1.04, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 5.68, residual support = 216.1:
    * O T HG    LEU  104 - HB2   LEU  104   2.29 +/- 0.02  99.791% * 98.3517% (0.87   5.68 216.13) =  99.999%  kept
          HB3   LYS+ 121 - HB2   LEU  104   7.15 +/- 0.92   0.141% *  0.3460% (0.87   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  104   8.39 +/- 1.12   0.063% *  0.1068% (0.27   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB2   LEU  104  13.96 +/- 0.58   0.002% *  0.2377% (0.60   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LEU  104  15.58 +/- 0.31   0.001% *  0.3392% (0.85   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   LEU  104  17.25 +/- 0.41   0.001% *  0.3339% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB2   LEU  104  16.31 +/- 1.65   0.001% *  0.1299% (0.33   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  104  17.95 +/- 0.48   0.000% *  0.0863% (0.22   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  104  17.31 +/- 0.33   0.001% *  0.0685% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 5.36, residual support = 216.1:
    * O T QD1   LEU  104 - HB2   LEU  104   2.65 +/- 0.04  99.803% * 98.6634% (0.84   5.36 216.13) = 100.000%  kept
        T QD1   LEU   63 - HB2   LEU  104   7.83 +/- 0.42   0.159% *  0.1568% (0.36   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU  104  11.75 +/- 0.49   0.013% *  0.2915% (0.66   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU  104  11.02 +/- 0.40   0.020% *  0.1568% (0.36   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  104  16.21 +/- 0.62   0.002% *  0.3309% (0.75   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  104  16.50 +/- 0.43   0.002% *  0.3054% (0.69   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   LEU  104  16.42 +/- 0.46   0.002% *  0.0951% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 5.95, residual support = 216.1:
    * O T QD2   LEU  104 - HB2   LEU  104   3.16 +/- 0.02  94.490% * 98.9793% (0.87   5.95 216.13) =  99.994%  kept
          QD1   LEU   98 - HB2   LEU  104   5.45 +/- 0.45   4.067% *  0.1028% (0.27   0.02   7.82) =   0.004%
        T QG1   VAL   41 - HB2   LEU  104   6.68 +/- 0.32   1.114% *  0.0659% (0.17   0.02   0.02) =   0.001%
          QG1   VAL   43 - HB2   LEU  104   8.30 +/- 0.34   0.297% *  0.1136% (0.30   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB2   LEU  104  13.46 +/- 0.72   0.017% *  0.1885% (0.49   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB2   LEU  104  15.59 +/- 0.40   0.007% *  0.3213% (0.84   0.02   0.02) =   0.000%
          QG2   THR   46 - HB2   LEU  104  15.41 +/- 0.53   0.007% *  0.2287% (0.60   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 216.1:
    * O T HA    LEU  104 - HB3   LEU  104   2.53 +/- 0.02 100.000% * 99.0471% (0.76   5.31 216.13) = 100.000%  kept
          HA    GLU-  14 - HB3   LEU  104  24.16 +/- 1.01   0.000% *  0.2860% (0.58   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   LEU  104  26.45 +/- 0.48   0.000% *  0.2571% (0.52   0.02   0.02) =   0.000%
          HA    TRP   87 - HB3   LEU  104  24.93 +/- 0.51   0.000% *  0.1678% (0.34   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   LEU  104  27.84 +/- 2.21   0.000% *  0.2421% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 5.36, residual support = 216.1:
    * O T HB2   LEU  104 - HB3   LEU  104   1.75 +/- 0.00  99.996% * 99.0489% (0.66   5.36 216.13) = 100.000%  kept
          QG2   VAL  108 - HB3   LEU  104  11.68 +/- 0.21   0.001% *  0.4112% (0.74   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LEU  104  11.77 +/- 0.51   0.001% *  0.2412% (0.43   0.02   0.02) =   0.000%
          HG    LEU   63 - HB3   LEU  104  11.59 +/- 0.63   0.001% *  0.0746% (0.13   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU  104  19.94 +/- 0.61   0.000% *  0.2242% (0.40   0.02   0.02) =   0.000%
    Distance limit 2.58 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 = 5.19, residual support = 216.1:
    * O T HG    LEU  104 - HB3   LEU  104   2.98 +/- 0.01  97.761% * 98.1967% (0.76   5.19 216.13) =  99.993%  kept
          HB3   LYS+ 121 - HB3   LEU  104   6.40 +/- 0.96   1.420% *  0.3786% (0.76   0.02   0.02) =   0.006%
          HD2   LYS+ 121 - HB3   LEU  104   7.42 +/- 1.20   0.797% *  0.1168% (0.24   0.02   0.02) =   0.001%
          QD    LYS+  66 - HB3   LEU  104  13.91 +/- 0.63   0.010% *  0.2601% (0.52   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   LEU  104  15.95 +/- 0.33   0.004% *  0.3711% (0.75   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   LEU  104  18.63 +/- 0.44   0.002% *  0.3654% (0.74   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB3   LEU  104  17.65 +/- 1.68   0.003% *  0.1421% (0.29   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LEU  104  18.58 +/- 0.50   0.002% *  0.0944% (0.19   0.02   0.02) =   0.000%
          QG2   THR   26 - HB3   LEU  104  18.68 +/- 0.34   0.002% *  0.0749% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 216.1:
    * O T QD1   LEU  104 - HB3   LEU  104   2.10 +/- 0.06  99.966% * 98.5685% (0.74   5.00 216.13) = 100.000%  kept
        T QD1   LEU   63 - HB3   LEU  104   8.38 +/- 0.50   0.028% *  0.1680% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU  104  11.91 +/- 0.54   0.003% *  0.3122% (0.58   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU  104  12.42 +/- 0.40   0.002% *  0.1680% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU  104  17.62 +/- 0.63   0.000% *  0.3544% (0.66   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  104  17.95 +/- 0.43   0.000% *  0.3271% (0.61   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB3   LEU  104  17.66 +/- 0.43   0.000% *  0.1019% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 5.4, residual support = 216.1:
    * O T QD2   LEU  104 - HB3   LEU  104   2.68 +/- 0.05  99.382% * 98.8768% (0.76   5.40 216.13) =  99.999%  kept
          QD1   LEU   98 - HB3   LEU  104   6.76 +/- 0.36   0.412% *  0.1131% (0.24   0.02   7.82) =   0.000%
        T QG1   VAL   41 - HB3   LEU  104   7.93 +/- 0.32   0.154% *  0.0725% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB3   LEU  104   9.76 +/- 0.34   0.044% *  0.1250% (0.26   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB3   LEU  104  14.48 +/- 0.73   0.004% *  0.2074% (0.43   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB3   LEU  104  16.82 +/- 0.44   0.002% *  0.3536% (0.74   0.02   0.02) =   0.000%
          QG2   THR   46 - HB3   LEU  104  16.59 +/- 0.56   0.002% *  0.2517% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 5.57, residual support = 216.1:
    * O T HA    LEU  104 - HG    LEU  104   3.35 +/- 0.06  99.997% * 99.0925% (1.00   5.57 216.13) = 100.000%  kept
          HA    GLU-  14 - HG    LEU  104  23.00 +/- 1.14   0.001% *  0.2724% (0.76   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG    LEU  104  25.16 +/- 0.52   0.001% *  0.2448% (0.69   0.02   0.02) =   0.000%
          HA    TRP   87 - HG    LEU  104  24.11 +/- 0.60   0.001% *  0.1598% (0.45   0.02   0.02) =   0.000%
          HA    ALA   12 - HG    LEU  104  26.63 +/- 2.45   0.000% *  0.2305% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1285 (1.04, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.68, residual support = 216.1:
    * O T HB2   LEU  104 - HG    LEU  104   2.29 +/- 0.02  99.990% * 99.1026% (0.87   5.68 216.13) = 100.000%  kept
          QG2   VAL  108 - HG    LEU  104  12.86 +/- 0.35   0.003% *  0.3879% (0.97   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU  104  13.34 +/- 0.52   0.003% *  0.2276% (0.57   0.02   0.02) =   0.000%
          HG    LEU   63 - HG    LEU  104  12.82 +/- 0.72   0.004% *  0.0704% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HG    LEU  104  21.72 +/- 0.62   0.000% *  0.2115% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 5.19, residual support = 216.1:
    * O T HB3   LEU  104 - HG    LEU  104   2.98 +/- 0.01  99.338% * 97.8984% (0.76   5.19 216.13) =  99.997%  kept
          QG1   VAL   70 - HG    LEU  104   7.21 +/- 0.39   0.526% *  0.4766% (0.97   0.02   0.02) =   0.003%
          QD1   LEU  123 - HG    LEU  104  10.80 +/- 0.67   0.048% *  0.4895% (0.99   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  104  10.98 +/- 0.43   0.041% *  0.4895% (0.99   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  104  13.05 +/- 0.85   0.015% *  0.4429% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  104  11.41 +/- 0.33   0.032% *  0.2030% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 5.19, residual support = 216.1:
    * O T QD1   LEU  104 - HG    LEU  104   2.11 +/- 0.01  99.977% * 98.6195% (0.97   5.19 216.13) = 100.000%  kept
        T QD1   LEU   63 - HG    LEU  104   9.33 +/- 0.44   0.014% *  0.1620% (0.41   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU  104  10.81 +/- 0.42   0.006% *  0.1620% (0.41   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG    LEU  104  13.54 +/- 0.49   0.001% *  0.3011% (0.76   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  104  16.32 +/- 0.69   0.000% *  0.3417% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  104  16.56 +/- 0.51   0.000% *  0.3155% (0.80   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG    LEU  104  17.27 +/- 0.49   0.000% *  0.0982% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1289 (0.73, 1.53, 26.82 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 216.1:
    * O T QD2   LEU  104 - HG    LEU  104   2.12 +/- 0.01  99.310% * 98.9206% (1.00   5.62 216.13) =  99.999%  kept
          QD1   LEU   98 - HG    LEU  104   5.42 +/- 0.35   0.396% *  0.1087% (0.31   0.02   7.82) =   0.000%
        T QG1   VAL   41 - HG    LEU  104   5.76 +/- 0.33   0.267% *  0.0697% (0.20   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU  104   8.55 +/- 0.33   0.024% *  0.1201% (0.34   0.02   0.02) =   0.000%
          QD1   ILE   19 - HG    LEU  104  15.38 +/- 0.46   0.001% *  0.3398% (0.97   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HG    LEU  104  14.19 +/- 0.71   0.001% *  0.1993% (0.57   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU  104  16.46 +/- 0.50   0.000% *  0.2419% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 216.1:
    *   T HA    LEU  104 - QD1   LEU  104   3.59 +/- 0.04  99.608% * 98.5655% (0.96   5.31 216.13) = 100.000%  kept
        T HA    LEU  104 - QD1   LEU   63  10.01 +/- 0.45   0.225% *  0.0684% (0.18   0.02   0.02) =   0.000%
        T HA    LEU  104 - QD1   LEU   73  12.91 +/- 0.38   0.047% *  0.0684% (0.18   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   73  13.23 +/- 0.91   0.045% *  0.0524% (0.14   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU  104  18.84 +/- 1.00   0.005% *  0.2846% (0.74   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   73  15.14 +/- 0.25   0.018% *  0.0471% (0.12   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   63  16.11 +/- 0.61   0.013% *  0.0524% (0.14   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU  104  21.66 +/- 2.07   0.003% *  0.2409% (0.62   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   73  15.69 +/- 0.53   0.015% *  0.0308% (0.08   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   73  17.28 +/- 1.43   0.009% *  0.0444% (0.11   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU  104  22.83 +/- 0.38   0.002% *  0.2558% (0.66   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU  104  21.91 +/- 0.49   0.002% *  0.1670% (0.43   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   63  20.09 +/- 1.05   0.003% *  0.0444% (0.11   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   63  21.39 +/- 0.38   0.002% *  0.0471% (0.12   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   63  19.92 +/- 0.28   0.003% *  0.0308% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 0.727, support = 5.4, residual support = 219.9:
    * O T HB2   LEU  104 - QD1   LEU  104   2.65 +/- 0.04  19.389% * 94.9137% (0.84   5.36 216.13) =  86.389%  kept
      O T HG    LEU   63 - QD1   LEU   63   2.10 +/- 0.01  77.871% *  3.7219% (0.03   5.65 243.64) =  13.605%  kept
        T QD1   ILE  119 - QD1   LEU   63   3.99 +/- 0.62   2.665% *  0.0426% (0.10   0.02   0.02) =   0.005%
        T HB2   LEU  104 - QD1   LEU   63   7.83 +/- 0.42   0.031% *  0.0652% (0.15   0.02   0.02) =   0.000%
        T QD1   ILE  119 - QD1   LEU  104  10.55 +/- 0.52   0.005% *  0.2311% (0.55   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU  104  11.49 +/- 0.19   0.003% *  0.3940% (0.93   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   63   9.20 +/- 0.23   0.011% *  0.0726% (0.17   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  10.13 +/- 0.69   0.007% *  0.0715% (0.17   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63   9.67 +/- 0.68   0.009% *  0.0396% (0.09   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   73  11.02 +/- 0.40   0.004% *  0.0652% (0.15   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   73  13.45 +/- 0.67   0.001% *  0.0726% (0.17   0.02   0.02) =   0.000%
        T QD1   ILE  119 - QD1   LEU   73  13.26 +/- 0.71   0.001% *  0.0426% (0.10   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  18.07 +/- 0.50   0.000% *  0.2148% (0.51   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU   73  12.37 +/- 0.79   0.002% *  0.0132% (0.03   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  18.68 +/- 0.69   0.000% *  0.0396% (0.09   0.02   0.02) =   0.000%
    Distance limit 2.67 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 = 0.703, support = 5.05, residual support = 217.5:
    * O T HB3   LEU  104 - QD1   LEU  104   2.10 +/- 0.06  65.215% * 87.0229% (0.74   5.00 216.13) =  94.773%  kept
      O T HB3   LEU   63 - QD1   LEU   63   2.40 +/- 0.13  30.544% * 10.2312% (0.07   5.93 243.64) =   5.219%  kept
          QD1   LEU   71 - QD1   LEU   73   4.02 +/- 0.80   3.199% *  0.0831% (0.18   0.02   0.02) =   0.004%
          QG1   VAL   70 - QD1   LEU  104   5.14 +/- 0.39   0.334% *  0.4396% (0.93   0.02   0.02) =   0.002%
          QG1   VAL   18 - QD1   LEU   73   5.39 +/- 0.45   0.257% *  0.0752% (0.16   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   63   5.65 +/- 0.42   0.190% *  0.0831% (0.18   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104   7.77 +/- 0.61   0.028% *  0.4515% (0.96   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   63   6.44 +/- 0.38   0.085% *  0.0810% (0.17   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   63   6.56 +/- 0.52   0.082% *  0.0752% (0.16   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   9.47 +/- 0.45   0.008% *  0.4515% (0.96   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104   8.99 +/- 0.38   0.011% *  0.1873% (0.40   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  11.21 +/- 0.74   0.003% *  0.4085% (0.87   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   63   8.38 +/- 0.50   0.017% *  0.0641% (0.14   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   8.66 +/- 0.17   0.014% *  0.0810% (0.17   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63  10.03 +/- 0.84   0.006% *  0.0831% (0.18   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  10.77 +/- 0.74   0.004% *  0.0345% (0.07   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   73  12.42 +/- 0.40   0.002% *  0.0641% (0.14   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  13.63 +/- 0.49   0.001% *  0.0831% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 5.19, residual support = 216.1:
    * O T HG    LEU  104 - QD1   LEU  104   2.11 +/- 0.01  98.568% * 97.4137% (0.97   5.19 216.13) =  99.999%  kept
          HB3   LYS+ 121 - QD1   LEU  104   6.70 +/- 0.86   0.129% *  0.3756% (0.97   0.02   0.02) =   0.001%
          HB3   LYS+ 121 - QD1   LEU   63   6.23 +/- 0.48   0.169% *  0.0692% (0.18   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  104   7.81 +/- 1.17   0.073% *  0.1159% (0.30   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   73   5.06 +/- 0.24   0.546% *  0.0137% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   73   5.85 +/- 0.67   0.282% *  0.0260% (0.07   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   63   7.15 +/- 0.82   0.089% *  0.0475% (0.12   0.02   6.08) =   0.000%
          HD3   LYS+  74 - QD1   LEU   63   8.79 +/- 0.50   0.020% *  0.0668% (0.17   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU  104  11.35 +/- 0.50   0.004% *  0.2580% (0.66   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   73   9.21 +/- 0.20   0.015% *  0.0668% (0.17   0.02  45.45) =   0.000%
        T HG    LEU  104 - QD1   LEU   63   9.33 +/- 0.44   0.014% *  0.0692% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   63   9.44 +/- 0.35   0.013% *  0.0678% (0.17   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   63   8.19 +/- 0.91   0.038% *  0.0213% (0.05   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   63   8.53 +/- 0.37   0.024% *  0.0172% (0.04   0.02   1.19) =   0.000%
        T HG    LEU  104 - QD1   LEU   73  10.81 +/- 0.42   0.006% *  0.0692% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU  104  13.29 +/- 1.43   0.002% *  0.1410% (0.36   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU  104  15.23 +/- 0.30   0.001% *  0.3681% (0.95   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU  104  15.95 +/- 0.41   0.001% *  0.3624% (0.93   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  104  15.15 +/- 0.51   0.001% *  0.0936% (0.24   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  104  15.03 +/- 0.38   0.001% *  0.0743% (0.19   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   73  15.09 +/- 0.42   0.001% *  0.0692% (0.18   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   73  14.41 +/- 0.52   0.001% *  0.0475% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   63  14.72 +/- 1.13   0.001% *  0.0260% (0.07   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   73  13.59 +/- 0.56   0.001% *  0.0172% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   73  17.21 +/- 0.37   0.000% *  0.0678% (0.17   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   63  13.37 +/- 0.44   0.002% *  0.0137% (0.04   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   73  16.65 +/- 0.96   0.000% *  0.0213% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 5.45, residual support = 216.1:
    * O T QD2   LEU  104 - QD1   LEU  104   2.06 +/- 0.03  76.038% * 98.3531% (0.97   5.45 216.13) =  99.992%  kept
          QG1   VAL   43 - QD1   LEU   73   2.72 +/- 0.56  22.044% *  0.0227% (0.06   0.02  10.58) =   0.007%
          QD1   ILE   19 - QD1   LEU   73   4.75 +/- 0.29   0.575% *  0.0641% (0.17   0.02   5.23) =   0.000%
          QD1   LEU   98 - QD1   LEU  104   6.08 +/- 0.32   0.120% *  0.1114% (0.30   0.02   7.82) =   0.000%
        T QG1   VAL   41 - QD1   LEU  104   5.75 +/- 0.35   0.177% *  0.0714% (0.19   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   73   4.60 +/- 0.32   0.654% *  0.0132% (0.04   0.02   0.62) =   0.000%
        T QG2   VAL   18 - QD1   LEU   63   6.45 +/- 0.65   0.099% *  0.0376% (0.10   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   8.19 +/- 0.30   0.020% *  0.1231% (0.33   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   73   6.53 +/- 0.64   0.092% *  0.0205% (0.05   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU   73   7.20 +/- 0.36   0.043% *  0.0376% (0.10   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.19 +/- 0.35   0.044% *  0.0227% (0.06   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   63   9.05 +/- 0.39   0.011% *  0.0665% (0.18   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   63   8.49 +/- 0.46   0.016% *  0.0457% (0.12   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   73   8.51 +/- 0.32   0.015% *  0.0457% (0.12   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   63   8.24 +/- 1.11   0.027% *  0.0205% (0.05   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU  104  11.93 +/- 0.64   0.002% *  0.2043% (0.55   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU  104  13.26 +/- 0.48   0.001% *  0.3483% (0.93   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   73  10.54 +/- 0.35   0.004% *  0.0665% (0.18   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   63  11.36 +/- 0.36   0.003% *  0.0641% (0.17   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63   8.73 +/- 0.45   0.013% *  0.0132% (0.04   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU  104  14.39 +/- 0.55   0.001% *  0.2479% (0.66   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1296 (4.32, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.998, support = 5.77, residual support = 216.1:
    *   T HA    LEU  104 - QD2   LEU  104   1.86 +/- 0.02  99.980% * 98.8738% (1.00   5.77 216.13) = 100.000%  kept
        T HA    LEU  104 - QG1   VAL   41   8.21 +/- 0.32   0.014% *  0.0184% (0.05   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   VAL   18  10.25 +/- 0.72   0.004% *  0.0403% (0.12   0.02   0.02) =   0.000%
        T HA    LEU  104 - QG2   VAL   18  15.91 +/- 0.71   0.000% *  0.0526% (0.15   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   VAL   18  15.02 +/- 1.01   0.000% *  0.0341% (0.10   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD2   LEU  104  20.96 +/- 1.00   0.000% *  0.2623% (0.76   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD2   LEU  104  21.95 +/- 0.58   0.000% *  0.2358% (0.69   0.02   0.02) =   0.000%
          HA    TRP   87 - QD2   LEU  104  20.97 +/- 0.53   0.000% *  0.1539% (0.45   0.02   0.02) =   0.000%
          HA    ALA   12 - QD2   LEU  104  23.77 +/- 2.18   0.000% *  0.2220% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG1   VAL   41  15.58 +/- 1.09   0.000% *  0.0141% (0.04   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   VAL   18  20.23 +/- 0.50   0.000% *  0.0362% (0.11   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG1   VAL   41  17.87 +/- 0.47   0.000% *  0.0127% (0.04   0.02   0.02) =   0.000%
          HA    TRP   87 - QG2   VAL   18  19.84 +/- 0.54   0.000% *  0.0236% (0.07   0.02   0.02) =   0.000%
          HA    ALA   12 - QG1   VAL   41  18.89 +/- 2.00   0.000% *  0.0119% (0.03   0.02   0.02) =   0.000%
          HA    TRP   87 - QG1   VAL   41  17.93 +/- 0.75   0.000% *  0.0083% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1297 (1.04, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 5.95, residual support = 216.1:
    * O T HB2   LEU  104 - QD2   LEU  104   3.16 +/- 0.02  97.745% * 98.8973% (0.87   5.95 216.13) =  99.999%  kept
        T HB2   LEU  104 - QG1   VAL   41   6.68 +/- 0.32   1.153% *  0.0179% (0.05   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD2   LEU  104  11.01 +/- 0.30   0.055% *  0.3701% (0.97   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   18   8.90 +/- 0.60   0.215% *  0.0334% (0.09   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD2   LEU  104  12.05 +/- 0.44   0.033% *  0.2171% (0.57   0.02   0.02) =   0.000%
          HG    LEU   63 - QG2   VAL   18   7.86 +/- 0.84   0.624% *  0.0103% (0.03   0.02   0.02) =   0.000%
          HG    LEU   63 - QD2   LEU  104  12.15 +/- 0.58   0.032% *  0.0672% (0.18   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QG2   VAL   18  13.46 +/- 0.72   0.018% *  0.0511% (0.13   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   VAL   18  13.85 +/- 0.67   0.015% *  0.0569% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG2   VAL   18  13.40 +/- 0.84   0.018% *  0.0310% (0.08   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG1   VAL   41  12.63 +/- 0.70   0.025% *  0.0199% (0.05   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU  104  19.17 +/- 0.53   0.002% *  0.2018% (0.53   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   41  12.81 +/- 0.64   0.023% *  0.0117% (0.03   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   41  11.84 +/- 0.78   0.040% *  0.0036% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   41  19.50 +/- 0.65   0.002% *  0.0108% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 0.508, support = 4.83, residual support = 159.7:
    * O T HB3   LEU  104 - QD2   LEU  104   2.68 +/- 0.05  16.035% * 86.3085% (0.76   5.40 216.13) =  59.080%  kept
      O T QG1   VAL   18 - QG2   VAL   18   2.03 +/- 0.05  83.109% * 11.5330% (0.14   4.00  78.25) =  40.918%  kept
          QG1   VAL   70 - QD2   LEU  104   7.26 +/- 0.37   0.042% *  0.4038% (0.97   0.02   0.02) =   0.001%
          QD1   LEU   71 - QG1   VAL   41   4.92 +/- 0.51   0.518% *  0.0223% (0.05   0.02   2.75) =   0.000%
          QD1   LEU  123 - QD2   LEU  104   9.57 +/- 0.60   0.008% *  0.4147% (0.99   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   7.84 +/- 0.94   0.037% *  0.0637% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   6.21 +/- 0.26   0.107% *  0.0217% (0.05   0.02   2.70) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  10.61 +/- 0.39   0.004% *  0.4147% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL   18   7.00 +/- 0.57   0.060% *  0.0264% (0.06   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   8.58 +/- 0.47   0.016% *  0.0621% (0.15   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  12.55 +/- 0.70   0.002% *  0.3753% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  11.15 +/- 0.31   0.003% *  0.1720% (0.41   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41   7.93 +/- 0.32   0.025% *  0.0172% (0.04   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QG1   VAL   41   8.31 +/- 0.71   0.020% *  0.0202% (0.05   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  10.80 +/- 0.44   0.004% *  0.0637% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  11.63 +/- 0.64   0.003% *  0.0223% (0.05   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  10.13 +/- 0.62   0.006% *  0.0092% (0.02   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  14.48 +/- 0.73   0.001% *  0.0491% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1299 (1.53, 0.73, 22.45 ppm):
    27 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 216.1:
    * O T HG    LEU  104 - QD2   LEU  104   2.12 +/- 0.01  97.075% * 97.7821% (1.00   5.62 216.13) =  99.998%  kept
          HD3   LYS+  74 - QG2   VAL   18   4.48 +/- 0.66   1.893% *  0.0516% (0.15   0.02   0.99) =   0.001%
          HG2   LYS+  65 - QG2   VAL   18   5.97 +/- 0.70   0.504% *  0.1574% (0.04   0.24   0.02) =   0.001%
          HB3   LYS+ 121 - QD2   LEU  104   7.89 +/- 0.83   0.045% *  0.3480% (1.00   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG1   VAL   41   5.76 +/- 0.33   0.262% *  0.0187% (0.05   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  104   8.36 +/- 1.05   0.038% *  0.1074% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG1   VAL   41   7.16 +/- 1.16   0.113% *  0.0070% (0.02   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG2   VAL   18   9.41 +/- 0.96   0.018% *  0.0367% (0.11   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  13.55 +/- 0.50   0.001% *  0.2391% (0.69   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU  104  15.50 +/- 0.26   0.001% *  0.3412% (0.98   0.02   0.02) =   0.000%
          QG2   THR   26 - QG2   VAL   18   8.76 +/- 0.27   0.020% *  0.0106% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD2   LEU  104  14.30 +/- 1.41   0.001% *  0.1306% (0.38   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD2   LEU  104  17.22 +/- 0.34   0.000% *  0.3359% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG2   VAL   18  11.76 +/- 0.70   0.004% *  0.0201% (0.06   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG2   VAL   18  14.06 +/- 0.81   0.001% *  0.0535% (0.15   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG2   VAL   18  14.19 +/- 0.71   0.001% *  0.0535% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG1   VAL   41  12.01 +/- 0.70   0.003% *  0.0187% (0.05   0.02   0.02) =   0.000%
          QG2   THR   26 - QG1   VAL   41   9.58 +/- 0.30   0.012% *  0.0037% (0.01   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG2   VAL   18  14.97 +/- 0.61   0.001% *  0.0524% (0.15   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  15.73 +/- 0.38   0.001% *  0.0689% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG1   VAL   41  12.98 +/- 0.47   0.002% *  0.0180% (0.05   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  17.51 +/- 0.44   0.000% *  0.0868% (0.25   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  13.61 +/- 0.28   0.001% *  0.0128% (0.04   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG1   VAL   41  13.38 +/- 1.08   0.002% *  0.0058% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG2   VAL   18  16.00 +/- 0.88   0.001% *  0.0165% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG1   VAL   41  16.98 +/- 0.52   0.000% *  0.0183% (0.05   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG1   VAL   41  14.86 +/- 0.45   0.001% *  0.0047% (0.01   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 5.45, residual support = 216.1:
    * O T QD1   LEU  104 - QD2   LEU  104   2.06 +/- 0.03  98.492% * 98.3433% (0.97   5.45 216.13) = 100.000%  kept
        T QD1   LEU   73 - QG1   VAL   41   4.60 +/- 0.32   0.996% *  0.0083% (0.02   0.02   0.62) =   0.000%
        T QD1   LEU  104 - QG1   VAL   41   5.75 +/- 0.35   0.227% *  0.0194% (0.05   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG2   VAL   18   6.45 +/- 0.65   0.138% *  0.0236% (0.06   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104   9.05 +/- 0.39   0.014% *  0.1537% (0.41   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   7.20 +/- 0.36   0.058% *  0.0236% (0.06   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  10.54 +/- 0.35   0.006% *  0.1537% (0.41   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU  104  12.17 +/- 0.44   0.002% *  0.2857% (0.76   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   18   9.34 +/- 0.47   0.012% *  0.0439% (0.12   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG2   VAL   18  10.29 +/- 0.38   0.007% *  0.0460% (0.12   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU  104  14.72 +/- 0.68   0.001% *  0.3243% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU  104  15.13 +/- 0.48   0.001% *  0.2994% (0.80   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG2   VAL   18  11.93 +/- 0.64   0.003% *  0.0554% (0.15   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   8.73 +/- 0.45   0.019% *  0.0083% (0.02   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL   41   9.87 +/- 0.37   0.009% *  0.0161% (0.04   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG2   VAL   18  12.08 +/- 0.52   0.003% *  0.0498% (0.13   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG1   VAL   41  10.27 +/- 0.41   0.007% *  0.0174% (0.05   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD2   LEU  104  15.46 +/- 0.38   0.001% *  0.0932% (0.25   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG2   VAL   18  11.75 +/- 0.46   0.003% *  0.0143% (0.04   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG1   VAL   41  13.01 +/- 0.66   0.002% *  0.0153% (0.04   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG1   VAL   41  12.60 +/- 0.67   0.002% *  0.0050% (0.01   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 = 3.12, residual support = 39.4:
    * O T HB2   ASP- 105 - HA    ASP- 105   2.64 +/- 0.06  99.914% * 97.2004% (0.95   3.12  39.37) = 100.000%  kept
          HB2   MET   96 - HA    ASP- 105   9.08 +/- 0.23   0.062% *  0.3995% (0.61   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP- 105  13.66 +/- 0.34   0.005% *  0.6456% (0.98   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP- 105  12.14 +/- 0.60   0.011% *  0.1153% (0.18   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    ASP- 105  13.86 +/- 0.51   0.005% *  0.1466% (0.22   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP- 105  18.06 +/- 0.91   0.001% *  0.3995% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ASP- 105  22.46 +/- 0.43   0.000% *  0.6572% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP- 105  23.82 +/- 0.65   0.000% *  0.3206% (0.49   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    ASP- 105  20.17 +/- 0.51   0.001% *  0.1153% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.78 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 = 3.12, residual support = 39.4:
    * O T HA    ASP- 105 - HB2   ASP- 105   2.64 +/- 0.06  99.999% * 98.6153% (0.95   3.12  39.37) = 100.000%  kept
          HA    LEU   80 - HB2   ASP- 105  23.93 +/- 0.60   0.000% *  0.4831% (0.72   0.02   0.02) =   0.000%
          HB    THR   23 - HB2   ASP- 105  26.17 +/- 0.38   0.000% *  0.5669% (0.85   0.02   0.02) =   0.000%
          HA    THR   23 - HB2   ASP- 105  24.75 +/- 0.40   0.000% *  0.2372% (0.36   0.02   0.02) =   0.000%
          HA    ASP-  78 - HB2   ASP- 105  23.88 +/- 0.25   0.000% *  0.0975% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 6.12, residual support = 131.1:
    * O T QB    LYS+ 106 - HA    LYS+ 106   2.40 +/- 0.10  97.777% * 97.3267% (1.00   6.12 131.09) =  99.994%  kept
          HB3   ASP- 105 - HA    LYS+ 106   4.60 +/- 0.14   2.096% *  0.2759% (0.87   0.02  21.37) =   0.006%
          HB    ILE  103 - HA    LYS+ 106   7.52 +/- 0.30   0.110% *  0.2547% (0.80   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+ 106  11.95 +/- 0.49   0.007% *  0.2431% (0.76   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+ 106  12.28 +/- 0.25   0.006% *  0.0884% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+ 106  17.23 +/- 0.50   0.001% *  0.3008% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+ 106  17.52 +/- 0.68   0.001% *  0.1929% (0.61   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+ 106  19.05 +/- 0.52   0.000% *  0.3117% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+ 106  16.66 +/- 0.59   0.001% *  0.1307% (0.41   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+ 106  19.41 +/- 0.65   0.000% *  0.2656% (0.84   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+ 106  19.48 +/- 0.95   0.000% *  0.2431% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+ 106  21.11 +/- 0.39   0.000% *  0.3173% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+ 106  15.67 +/- 0.26   0.001% *  0.0491% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 5.14, residual support = 131.1:
    * O T HG2   LYS+ 106 - HA    LYS+ 106   2.87 +/- 0.52  99.859% * 99.1951% (1.00   5.14 131.09) = 100.000%  kept
          HB3   LYS+ 111 - HA    LYS+ 106   9.32 +/- 0.32   0.127% *  0.0596% (0.15   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+ 106  13.97 +/- 0.55   0.011% *  0.0676% (0.18   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+ 106  19.26 +/- 1.38   0.002% *  0.2951% (0.76   0.02   0.02) =   0.000%
        T QG    LYS+  81 - HA    LYS+ 106  20.61 +/- 0.40   0.001% *  0.3827% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1310 (1.70, 5.63, 56.31 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.8, residual support = 131.1:
    *   T QD    LYS+ 106 - HA    LYS+ 106   3.81 +/- 0.32  98.189% * 97.7688% (1.00   4.80 131.09) =  99.996%  kept
          QG1   ILE   56 - HA    LYS+ 106   8.67 +/- 0.37   0.827% *  0.1983% (0.49   0.02   0.02) =   0.002%
        T QD    LYS+  99 - HA    LYS+ 106  11.12 +/- 0.30   0.176% *  0.4065% (1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    LYS+ 106  11.43 +/- 0.52   0.149% *  0.3403% (0.84   0.02   0.02) =   0.001%
          HB2   LEU   73 - HA    LYS+ 106  12.25 +/- 0.48   0.101% *  0.3854% (0.95   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+ 106  12.26 +/- 0.74   0.111% *  0.2959% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LYS+ 106  11.04 +/- 0.47   0.181% *  0.1529% (0.38   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+ 106  11.55 +/- 1.06   0.169% *  0.1016% (0.25   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 106  13.31 +/- 0.18   0.059% *  0.1675% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 106  14.52 +/- 0.46   0.036% *  0.1827% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1311 (2.98, 5.63, 56.31 ppm):
    5 chemical-shift based assignments, quality = 0.871, support = 4.24, residual support = 75.5:
    *   T QE    LYS+ 106 - HA    LYS+ 106   4.34 +/- 0.52  38.037% * 64.4431% (1.00   4.80 131.09) =  53.050%  kept
          HB2   PHE   97 - HA    LYS+ 106   3.96 +/- 0.20  61.834% * 35.0820% (0.73   3.60  12.79) =  46.949%  kept
          HB3   PHE   60 - HA    LYS+ 106  11.68 +/- 0.85   0.109% *  0.2541% (0.95   0.02   0.02) =   0.001%
          HB3   TRP   27 - HA    LYS+ 106  17.02 +/- 0.57   0.011% *  0.1845% (0.69   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 106  17.44 +/- 0.64   0.009% *  0.0363% (0.14   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1312 (5.63, 1.87, 37.27 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.12, residual support = 131.1:
    * O T HA    LYS+ 106 - QB    LYS+ 106   2.40 +/- 0.10 100.000% *100.0000% (1.00   6.12 131.09) = 100.000%  kept
    Distance limit 3.45 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 = 5.24, residual support = 131.1:
    * O T HG2   LYS+ 106 - QB    LYS+ 106   2.38 +/- 0.11  99.941% * 99.2108% (1.00   5.24 131.09) = 100.000%  kept
          HB3   LYS+ 111 - QB    LYS+ 106   8.38 +/- 0.25   0.056% *  0.0584% (0.15   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+ 106  13.83 +/- 0.61   0.003% *  0.0663% (0.18   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QB    LYS+ 106  18.42 +/- 0.53   0.000% *  0.3752% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+ 106  18.56 +/- 1.23   0.001% *  0.2893% (0.76   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1316 (1.70, 1.87, 37.27 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.9, residual support = 131.1:
    * O T QD    LYS+ 106 - QB    LYS+ 106   2.27 +/- 0.13  99.889% * 97.8123% (1.00   4.90 131.09) = 100.000%  kept
        T QG1   ILE   56 - QB    LYS+ 106   8.71 +/- 0.42   0.035% *  0.1945% (0.49   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 106   9.68 +/- 0.56   0.018% *  0.3337% (0.84   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QB    LYS+ 106  11.17 +/- 0.29   0.007% *  0.3986% (1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 106  10.81 +/- 0.68   0.010% *  0.2901% (0.73   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QB    LYS+ 106   9.89 +/- 1.00   0.021% *  0.0996% (0.25   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 106  12.24 +/- 0.65   0.004% *  0.3779% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QB    LYS+ 106  11.01 +/- 0.36   0.008% *  0.1499% (0.38   0.02   0.02) =   0.000%
          HG3   PRO   93 - QB    LYS+ 106  12.16 +/- 0.25   0.004% *  0.1642% (0.41   0.02   0.02) =   0.000%
        T HB2   LEU  123 - QB    LYS+ 106  14.67 +/- 0.42   0.001% *  0.1791% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1317 (2.98, 1.87, 37.27 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.9, residual support = 131.1:
    *   T QE    LYS+ 106 - QB    LYS+ 106   2.37 +/- 0.38  98.731% * 98.9915% (1.00   4.90 131.09) =  99.996%  kept
        T HB2   PHE   97 - QB    LYS+ 106   5.26 +/- 0.11   1.257% *  0.2936% (0.73   0.02  12.79) =   0.004%
          HB3   PHE   60 - QB    LYS+ 106  12.30 +/- 0.88   0.009% *  0.3825% (0.95   0.02   0.02) =   0.000%
          HB3   TRP   27 - QB    LYS+ 106  15.92 +/- 0.59   0.002% *  0.2777% (0.69   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+ 106  16.29 +/- 0.66   0.001% *  0.0547% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 5.14, residual support = 131.1:
    * O T HA    LYS+ 106 - HG2   LYS+ 106   2.87 +/- 0.52  99.997% * 99.6793% (1.00   5.14 131.09) = 100.000%  kept
        T HA    LYS+ 106 - HG2   LYS+  33  19.26 +/- 1.38   0.002% *  0.2353% (0.61   0.02   0.02) =   0.000%
        T HA    LYS+ 106 - QG    LYS+  81  20.61 +/- 0.40   0.001% *  0.0854% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 0.684, support = 5.42, residual support = 136.4:
    * O T QB    LYS+ 106 - HG2   LYS+ 106   2.38 +/- 0.11  21.898% * 52.5734% (1.00   5.24 131.09) =  42.197%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.22 +/- 0.02  31.999% * 32.6460% (0.57   5.67 155.97) =  38.291%  kept
      O T QB    LYS+  81 - QG    LYS+  81   2.09 +/- 0.02  45.515% * 11.6941% (0.22   5.31 109.60) =  19.509%  kept
          HB    ILE  103 - HG2   LYS+ 106   5.21 +/- 0.79   0.275% *  0.1606% (0.80   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HG2   LYS+ 106   5.57 +/- 0.39   0.140% *  0.1740% (0.87   0.02  21.37) =   0.001%
          HB3   GLN   30 - HG2   LYS+  33   5.39 +/- 0.25   0.164% *  0.0500% (0.25   0.02   0.79) =   0.000%
          HB3   GLN   90 - QG    LYS+  81  10.32 +/- 0.60   0.003% *  0.0433% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.79 +/- 1.12   0.002% *  0.0738% (0.37   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  14.25 +/- 0.85   0.001% *  0.1533% (0.76   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  13.07 +/- 0.77   0.001% *  0.0558% (0.28   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  17.01 +/- 0.84   0.000% *  0.1898% (0.95   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  16.06 +/- 1.38   0.000% *  0.0930% (0.46   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  16.66 +/- 0.83   0.000% *  0.1217% (0.61   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  16.57 +/- 1.17   0.000% *  0.0825% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  19.54 +/- 1.20   0.000% *  0.1966% (0.98   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  18.56 +/- 1.23   0.000% *  0.1217% (0.61   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  13.29 +/- 2.07   0.001% *  0.0123% (0.06   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.47 +/- 1.51   0.000% *  0.0974% (0.49   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  19.13 +/- 1.60   0.000% *  0.1055% (0.53   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  20.95 +/- 0.75   0.000% *  0.2002% (1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  20.82 +/- 1.21   0.000% *  0.1533% (0.76   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  20.00 +/- 0.65   0.000% *  0.1214% (0.61   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  21.58 +/- 1.08   0.000% *  0.1676% (0.84   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  14.93 +/- 0.58   0.000% *  0.0181% (0.09   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  17.55 +/- 0.57   0.000% *  0.0418% (0.21   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  18.11 +/- 1.16   0.000% *  0.0369% (0.18   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  18.42 +/- 0.53   0.000% *  0.0441% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  18.28 +/- 0.78   0.000% *  0.0310% (0.15   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  18.64 +/- 0.53   0.000% *  0.0337% (0.17   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  23.92 +/- 1.10   0.000% *  0.0930% (0.46   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  25.57 +/- 1.05   0.000% *  0.1016% (0.51   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  27.09 +/- 0.63   0.000% *  0.1192% (0.59   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  22.41 +/- 0.66   0.000% *  0.0353% (0.18   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  23.59 +/- 1.94   0.000% *  0.0338% (0.17   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  23.93 +/- 0.47   0.000% *  0.0383% (0.19   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  24.30 +/- 1.11   0.000% *  0.0188% (0.09   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  26.43 +/- 0.92   0.000% *  0.0268% (0.13   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  28.41 +/- 0.43   0.000% *  0.0337% (0.17   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  23.63 +/- 0.46   0.000% *  0.0068% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.59 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 = 4.21, residual support = 131.1:
    * O T QD    LYS+ 106 - HG2   LYS+ 106   2.36 +/- 0.09  99.866% * 95.1039% (1.00   4.21 131.09) = 100.000%  kept
          HB2   LEU   73 - HG2   LYS+  33   9.74 +/- 0.73   0.023% *  0.2594% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+ 106  10.94 +/- 0.37   0.011% *  0.4512% (1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 106   9.62 +/- 1.31   0.039% *  0.1127% (0.25   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+ 106  10.82 +/- 0.76   0.012% *  0.2201% (0.49   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+ 106  10.44 +/- 0.62   0.015% *  0.1697% (0.38   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 106  12.33 +/- 0.75   0.006% *  0.3777% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 106  12.74 +/- 0.96   0.005% *  0.4277% (0.95   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  33  12.98 +/- 1.59   0.005% *  0.2736% (0.61   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+ 106  14.07 +/- 1.21   0.003% *  0.3283% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 106  15.04 +/- 0.93   0.002% *  0.1859% (0.41   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+  33  14.23 +/- 1.65   0.003% *  0.1029% (0.23   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG    LYS+  81  13.97 +/- 0.45   0.002% *  0.0941% (0.21   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  33  17.14 +/- 1.63   0.001% *  0.2742% (0.61   0.02   0.02) =   0.000%
          HB3   MET   92 - QG    LYS+  81  14.37 +/- 1.43   0.002% *  0.0831% (0.18   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 106  16.26 +/- 0.60   0.001% *  0.2027% (0.45   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QG    LYS+  81  17.25 +/- 0.85   0.001% *  0.0995% (0.22   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+  33  17.07 +/- 1.44   0.001% *  0.0684% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG    LYS+  81  15.86 +/- 0.58   0.001% *  0.0409% (0.09   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+  33  20.36 +/- 1.03   0.000% *  0.1335% (0.30   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG    LYS+  81  17.33 +/- 0.38   0.001% *  0.0484% (0.11   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  33  23.84 +/- 1.29   0.000% *  0.2290% (0.51   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  33  24.56 +/- 1.53   0.000% *  0.1229% (0.27   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG    LYS+  81  23.60 +/- 0.60   0.000% *  0.0993% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  33  24.90 +/- 1.16   0.000% *  0.1127% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QG    LYS+  81  24.66 +/- 0.96   0.000% *  0.0722% (0.16   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+  33  29.96 +/- 1.40   0.000% *  0.1991% (0.44   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG    LYS+  81  23.01 +/- 1.13   0.000% *  0.0248% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG    LYS+  81  25.01 +/- 0.64   0.000% *  0.0373% (0.08   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG    LYS+  81  31.01 +/- 0.43   0.000% *  0.0446% (0.10   0.02   0.02) =   0.000%
    Distance limit 2.65 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 = 4.21, residual support = 131.1:
    * O T QE    LYS+ 106 - HG2   LYS+ 106   2.48 +/- 0.29  96.024% * 97.5049% (1.00   4.21 131.09) =  99.986%  kept
          HB2   PHE   97 - HG2   LYS+ 106   4.53 +/- 0.48   3.761% *  0.3366% (0.73   0.02  12.79) =   0.014%
          HB2   ASN   35 - HG2   LYS+  33   7.62 +/- 0.46   0.158% *  0.0380% (0.08   0.02   0.50) =   0.000%
          HB3   TRP   27 - HG2   LYS+  33  10.53 +/- 0.29   0.020% *  0.1931% (0.42   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+ 106  13.89 +/- 1.15   0.005% *  0.4385% (0.95   0.02   0.02) =   0.000%
          HB3   TRP   27 - QG    LYS+  81  10.17 +/- 0.43   0.023% *  0.0701% (0.15   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+ 106  16.92 +/- 1.12   0.001% *  0.3184% (0.69   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+  33  17.52 +/- 1.09   0.001% *  0.2660% (0.57   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  33  16.88 +/- 1.55   0.001% *  0.2042% (0.44   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - HG2   LYS+  33  18.18 +/- 1.57   0.001% *  0.2811% (0.61   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  16.32 +/- 1.00   0.002% *  0.0627% (0.14   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - QG    LYS+  81  17.93 +/- 1.19   0.001% *  0.1020% (0.22   0.02   0.02) =   0.000%
          HB3   PHE   60 - QG    LYS+  81  18.40 +/- 0.33   0.001% *  0.0965% (0.21   0.02   0.02) =   0.000%
          HB2   PHE   97 - QG    LYS+  81  21.98 +/- 0.41   0.000% *  0.0741% (0.16   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  20.26 +/- 0.46   0.000% *  0.0138% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1330 (5.63, 1.70, 30.09 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.8, residual support = 131.1:
    *   T HA    LYS+ 106 - QD    LYS+ 106   3.81 +/- 0.32  99.820% * 99.6626% (0.99   4.80 131.09) =  99.999%  kept
        T HA    LYS+ 106 - QD    LYS+  99  11.12 +/- 0.30   0.180% *  0.3374% (0.81   0.02   0.02) =   0.001%
    Distance limit 5.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1331 (1.87, 1.70, 30.09 ppm):
    26 chemical-shift based assignments, quality = 0.991, support = 4.9, residual support = 131.1:
    * O T QB    LYS+ 106 - QD    LYS+ 106   2.27 +/- 0.13  97.540% * 93.8491% (0.99   4.90 131.09) =  99.992%  kept
          HB    ILE  103 - QD    LYS+ 106   4.69 +/- 0.64   1.969% *  0.3069% (0.79   0.02   0.02) =   0.007%
          HB3   LYS+  38 - QD    LYS+  99   6.52 +/- 0.75   0.242% *  0.1889% (0.49   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+ 106   6.87 +/- 0.11   0.135% *  0.3325% (0.86   0.02  21.37) =   0.000%
          HB3   ASP- 105 - QD    LYS+  99   8.14 +/- 0.38   0.049% *  0.2701% (0.70   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  99   9.68 +/- 0.19   0.017% *  0.2493% (0.64   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QD    LYS+  99  11.17 +/- 0.29   0.007% *  0.3114% (0.81   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  99  11.37 +/- 0.80   0.007% *  0.2946% (0.76   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  99  11.59 +/- 1.26   0.008% *  0.2380% (0.62   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+ 106  10.45 +/- 0.89   0.013% *  0.1066% (0.28   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+ 106  12.85 +/- 0.78   0.003% *  0.2929% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+ 106  15.22 +/- 0.89   0.001% *  0.3626% (0.94   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+ 106  16.02 +/- 0.81   0.001% *  0.3757% (0.97   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+ 106  14.48 +/- 1.18   0.002% *  0.1576% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  99  13.96 +/- 0.75   0.002% *  0.1280% (0.33   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+ 106  15.49 +/- 0.79   0.001% *  0.2325% (0.60   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+ 106  17.38 +/- 0.81   0.001% *  0.3825% (0.99   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+ 106  19.28 +/- 1.01   0.000% *  0.3202% (0.83   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+ 106  19.91 +/- 0.93   0.000% *  0.2929% (0.76   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+  99  19.41 +/- 0.48   0.000% *  0.2380% (0.62   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+ 106  17.17 +/- 0.56   0.001% *  0.0591% (0.15   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  99  24.08 +/- 0.59   0.000% *  0.3107% (0.80   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  99  24.19 +/- 0.72   0.000% *  0.2601% (0.67   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  99  20.88 +/- 0.79   0.000% *  0.0866% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  99  19.06 +/- 0.47   0.000% *  0.0480% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  99  26.39 +/- 0.43   0.000% *  0.3052% (0.79   0.02   0.02) =   0.000%
    Distance limit 2.77 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 = 4.21, residual support = 131.1:
    * O T HG2   LYS+ 106 - QD    LYS+ 106   2.36 +/- 0.09  99.964% * 97.8641% (0.99   4.21 131.09) = 100.000%  kept
        T HG2   LYS+ 106 - QD    LYS+  99  10.94 +/- 0.37   0.011% *  0.3780% (0.81   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  99  12.98 +/- 1.59   0.005% *  0.2888% (0.62   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 106  10.39 +/- 0.65   0.014% *  0.0718% (0.15   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+ 106  17.25 +/- 0.85   0.001% *  0.4612% (0.98   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+ 106  17.14 +/- 1.63   0.001% *  0.3556% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+ 106  13.83 +/- 1.15   0.003% *  0.0815% (0.17   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+  99  23.60 +/- 0.60   0.000% *  0.3746% (0.80   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  99  17.85 +/- 0.53   0.001% *  0.0662% (0.14   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  99  18.52 +/- 0.37   0.000% *  0.0583% (0.12   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 = 3.0, residual support = 131.1:
    * O T QE    LYS+ 106 - QD    LYS+ 106   2.10 +/- 0.03  99.671% * 96.5668% (0.99   3.00 131.09) =  99.998%  kept
          HB2   PHE   97 - QD    LYS+ 106   5.66 +/- 0.31   0.268% *  0.4675% (0.72   0.02  12.79) =   0.001%
          HB2   PHE   97 - QD    LYS+  99   7.57 +/- 0.32   0.047% *  0.3797% (0.58   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - QD    LYS+  99  11.42 +/- 0.47   0.004% *  0.5230% (0.81   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+ 106  12.96 +/- 0.89   0.002% *  0.6090% (0.94   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  14.30 +/- 1.11   0.001% *  0.4422% (0.68   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+  99  15.17 +/- 0.46   0.001% *  0.4947% (0.76   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  99  11.31 +/- 0.85   0.005% *  0.0708% (0.11   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  17.39 +/- 0.75   0.000% *  0.3592% (0.55   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 106  14.36 +/- 1.02   0.001% *  0.0871% (0.13   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1336 (5.63, 2.98, 42.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.8, residual support = 131.1:
    *   T HA    LYS+ 106 - QE    LYS+ 106   4.34 +/- 0.52 100.000% *100.0000% (1.00   4.80 131.09) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1337 (1.87, 2.98, 42.19 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 4.9, residual support = 131.1:
    *   T QB    LYS+ 106 - QE    LYS+ 106   2.37 +/- 0.38  92.606% * 96.6807% (1.00   4.90 131.09) =  99.974%  kept
          HB    ILE  103 - QE    LYS+ 106   4.87 +/- 1.12   7.178% *  0.3162% (0.80   0.02   0.02) =   0.025%
        T HB3   ASP- 105 - QE    LYS+ 106   7.10 +/- 0.36   0.195% *  0.3425% (0.87   0.02  21.37) =   0.001%
          HB2   MET   92 - QE    LYS+ 106  10.95 +/- 1.35   0.011% *  0.1098% (0.28   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+ 106  13.42 +/- 1.31   0.003% *  0.3018% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  33 - QE    LYS+ 106  16.14 +/- 0.82   0.001% *  0.3735% (0.95   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+ 106  16.48 +/- 1.61   0.001% *  0.3871% (0.98   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+ 106  16.15 +/- 0.94   0.002% *  0.2395% (0.61   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+ 106  15.57 +/- 1.23   0.002% *  0.1623% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+ 106  18.00 +/- 1.13   0.001% *  0.3940% (1.00   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+ 106  20.02 +/- 1.54   0.000% *  0.3298% (0.84   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+ 106  20.70 +/- 1.10   0.000% *  0.3018% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   58 - QE    LYS+ 106  17.79 +/- 1.02   0.001% *  0.0609% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1339 (1.56, 2.98, 42.19 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.21, residual support = 131.1:
    * O T HG2   LYS+ 106 - QE    LYS+ 106   2.48 +/- 0.29  99.973% * 99.0185% (1.00   4.21 131.09) = 100.000%  kept
          HB3   LYS+ 111 - QE    LYS+ 106  10.42 +/- 0.72   0.022% *  0.0726% (0.15   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QE    LYS+ 106  17.93 +/- 1.19   0.001% *  0.4666% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QE    LYS+ 106  18.18 +/- 1.57   0.001% *  0.3598% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+ 106  14.83 +/- 1.52   0.003% *  0.0824% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1340 (1.70, 2.98, 42.19 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.0, residual support = 131.1:
    * O T QD    LYS+ 106 - QE    LYS+ 106   2.10 +/- 0.03  99.936% * 96.5989% (0.99   3.00 131.09) = 100.000%  kept
          HB3   MET   92 - QE    LYS+ 106  10.35 +/- 1.28   0.010% *  0.4966% (0.76   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QE    LYS+ 106   8.77 +/- 1.30   0.028% *  0.1286% (0.20   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 106  10.45 +/- 1.13   0.009% *  0.3679% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+ 106  11.42 +/- 0.47   0.004% *  0.6483% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 106  12.30 +/- 1.06   0.003% *  0.5827% (0.90   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 106  11.00 +/- 0.63   0.005% *  0.2913% (0.45   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QE    LYS+ 106  12.71 +/- 1.12   0.003% *  0.4203% (0.65   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 106  13.47 +/- 1.40   0.002% *  0.2216% (0.34   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 106  16.56 +/- 0.56   0.000% *  0.2439% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 53.5:
    * O T HB    VAL  107 - HA    VAL  107   2.93 +/- 0.24  99.823% * 97.8083% (0.73   3.31  53.50) = 100.000%  kept
          QE    LYS+ 112 - HA    VAL  107  10.15 +/- 0.68   0.069% *  0.2510% (0.31   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    VAL  107   9.79 +/- 0.27   0.080% *  0.1101% (0.14   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    VAL  107  11.82 +/- 0.37   0.025% *  0.2510% (0.31   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    VAL  107  20.36 +/- 0.53   0.001% *  0.6215% (0.76   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    VAL  107  22.29 +/- 0.86   0.001% *  0.7972% (0.98   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    VAL  107  18.84 +/- 0.51   0.002% *  0.1609% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.67 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 = 53.5:
    * O T HA    VAL  107 - HB    VAL  107   2.93 +/- 0.24  98.343% * 98.5159% (0.73   3.31  53.50) =  99.997%  kept
          HA    ALA  110 - HB    VAL  107   6.00 +/- 0.38   1.627% *  0.1836% (0.22   0.02   0.02) =   0.003%
          HA    ALA   91 - HB    VAL  107  13.58 +/- 0.60   0.012% *  0.5740% (0.70   0.02   0.02) =   0.000%
          HA    PRO   52 - HB    VAL  107  13.37 +/- 0.95   0.013% *  0.1177% (0.14   0.02   0.02) =   0.000%
          HA    TRP   27 - HB    VAL  107  18.61 +/- 0.94   0.002% *  0.4763% (0.58   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL  107  16.99 +/- 1.09   0.003% *  0.1324% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 60.5:
    * O T HB    VAL  108 - HA    VAL  108   3.02 +/- 0.00  99.845% * 96.7353% (1.00   3.30  60.50) =  99.999%  kept
          HB2   PRO   93 - HA    VAL  108   9.19 +/- 0.65   0.140% *  0.4697% (0.80   0.02   0.02) =   0.001%
          HB    ILE  119 - HA    VAL  108  14.14 +/- 0.36   0.010% *  0.5415% (0.92   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    VAL  108  17.18 +/- 0.65   0.003% *  0.5814% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    VAL  108  21.16 +/- 0.73   0.001% *  0.5415% (0.92   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    VAL  108  22.48 +/- 0.34   0.001% *  0.5088% (0.87   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    VAL  108  22.73 +/- 0.85   0.001% *  0.3794% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    VAL  108  24.64 +/- 0.47   0.000% *  0.1631% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    VAL  108  37.04 +/- 2.60   0.000% *  0.0794% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 60.5:
    * O T QG1   VAL  108 - HA    VAL  108   2.46 +/- 0.05  99.989% * 99.3017% (1.00   3.97  60.50) = 100.000%  kept
          HB3   LEU   63 - HA    VAL  108  14.68 +/- 0.33   0.002% *  0.3238% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   40 - HA    VAL  108  13.51 +/- 0.34   0.004% *  0.1878% (0.38   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    VAL  108  13.99 +/- 0.68   0.003% *  0.0990% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   67 - HA    VAL  108  16.12 +/- 1.02   0.001% *  0.0876% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 60.5:
    * O T QG2   VAL  108 - HA    VAL  108   2.32 +/- 0.09  99.986% * 98.7625% (1.00   3.30  60.50) = 100.000%  kept
          QD1   ILE  119 - HA    VAL  108  11.70 +/- 0.31   0.006% *  0.4349% (0.73   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL  108  13.60 +/- 0.14   0.003% *  0.5779% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    VAL  108  12.13 +/- 0.54   0.005% *  0.2248% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1350 (4.56, 2.05, 32.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.3, residual support = 60.5:
    * O T HA    VAL  108 - HB    VAL  108   3.02 +/- 0.00  98.226% * 98.9038% (1.00   3.30  60.50) =  99.997%  kept
          HA1   GLY  109 - HB    VAL  108   5.91 +/- 0.12   1.766% *  0.1851% (0.31   0.02   7.42) =   0.003%
          HA    ALA   47 - HB    VAL  108  17.10 +/- 0.68   0.003% *  0.5878% (0.98   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL  108  16.28 +/- 0.63   0.004% *  0.2046% (0.34   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL  108  20.57 +/- 0.63   0.001% *  0.1187% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 60.5:
    * O T QG1   VAL  108 - HB    VAL  108   2.12 +/- 0.02  99.997% * 99.1953% (1.00   3.44  60.50) = 100.000%  kept
          HB3   LEU   63 - HB    VAL  108  15.69 +/- 0.41   0.001% *  0.3731% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   40 - HB    VAL  108  14.53 +/- 0.39   0.001% *  0.2165% (0.38   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL  108  15.73 +/- 0.45   0.001% *  0.1141% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB    VAL  108  16.76 +/- 1.26   0.000% *  0.1010% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 60.5:
    * O T QG2   VAL  108 - HB    VAL  108   2.12 +/- 0.01  99.990% * 98.6410% (1.00   3.00  60.50) = 100.000%  kept
        T QD1   ILE  119 - HB    VAL  108  11.52 +/- 0.52   0.004% *  0.4775% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL  108  11.48 +/- 1.07   0.005% *  0.2468% (0.38   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL  108  14.66 +/- 0.29   0.001% *  0.6346% (0.97   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1354 (4.56, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 60.5:
    * O T HA    VAL  108 - QG1   VAL  108   2.46 +/- 0.05  94.681% * 99.0872% (1.00   3.97  60.50) =  99.991%  kept
          HA1   GLY  109 - QG1   VAL  108   4.02 +/- 0.20   5.309% *  0.1541% (0.31   0.02   7.42) =   0.009%
          HA    ALA   47 - QG1   VAL  108  13.40 +/- 0.67   0.004% *  0.4895% (0.98   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL  108  12.74 +/- 0.49   0.005% *  0.1703% (0.34   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL  108  16.29 +/- 0.60   0.001% *  0.0988% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 60.5:
    * O T HB    VAL  108 - QG1   VAL  108   2.12 +/- 0.02  99.974% * 96.8654% (1.00   3.44  60.50) = 100.000%  kept
          HB2   PRO   93 - QG1   VAL  108   8.66 +/- 0.46   0.023% *  0.4510% (0.80   0.02   0.02) =   0.000%
          HB    ILE  119 - QG1   VAL  108  13.08 +/- 0.52   0.002% *  0.5199% (0.92   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG1   VAL  108  14.93 +/- 0.66   0.001% *  0.5582% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  108  20.02 +/- 0.64   0.000% *  0.5199% (0.92   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  108  20.84 +/- 0.41   0.000% *  0.4885% (0.87   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG1   VAL  108  21.28 +/- 0.74   0.000% *  0.3643% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG1   VAL  108  22.77 +/- 0.39   0.000% *  0.1566% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  108  33.18 +/- 2.16   0.000% *  0.0762% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 60.5:
    * O T QG2   VAL  108 - QG1   VAL  108   2.03 +/- 0.06  99.988% * 98.8128% (1.00   3.44  60.50) = 100.000%  kept
          QD1   ILE  119 - QG1   VAL  108  10.92 +/- 0.29   0.004% *  0.4172% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL  108  10.34 +/- 0.64   0.006% *  0.2156% (0.38   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL  108  13.52 +/- 0.17   0.001% *  0.5544% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 60.5:
    * O T HA    VAL  108 - QG2   VAL  108   2.32 +/- 0.09  99.589% * 98.9038% (1.00   3.30  60.50) =  99.999%  kept
          HA1   GLY  109 - QG2   VAL  108   5.82 +/- 0.08   0.407% *  0.1851% (0.31   0.02   7.42) =   0.001%
          HA    ALA   47 - QG2   VAL  108  14.64 +/- 0.71   0.002% *  0.5878% (0.98   0.02   0.02) =   0.000%
          HA    CYS   50 - QG2   VAL  108  14.59 +/- 0.46   0.002% *  0.2046% (0.34   0.02   0.02) =   0.000%
          HA    TRP   49 - QG2   VAL  108  18.05 +/- 0.57   0.000% *  0.1187% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1359 (2.05, 1.03, 20.80 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 60.5:
    * O T HB    VAL  108 - QG2   VAL  108   2.12 +/- 0.01  99.986% * 96.4222% (1.00   3.00  60.50) = 100.000%  kept
          HB2   PRO   93 - QG2   VAL  108   9.96 +/- 0.50   0.010% *  0.5147% (0.80   0.02   0.02) =   0.000%
        T HB    ILE  119 - QG2   VAL  108  12.09 +/- 0.69   0.003% *  0.5934% (0.92   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   VAL  108  16.27 +/- 0.62   0.000% *  0.6371% (0.99   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  108  18.57 +/- 0.59   0.000% *  0.5576% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  108  19.03 +/- 0.78   0.000% *  0.5934% (0.92   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  108  20.45 +/- 0.89   0.000% *  0.4158% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  108  21.57 +/- 0.38   0.000% *  0.1787% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL  108  32.26 +/- 2.20   0.000% *  0.0870% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 60.5:
    * O T QG1   VAL  108 - QG2   VAL  108   2.03 +/- 0.06  99.993% * 99.1953% (1.00   3.44  60.50) = 100.000%  kept
          QD1   LEU   40 - QG2   VAL  108  11.70 +/- 0.30   0.003% *  0.2165% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL  108  13.32 +/- 0.27   0.001% *  0.3731% (0.65   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL  108  13.19 +/- 0.60   0.001% *  0.1141% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   67 - QG2   VAL  108  13.98 +/- 1.02   0.001% *  0.1010% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1361 (1.03, 1.03, 20.80 ppm):
    1 diagonal assignment:
    *     QG2   VAL  108 - QG2   VAL  108  (1.00)  kept
 
    Peak 1362 (4.58, 4.58, 43.34 ppm):
    1 diagonal assignment:
    *     HA1   GLY  109 - HA1   GLY  109  (1.00)  kept
 
    Peak 1363 (3.67, 4.58, 43.34 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 9.35:
    * O T HA2   GLY  109 - HA1   GLY  109   1.75 +/- 0.00  99.999% * 96.7677% (1.00   2.00   9.35) = 100.000%  kept
          HA    THR  118 - HA1   GLY  109  13.26 +/- 0.27   0.001% *  0.8394% (0.87   0.02   0.02) =   0.000%
          HA    ALA   84 - HA1   GLY  109  14.01 +/- 0.39   0.000% *  0.9154% (0.95   0.02   0.02) =   0.000%
        T HB2   TRP   49 - HA1   GLY  109  14.89 +/- 0.69   0.000% *  0.7749% (0.80   0.02   0.02) =   0.000%
          HA    ILE  119 - HA1   GLY  109  14.77 +/- 0.27   0.000% *  0.7027% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1364 (4.58, 3.67, 43.34 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 9.35:
    * O T HA1   GLY  109 - HA2   GLY  109   1.75 +/- 0.00  99.625% * 96.1496% (1.00   2.00   9.35) =  99.999%  kept
          HA    VAL  108 - HA2   GLY  109   4.45 +/- 0.04   0.373% *  0.2968% (0.31   0.02   7.42) =   0.001%
        T HA    CYS   50 - HA2   GLY  109  11.50 +/- 0.57   0.001% *  0.9594% (1.00   0.02   0.02) =   0.000%
          HA    ALA   47 - HA2   GLY  109  12.85 +/- 0.77   0.001% *  0.3953% (0.41   0.02   0.02) =   0.000%
        T HA    TRP   49 - HA2   GLY  109  15.80 +/- 0.66   0.000% *  0.9279% (0.97   0.02   0.02) =   0.000%
          HA    CYS   21 - HA2   GLY  109  21.14 +/- 0.41   0.000% *  0.8031% (0.84   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HA2   GLY  109  20.51 +/- 0.41   0.000% *  0.4680% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1365 (3.67, 3.67, 43.34 ppm):
    1 diagonal assignment:
    *     HA2   GLY  109 - HA2   GLY  109  (1.00)  kept
 
    Peak 1366 (4.46, 4.46, 51.13 ppm):
    1 diagonal assignment:
    *     HA    ALA  110 - HA    ALA  110  (1.00)  kept
 
    Peak 1367 (1.42, 4.46, 51.13 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.58:
    * O T QB    ALA  110 - HA    ALA  110   2.12 +/- 0.01  99.989% * 90.3368% (1.00   1.31   9.58) = 100.000%  kept
        T QB    ALA   61 - HA    ALA  110  10.72 +/- 0.24   0.006% *  1.2765% (0.92   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA  110  14.04 +/- 1.56   0.001% *  0.7275% (0.53   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ALA  110  15.06 +/- 0.73   0.001% *  0.8387% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA  110  14.63 +/- 0.44   0.001% *  0.6731% (0.49   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA  110  18.87 +/- 1.12   0.000% *  1.3797% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA  110  18.10 +/- 0.63   0.000% *  1.1072% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA  110  18.05 +/- 0.54   0.000% *  0.9498% (0.69   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA  110  17.09 +/- 0.33   0.000% *  0.5685% (0.41   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA  110  16.07 +/- 0.41   0.001% *  0.3448% (0.25   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA  110  20.84 +/- 0.50   0.000% *  1.3706% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA  110  23.35 +/- 1.27   0.000% *  0.4268% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1368 (4.46, 1.42, 18.06 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 1.31, residual support = 9.58:
    * O T HA    ALA  110 - QB    ALA  110   2.12 +/- 0.01  99.531% * 92.4698% (1.00   1.31   9.58) =  99.995%  kept
          HA    PHE   55 - QB    ALA  110   5.68 +/- 0.62   0.349% *  1.2278% (0.87   0.02   0.47) =   0.005%
          HA    PHE   55 - QB    ALA   61   8.00 +/- 0.29   0.036% *  0.9086% (0.64   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA  110   8.12 +/- 0.18   0.032% *  0.4369% (0.31   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA  110   8.14 +/- 0.38   0.032% *  0.2801% (0.20   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA  110  11.32 +/- 0.65   0.005% *  1.3874% (0.98   0.02   0.02) =   0.000%
        T HA    ALA  110 - QB    ALA   61  10.72 +/- 0.24   0.006% *  1.0474% (0.74   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA   61  11.23 +/- 0.19   0.005% *  0.2912% (0.21   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA  110  12.88 +/- 0.30   0.002% *  0.3935% (0.28   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   61  13.38 +/- 0.20   0.002% *  0.3233% (0.23   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   61  17.48 +/- 0.38   0.000% *  1.0267% (0.73   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA   61  15.27 +/- 1.47   0.001% *  0.2073% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 313.6:
    * O T HB2   LYS+ 111 - HA    LYS+ 111   2.69 +/- 0.10  95.526% * 98.4167% (1.00   7.98 313.66) =  99.993%  kept
          QB    GLU- 114 - HA    LYS+ 111   4.55 +/- 0.29   4.459% *  0.1396% (0.57   0.02   1.93) =   0.007%
          HB    ILE  119 - HA    LYS+ 111  11.88 +/- 0.32   0.013% *  0.0549% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 111  22.83 +/- 0.82   0.000% *  0.2444% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 111  25.32 +/- 0.59   0.000% *  0.2444% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+ 111  25.14 +/- 0.62   0.000% *  0.2139% (0.87   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 111  23.01 +/- 0.34   0.000% *  0.1200% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 111  24.71 +/- 0.35   0.000% *  0.1014% (0.41   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    LYS+ 111  26.73 +/- 0.74   0.000% *  0.1200% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 111  31.53 +/- 0.52   0.000% *  0.2212% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+ 111  25.40 +/- 0.60   0.000% *  0.0549% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LYS+ 111  28.06 +/- 0.28   0.000% *  0.0686% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 313.7:
    * O T HG2   LYS+ 111 - HA    LYS+ 111   3.52 +/- 0.06  98.651% * 98.0045% (1.00   7.31 313.66) =  99.999%  kept
          HB3   PRO   93 - HA    LYS+ 111   7.55 +/- 0.74   1.199% *  0.0828% (0.31   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    LYS+ 111  12.63 +/- 0.29   0.047% *  0.1948% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+ 111  14.43 +/- 0.40   0.021% *  0.2240% (0.84   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+ 111  12.32 +/- 0.22   0.054% *  0.0414% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 111  16.58 +/- 0.64   0.009% *  0.1518% (0.57   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+ 111  18.35 +/- 0.33   0.005% *  0.1202% (0.45   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 111  17.80 +/- 0.27   0.006% *  0.0915% (0.34   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 111  19.66 +/- 1.23   0.003% *  0.1202% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+ 111  22.43 +/- 0.64   0.002% *  0.2476% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LYS+ 111  24.55 +/- 0.28   0.001% *  0.2405% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+ 111  26.80 +/- 0.55   0.001% *  0.2658% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LYS+ 111  30.43 +/- 0.80   0.000% *  0.2148% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1373 (1.22, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 313.7:
    * O T HG3   LYS+ 111 - HA    LYS+ 111   2.24 +/- 0.10  99.926% * 99.1487% (1.00   7.31 313.66) = 100.000%  kept
          HD2   LYS+ 112 - HA    LYS+ 111   7.56 +/- 0.24   0.073% *  0.1017% (0.38   0.02  26.37) =   0.000%
          HG12  ILE   89 - HA    LYS+ 111  19.31 +/- 0.53   0.000% *  0.2687% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HA    LYS+ 111  16.96 +/- 0.60   0.001% *  0.1017% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 111  24.47 +/- 0.58   0.000% *  0.1215% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+ 111  24.19 +/- 0.50   0.000% *  0.0925% (0.34   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+ 111  25.19 +/- 0.66   0.000% *  0.1115% (0.41   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+ 111  24.84 +/- 0.42   0.000% *  0.0537% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 313.7:
    *   T HD2   LYS+ 111 - HA    LYS+ 111   3.01 +/- 0.20  99.614% * 97.9786% (1.00   6.21 313.66) =  99.999%  kept
          HG3   PRO   93 - HA    LYS+ 111   8.48 +/- 0.40   0.218% *  0.2739% (0.87   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    LYS+ 111  10.41 +/- 1.84   0.140% *  0.3095% (0.98   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LYS+ 111  12.76 +/- 0.60   0.020% *  0.2293% (0.73   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 111  17.65 +/- 0.20   0.003% *  0.2832% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 111  19.64 +/- 0.24   0.001% *  0.2832% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    LYS+ 111  20.62 +/- 0.39   0.001% *  0.2169% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 111  21.88 +/- 1.10   0.001% *  0.2169% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  19.51 +/- 0.46   0.001% *  0.0487% (0.15   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  21.97 +/- 0.78   0.001% *  0.0625% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 111  27.53 +/- 1.08   0.000% *  0.0975% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1375 (1.64, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 313.7:
    *   T HD3   LYS+ 111 - HA    LYS+ 111   4.12 +/- 0.06  99.534% * 98.6169% (1.00   6.21 313.66) =  99.999%  kept
          QB    ALA   57 - HA    LYS+ 111  10.72 +/- 0.36   0.333% *  0.3171% (1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HA    LYS+ 111  15.84 +/- 0.71   0.032% *  0.2654% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 111  13.70 +/- 0.59   0.076% *  0.0884% (0.28   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+ 111  19.20 +/- 0.22   0.010% *  0.2850% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  19.51 +/- 0.46   0.009% *  0.0792% (0.25   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HA    LYS+ 111  27.09 +/- 1.27   0.001% *  0.2850% (0.90   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  21.97 +/- 0.78   0.004% *  0.0629% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1376 (3.06, 4.53, 54.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 313.7:
    *   T QE    LYS+ 111 - HA    LYS+ 111   2.77 +/- 0.21  99.987% * 99.4651% (1.00   5.62 313.66) = 100.000%  kept
          HB2   PHE   45 - HA    LYS+ 111  12.47 +/- 0.35   0.013% *  0.3346% (0.95   0.02   0.02) =   0.000%
          HB2   CYS   21 - HA    LYS+ 111  21.79 +/- 0.51   0.000% *  0.2003% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1377 (4.53, 2.02, 33.52 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 313.7:
    * O T HA    LYS+ 111 - HB2   LYS+ 111   2.69 +/- 0.10  99.984% * 99.7556% (1.00   7.98 313.66) = 100.000%  kept
          HA    PRO   52 - HB2   LYS+ 111  11.88 +/- 0.89   0.016% *  0.1617% (0.65   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG3   GLN   30  26.73 +/- 0.74   0.000% *  0.0502% (0.20   0.02   0.02) =   0.000%
          HA    PRO   52 - HG3   GLN   30  25.41 +/- 0.94   0.000% *  0.0325% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 313.7:
    * O T HG2   LYS+ 111 - HB2   LYS+ 111   2.73 +/- 0.04  99.544% * 97.5625% (1.00   7.31 313.66) = 100.000%  kept
          HB2   LEU   31 - HG3   GLN   30   7.42 +/- 0.49   0.281% *  0.0532% (0.20   0.02  51.12) =   0.000%
          HB3   PRO   93 - HB2   LYS+ 111   8.85 +/- 0.61   0.093% *  0.0823% (0.31   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+ 111  12.75 +/- 0.55   0.010% *  0.1937% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+ 111  14.09 +/- 0.64   0.005% *  0.2228% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   GLN   30  12.05 +/- 0.81   0.015% *  0.0495% (0.19   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+ 111  14.95 +/- 0.66   0.004% *  0.1510% (0.57   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+ 111  13.15 +/- 0.45   0.008% *  0.0412% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   GLN   30  14.57 +/- 1.11   0.006% *  0.0429% (0.16   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   GLN   30  13.18 +/- 1.09   0.009% *  0.0240% (0.09   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   GLN   30  14.25 +/- 0.76   0.005% *  0.0389% (0.15   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+ 111  18.44 +/- 1.42   0.001% *  0.1196% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   GLN   30  16.08 +/- 0.83   0.003% *  0.0481% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   GLN   30  16.23 +/- 0.90   0.002% *  0.0448% (0.17   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+ 111  19.02 +/- 0.51   0.001% *  0.1196% (0.45   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+ 111  18.53 +/- 0.42   0.001% *  0.0910% (0.34   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   GLN   30  14.87 +/- 0.63   0.004% *  0.0183% (0.07   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+ 111  23.04 +/- 0.83   0.000% *  0.2463% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   LYS+ 111  22.96 +/- 0.62   0.000% *  0.2393% (0.90   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLN   30  14.36 +/- 0.75   0.005% *  0.0083% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+ 111  26.25 +/- 0.83   0.000% *  0.2644% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   LYS+ 111  29.11 +/- 0.96   0.000% *  0.2136% (0.80   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLN   30  20.49 +/- 0.72   0.001% *  0.0240% (0.09   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   GLN   30  20.48 +/- 1.01   0.001% *  0.0166% (0.06   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   GLN   30  23.55 +/- 0.86   0.000% *  0.0304% (0.11   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   GLN   30  26.95 +/- 0.62   0.000% *  0.0536% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 313.7:
    * O T HG3   LYS+ 111 - HB2   LYS+ 111   3.00 +/- 0.02  91.692% * 98.9213% (1.00   7.29 313.66) =  99.999%  kept
          HG13  ILE   19 - HG3   GLN   30   5.33 +/- 1.20   6.007% *  0.0108% (0.04   0.02  13.61) =   0.001%
          HG    LEU   71 - HG3   GLN   30   6.52 +/- 1.14   1.472% *  0.0224% (0.08   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   GLN   30   7.56 +/- 1.19   0.641% *  0.0245% (0.09   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB2   LYS+ 111   8.82 +/- 0.44   0.153% *  0.1019% (0.38   0.02  26.37) =   0.000%
        T HG2   LYS+  74 - HG3   GLN   30  11.97 +/- 0.76   0.024% *  0.0205% (0.08   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 111  19.81 +/- 0.57   0.001% *  0.2691% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HB2   LYS+ 111  17.75 +/- 0.81   0.002% *  0.1019% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   GLN   30  16.01 +/- 1.53   0.005% *  0.0186% (0.07   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   GLN   30  19.77 +/- 1.09   0.001% *  0.0541% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+ 111  22.60 +/- 0.72   0.001% *  0.0926% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 111  23.85 +/- 0.79   0.000% *  0.1217% (0.45   0.02   0.02) =   0.000%
        T HG    LEU   71 - HB2   LYS+ 111  24.70 +/- 0.78   0.000% *  0.1116% (0.41   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HB2   LYS+ 111  24.93 +/- 0.72   0.000% *  0.0537% (0.20   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   GLN   30  27.05 +/- 0.70   0.000% *  0.0546% (0.20   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG3   GLN   30  27.03 +/- 1.05   0.000% *  0.0205% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1381 (1.69, 2.02, 33.52 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 313.7:
    * O T HD2   LYS+ 111 - HB2   LYS+ 111   2.17 +/- 0.31  99.861% * 97.6700% (1.00   6.61 313.66) = 100.000%  kept
          HB2   LEU   73 - HG3   GLN   30   7.29 +/- 0.71   0.095% *  0.0532% (0.18   0.02   4.91) =   0.000%
          HG3   PRO   93 - HB2   LYS+ 111  10.28 +/- 0.34   0.014% *  0.2562% (0.87   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+ 111  11.25 +/- 1.73   0.011% *  0.2895% (0.98   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB2   LYS+ 111  11.53 +/- 0.77   0.008% *  0.2144% (0.73   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+ 111  16.09 +/- 0.33   0.001% *  0.2648% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+ 111  19.55 +/- 0.56   0.000% *  0.2648% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB2   LYS+ 111  19.15 +/- 0.66   0.000% *  0.2029% (0.69   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   GLN   30  15.30 +/- 0.84   0.002% *  0.0408% (0.14   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB2   LYS+ 111  20.18 +/- 1.15   0.000% *  0.2029% (0.69   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   GLN   30  16.69 +/- 1.19   0.001% *  0.0431% (0.15   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   GLN   30  15.08 +/- 1.19   0.002% *  0.0183% (0.06   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   GLN   30  18.73 +/- 0.93   0.001% *  0.0408% (0.14   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  14.23 +/- 1.18   0.002% *  0.0117% (0.04   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  19.78 +/- 0.46   0.000% *  0.0456% (0.15   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   GLN   30  21.18 +/- 1.53   0.000% *  0.0582% (0.20   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  22.29 +/- 0.89   0.000% *  0.0584% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  16.64 +/- 1.30   0.001% *  0.0092% (0.03   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG3   GLN   30  22.00 +/- 0.92   0.000% *  0.0515% (0.17   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+ 111  26.19 +/- 1.13   0.000% *  0.0911% (0.31   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   GLN   30  25.52 +/- 0.82   0.000% *  0.0532% (0.18   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   GLN   30  28.48 +/- 1.00   0.000% *  0.0594% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 1.0, support = 6.61, residual support = 313.6:
    * O T HD3   LYS+ 111 - HB2   LYS+ 111   3.06 +/- 0.07  94.836% * 98.3854% (1.00   6.61 313.66) =  99.997%  kept
        T QD    LYS+  33 - HG3   GLN   30   5.47 +/- 0.84   5.053% *  0.0536% (0.18   0.02   0.79) =   0.003%
          QB    ALA   57 - HB2   LYS+ 111  11.99 +/- 0.29   0.027% *  0.2968% (1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB2   LYS+ 111  11.74 +/- 0.76   0.032% *  0.0827% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   GLN   30  12.44 +/- 0.71   0.023% *  0.0499% (0.17   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   LYS+ 111  16.53 +/- 0.94   0.004% *  0.2485% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+ 111  17.72 +/- 0.33   0.003% *  0.2668% (0.90   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   GLN   30  16.18 +/- 0.75   0.005% *  0.0597% (0.20   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  14.23 +/- 1.18   0.011% *  0.0118% (0.04   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  19.78 +/- 0.46   0.001% *  0.0742% (0.25   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  16.64 +/- 1.30   0.004% *  0.0149% (0.05   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LYS+ 111  26.66 +/- 1.32   0.000% *  0.2668% (0.90   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  22.29 +/- 0.89   0.001% *  0.0589% (0.20   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   GLN   30  25.98 +/- 0.87   0.000% *  0.0536% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   GLN   30  22.81 +/- 0.86   0.001% *  0.0166% (0.06   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   GLN   30  28.88 +/- 0.81   0.000% *  0.0598% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1383 (3.06, 2.02, 33.52 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 313.7:
    *   T QE    LYS+ 111 - HB2   LYS+ 111   3.58 +/- 0.40  96.910% * 99.3381% (1.00   6.05 313.66) =  99.999%  kept
          HB2   CYS   21 - HG3   GLN   30   6.74 +/- 0.76   3.022% *  0.0373% (0.11   0.02   0.02) =   0.001%
          HB2   PHE   45 - HB2   LYS+ 111  12.86 +/- 0.62   0.053% *  0.3104% (0.95   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   GLN   30  16.34 +/- 0.69   0.012% *  0.0624% (0.19   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB2   LYS+ 111  22.10 +/- 0.72   0.002% *  0.1858% (0.57   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG3   GLN   30  25.96 +/- 0.75   0.001% *  0.0660% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.00 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 = 313.7:
    * O T HA    LYS+ 111 - HG2   LYS+ 111   3.52 +/- 0.06  99.930% * 99.8233% (1.00   7.31 313.66) = 100.000%  kept
          HA    PRO   52 - HG2   LYS+ 111  12.15 +/- 1.00   0.070% *  0.1767% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1385 (2.02, 1.33, 24.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 313.5:
    * O T HB2   LYS+ 111 - HG2   LYS+ 111   2.73 +/- 0.04  78.928% * 98.2745% (1.00   7.31 313.66) =  99.959%  kept
          QB    GLU- 114 - HG2   LYS+ 111   3.54 +/- 0.55  21.065% *  0.1521% (0.57   0.02   1.93) =   0.041%
          HB    ILE  119 - HG2   LYS+ 111  13.14 +/- 0.38   0.006% *  0.0598% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+ 111  24.48 +/- 0.73   0.000% *  0.2664% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+ 111  26.35 +/- 0.60   0.000% *  0.2664% (0.99   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   LYS+ 111  23.68 +/- 0.32   0.000% *  0.1308% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+ 111  26.40 +/- 0.53   0.000% *  0.2331% (0.87   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+ 111  25.92 +/- 0.51   0.000% *  0.1105% (0.41   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   LYS+ 111  26.95 +/- 0.62   0.000% *  0.1308% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+ 111  31.39 +/- 0.63   0.000% *  0.2410% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+ 111  25.46 +/- 0.65   0.000% *  0.0598% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+ 111  26.70 +/- 0.41   0.000% *  0.0747% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 313.7:
    * O T HG3   LYS+ 111 - HG2   LYS+ 111   1.75 +/- 0.00  99.998% * 99.1085% (1.00   6.98 313.66) = 100.000%  kept
          HD2   LYS+ 112 - HG2   LYS+ 111  10.88 +/- 0.30   0.002% *  0.1065% (0.38   0.02  26.37) =   0.000%
        T HG12  ILE   89 - HG2   LYS+ 111  18.19 +/- 0.74   0.000% *  0.2814% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+ 111  18.01 +/- 0.58   0.000% *  0.1065% (0.38   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+ 111  23.34 +/- 0.50   0.000% *  0.0968% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 111  24.65 +/- 0.65   0.000% *  0.1273% (0.45   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+ 111  25.47 +/- 0.60   0.000% *  0.1167% (0.41   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+ 111  25.66 +/- 0.48   0.000% *  0.0562% (0.20   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 = 313.7:
    * O T HD2   LYS+ 111 - HG2   LYS+ 111   2.90 +/- 0.06  99.758% * 97.9786% (1.00   6.21 313.66) =  99.999%  kept
          HB3   MET   92 - HG2   LYS+ 111   9.84 +/- 1.47   0.124% *  0.3095% (0.98   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 111   9.78 +/- 0.66   0.074% *  0.2739% (0.87   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+ 111  10.95 +/- 0.68   0.038% *  0.2293% (0.73   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 111  18.26 +/- 0.35   0.002% *  0.2832% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 111  19.78 +/- 0.46   0.001% *  0.2832% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+ 111  19.99 +/- 1.10   0.001% *  0.2169% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+ 111  19.98 +/- 0.44   0.001% *  0.2169% (0.69   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  21.24 +/- 1.01   0.001% *  0.0625% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  21.45 +/- 0.41   0.001% *  0.0487% (0.15   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+ 111  26.61 +/- 0.87   0.000% *  0.0975% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1389 (1.64, 1.33, 24.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.21, residual support = 313.7:
    * O T HD3   LYS+ 111 - HG2   LYS+ 111   2.27 +/- 0.01  99.993% * 98.6169% (1.00   6.21 313.66) = 100.000%  kept
          QB    ALA   57 - HG2   LYS+ 111  12.87 +/- 0.40   0.003% *  0.3171% (1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 111  13.37 +/- 0.68   0.003% *  0.0884% (0.28   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+ 111  16.99 +/- 0.80   0.001% *  0.2655% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+ 111  19.92 +/- 0.35   0.000% *  0.2850% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  21.45 +/- 0.41   0.000% *  0.0792% (0.25   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+ 111  27.12 +/- 1.23   0.000% *  0.2850% (0.90   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  21.24 +/- 1.01   0.000% *  0.0629% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 313.7:
    * O T QE    LYS+ 111 - HG2   LYS+ 111   3.00 +/- 0.07  99.976% * 99.4651% (1.00   5.62 313.66) = 100.000%  kept
          HB2   PHE   45 - HG2   LYS+ 111  12.20 +/- 0.43   0.023% *  0.3346% (0.95   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG2   LYS+ 111  22.07 +/- 0.50   0.001% *  0.2003% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 313.7:
    * O T HA    LYS+ 111 - HG3   LYS+ 111   2.24 +/- 0.10  99.986% * 99.7755% (1.00   7.31 313.66) = 100.000%  kept
          HA    PRO   52 - HG3   LYS+ 111  10.56 +/- 0.99   0.012% *  0.1765% (0.65   0.02   0.02) =   0.000%
          HA    PRO   52 - HG2   LYS+  74  13.73 +/- 0.41   0.002% *  0.0189% (0.07   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG2   LYS+  74  16.96 +/- 0.60   0.001% *  0.0292% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1392 (2.02, 1.22, 24.92 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 7.28, residual support = 313.6:
    * O T HB2   LYS+ 111 - HG3   LYS+ 111   3.00 +/- 0.02  89.910% * 98.0582% (1.00   7.29 313.66) =  99.983%  kept
          QB    GLU- 114 - HG3   LYS+ 111   4.46 +/- 0.47   9.771% *  0.1524% (0.57   0.02   1.93) =   0.017%
        T HB    ILE   19 - HG2   LYS+  74   8.64 +/- 0.42   0.169% *  0.0140% (0.05   0.02   8.15) =   0.000%
          HB2   GLN   17 - HG2   LYS+  74  10.24 +/- 0.70   0.064% *  0.0285% (0.11   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   LYS+ 111  13.33 +/- 0.35   0.012% *  0.0599% (0.22   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   LYS+  74  11.97 +/- 0.76   0.024% *  0.0140% (0.05   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+  74  14.90 +/- 0.74   0.006% *  0.0285% (0.11   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+  74  11.72 +/- 0.53   0.026% *  0.0064% (0.02   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+  74  16.30 +/- 0.57   0.004% *  0.0258% (0.10   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   LYS+ 111  24.06 +/- 0.73   0.000% *  0.2668% (0.99   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   LYS+  74  17.75 +/- 0.81   0.002% *  0.0288% (0.11   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+  74  17.75 +/- 1.59   0.003% *  0.0250% (0.09   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   LYS+  74  16.56 +/- 0.80   0.003% *  0.0163% (0.06   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   LYS+ 111  26.30 +/- 0.61   0.000% *  0.2668% (0.99   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG3   LYS+ 111  23.64 +/- 0.32   0.000% *  0.1310% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   LYS+ 111  26.44 +/- 0.54   0.000% *  0.2335% (0.87   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   LYS+ 111  26.02 +/- 0.39   0.000% *  0.1107% (0.41   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   LYS+ 111  27.05 +/- 0.70   0.000% *  0.1310% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+  74  18.71 +/- 1.05   0.002% *  0.0118% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   LYS+ 111  31.41 +/- 0.62   0.000% *  0.2414% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   LYS+ 111  25.68 +/- 0.68   0.000% *  0.0599% (0.22   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+  74  18.00 +/- 1.04   0.002% *  0.0064% (0.02   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   LYS+ 111  27.83 +/- 0.32   0.000% *  0.0748% (0.28   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+  74  23.51 +/- 0.75   0.000% *  0.0080% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 313.7:
    * O T HG2   LYS+ 111 - HG3   LYS+ 111   1.75 +/- 0.00  99.828% * 97.6662% (1.00   6.98 313.66) = 100.000%  kept
          HB3   ASP-  44 - HG2   LYS+  74   6.28 +/- 0.84   0.104% *  0.0217% (0.08   0.02   6.00) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 111   7.93 +/- 0.92   0.014% *  0.0863% (0.31   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   LYS+  74   6.72 +/- 0.62   0.036% *  0.0046% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG2   LYS+  74   9.18 +/- 0.76   0.005% *  0.0276% (0.10   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 111  13.25 +/- 0.41   0.001% *  0.2032% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG2   LYS+  74  11.03 +/- 1.22   0.002% *  0.0250% (0.09   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+ 111  15.66 +/- 0.39   0.000% *  0.2337% (0.84   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+ 111  12.01 +/- 0.41   0.001% *  0.0432% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+  74   9.90 +/- 0.93   0.004% *  0.0092% (0.03   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+  74  10.28 +/- 0.65   0.003% *  0.0102% (0.04   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 111  17.25 +/- 0.69   0.000% *  0.1584% (0.57   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+ 111  17.30 +/- 0.48   0.000% *  0.1254% (0.45   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 111  17.26 +/- 0.49   0.000% *  0.0954% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG2   LYS+  74  15.04 +/- 0.32   0.000% *  0.0296% (0.11   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 111  19.43 +/- 1.15   0.000% *  0.1254% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+ 111  22.17 +/- 0.81   0.000% *  0.2583% (0.92   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+  74  14.39 +/- 1.49   0.000% *  0.0134% (0.05   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   LYS+ 111  24.64 +/- 0.27   0.000% *  0.2509% (0.90   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   LYS+  74  15.46 +/- 0.59   0.000% *  0.0134% (0.05   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG2   LYS+  74  18.01 +/- 0.58   0.000% *  0.0299% (0.11   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+ 111  26.57 +/- 0.64   0.000% *  0.2773% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG2   LYS+  74  20.05 +/- 1.05   0.000% *  0.0268% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   LYS+ 111  30.42 +/- 0.71   0.000% *  0.2240% (0.80   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG2   LYS+  74  22.47 +/- 1.24   0.000% *  0.0239% (0.09   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+  74  21.34 +/- 0.94   0.000% *  0.0169% (0.06   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 = 313.7:
    * O T HD2   LYS+ 111 - HG3   LYS+ 111   2.83 +/- 0.12  98.983% * 97.4042% (1.00   5.40 313.66) =  99.999%  kept
          HB3   MET   92 - HG3   LYS+ 111   9.54 +/- 1.71   0.181% *  0.3537% (0.98   0.02   0.02) =   0.001%
          HG3   PRO   93 - HG3   LYS+ 111   8.69 +/- 0.73   0.135% *  0.3130% (0.87   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+  74   6.84 +/- 0.46   0.578% *  0.0346% (0.10   0.02  45.45) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+ 111  11.96 +/- 0.62   0.019% *  0.2620% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  74  10.86 +/- 0.79   0.037% *  0.0335% (0.09   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  74  12.03 +/- 0.76   0.019% *  0.0378% (0.10   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 111  18.80 +/- 0.30   0.001% *  0.3236% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+ 111  19.89 +/- 0.44   0.001% *  0.3236% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  74  13.58 +/- 1.02   0.009% *  0.0280% (0.08   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  11.81 +/- 0.73   0.021% *  0.0076% (0.02   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG3   LYS+ 111  20.83 +/- 0.36   0.001% *  0.2479% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+ 111  21.21 +/- 1.10   0.001% *  0.2479% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  13.65 +/- 0.92   0.009% *  0.0060% (0.02   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  74  17.70 +/- 0.92   0.002% *  0.0265% (0.07   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  74  19.27 +/- 0.95   0.001% *  0.0386% (0.11   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.31 +/- 0.99   0.001% *  0.0714% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  21.03 +/- 0.44   0.001% *  0.0557% (0.15   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  74  20.79 +/- 1.11   0.001% *  0.0265% (0.07   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  74  22.10 +/- 1.11   0.000% *  0.0346% (0.10   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  27.48 +/- 0.92   0.000% *  0.1114% (0.31   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  21.53 +/- 1.56   0.001% *  0.0119% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 0.881, support = 5.42, residual support = 295.5:
    * O T HD3   LYS+ 111 - HG3   LYS+ 111   2.92 +/- 0.02  37.691% * 90.1245% (1.00   5.40 313.66) =  86.880%  kept
      O T HD2   LYS+  74 - HG2   LYS+  74   2.68 +/- 0.22  62.092% *  8.2612% (0.09   5.54 175.61) =  13.119%  kept
          QB    ALA   57 - HG2   LYS+  74   7.20 +/- 0.38   0.187% *  0.0356% (0.11   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  11.97 +/- 0.45   0.008% *  0.3332% (1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  16.55 +/- 0.79   0.001% *  0.2789% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  14.27 +/- 0.62   0.003% *  0.0928% (0.28   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  20.42 +/- 0.30   0.000% *  0.2995% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  15.28 +/- 1.11   0.002% *  0.0320% (0.10   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  11.81 +/- 0.73   0.009% *  0.0071% (0.02   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  13.65 +/- 0.92   0.004% *  0.0089% (0.03   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  21.03 +/- 0.44   0.000% *  0.0833% (0.25   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  27.40 +/- 1.23   0.000% *  0.2995% (0.90   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.31 +/- 0.99   0.000% *  0.0661% (0.20   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  19.90 +/- 0.78   0.000% *  0.0357% (0.11   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.80 +/- 1.08   0.001% *  0.0099% (0.03   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  23.01 +/- 1.15   0.000% *  0.0320% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 313.7:
    * O T QE    LYS+ 111 - HG3   LYS+ 111   2.04 +/- 0.15  99.850% * 99.3499% (1.00   5.44 313.66) = 100.000%  kept
          HB2   CYS   21 - HG2   LYS+  74   6.47 +/- 0.47   0.113% *  0.0221% (0.06   0.02  10.03) =   0.000%
          HB2   PHE   45 - HG2   LYS+  74   7.96 +/- 0.39   0.034% *  0.0369% (0.10   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   LYS+ 111  12.13 +/- 0.50   0.003% *  0.3454% (0.95   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG3   LYS+ 111  21.98 +/- 0.56   0.000% *  0.2067% (0.57   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG2   LYS+  74  17.25 +/- 0.69   0.000% *  0.0390% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 313.7:
    *   T HA    LYS+ 111 - HD2   LYS+ 111   3.01 +/- 0.20  99.959% * 99.5337% (1.00   6.21 313.66) = 100.000%  kept
          HA    PRO   52 - HD2   LYS+ 111  12.09 +/- 0.99   0.036% *  0.2075% (0.65   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  17.98 +/- 0.44   0.002% *  0.0318% (0.10   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  19.51 +/- 0.46   0.001% *  0.0491% (0.15   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+ 102  21.88 +/- 1.10   0.001% *  0.0839% (0.26   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+ 102  26.91 +/- 0.86   0.000% *  0.0542% (0.17   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  38  27.53 +/- 1.08   0.000% *  0.0241% (0.08   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  38  30.67 +/- 1.46   0.000% *  0.0156% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1399 (2.02, 1.69, 29.56 ppm):
    48 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 313.6:
    * O T HB2   LYS+ 111 - HD2   LYS+ 111   2.17 +/- 0.31  77.891% * 97.0492% (1.00   6.61 313.66) =  99.979%  kept
          QB    GLU- 114 - HD2   LYS+ 111   3.52 +/- 0.88   9.095% *  0.1661% (0.57   0.02   1.93) =   0.020%
          HB3   GLU- 100 - QD    LYS+  38   4.09 +/- 2.00  12.436% *  0.0061% (0.02   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD    LYS+  65   7.01 +/- 1.90   0.187% *  0.0390% (0.13   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  65   6.96 +/- 0.89   0.127% *  0.0446% (0.15   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+ 102   6.89 +/- 0.73   0.106% *  0.0213% (0.07   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   7.47 +/- 2.07   0.112% *  0.0185% (0.06   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65   8.78 +/- 1.05   0.023% *  0.0446% (0.15   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   LYS+ 111  12.40 +/- 0.75   0.002% *  0.0653% (0.22   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  38  15.17 +/- 2.26   0.003% *  0.0219% (0.07   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  12.48 +/- 0.75   0.003% *  0.0219% (0.07   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  38  17.17 +/- 2.39   0.002% *  0.0192% (0.07   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+ 102  16.25 +/- 1.00   0.001% *  0.0434% (0.15   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  13.07 +/- 0.68   0.002% *  0.0100% (0.03   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+ 102  20.46 +/- 1.43   0.000% *  0.0760% (0.26   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  38  16.07 +/- 1.67   0.001% *  0.0108% (0.04   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  38  15.08 +/- 1.19   0.001% *  0.0108% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD2   LYS+ 111  25.05 +/- 1.08   0.000% *  0.2908% (0.99   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+ 102  20.18 +/- 1.15   0.000% *  0.0767% (0.26   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  38  17.20 +/- 2.75   0.001% *  0.0091% (0.03   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  16.64 +/- 1.30   0.000% *  0.0219% (0.07   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  38  13.45 +/- 1.01   0.002% *  0.0049% (0.02   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+ 102  18.73 +/- 0.93   0.000% *  0.0373% (0.13   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+ 102  16.79 +/- 0.92   0.001% *  0.0171% (0.06   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+ 102  18.89 +/- 0.72   0.000% *  0.0373% (0.13   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  17.75 +/- 0.59   0.000% *  0.0254% (0.09   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD2   LYS+ 111  26.91 +/- 0.71   0.000% *  0.2908% (0.99   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  19.78 +/- 0.46   0.000% *  0.0450% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   LYS+ 111  26.61 +/- 0.85   0.000% *  0.2545% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  38  20.64 +/- 2.19   0.000% *  0.0219% (0.07   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+ 102  21.70 +/- 0.97   0.000% *  0.0665% (0.23   0.02   0.02) =   0.000%
          HB    ILE   19 - HD2   LYS+ 111  24.92 +/- 0.79   0.000% *  0.1428% (0.49   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  16.25 +/- 0.78   0.001% *  0.0100% (0.03   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+ 102  22.98 +/- 1.22   0.000% *  0.0688% (0.23   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+ 102  23.64 +/- 0.85   0.000% *  0.0760% (0.26   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD2   LYS+ 111  26.03 +/- 0.74   0.000% *  0.1206% (0.41   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+ 102  21.36 +/- 1.85   0.000% *  0.0315% (0.11   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+ 102  19.59 +/- 1.20   0.000% *  0.0171% (0.06   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   LYS+ 111  28.48 +/- 1.00   0.000% *  0.1428% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  38  20.78 +/- 0.77   0.000% *  0.0198% (0.07   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD2   LYS+ 111  33.32 +/- 1.06   0.000% *  0.2632% (0.90   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  24.24 +/- 0.84   0.000% *  0.0403% (0.14   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   LYS+ 111  27.01 +/- 0.90   0.000% *  0.0653% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   LYS+ 111  28.17 +/- 0.77   0.000% *  0.0816% (0.28   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  38  21.87 +/- 0.99   0.000% *  0.0125% (0.04   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  23.15 +/- 0.46   0.000% *  0.0125% (0.04   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  38  26.19 +/- 1.13   0.000% *  0.0221% (0.08   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  38  22.28 +/- 1.52   0.000% *  0.0049% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 1 structures by 0.02 A, kept.
 
    Peak 1400 (1.33, 1.69, 29.56 ppm):
    52 chemical-shift based assignments, quality = 0.853, support = 6.14, residual support = 298.2:
    * O T HG2   LYS+ 111 - HD2   LYS+ 111   2.90 +/- 0.06  23.040% * 91.4945% (1.00   6.21 313.66) =  84.347%  kept
      O T HG2   LYS+  38 - QD    LYS+  38   2.37 +/- 0.13  76.550% *  5.1105% (0.06   5.75 215.13) =  15.653%  kept
        T HG2   LYS+  99 - QD    LYS+  38   6.49 +/- 0.67   0.222% *  0.0199% (0.07   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+ 102   8.76 +/- 0.41   0.032% *  0.0691% (0.23   0.02   1.32) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   8.39 +/- 1.05   0.062% *  0.0346% (0.12   0.02   1.65) =   0.000%
        T HB3   PRO   93 - HD2   LYS+ 111   9.96 +/- 0.74   0.016% *  0.0910% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.74 +/- 0.20   0.031% *  0.0377% (0.13   0.02   1.19) =   0.000%
        T HG2   LYS+  38 - QD    LYS+ 102  11.30 +/- 1.58   0.008% *  0.0617% (0.21   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  14.58 +/- 0.66   0.002% *  0.2141% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  16.04 +/- 0.73   0.001% *  0.2463% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 102  14.02 +/- 1.21   0.002% *  0.0764% (0.26   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  16.11 +/- 0.95   0.001% *  0.1669% (0.57   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  10.95 +/- 1.23   0.011% *  0.0099% (0.03   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.80 +/- 0.35   0.003% *  0.0328% (0.11   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  13.94 +/- 0.79   0.002% *  0.0455% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.21 +/- 0.50   0.004% *  0.0220% (0.07   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  15.17 +/- 1.53   0.001% *  0.0436% (0.15   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  19.27 +/- 0.91   0.000% *  0.1322% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 102  17.21 +/- 0.93   0.001% *  0.0560% (0.19   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.30 +/- 1.50   0.000% *  0.1322% (0.45   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.20 +/- 0.62   0.001% *  0.0256% (0.09   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  19.23 +/- 0.81   0.000% *  0.1006% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 102  18.12 +/- 0.82   0.000% *  0.0644% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  24.32 +/- 1.02   0.000% *  0.2722% (0.92   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+ 102  19.99 +/- 1.10   0.000% *  0.0771% (0.26   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  24.90 +/- 0.77   0.000% *  0.2644% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  18.64 +/- 1.87   0.001% *  0.0185% (0.06   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 102  20.85 +/- 1.21   0.000% *  0.0712% (0.24   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  18.76 +/- 0.54   0.000% *  0.0405% (0.14   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  28.01 +/- 0.99   0.000% *  0.2922% (0.99   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  18.93 +/- 0.95   0.000% *  0.0263% (0.09   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  17.09 +/- 1.42   0.001% *  0.0126% (0.04   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  16.98 +/- 0.58   0.001% *  0.0139% (0.05   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 102  20.19 +/- 1.15   0.000% *  0.0346% (0.12   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.44 +/- 0.96   0.000% *  0.0202% (0.07   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.99 +/- 1.84   0.000% *  0.0362% (0.12   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 102  17.19 +/- 0.93   0.001% *  0.0119% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  21.25 +/- 0.67   0.000% *  0.0448% (0.15   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  21.45 +/- 0.41   0.000% *  0.0452% (0.15   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.31 +/- 1.47   0.000% *  0.0161% (0.05   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  21.22 +/- 0.57   0.000% *  0.0417% (0.14   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.65 +/- 1.03   0.000% *  0.0238% (0.08   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  16.70 +/- 0.33   0.001% *  0.0070% (0.02   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  31.04 +/- 1.03   0.000% *  0.2361% (0.80   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  20.52 +/- 0.40   0.000% *  0.0154% (0.05   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  22.15 +/- 0.78   0.000% *  0.0205% (0.07   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  24.80 +/- 0.31   0.000% *  0.0202% (0.07   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  38  21.62 +/- 0.64   0.000% *  0.0076% (0.03   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  26.61 +/- 0.87   0.000% *  0.0222% (0.08   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  20.28 +/- 0.88   0.000% *  0.0034% (0.01   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  24.66 +/- 0.75   0.000% *  0.0099% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  38  24.90 +/- 1.19   0.000% *  0.0068% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.69 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 = 313.7:
    * O T HG3   LYS+ 111 - HD2   LYS+ 111   2.83 +/- 0.12  97.320% * 98.1211% (1.00   5.40 313.66) = 100.000%  kept
          HB3   LEU   71 - QD    LYS+  38  11.04 +/- 1.94   1.831% *  0.0123% (0.03   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HD2   LYS+ 111   9.41 +/- 0.64   0.083% *  0.1364% (0.38   0.02  26.37) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  38   7.05 +/- 0.73   0.514% *  0.0093% (0.03   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+ 102   8.88 +/- 0.57   0.116% *  0.0324% (0.09   0.02   1.32) =   0.000%
          HG    LEU   71 - QD    LYS+  38  11.90 +/- 1.71   0.071% *  0.0112% (0.03   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+ 111  20.52 +/- 1.04   0.001% *  0.3603% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  13.60 +/- 0.75   0.008% *  0.0250% (0.07   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.62 +/- 0.88   0.009% *  0.0229% (0.06   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  13.65 +/- 0.92   0.009% *  0.0209% (0.06   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  12.19 +/- 0.86   0.017% *  0.0110% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+ 102  15.48 +/- 0.56   0.004% *  0.0426% (0.12   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  19.27 +/- 0.95   0.001% *  0.1364% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 102  16.57 +/- 0.61   0.003% *  0.0391% (0.11   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.24 +/- 0.66   0.004% *  0.0209% (0.06   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+ 102  20.12 +/- 1.24   0.001% *  0.0942% (0.26   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 102  21.21 +/- 1.10   0.001% *  0.0950% (0.26   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  21.03 +/- 0.44   0.001% *  0.0557% (0.15   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  24.54 +/- 0.84   0.000% *  0.1240% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD2   LYS+ 111  25.85 +/- 0.93   0.000% *  0.1630% (0.45   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.50 +/- 0.97   0.001% *  0.0190% (0.05   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 102  20.79 +/- 1.11   0.001% *  0.0357% (0.10   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.72 +/- 0.86   0.000% *  0.1495% (0.41   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  16.69 +/- 1.77   0.004% *  0.0054% (0.01   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 102  20.44 +/- 1.08   0.001% *  0.0188% (0.05   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  26.81 +/- 0.82   0.000% *  0.0719% (0.20   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  25.76 +/- 0.42   0.000% *  0.0552% (0.15   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+ 102  25.37 +/- 1.06   0.000% *  0.0357% (0.10   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.53 +/- 1.56   0.001% *  0.0103% (0.03   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  25.02 +/- 0.93   0.000% *  0.0271% (0.07   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  27.48 +/- 0.92   0.000% *  0.0274% (0.08   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  38  28.89 +/- 1.60   0.000% *  0.0103% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.73 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 = 313.7:
    * O T QE    LYS+ 111 - HD2   LYS+ 111   2.24 +/- 0.07  99.995% * 98.9094% (1.00   4.97 313.66) = 100.000%  kept
          HB2   PHE   45 - HD2   LYS+ 111  14.19 +/- 0.93   0.002% *  0.3762% (0.95   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+ 102  17.38 +/- 1.02   0.001% *  0.0983% (0.25   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  16.51 +/- 0.81   0.001% *  0.0345% (0.09   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  18.31 +/- 0.39   0.000% *  0.0576% (0.14   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+ 102  20.41 +/- 0.97   0.000% *  0.1040% (0.26   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+ 102  18.84 +/- 0.94   0.000% *  0.0589% (0.15   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD2   LYS+ 111  23.74 +/- 0.93   0.000% *  0.2251% (0.57   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  19.68 +/- 0.42   0.000% *  0.0609% (0.15   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  38  18.32 +/- 1.08   0.000% *  0.0169% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  38  21.50 +/- 0.96   0.000% *  0.0283% (0.07   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  38  26.09 +/- 0.92   0.000% *  0.0299% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 313.7:
    *   T HA    LYS+ 111 - HD3   LYS+ 111   4.12 +/- 0.06  99.862% * 99.1911% (1.00   6.21 313.66) = 100.000%  kept
          HA    PRO   52 - HD3   LYS+ 111  13.09 +/- 0.98   0.112% *  0.2068% (0.65   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  17.98 +/- 0.44   0.015% *  0.0512% (0.16   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  19.51 +/- 0.46   0.009% *  0.0791% (0.25   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  33  27.09 +/- 1.27   0.001% *  0.2864% (0.90   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  33  26.90 +/- 1.27   0.001% *  0.1853% (0.58   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1406 (2.02, 1.64, 29.56 ppm):
    36 chemical-shift based assignments, quality = 0.999, support = 6.61, residual support = 313.4:
    * O T HB2   LYS+ 111 - HD3   LYS+ 111   3.06 +/- 0.07  63.316% * 95.6870% (1.00   6.61 313.66) =  99.911%  kept
          QB    GLU- 114 - HD3   LYS+ 111   3.76 +/- 0.84  27.673% *  0.1638% (0.57   0.02   1.93) =   0.075%
        T HG3   GLN   30 - QD    LYS+  33   5.47 +/- 0.84   3.504% *  0.1262% (0.44   0.02   0.79) =   0.007%
          HB2   GLN   30 - QD    LYS+  33   5.34 +/- 0.66   2.765% *  0.0577% (0.20   0.02   0.79) =   0.003%
          QB    GLU-  15 - QD    LYS+  33   8.84 +/- 1.75   0.242% *  0.2570% (0.89   0.02   0.02) =   0.001%
          HB3   PRO   68 - QD    LYS+  65   7.01 +/- 1.90   0.844% *  0.0621% (0.21   0.02   0.02) =   0.001%
          HB2   GLN   17 - QD    LYS+  65   6.96 +/- 0.89   0.586% *  0.0710% (0.25   0.02   0.02) =   0.001%
          HB    ILE   19 - QD    LYS+  33   8.02 +/- 1.25   0.292% *  0.1262% (0.44   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD    LYS+  65   7.47 +/- 2.07   0.537% *  0.0294% (0.10   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65   8.78 +/- 1.05   0.140% *  0.0710% (0.25   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  33  11.96 +/- 1.07   0.022% *  0.2325% (0.80   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  33  13.03 +/- 1.50   0.013% *  0.2570% (0.89   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  33  13.99 +/- 1.84   0.009% *  0.2249% (0.78   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  33  15.16 +/- 1.84   0.005% *  0.1066% (0.37   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  33  13.92 +/- 0.76   0.008% *  0.0721% (0.25   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   LYS+ 111  13.51 +/- 0.51   0.008% *  0.0644% (0.22   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  12.48 +/- 0.75   0.014% *  0.0349% (0.12   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  13.07 +/- 0.68   0.011% *  0.0159% (0.06   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  16.64 +/- 1.30   0.003% *  0.0349% (0.12   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  17.75 +/- 0.59   0.002% *  0.0406% (0.14   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  19.78 +/- 0.46   0.001% *  0.0716% (0.25   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  33  23.19 +/- 1.23   0.000% *  0.1468% (0.51   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   LYS+ 111  26.06 +/- 0.91   0.000% *  0.2868% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  16.25 +/- 0.78   0.003% *  0.0159% (0.06   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  33  26.66 +/- 1.32   0.000% *  0.2593% (0.90   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   LYS+ 111  27.70 +/- 0.60   0.000% *  0.2868% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   LYS+ 111  27.60 +/- 0.72   0.000% *  0.2510% (0.87   0.02   0.02) =   0.000%
          HB    ILE   19 - HD3   LYS+ 111  25.52 +/- 0.60   0.000% *  0.1408% (0.49   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  33  23.04 +/- 1.47   0.000% *  0.0577% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  24.24 +/- 0.84   0.000% *  0.0642% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD3   LYS+ 111  27.02 +/- 0.64   0.000% *  0.1189% (0.41   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   LYS+ 111  28.88 +/- 0.81   0.000% *  0.1408% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   LYS+ 111  33.44 +/- 0.88   0.000% *  0.2595% (0.90   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   LYS+ 111  28.04 +/- 0.69   0.000% *  0.0804% (0.28   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   LYS+ 111  27.37 +/- 0.78   0.000% *  0.0644% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  23.15 +/- 0.46   0.000% *  0.0199% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.63 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 = 313.7:
    * O T HG2   LYS+ 111 - HD3   LYS+ 111   2.27 +/- 0.01  99.848% * 94.7792% (1.00   6.21 313.66) = 100.000%  kept
          HB2   LEU   31 - QD    LYS+  33   7.90 +/- 0.67   0.067% *  0.2713% (0.89   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+  33   9.75 +/- 0.55   0.017% *  0.2192% (0.72   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.74 +/- 0.20   0.031% *  0.0632% (0.21   0.02   1.19) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  10.53 +/- 0.67   0.011% *  0.0943% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    LYS+  33  12.65 +/- 1.02   0.004% *  0.2455% (0.80   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  12.66 +/- 1.44   0.004% *  0.1227% (0.40   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD3   LYS+ 111  15.20 +/- 0.50   0.001% *  0.2218% (0.73   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  33  15.66 +/- 0.65   0.001% *  0.2527% (0.83   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  33  16.48 +/- 1.44   0.001% *  0.2286% (0.75   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  33  16.13 +/- 1.23   0.001% *  0.1987% (0.65   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.80 +/- 0.35   0.003% *  0.0549% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD3   LYS+ 111  17.01 +/- 0.62   0.001% *  0.2551% (0.84   0.02   0.02) =   0.000%
          QB    ALA  124 - HD3   LYS+ 111  16.59 +/- 0.81   0.001% *  0.1729% (0.57   0.02   0.02) =   0.000%
          QG2   THR   77 - HD3   LYS+ 111  14.00 +/- 0.58   0.002% *  0.0471% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  15.20 +/- 0.62   0.001% *  0.0428% (0.14   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  17.26 +/- 0.43   0.001% *  0.0934% (0.31   0.02   0.02) =   0.000%
          QB    ALA   88 - HD3   LYS+ 111  18.77 +/- 0.70   0.000% *  0.1369% (0.45   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  19.10 +/- 0.57   0.000% *  0.1042% (0.34   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  20.26 +/- 1.34   0.000% *  0.1369% (0.45   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  33  20.85 +/- 1.35   0.000% *  0.1550% (0.51   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  33  16.71 +/- 0.73   0.001% *  0.0422% (0.14   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  18.76 +/- 0.54   0.000% *  0.0678% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD3   LYS+ 111  24.39 +/- 0.88   0.000% *  0.2820% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HD3   LYS+ 111  25.01 +/- 0.66   0.000% *  0.2739% (0.90   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  33  21.95 +/- 0.65   0.000% *  0.1227% (0.40   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  16.98 +/- 0.58   0.001% *  0.0233% (0.08   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  18.44 +/- 0.96   0.000% *  0.0339% (0.11   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  21.25 +/- 0.67   0.000% *  0.0749% (0.25   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.99 +/- 1.84   0.000% *  0.0605% (0.20   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  21.45 +/- 0.41   0.000% *  0.0756% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  21.22 +/- 0.57   0.000% *  0.0698% (0.23   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  22.22 +/- 1.45   0.000% *  0.0845% (0.28   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  33  27.12 +/- 1.23   0.000% *  0.2737% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD3   LYS+ 111  28.01 +/- 0.86   0.000% *  0.3027% (0.99   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  16.70 +/- 0.33   0.001% *  0.0117% (0.04   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  20.52 +/- 0.40   0.000% *  0.0258% (0.08   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HD3   LYS+ 111  31.09 +/- 0.93   0.000% *  0.2446% (0.80   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  24.80 +/- 0.31   0.000% *  0.0339% (0.11   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1408 (1.22, 1.64, 29.56 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 313.6:
    * O T HG3   LYS+ 111 - HD3   LYS+ 111   2.92 +/- 0.02  82.327% * 97.1650% (1.00   5.40 313.66) =  99.971%  kept
          HG    LEU   71 - QD    LYS+  33   5.43 +/- 1.82  15.052% *  0.1326% (0.37   0.02   0.02) =   0.025%
          HB3   LEU   71 - QD    LYS+  33   6.17 +/- 1.60   2.132% *  0.1446% (0.40   0.02   0.02) =   0.004%
          HG13  ILE   19 - QD    LYS+  33   7.63 +/- 1.41   0.388% *  0.0638% (0.18   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HD3   LYS+ 111  11.01 +/- 0.44   0.029% *  0.1351% (0.38   0.02  26.37) =   0.000%
          HG3   LYS+  99 - QD    LYS+  33  12.70 +/- 1.58   0.016% *  0.1100% (0.31   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  33  15.28 +/- 1.11   0.004% *  0.1211% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  13.60 +/- 0.75   0.008% *  0.0400% (0.11   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  13.62 +/- 0.88   0.009% *  0.0366% (0.10   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 111  20.06 +/- 0.79   0.001% *  0.3568% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  13.65 +/- 0.92   0.009% *  0.0334% (0.09   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  12.19 +/- 0.86   0.016% *  0.0176% (0.05   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  33  21.91 +/- 1.09   0.000% *  0.3197% (0.89   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  15.24 +/- 0.66   0.004% *  0.0334% (0.09   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD3   LYS+ 111  19.90 +/- 0.78   0.001% *  0.1351% (0.38   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  21.03 +/- 0.44   0.001% *  0.0891% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.50 +/- 0.97   0.001% *  0.0304% (0.08   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  33  27.40 +/- 1.23   0.000% *  0.3226% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HD3   LYS+ 111  24.66 +/- 0.76   0.000% *  0.1228% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 111  26.34 +/- 0.85   0.000% *  0.1614% (0.45   0.02   0.02) =   0.000%
          HG    LEU   71 - HD3   LYS+ 111  27.22 +/- 0.70   0.000% *  0.1480% (0.41   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  25.76 +/- 0.42   0.000% *  0.0883% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  33  27.18 +/- 1.56   0.000% *  0.1211% (0.34   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD3   LYS+ 111  27.47 +/- 0.68   0.000% *  0.0712% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1409 (1.69, 1.64, 29.56 ppm):
    1 diagonal assignment:
          QD    LYS+  65 - QD    LYS+  65  (0.04)  kept
    Reference assignment not found: HD2   LYS+ 111 - HD3   LYS+ 111
 
    Peak 1410 (1.64, 1.64, 29.56 ppm):
    3 diagonal assignments:
    *     HD3   LYS+ 111 - HD3   LYS+ 111  (1.00)  kept
          QD    LYS+  33 - QD    LYS+  33  (0.80)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.06)  kept
 
    Peak 1411 (3.06, 1.64, 29.56 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 313.7:
    * O T QE    LYS+ 111 - HD3   LYS+ 111   2.54 +/- 0.07  99.977% * 98.2676% (1.00   4.97 313.66) = 100.000%  kept
          HB2   CYS   21 - QD    LYS+  33  11.02 +/- 0.77   0.016% *  0.2004% (0.51   0.02   0.02) =   0.000%
          HB2   PHE   45 - HD3   LYS+ 111  14.26 +/- 0.67   0.003% *  0.3737% (0.95   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  33  18.64 +/- 0.91   0.001% *  0.3349% (0.85   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  16.51 +/- 0.81   0.001% *  0.0554% (0.14   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  18.31 +/- 0.39   0.001% *  0.0925% (0.23   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  19.68 +/- 0.42   0.000% *  0.0978% (0.25   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD3   LYS+ 111  24.08 +/- 0.72   0.000% *  0.2237% (0.57   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  33  26.08 +/- 1.13   0.000% *  0.3540% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 313.7:
    *   T HA    LYS+ 111 - QE    LYS+ 111   2.77 +/- 0.21  99.933% * 99.7705% (1.00   5.62 313.66) = 100.000%  kept
          HA    PRO   52 - QE    LYS+ 111   9.76 +/- 0.85   0.067% *  0.2295% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1413 (2.02, 3.06, 42.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 313.5:
    *   T HB2   LYS+ 111 - QE    LYS+ 111   3.58 +/- 0.40  84.037% * 97.9230% (1.00   6.05 313.66) =  99.965%  kept
          QB    GLU- 114 - QE    LYS+ 111   4.86 +/- 0.72  15.909% *  0.1831% (0.57   0.02   1.93) =   0.035%
          HB    ILE  119 - QE    LYS+ 111  12.62 +/- 0.59   0.047% *  0.0720% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    LYS+ 111  22.88 +/- 0.79   0.001% *  0.3206% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    LYS+ 111  24.82 +/- 0.53   0.001% *  0.3206% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   68 - QE    LYS+ 111  24.91 +/- 0.69   0.001% *  0.2806% (0.87   0.02   0.02) =   0.000%
          HB    ILE   19 - QE    LYS+ 111  22.83 +/- 0.47   0.001% *  0.1575% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   68 - QE    LYS+ 111  24.47 +/- 0.51   0.001% *  0.1330% (0.41   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QE    LYS+ 111  25.96 +/- 0.75   0.001% *  0.1575% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    LYS+ 111  29.82 +/- 0.71   0.000% *  0.2901% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   30 - QE    LYS+ 111  24.77 +/- 0.68   0.001% *  0.0720% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QE    LYS+ 111  26.55 +/- 0.49   0.001% *  0.0899% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1414 (1.33, 3.06, 42.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 313.7:
    * O T HG2   LYS+ 111 - QE    LYS+ 111   3.00 +/- 0.07  99.739% * 97.4221% (1.00   5.62 313.66) = 100.000%  kept
          HB3   PRO   93 - QE    LYS+ 111   8.59 +/- 0.71   0.202% *  0.1069% (0.31   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QE    LYS+ 111  13.57 +/- 0.43   0.012% *  0.2516% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   63 - QE    LYS+ 111  15.38 +/- 0.53   0.006% *  0.2894% (0.84   0.02   0.02) =   0.000%
          QG2   THR   77 - QE    LYS+ 111  11.99 +/- 0.51   0.025% *  0.0535% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 111  15.95 +/- 0.78   0.005% *  0.1962% (0.57   0.02   0.02) =   0.000%
          QB    ALA   88 - QE    LYS+ 111  16.38 +/- 0.63   0.004% *  0.1553% (0.45   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 111  16.62 +/- 0.50   0.004% *  0.1182% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   80 - QE    LYS+ 111  21.47 +/- 0.76   0.001% *  0.3198% (0.92   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 111  19.21 +/- 1.10   0.002% *  0.1553% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QE    LYS+ 111  23.68 +/- 0.46   0.000% *  0.3107% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   31 - QE    LYS+ 111  25.63 +/- 0.67   0.000% *  0.3434% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QE    LYS+ 111  28.95 +/- 0.74   0.000% *  0.2774% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1415 (1.22, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 313.7:
    * O T HG3   LYS+ 111 - QE    LYS+ 111   2.04 +/- 0.15  99.976% * 98.8592% (1.00   5.44 313.66) = 100.000%  kept
          HD2   LYS+ 112 - QE    LYS+ 111   8.58 +/- 0.38   0.023% *  0.1363% (0.38   0.02  26.37) =   0.000%
          HG12  ILE   89 - QE    LYS+ 111  17.74 +/- 0.68   0.000% *  0.3601% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QE    LYS+ 111  17.25 +/- 0.69   0.000% *  0.1363% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   71 - QE    LYS+ 111  24.08 +/- 0.70   0.000% *  0.1629% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+ 111  23.37 +/- 0.62   0.000% *  0.1239% (0.34   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 111  24.74 +/- 0.63   0.000% *  0.1493% (0.41   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 111  24.50 +/- 0.54   0.000% *  0.0719% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1416 (1.69, 3.06, 42.92 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 313.7:
    * O T HD2   LYS+ 111 - QE    LYS+ 111   2.24 +/- 0.07  99.926% * 97.4907% (1.00   4.97 313.66) = 100.000%  kept
          HB3   MET   92 - QE    LYS+ 111   9.98 +/- 1.91   0.041% *  0.3842% (0.98   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 111   8.92 +/- 0.62   0.028% *  0.3400% (0.87   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QE    LYS+ 111  12.30 +/- 0.59   0.004% *  0.2846% (0.73   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 111  17.52 +/- 0.62   0.000% *  0.3515% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 111  19.60 +/- 0.38   0.000% *  0.3515% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    LYS+ 111  20.03 +/- 0.54   0.000% *  0.2692% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+ 111  20.41 +/- 0.97   0.000% *  0.2692% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  19.68 +/- 0.42   0.000% *  0.0605% (0.15   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  20.73 +/- 0.82   0.000% *  0.0776% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+ 111  26.09 +/- 0.92   0.000% *  0.1210% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.71 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 = 313.7:
    * O T HD3   LYS+ 111 - QE    LYS+ 111   2.54 +/- 0.07  99.981% * 98.2804% (1.00   4.97 313.66) = 100.000%  kept
          QB    ALA   57 - QE    LYS+ 111  11.50 +/- 0.39   0.012% *  0.3942% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+ 111  16.38 +/- 0.84   0.001% *  0.3300% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 111  13.88 +/- 0.88   0.004% *  0.1099% (0.28   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+ 111  18.93 +/- 0.62   0.001% *  0.3544% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  19.68 +/- 0.42   0.000% *  0.0985% (0.25   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+ 111  26.08 +/- 1.13   0.000% *  0.3544% (0.90   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  20.73 +/- 0.82   0.000% *  0.0782% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 236.3:
    * O T HB2   LYS+ 112 - HA    LYS+ 112   2.90 +/- 0.04  99.741% * 97.3317% (1.00   6.00 236.33) = 100.000%  kept
          HB3   PRO   93 - HA    LYS+ 112   8.24 +/- 0.51   0.204% *  0.1579% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LYS+ 112  14.64 +/- 0.52   0.006% *  0.3180% (0.98   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 112  11.28 +/- 0.32   0.029% *  0.0501% (0.15   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    LYS+ 112  15.44 +/- 0.42   0.004% *  0.3069% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LYS+ 112  16.86 +/- 0.93   0.003% *  0.3069% (0.95   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 112  14.53 +/- 0.63   0.007% *  0.0809% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 112  19.86 +/- 0.30   0.001% *  0.3180% (0.98   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 112  19.03 +/- 0.28   0.001% *  0.1455% (0.45   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 112  18.14 +/- 0.34   0.002% *  0.0902% (0.28   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 112  19.19 +/- 1.21   0.001% *  0.1107% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LYS+ 112  25.18 +/- 0.83   0.000% *  0.3216% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LYS+ 112  27.61 +/- 0.90   0.000% *  0.2910% (0.90   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 112  26.82 +/- 1.77   0.000% *  0.1707% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 236.3:
    * O T HG2   LYS+ 112 - HA    LYS+ 112   2.57 +/- 0.72  99.943% * 99.4886% (1.00   6.08 236.33) = 100.000%  kept
          QG1   VAL   42 - HA    LYS+ 112  11.00 +/- 0.35   0.043% *  0.2736% (0.84   0.02   0.02) =   0.000%
          QB    ALA   47 - HA    LYS+ 112  13.39 +/- 0.64   0.014% *  0.2378% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 1 structures by 0.03 A, kept.
 
    Peak 1422 (1.05, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 236.3:
    * O T HG3   LYS+ 112 - HA    LYS+ 112   2.95 +/- 0.59  99.736% * 99.3122% (1.00   5.76 236.33) = 100.000%  kept
          HG    LEU   63 - HA    LYS+ 112  10.25 +/- 0.97   0.104% *  0.2634% (0.76   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    LYS+ 112   9.56 +/- 0.72   0.154% *  0.1294% (0.38   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    LYS+ 112  17.13 +/- 0.31   0.004% *  0.0860% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LYS+ 112  23.95 +/- 0.84   0.001% *  0.2091% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1423 (1.20, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.788, support = 6.36, residual support = 236.3:
      O T HB3   LYS+ 112 - HA    LYS+ 112   2.78 +/- 0.14  90.260% * 47.7354% (0.76   6.47 236.33) =  90.086%  kept
    *   T HD2   LYS+ 112 - HA    LYS+ 112   4.09 +/- 0.28   9.155% * 51.7867% (1.00   5.37 236.33) =   9.913%  kept
          HG3   LYS+ 111 - HA    LYS+ 112   6.56 +/- 0.07   0.533% *  0.0724% (0.38   0.02  26.37) =   0.001%
          QG2   THR   94 - HA    LYS+ 112   9.71 +/- 0.30   0.051% *  0.1546% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 112  22.49 +/- 0.58   0.000% *  0.1913% (0.99   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 112  21.48 +/- 0.39   0.000% *  0.0596% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 236.3:
    * O T HA    LYS+ 112 - HB2   LYS+ 112   2.90 +/- 0.04  99.794% * 98.7855% (1.00   6.00 236.33) =  99.999%  kept
          HB2   HIS  122 - HB    VAL   42   8.65 +/- 0.71   0.173% *  0.2490% (0.76   0.02   0.02) =   0.000%
          HB    THR   46 - HB    VAL   42  12.49 +/- 0.77   0.017% *  0.1796% (0.55   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LYS+ 112  13.52 +/- 0.99   0.011% *  0.2130% (0.65   0.02   0.02) =   0.000%
        T HA    LYS+ 112 - HB    VAL   42  15.44 +/- 0.42   0.004% *  0.2776% (0.84   0.02   0.02) =   0.000%
          HB2   HIS  122 - HB2   LYS+ 112  18.20 +/- 0.33   0.002% *  0.2953% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.825, support = 5.23, residual support = 147.9:
      O T QG1   VAL   42 - HB    VAL   42   2.11 +/- 0.02  76.755% * 30.2849% (0.70   4.20  86.85) =  59.142%  kept
    * O T HG2   LYS+ 112 - HB2   LYS+ 112   2.62 +/- 0.24  23.241% * 69.0966% (1.00   6.74 236.33) =  40.858%  kept
        T QG1   VAL   42 - HB2   LYS+ 112  13.22 +/- 0.35   0.001% *  0.1713% (0.84   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB2   LYS+ 112  13.56 +/- 0.80   0.001% *  0.1489% (0.73   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  15.30 +/- 0.37   0.001% *  0.1255% (0.61   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  16.59 +/- 1.31   0.000% *  0.1729% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 236.3:
    * O T HG3   LYS+ 112 - HB2   LYS+ 112   2.47 +/- 0.23  99.576% * 98.4552% (1.00   5.76 236.33) =  99.999%  kept
          HG    LEU   63 - HB    VAL   42   7.27 +/- 0.92   0.257% *  0.2202% (0.64   0.02   0.02) =   0.001%
          HB2   LEU  104 - HB    VAL   42   7.86 +/- 0.69   0.132% *  0.0718% (0.21   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB2   LYS+ 112  10.64 +/- 0.80   0.020% *  0.1283% (0.38   0.02   0.02) =   0.000%
          HG    LEU   63 - HB2   LYS+ 112  12.96 +/- 0.99   0.006% *  0.2612% (0.76   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB    VAL   42  13.05 +/- 0.45   0.005% *  0.1081% (0.32   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB    VAL   42  17.01 +/- 0.63   0.001% *  0.2881% (0.84   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    VAL   42  15.51 +/- 0.66   0.002% *  0.1747% (0.51   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB2   LYS+ 112  19.88 +/- 0.29   0.000% *  0.0852% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LYS+ 112  25.42 +/- 0.88   0.000% *  0.2073% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1428 (1.20, 1.37, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 7.16, residual support = 236.3:
      O T HB3   LYS+ 112 - HB2   LYS+ 112   1.75 +/- 0.00  98.663% * 97.4879% (0.76   7.16 236.33) =  99.995%  kept
    * O T HD2   LYS+ 112 - HB2   LYS+ 112   3.72 +/- 0.33   1.271% *  0.3563% (1.00   0.02 236.33) =   0.005%
          HB3   LEU   71 - HB    VAL   42   7.33 +/- 0.36   0.020% *  0.2977% (0.84   0.02   2.45) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+ 112   6.46 +/- 0.25   0.040% *  0.1337% (0.38   0.02  26.37) =   0.000%
          QG2   THR   94 - HB    VAL   42   9.36 +/- 0.14   0.004% *  0.2405% (0.68   0.02   0.02) =   0.000%
          QG2   THR   94 - HB2   LYS+ 112  11.23 +/- 0.37   0.001% *  0.2853% (0.80   0.02   0.02) =   0.000%
        T HD2   LYS+ 112 - HB    VAL   42  17.62 +/- 0.52   0.000% *  0.3004% (0.84   0.02   0.02) =   0.000%
        T HB3   LYS+ 112 - HB    VAL   42  17.98 +/- 0.61   0.000% *  0.2296% (0.64   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   42  17.95 +/- 0.25   0.000% *  0.1127% (0.32   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    VAL   42  19.45 +/- 0.53   0.000% *  0.0927% (0.26   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 112  25.13 +/- 0.60   0.000% *  0.3532% (0.99   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 112  22.32 +/- 0.58   0.000% *  0.1100% (0.31   0.02   0.02) =   0.000%
    Reference assignment eliminated.
    Distance limit 2.45 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 = 236.3:
    * O T HA    LYS+ 112 - HG2   LYS+ 112   2.57 +/- 0.72  99.981% * 99.4944% (1.00   6.08 236.33) = 100.000%  kept
          HB    THR   46 - HG2   LYS+ 112  12.13 +/- 1.31   0.017% *  0.2119% (0.65   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG2   LYS+ 112  16.96 +/- 0.99   0.002% *  0.2937% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 1 structures by 0.02 A, kept.
 
    Peak 1430 (1.37, 0.36, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 236.3:
    * O T HB2   LYS+ 112 - HG2   LYS+ 112   2.62 +/- 0.24  99.826% * 97.6176% (1.00   6.74 236.33) = 100.000%  kept
          HB3   PRO   93 - HG2   LYS+ 112   8.44 +/- 1.00   0.144% *  0.1410% (0.49   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG2   LYS+ 112  11.96 +/- 1.16   0.018% *  0.0447% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG2   LYS+ 112  16.76 +/- 1.57   0.002% *  0.2740% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG2   LYS+ 112  16.57 +/- 1.18   0.002% *  0.2839% (0.98   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG2   LYS+ 112  16.59 +/- 1.31   0.002% *  0.2740% (0.95   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 112  16.06 +/- 0.95   0.003% *  0.0722% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 112  20.41 +/- 1.13   0.001% *  0.2839% (0.98   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 112  19.11 +/- 0.68   0.001% *  0.1299% (0.45   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 112  19.66 +/- 1.02   0.001% *  0.0805% (0.28   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 112  20.79 +/- 1.69   0.001% *  0.0988% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG2   LYS+ 112  27.20 +/- 1.51   0.000% *  0.2871% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG2   LYS+ 112  28.50 +/- 1.40   0.000% *  0.2598% (0.90   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 112  26.75 +/- 2.00   0.000% *  0.1524% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 236.3:
    * O T HG3   LYS+ 112 - HG2   LYS+ 112   1.75 +/- 0.00  99.996% * 99.4317% (1.00   6.98 236.33) = 100.000%  kept
          HG    LEU   63 - HG2   LYS+ 112  11.25 +/- 1.40   0.002% *  0.2177% (0.76   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG2   LYS+ 112  11.14 +/- 0.72   0.002% *  0.1069% (0.38   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG2   LYS+ 112  19.07 +/- 1.12   0.000% *  0.0710% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   24 - HG2   LYS+ 112  24.45 +/- 1.31   0.000% *  0.1728% (0.61   0.02   0.02) =   0.000%
    Distance limit 2.58 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 = 0.902, support = 6.62, residual support = 236.3:
    * O T HD2   LYS+ 112 - HG2   LYS+ 112   2.80 +/- 0.31  53.554% * 54.5446% (1.00   6.41 236.33) =  58.356%  kept
      O T HB3   LYS+ 112 - HG2   LYS+ 112   2.86 +/- 0.13  46.288% * 45.0338% (0.76   6.92 236.33) =  41.643%  kept
          HG3   LYS+ 111 - HG2   LYS+ 112   7.84 +/- 0.43   0.138% *  0.0639% (0.38   0.02  26.37) =   0.000%
          QG2   THR   94 - HG2   LYS+ 112  10.93 +/- 0.73   0.019% *  0.1364% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 112  23.41 +/- 1.27   0.000% *  0.1688% (0.99   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG2   LYS+ 112  21.99 +/- 0.89   0.000% *  0.0526% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 236.3:
    * O T HA    LYS+ 112 - HG3   LYS+ 112   2.95 +/- 0.59  99.965% * 99.4671% (1.00   5.76 236.33) = 100.000%  kept
          HB    THR   46 - HG3   LYS+ 112  12.21 +/- 1.02   0.032% *  0.2233% (0.65   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG3   LYS+ 112  17.47 +/- 0.75   0.003% *  0.3096% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1435 (1.37, 1.05, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 236.3:
    * O T HB2   LYS+ 112 - HG3   LYS+ 112   2.47 +/- 0.23  99.896% * 97.2247% (1.00   5.76 236.33) = 100.000%  kept
          HB3   PRO   93 - HG3   LYS+ 112   8.50 +/- 0.86   0.089% *  0.1643% (0.49   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 112  12.28 +/- 0.76   0.009% *  0.0521% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 112  16.96 +/- 0.67   0.001% *  0.3308% (0.98   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG3   LYS+ 112  17.01 +/- 0.63   0.001% *  0.3192% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 112  17.03 +/- 1.01   0.001% *  0.3192% (0.95   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 112  16.45 +/- 0.84   0.001% *  0.0841% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG3   LYS+ 112  20.71 +/- 0.78   0.000% *  0.3308% (0.98   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 112  19.14 +/- 0.76   0.001% *  0.1513% (0.45   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 112  20.03 +/- 0.64   0.000% *  0.0938% (0.28   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 112  21.21 +/- 1.31   0.000% *  0.1151% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 112  27.64 +/- 0.90   0.000% *  0.3345% (0.99   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 112  27.02 +/- 2.10   0.000% *  0.1775% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 112  28.85 +/- 1.04   0.000% *  0.3026% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 236.3:
    * O T HG2   LYS+ 112 - HG3   LYS+ 112   1.75 +/- 0.00  99.998% * 99.5547% (1.00   6.98 236.33) = 100.000%  kept
          QG1   VAL   42 - HG3   LYS+ 112  12.35 +/- 0.51   0.001% *  0.2382% (0.84   0.02   0.02) =   0.000%
          QB    ALA   47 - HG3   LYS+ 112  12.83 +/- 1.06   0.001% *  0.2071% (0.73   0.02   0.02) =   0.000%
    Distance limit 2.75 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 = 0.931, support = 5.88, residual support = 236.3:
    * O T HD2   LYS+ 112 - HG3   LYS+ 112   2.46 +/- 0.14  70.099% * 50.4149% (1.00   5.44 236.33) =  70.696%  kept
      O   HB3   LYS+ 112 - HG3   LYS+ 112   2.84 +/- 0.18  29.819% * 49.1262% (0.76   6.94 236.33) =  29.304%  kept
          HG3   LYS+ 111 - HG3   LYS+ 112   7.84 +/- 0.26   0.073% *  0.0696% (0.38   0.02  26.37) =   0.000%
          QG2   THR   94 - HG3   LYS+ 112  11.16 +/- 0.56   0.009% *  0.1484% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   LYS+ 112  23.82 +/- 0.80   0.000% *  0.1837% (0.99   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+ 112  22.05 +/- 0.82   0.000% *  0.0572% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1439 (3.46, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.37, residual support = 236.3:
    *   T HA    LYS+ 112 - HD2   LYS+ 112   4.09 +/- 0.28  99.902% * 99.4279% (1.00   5.37 236.33) = 100.000%  kept
          HB    THR   46 - HD2   LYS+ 112  13.68 +/- 0.90   0.080% *  0.2397% (0.65   0.02   0.02) =   0.000%
          HB2   HIS  122 - HD2   LYS+ 112  17.28 +/- 0.78   0.018% *  0.3324% (0.90   0.02   0.02) =   0.000%
    Distance limit 5.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1440 (1.37, 1.20, 29.98 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.08, residual support = 236.3:
    * O T HB2   LYS+ 112 - HD2   LYS+ 112   3.72 +/- 0.33  99.625% * 97.3640% (1.00   6.08 236.33) =  99.999%  kept
          HB3   PRO   93 - HD2   LYS+ 112  10.46 +/- 0.59   0.252% *  0.1560% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HD2   LYS+ 112  16.44 +/- 0.93   0.015% *  0.3032% (0.95   0.02   0.02) =   0.000%
        T HB    VAL   42 - HD2   LYS+ 112  17.62 +/- 0.52   0.010% *  0.3032% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 112  13.41 +/- 0.50   0.055% *  0.0495% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HD2   LYS+ 112  18.33 +/- 0.70   0.008% *  0.3142% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 112  15.96 +/- 0.91   0.020% *  0.0799% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD2   LYS+ 112  21.71 +/- 0.57   0.003% *  0.3142% (0.98   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 112  20.71 +/- 0.62   0.004% *  0.1437% (0.45   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 112  21.01 +/- 0.48   0.004% *  0.0891% (0.28   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 112  22.29 +/- 1.28   0.003% *  0.1093% (0.34   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 112  26.72 +/- 2.21   0.001% *  0.1686% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HD2   LYS+ 112  28.65 +/- 0.79   0.001% *  0.3177% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HD2   LYS+ 112  29.56 +/- 1.06   0.000% *  0.2874% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1441 (0.36, 1.20, 29.98 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.41, residual support = 236.3:
    * O T HG2   LYS+ 112 - HD2   LYS+ 112   2.80 +/- 0.31  99.981% * 99.5149% (1.00   6.41 236.33) = 100.000%  kept
          QG1   VAL   42 - HD2   LYS+ 112  12.96 +/- 0.42   0.012% *  0.2595% (0.84   0.02   0.02) =   0.000%
          QB    ALA   47 - HD2   LYS+ 112  14.32 +/- 1.02   0.007% *  0.2256% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1442 (1.05, 1.20, 29.98 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 236.3:
    * O T HG3   LYS+ 112 - HD2   LYS+ 112   2.46 +/- 0.14  99.983% * 99.2718% (1.00   5.44 236.33) = 100.000%  kept
          HG    LEU   63 - HD2   LYS+ 112  11.67 +/- 1.09   0.011% *  0.2789% (0.76   0.02   0.02) =   0.000%
          QG2   VAL  108 - HD2   LYS+ 112  12.81 +/- 0.86   0.006% *  0.1370% (0.38   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD2   LYS+ 112  20.26 +/- 0.63   0.000% *  0.0910% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   24 - HD2   LYS+ 112  25.90 +/- 0.83   0.000% *  0.2214% (0.61   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1443 (1.20, 1.20, 29.98 ppm):
    1 diagonal assignment:
    *     HD2   LYS+ 112 - HD2   LYS+ 112  (1.00)  kept
 
    Peak 1444 (4.37, 4.37, 57.38 ppm):
    1 diagonal assignment:
    *     HA    ASP- 113 - HA    ASP- 113  (1.00)  kept
 
    Peak 1445 (2.68, 4.37, 57.38 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.0, residual support = 13.9:
    * O T QB    ASP- 113 - HA    ASP- 113   2.45 +/- 0.12 100.000% *100.0000% (1.00   2.00  13.90) = 100.000%  kept
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1446 (4.37, 2.68, 39.79 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 13.9:
    * O T HA    ASP- 113 - QB    ASP- 113   2.45 +/- 0.12  99.954% * 96.8416% (1.00   2.00  13.90) = 100.000%  kept
          HA    ILE   56 - QB    ASP- 113   9.51 +/- 0.31   0.031% *  0.6265% (0.65   0.02   0.02) =   0.000%
        T HA    PHE   59 - QB    ASP- 113  10.95 +/- 0.35   0.013% *  0.5483% (0.57   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    ASP- 113  16.39 +/- 0.28   0.001% *  0.5095% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    ASP- 113  21.81 +/- 0.45   0.000% *  0.8089% (0.84   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    ASP- 113  26.68 +/- 0.65   0.000% *  0.6652% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 0.923, support = 3.27, residual support = 48.1:
    * O T QB    GLU- 114 - HA    GLU- 114   2.19 +/- 0.05  76.900% * 79.8304% (0.97   3.11  38.94) =  95.218%  kept
      O T HB2   LEU  115 - HA    LEU  115   2.75 +/- 0.10  20.092% * 15.3013% (0.09   6.32 230.30) =   4.768%  kept
          HB2   LYS+ 111 - HA    GLU- 114   4.34 +/- 0.41   1.428% *  0.3859% (0.73   0.02   1.93) =   0.009%
        T QB    GLU- 114 - HA    LEU  115   4.60 +/- 0.25   1.023% *  0.2361% (0.44   0.02  19.72) =   0.004%
          HB2   LYS+ 111 - HA    LEU  115   5.78 +/- 0.52   0.263% *  0.1776% (0.33   0.02   0.02) =   0.001%
        T HB2   LEU  115 - HA    GLU- 114   5.57 +/- 0.04   0.283% *  0.1052% (0.20   0.02  19.72) =   0.000%
          HG3   PRO   58 - HA    LEU  115  10.32 +/- 0.72   0.008% *  0.0545% (0.10   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  13.53 +/- 0.58   0.001% *  0.1183% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  18.45 +/- 0.53   0.000% *  0.2122% (0.40   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  18.88 +/- 0.39   0.000% *  0.2258% (0.42   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LEU  115  18.83 +/- 0.80   0.000% *  0.1959% (0.37   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  22.35 +/- 0.71   0.000% *  0.4610% (0.87   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.49 +/- 0.48   0.000% *  0.4906% (0.92   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LEU  115  20.52 +/- 0.70   0.000% *  0.1959% (0.37   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 114  23.59 +/- 0.81   0.000% *  0.4256% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  19.09 +/- 0.64   0.000% *  0.1006% (0.19   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 114  24.55 +/- 0.80   0.000% *  0.4256% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 114  23.22 +/- 0.76   0.000% *  0.2185% (0.41   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU- 114  33.26 +/- 0.64   0.000% *  0.5028% (0.95   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU  115  29.27 +/- 0.47   0.000% *  0.2314% (0.44   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  22.78 +/- 0.74   0.000% *  0.0331% (0.06   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 114  27.15 +/- 0.74   0.000% *  0.0719% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.68 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 = 0.741, support = 3.88, residual support = 29.8:
    * O T QG    GLU- 114 - HA    GLU- 114   3.27 +/- 0.11  37.620% * 62.9485% (1.00   3.55  38.94) =  52.240%  kept
        T QG    GLU- 114 - HA    LEU  115   3.16 +/- 0.85  62.362% * 34.7177% (0.46   4.25  19.72) =  47.760%  kept
          HG2   MET   92 - HA    GLU- 114  16.08 +/- 1.43   0.003% *  0.3551% (1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    LEU  115  14.52 +/- 1.32   0.006% *  0.1634% (0.46   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU- 114  15.91 +/- 0.78   0.003% *  0.2445% (0.69   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    LEU  115  14.45 +/- 0.94   0.006% *  0.1125% (0.32   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    LEU  115  21.71 +/- 0.62   0.000% *  0.1606% (0.45   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU- 114  25.50 +/- 0.55   0.000% *  0.3489% (0.98   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU- 114  31.71 +/- 1.08   0.000% *  0.3551% (1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    LEU  115  28.08 +/- 1.12   0.000% *  0.1634% (0.46   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU- 114  35.02 +/- 0.64   0.000% *  0.1732% (0.49   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLU- 114  33.44 +/- 1.97   0.000% *  0.1214% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - HA    LEU  115  29.50 +/- 1.93   0.000% *  0.0559% (0.16   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    LEU  115  31.11 +/- 0.50   0.000% *  0.0797% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1451 (4.14, 2.00, 29.90 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.11, residual support = 38.9:
    * O T HA    GLU- 114 - QB    GLU- 114   2.19 +/- 0.05  98.634% * 97.2856% (0.97   3.11  38.94) =  99.994%  kept
        T HA    LEU  115 - QB    GLU- 114   4.60 +/- 0.25   1.361% *  0.4294% (0.66   0.02  19.72) =   0.006%
          HA    CYS   53 - QB    GLU- 114  12.09 +/- 0.60   0.004% *  0.1237% (0.19   0.02   0.02) =   0.000%
        T HA    ARG+  54 - QB    GLU- 114  14.53 +/- 0.57   0.001% *  0.1095% (0.17   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    GLU- 114  19.53 +/- 0.65   0.000% *  0.6032% (0.93   0.02   0.02) =   0.000%
          HA    ALA   34 - QB    GLU- 114  21.99 +/- 0.72   0.000% *  0.5221% (0.81   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    GLU- 114  23.43 +/- 0.84   0.000% *  0.4044% (0.62   0.02   0.02) =   0.000%
          HA    THR   26 - QB    GLU- 114  26.50 +/- 0.69   0.000% *  0.5221% (0.81   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 3.68, residual support = 38.9:
    * O T QG    GLU- 114 - QB    GLU- 114   2.10 +/- 0.05  99.995% * 97.6117% (0.96   3.68  38.94) = 100.000%  kept
          HG2   MET   92 - QB    GLU- 114  12.50 +/- 1.25   0.003% *  0.5307% (0.96   0.02   0.02) =   0.000%
          HG2   PRO   52 - QB    GLU- 114  12.84 +/- 0.72   0.002% *  0.3653% (0.66   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    GLU- 114  21.42 +/- 0.62   0.000% *  0.5213% (0.95   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    GLU- 114  27.84 +/- 1.01   0.000% *  0.5307% (0.96   0.02   0.02) =   0.000%
        T HG3   GLU-  25 - QB    GLU- 114  30.02 +/- 0.76   0.000% *  0.2589% (0.47   0.02   0.02) =   0.000%
          QB    MET   11 - QB    GLU- 114  30.09 +/- 1.75   0.000% *  0.1814% (0.33   0.02   0.02) =   0.000%
    Distance limit 2.74 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 = 0.817, support = 3.95, residual support = 27.9:
        T HA    LEU  115 - QG    GLU- 114   3.16 +/- 0.85  62.346% * 44.6464% (0.69   4.25  19.72) =  57.709%  kept
    * O T HA    GLU- 114 - QG    GLU- 114   3.27 +/- 0.11  37.611% * 54.2351% (1.00   3.55  38.94) =  42.291%  kept
          HA    CYS   53 - QG    GLU- 114  10.62 +/- 0.46   0.032% *  0.0606% (0.20   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    GLU- 114  13.07 +/- 0.46   0.009% *  0.0536% (0.17   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG    GLU- 114  18.62 +/- 0.38   0.001% *  0.2953% (0.96   0.02   0.02) =   0.000%
          HA    ALA   34 - QG    GLU- 114  20.64 +/- 0.48   0.001% *  0.2556% (0.83   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    GLU- 114  21.94 +/- 0.65   0.000% *  0.1979% (0.65   0.02   0.02) =   0.000%
          HA    THR   26 - QG    GLU- 114  24.85 +/- 0.47   0.000% *  0.2556% (0.83   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1455 (2.00, 2.31, 37.32 ppm):
    11 chemical-shift based assignments, quality = 0.928, support = 3.35, residual support = 33.6:
    * O T QB    GLU- 114 - QG    GLU- 114   2.10 +/- 0.05  60.165% * 75.5632% (0.96   3.68  38.94) =  85.461%  kept
          HB2   LYS+ 111 - QG    GLU- 114   2.41 +/- 0.42  34.853% * 22.1786% (0.72   1.44   1.93) =  14.531%  kept
          HB2   LEU  115 - QG    GLU- 114   3.48 +/- 0.76   4.979% *  0.0842% (0.20   0.02  19.72) =   0.008%
          HG3   PRO   58 - QG    GLU- 114  10.99 +/- 0.58   0.003% *  0.0948% (0.22   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLU- 114  18.75 +/- 0.57   0.000% *  0.3930% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG    GLU- 114  19.30 +/- 0.91   0.000% *  0.3409% (0.80   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLU- 114  19.47 +/- 0.71   0.000% *  0.3692% (0.87   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG    GLU- 114  20.70 +/- 0.68   0.000% *  0.3409% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG    GLU- 114  20.01 +/- 0.65   0.000% *  0.1750% (0.41   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLU- 114  26.86 +/- 0.54   0.000% *  0.4027% (0.94   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLU- 114  21.87 +/- 0.67   0.000% *  0.0576% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.46 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 = 0.693, support = 5.81, residual support = 201.1:
    * O T HB2   LEU  115 - HA    LEU  115   2.75 +/- 0.10  17.978% * 84.5610% (0.84   6.32 230.30) =  80.933%  kept
      O T QB    GLU- 114 - HA    GLU- 114   2.19 +/- 0.05  68.942% *  3.5159% (0.07   3.11  38.94) =  12.904%  kept
      O   HB3   ARG+  54 - HA    ARG+  54   2.95 +/- 0.02  11.642% *  9.9314% (0.13   4.76 156.80) =   6.155%  kept
        T QB    GLU- 114 - HA    LEU  115   4.60 +/- 0.25   0.909% *  0.0826% (0.26   0.02  19.72) =   0.004%
          HG3   PRO   58 - HA    ARG+  54   5.75 +/- 0.56   0.255% *  0.1497% (0.47   0.02   0.02) =   0.002%
        T HB2   LEU  115 - HA    GLU- 114   5.57 +/- 0.04   0.254% *  0.0732% (0.23   0.02  19.72) =   0.001%
          HG3   PRO   58 - HA    LEU  115  10.32 +/- 0.72   0.007% *  0.2669% (0.83   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HA    ARG+  54  11.43 +/- 0.42   0.004% *  0.1500% (0.47   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    LEU  115  13.47 +/- 0.63   0.001% *  0.2142% (0.67   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ARG+  54  12.47 +/- 0.44   0.002% *  0.0789% (0.25   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU  115  14.34 +/- 0.82   0.001% *  0.1407% (0.44   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  13.53 +/- 0.58   0.001% *  0.0730% (0.23   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU  115  14.93 +/- 0.54   0.001% *  0.0744% (0.23   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HA    ARG+  54  14.53 +/- 0.57   0.001% *  0.0463% (0.14   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    ARG+  54  17.63 +/- 0.61   0.000% *  0.1201% (0.37   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  18.45 +/- 0.53   0.000% *  0.1199% (0.37   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  18.88 +/- 0.39   0.000% *  0.1004% (0.31   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ARG+  54  17.32 +/- 0.59   0.000% *  0.0563% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    GLU- 114  17.63 +/- 0.79   0.000% *  0.0586% (0.18   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU- 114  19.10 +/- 0.85   0.000% *  0.0385% (0.12   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ARG+  54  21.22 +/- 0.93   0.000% *  0.0672% (0.21   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU- 114  17.77 +/- 0.40   0.000% *  0.0204% (0.06   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  22.35 +/- 0.71   0.000% *  0.0328% (0.10   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.49 +/- 0.48   0.000% *  0.0275% (0.09   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 0.373, support = 6.45, residual support = 230.3:
      O T HB3   LEU  115 - HA    LEU  115   2.27 +/- 0.18  88.972% * 25.7310% (0.26   6.45 230.30) =  75.277%  kept
    * O T HG    LEU  115 - HA    LEU  115   3.64 +/- 0.47  10.427% * 72.1076% (0.72   6.44 230.30) =  24.722%  kept
          QB    ALA  120 - HA    LEU  115   7.58 +/- 0.13   0.060% *  0.2241% (0.72   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    GLU- 114   6.50 +/- 0.59   0.172% *  0.0613% (0.20   0.02  19.72) =   0.000%
        T HB3   LEU  115 - HA    GLU- 114   6.38 +/- 0.22   0.178% *  0.0218% (0.07   0.02  19.72) =   0.000%
          QB    ALA  120 - HA    GLU- 114   7.75 +/- 0.29   0.055% *  0.0613% (0.20   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU  115   8.46 +/- 1.33   0.049% *  0.0575% (0.19   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU- 114   8.63 +/- 1.62   0.056% *  0.0157% (0.05   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ARG+  54  11.26 +/- 0.64   0.006% *  0.1256% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ARG+  54  11.27 +/- 0.79   0.006% *  0.0878% (0.28   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    LEU  115  13.47 +/- 1.69   0.003% *  0.1062% (0.34   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ARG+  54  11.33 +/- 0.47   0.006% *  0.0447% (0.14   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    LEU  115  15.41 +/- 0.50   0.001% *  0.2560% (0.83   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    LEU  115  13.70 +/- 0.59   0.002% *  0.0797% (0.26   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU  115  15.39 +/- 0.45   0.001% *  0.1567% (0.51   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ARG+  54  13.32 +/- 0.72   0.002% *  0.0403% (0.13   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  115  15.40 +/- 0.70   0.001% *  0.0718% (0.23   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ARG+  54  17.01 +/- 0.28   0.000% *  0.1256% (0.41   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ARG+  54  17.46 +/- 0.69   0.000% *  0.0494% (0.16   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU- 114  18.69 +/- 0.62   0.000% *  0.0701% (0.23   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    ARG+  54  18.64 +/- 1.26   0.000% *  0.0595% (0.19   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU- 114  17.35 +/- 1.92   0.001% *  0.0291% (0.09   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    LEU  115  20.28 +/- 0.35   0.000% *  0.0881% (0.28   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ARG+  54  22.53 +/- 0.71   0.000% *  0.1436% (0.46   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    GLU- 114  17.24 +/- 0.84   0.000% *  0.0218% (0.07   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU- 114  19.97 +/- 0.44   0.000% *  0.0429% (0.14   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ARG+  54  20.45 +/- 0.56   0.000% *  0.0447% (0.14   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ARG+  54  21.25 +/- 1.01   0.000% *  0.0322% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU- 114  19.81 +/- 0.72   0.000% *  0.0197% (0.06   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    GLU- 114  23.93 +/- 0.44   0.000% *  0.0241% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1460 (0.43, 4.12, 59.41 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 6.32, residual support = 230.3:
    *   T QD1   LEU  115 - HA    LEU  115   3.98 +/- 0.14  93.134% * 99.1937% (0.84   6.32 230.30) =  99.992%  kept
        T QD1   LEU  115 - HA    GLU- 114   6.65 +/- 0.49   4.761% *  0.0859% (0.23   0.02  19.72) =   0.004%
        T QD1   LEU  115 - HA    ARG+  54   7.78 +/- 0.60   1.902% *  0.1759% (0.47   0.02   0.02) =   0.004%
          QG1   VAL   75 - HA    ARG+  54  12.20 +/- 0.69   0.127% *  0.1664% (0.44   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    LEU  115  13.79 +/- 0.70   0.059% *  0.2968% (0.79   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    GLU- 114  16.75 +/- 0.70   0.018% *  0.0812% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.11 A, kept.
 
    Peak 1461 (0.59, 4.12, 59.41 ppm):
    21 chemical-shift based assignments, quality = 0.806, support = 7.57, residual support = 230.3:
    *   T QD2   LEU  115 - HA    LEU  115   2.93 +/- 0.15  94.460% * 97.6836% (0.81   7.57 230.30) =  99.990%  kept
          QD1   LEU   63 - HA    LEU  115   5.42 +/- 0.46   2.683% *  0.2528% (0.79   0.02   0.02) =   0.007%
        T QD2   LEU  115 - HA    GLU- 114   6.00 +/- 0.26   1.587% *  0.0706% (0.22   0.02  19.72) =   0.001%
          QD2   LEU   63 - HA    LEU  115   6.53 +/- 0.54   0.906% *  0.1003% (0.31   0.02   0.02) =   0.001%
        T QD2   LEU  115 - HA    ARG+  54   9.67 +/- 0.48   0.078% *  0.1446% (0.45   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    GLU- 114   9.22 +/- 0.60   0.109% *  0.0692% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    ARG+  54  10.84 +/- 0.46   0.038% *  0.1418% (0.44   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    LEU  115  11.94 +/- 0.42   0.022% *  0.2043% (0.64   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLU- 114   9.90 +/- 0.70   0.072% *  0.0274% (0.09   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    LEU  115  15.30 +/- 0.50   0.005% *  0.2528% (0.79   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    ARG+  54  12.65 +/- 0.53   0.016% *  0.0562% (0.18   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    ARG+  54  15.86 +/- 0.60   0.004% *  0.1418% (0.44   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLU- 114  13.90 +/- 0.49   0.009% *  0.0559% (0.17   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    ARG+  54  16.55 +/- 0.76   0.003% *  0.1418% (0.44   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  115  18.56 +/- 0.42   0.002% *  0.2528% (0.79   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  115  18.34 +/- 0.75   0.002% *  0.0825% (0.26   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ARG+  54  19.85 +/- 0.44   0.001% *  0.1145% (0.36   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLU- 114  18.75 +/- 0.59   0.001% *  0.0692% (0.22   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    ARG+  54  17.67 +/- 0.91   0.002% *  0.0463% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLU- 114  21.63 +/- 0.55   0.001% *  0.0692% (0.22   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLU- 114  20.93 +/- 0.93   0.001% *  0.0226% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 1 structures by 0.02 A, kept.
 
    Peak 1462 (4.12, 1.98, 42.01 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 6.32, residual support = 230.3:
    * O T HA    LEU  115 - HB2   LEU  115   2.75 +/- 0.10  98.515% * 98.1925% (0.84   6.32 230.30) =  99.998%  kept
        T HA    GLU- 114 - HB2   LEU  115   5.57 +/- 0.04   1.461% *  0.1269% (0.34   0.02  19.72) =   0.002%
        T HA    ARG+  54 - HB2   LEU  115  11.43 +/- 0.42   0.020% *  0.3433% (0.92   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   LEU  115  16.57 +/- 0.57   0.002% *  0.3106% (0.84   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   LEU  115  23.00 +/- 0.59   0.000% *  0.2555% (0.69   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   LEU  115  22.31 +/- 0.62   0.000% *  0.1810% (0.49   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   LEU  115  24.75 +/- 0.77   0.000% *  0.3226% (0.87   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   LEU  115  24.39 +/- 0.47   0.000% *  0.1529% (0.41   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   LEU  115  28.97 +/- 0.71   0.000% *  0.1148% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.445, support = 6.17, residual support = 230.3:
      O T HB3   LEU  115 - HB2   LEU  115   1.75 +/- 0.00  89.814% * 25.6191% (0.31   6.14 230.30) =  75.517%  kept
    * O T HG    LEU  115 - HB2   LEU  115   2.55 +/- 0.20  10.178% * 73.2926% (0.87   6.25 230.30) =  24.483%  kept
          QB    ALA  120 - HB2   LEU  115   9.14 +/- 0.26   0.005% *  0.2344% (0.87   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  115  11.05 +/- 1.35   0.002% *  0.0602% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU  115  15.28 +/- 0.51   0.000% *  0.1639% (0.61   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU  115  15.14 +/- 1.48   0.000% *  0.1111% (0.41   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HB2   LEU  115  17.60 +/- 0.61   0.000% *  0.2679% (0.99   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU  115  15.78 +/- 0.62   0.000% *  0.0834% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  115  15.55 +/- 0.70   0.000% *  0.0751% (0.28   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  115  20.60 +/- 0.47   0.000% *  0.0922% (0.34   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 = 230.3:
    * O T QD1   LEU  115 - HB2   LEU  115   2.35 +/- 0.11  99.997% * 99.6857% (1.00   6.00 230.30) = 100.000%  kept
          QG1   VAL   75 - HB2   LEU  115  13.71 +/- 0.81   0.003% *  0.3143% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 230.3:
    * O T QD2   LEU  115 - HB2   LEU  115   3.08 +/- 0.31  98.265% * 98.7875% (0.97   7.24 230.30) =  99.996%  kept
          QD1   LEU   63 - HB2   LEU  115   6.58 +/- 0.44   1.330% *  0.2676% (0.95   0.02   0.02) =   0.004%
          QD2   LEU   63 - HB2   LEU  115   7.97 +/- 0.51   0.382% *  0.1062% (0.38   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   LEU  115  14.05 +/- 0.48   0.013% *  0.2162% (0.76   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU  115  16.10 +/- 0.64   0.006% *  0.2676% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  115  18.72 +/- 0.53   0.002% *  0.2676% (0.95   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  115  18.57 +/- 0.78   0.002% *  0.0873% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 6.44, residual support = 230.3:
    * O T HA    LEU  115 - HG    LEU  115   3.64 +/- 0.47  94.487% * 97.5344% (0.72   6.44 230.30) =  99.993%  kept
        T HA    GLU- 114 - HG    LEU  115   6.50 +/- 0.59   4.150% *  0.1238% (0.30   0.02  19.72) =   0.006%
          HA    ALA   34 - HG    LEU   40   8.45 +/- 0.89   0.803% *  0.0847% (0.20   0.02   0.02) =   0.001%
        T HA    ARG+  54 - HG    LEU  115  11.26 +/- 0.64   0.133% *  0.3350% (0.80   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU   40  10.11 +/- 0.74   0.257% *  0.0600% (0.14   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU  115  15.72 +/- 0.55   0.018% *  0.3031% (0.72   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG    LEU   40  13.70 +/- 0.59   0.043% *  0.1029% (0.25   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU   40  14.82 +/- 1.32   0.035% *  0.1029% (0.25   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU   40  15.16 +/- 0.88   0.021% *  0.1069% (0.26   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   40  14.06 +/- 0.54   0.034% *  0.0380% (0.09   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HG    LEU   40  17.24 +/- 0.84   0.010% *  0.0420% (0.10   0.02   0.02) =   0.000%
          HA    ALA   34 - HG    LEU  115  23.14 +/- 1.09   0.002% *  0.2493% (0.60   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG    LEU   40  20.45 +/- 0.56   0.004% *  0.1138% (0.27   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU  115  25.50 +/- 1.34   0.001% *  0.3148% (0.75   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU  115  23.08 +/- 1.01   0.002% *  0.1766% (0.42   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU  115  25.64 +/- 0.98   0.001% *  0.1492% (0.36   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   40  24.34 +/- 1.07   0.001% *  0.0507% (0.12   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU  115  29.26 +/- 1.07   0.000% *  0.1120% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 6.25, residual support = 230.3:
    * O T HB2   LEU  115 - HG    LEU  115   2.55 +/- 0.20  98.793% * 98.3196% (0.87   6.25 230.30) =  99.998%  kept
          HG3   PRO   58 - HG    LEU  115   7.40 +/- 0.62   0.207% *  0.3138% (0.87   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG    LEU  115   6.33 +/- 0.40   0.446% *  0.0971% (0.27   0.02  19.72) =   0.000%
        T HB2   LEU   67 - HG    LEU   40   6.61 +/- 0.79   0.468% *  0.0855% (0.24   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HG    LEU  115  14.18 +/- 1.03   0.005% *  0.2518% (0.69   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU   40  10.88 +/- 1.12   0.023% *  0.0562% (0.16   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   40  11.81 +/- 1.50   0.019% *  0.0479% (0.13   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU  115  14.30 +/- 1.14   0.005% *  0.1655% (0.46   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU   40  11.37 +/- 1.25   0.019% *  0.0401% (0.11   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU  115  12.61 +/- 0.49   0.008% *  0.0874% (0.24   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HG    LEU   40  15.78 +/- 0.62   0.002% *  0.1068% (0.29   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU  115  18.55 +/- 0.73   0.001% *  0.1410% (0.39   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU  115  19.50 +/- 1.08   0.001% *  0.1180% (0.33   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   40  15.32 +/- 0.82   0.003% *  0.0330% (0.09   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   40  19.03 +/- 0.48   0.001% *  0.1066% (0.29   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU   40  23.10 +/- 0.48   0.000% *  0.0297% (0.08   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1469 (1.48, 1.48, 26.92 ppm):
    2 diagonal assignments:
    *     HG    LEU  115 - HG    LEU  115  (0.75)  kept
          HG    LEU   40 - HG    LEU   40  (0.09)  kept
 
    Peak 1470 (0.43, 1.48, 26.92 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 6.12, residual support = 230.3:
    * O T QD1   LEU  115 - HG    LEU  115   2.10 +/- 0.01  99.996% * 99.4778% (0.87   6.12 230.30) = 100.000%  kept
          QG1   VAL   75 - HG    LEU  115  14.63 +/- 1.06   0.001% *  0.3074% (0.82   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU   40  13.16 +/- 1.04   0.002% *  0.1044% (0.28   0.02   0.02) =   0.000%
        T QD1   LEU  115 - HG    LEU   40  13.44 +/- 0.33   0.001% *  0.1104% (0.29   0.02   0.02) =   0.000%
    Distance limit 4.57 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 = 7.33, residual support = 230.3:
    * O T QD2   LEU  115 - HG    LEU  115   2.09 +/- 0.01  92.475% * 98.3128% (0.84   7.33 230.30) =  99.994%  kept
          QD1   LEU  104 - HG    LEU   40   4.01 +/- 0.90   7.000% *  0.0722% (0.23   0.02   0.02) =   0.006%
          QD1   LEU   63 - HG    LEU  115   6.24 +/- 0.80   0.220% *  0.2629% (0.82   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG    LEU  115   7.29 +/- 0.84   0.099% *  0.1043% (0.33   0.02   0.02) =   0.000%
          QD1   LEU   63 - HG    LEU   40   7.06 +/- 0.55   0.072% *  0.0893% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG    LEU   40   6.87 +/- 0.85   0.102% *  0.0354% (0.11   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU   40   8.46 +/- 0.93   0.027% *  0.0893% (0.28   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HG    LEU   40  12.12 +/- 0.70   0.003% *  0.0911% (0.28   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG    LEU  115  14.18 +/- 0.66   0.001% *  0.2124% (0.66   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU  115  16.49 +/- 0.99   0.000% *  0.2629% (0.82   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   40  15.05 +/- 0.85   0.001% *  0.0893% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  115  19.51 +/- 1.05   0.000% *  0.2629% (0.82   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU   40  15.65 +/- 0.83   0.001% *  0.0291% (0.09   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  115  19.63 +/- 1.36   0.000% *  0.0858% (0.27   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1472 (4.12, 0.43, 25.13 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 6.32, residual support = 230.3:
    *   T HA    LEU  115 - QD1   LEU  115   3.98 +/- 0.14  93.258% * 98.1925% (0.84   6.32 230.30) =  99.986%  kept
        T HA    ARG+  54 - QD1   LEU  115   7.78 +/- 0.60   1.905% *  0.3433% (0.92   0.02   0.02) =   0.007%
        T HA    GLU- 114 - QD1   LEU  115   6.65 +/- 0.49   4.766% *  0.1269% (0.34   0.02  19.72) =   0.007%
          HA    ALA  124 - QD1   LEU  115  14.39 +/- 0.62   0.044% *  0.3106% (0.84   0.02   0.02) =   0.000%
          HA    ALA   34 - QD1   LEU  115  19.23 +/- 0.28   0.008% *  0.2555% (0.69   0.02   0.02) =   0.000%
          HA    ASN   28 - QD1   LEU  115  20.76 +/- 0.51   0.005% *  0.3226% (0.87   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD1   LEU  115  19.53 +/- 0.48   0.007% *  0.1810% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD1   LEU  115  20.33 +/- 0.64   0.006% *  0.1529% (0.41   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD1   LEU  115  24.42 +/- 0.36   0.002% *  0.1148% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.65 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 = 230.3:
    * O T HB2   LEU  115 - QD1   LEU  115   2.35 +/- 0.11  97.189% * 98.7703% (1.00   6.00 230.30) =  99.991%  kept
          HG3   PRO   58 - QD1   LEU  115   4.72 +/- 0.64   2.389% *  0.3285% (1.00   0.02   0.02) =   0.008%
          QB    GLU- 114 - QD1   LEU  115   6.04 +/- 0.46   0.367% *  0.1016% (0.31   0.02  19.72) =   0.000%
          HB3   ARG+  54 - QD1   LEU  115   8.94 +/- 0.56   0.036% *  0.0915% (0.28   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU  115  11.14 +/- 0.74   0.010% *  0.1732% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD1   LEU  115  11.90 +/- 0.59   0.006% *  0.2636% (0.80   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   LEU  115  15.48 +/- 0.52   0.001% *  0.1476% (0.45   0.02   0.02) =   0.000%
          HB    ILE   19 - QD1   LEU  115  15.57 +/- 0.62   0.001% *  0.1236% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 0.783, support = 6.13, residual support = 230.3:
    * O T HG    LEU  115 - QD1   LEU  115   2.10 +/- 0.01  66.752% * 72.8797% (0.87   6.12 230.30) =  84.918%  kept
      O T HB3   LEU  115 - QD1   LEU  115   2.40 +/- 0.27  33.212% * 26.0152% (0.31   6.14 230.30) =  15.082%  kept
          QB    ALA  120 - QD1   LEU  115   8.13 +/- 0.40   0.022% *  0.2381% (0.87   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU  115  11.79 +/- 0.73   0.002% *  0.1665% (0.61   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  115  10.71 +/- 1.04   0.005% *  0.0611% (0.22   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   LEU  115  12.19 +/- 1.31   0.002% *  0.1128% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  115  11.20 +/- 0.62   0.003% *  0.0763% (0.28   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD1   LEU  115  15.03 +/- 0.40   0.001% *  0.2720% (0.99   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD1   LEU  115  13.44 +/- 0.33   0.001% *  0.0847% (0.31   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  115  16.69 +/- 0.56   0.000% *  0.0936% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 230.3:
    * O T QD2   LEU  115 - QD1   LEU  115   1.98 +/- 0.03  99.567% * 98.7875% (0.97   7.24 230.30) =  99.999%  kept
          QD1   LEU   63 - QD1   LEU  115   5.25 +/- 0.41   0.330% *  0.2676% (0.95   0.02   0.02) =   0.001%
          QD2   LEU   63 - QD1   LEU  115   6.43 +/- 0.47   0.100% *  0.1062% (0.38   0.02   0.02) =   0.000%
          QD1   LEU  104 - QD1   LEU  115  12.41 +/- 0.33   0.002% *  0.2162% (0.76   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD1   LEU  115  13.32 +/- 0.37   0.001% *  0.2676% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   LEU  115  15.56 +/- 0.49   0.000% *  0.2676% (0.95   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   LEU  115  15.76 +/- 0.69   0.000% *  0.0873% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1477 (4.12, 0.59, 23.43 ppm):
    9 chemical-shift based assignments, quality = 0.806, support = 7.57, residual support = 230.3:
    *   T HA    LEU  115 - QD2   LEU  115   2.93 +/- 0.15  98.244% * 98.4868% (0.81   7.57 230.30) =  99.998%  kept
        T HA    GLU- 114 - QD2   LEU  115   6.00 +/- 0.26   1.648% *  0.1062% (0.33   0.02  19.72) =   0.002%
        T HA    ARG+  54 - QD2   LEU  115   9.67 +/- 0.48   0.082% *  0.2874% (0.89   0.02   0.02) =   0.000%
          HA    ALA  124 - QD2   LEU  115  11.92 +/- 0.52   0.022% *  0.2601% (0.81   0.02   0.02) =   0.000%
          HA    ALA   34 - QD2   LEU  115  18.35 +/- 0.66   0.002% *  0.2139% (0.66   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD2   LEU  115  18.65 +/- 0.61   0.001% *  0.1515% (0.47   0.02   0.02) =   0.000%
          HA    ASN   28 - QD2   LEU  115  20.87 +/- 0.76   0.001% *  0.2701% (0.84   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD2   LEU  115  21.80 +/- 0.43   0.001% *  0.1280% (0.40   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD2   LEU  115  23.50 +/- 0.75   0.000% *  0.0961% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 1 structures by 0.02 A, kept.
 
    Peak 1478 (1.98, 0.59, 23.43 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 230.3:
    * O T HB2   LEU  115 - QD2   LEU  115   3.08 +/- 0.31  95.615% * 98.9784% (0.97   7.24 230.30) =  99.991%  kept
          HG3   PRO   58 - QD2   LEU  115   6.05 +/- 0.65   2.358% *  0.2729% (0.96   0.02   0.02) =   0.007%
          QB    GLU- 114 - QD2   LEU  115   6.06 +/- 0.22   1.827% *  0.0844% (0.30   0.02  19.72) =   0.002%
          HB2   LEU   67 - QD2   LEU  115  10.49 +/- 0.64   0.076% *  0.2190% (0.77   0.02   0.02) =   0.000%
          HB    VAL   18 - QD2   LEU  115  11.08 +/- 0.86   0.056% *  0.1439% (0.51   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  115  11.09 +/- 0.44   0.049% *  0.0761% (0.27   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD2   LEU  115  13.98 +/- 0.55   0.013% *  0.1226% (0.43   0.02   0.02) =   0.000%
          HB    ILE   19 - QD2   LEU  115  15.51 +/- 0.62   0.007% *  0.1027% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 0.772, support = 7.33, residual support = 230.3:
    * O T HG    LEU  115 - QD2   LEU  115   2.09 +/- 0.01  71.952% * 73.0330% (0.84   7.33 230.30) =  87.856%  kept
      O T HB3   LEU  115 - QD2   LEU  115   2.50 +/- 0.30  27.892% * 26.0419% (0.30   7.35 230.30) =  12.144%  kept
          QB    ALA  120 - QD2   LEU  115   6.09 +/- 0.22   0.123% *  0.1993% (0.84   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  115   8.69 +/- 1.00   0.018% *  0.0511% (0.21   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU  115  10.53 +/- 1.35   0.006% *  0.0944% (0.40   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  115  10.65 +/- 0.87   0.004% *  0.0639% (0.27   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD2   LEU  115  13.53 +/- 0.77   0.001% *  0.2277% (0.96   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  115  12.45 +/- 0.61   0.002% *  0.1393% (0.59   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD2   LEU  115  12.12 +/- 0.70   0.002% *  0.0709% (0.30   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  115  17.04 +/- 0.51   0.000% *  0.0784% (0.33   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 230.3:
    * O T QD1   LEU  115 - QD2   LEU  115   1.98 +/- 0.03  99.998% * 99.7393% (0.97   7.24 230.30) = 100.000%  kept
          QG1   VAL   75 - QD2   LEU  115  12.35 +/- 0.72   0.002% *  0.2607% (0.91   0.02   0.02) =   0.000%
    Distance limit 2.52 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 = 5.0, residual support = 115.5:
    * O T HB2   GLN  116 - HA    GLN  116   2.98 +/- 0.02  99.908% * 98.7527% (1.00   5.00 115.52) = 100.000%  kept
          HB2   PRO   58 - HA    GLN  116   9.89 +/- 0.54   0.080% *  0.2236% (0.57   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLN  116  13.54 +/- 0.25   0.012% *  0.3812% (0.97   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLN  116  23.45 +/- 0.46   0.000% *  0.3872% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN  116  23.92 +/- 0.76   0.000% *  0.1771% (0.45   0.02   0.02) =   0.000%
        T QG    GLN   32 - HA    GLN  116  26.69 +/- 0.76   0.000% *  0.0782% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1484 (2.54, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.95, residual support = 115.5:
    * O T HG2   GLN  116 - HA    GLN  116   2.22 +/- 0.11  99.988% * 99.4894% (1.00   4.95 115.52) = 100.000%  kept
          HB3   PHE   95 - HA    GLN  116  10.08 +/- 0.28   0.012% *  0.3987% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    GLN  116  33.54 +/- 0.63   0.000% *  0.1119% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1485 (4.01, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 115.5:
    * O T HA    GLN  116 - HB2   GLN  116   2.98 +/- 0.02  99.996% * 98.1081% (1.00   5.00 115.52) = 100.000%  kept
          HA    VAL   70 - HB2   GLN  116  21.17 +/- 0.54   0.001% *  0.3924% (1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLN  116  20.08 +/- 0.52   0.001% *  0.2696% (0.69   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLN  116  22.48 +/- 1.04   0.001% *  0.0979% (0.25   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   GLN  116  21.60 +/- 0.69   0.001% *  0.0777% (0.20   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   GLN  116  30.25 +/- 0.50   0.000% *  0.3404% (0.87   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   GLN  116  28.37 +/- 0.78   0.000% *  0.1910% (0.49   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   GLN  116  32.13 +/- 0.59   0.000% *  0.2850% (0.73   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLN  116  31.92 +/- 0.70   0.000% *  0.2380% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 5.08, residual support = 115.5:
    * O T HG2   GLN  116 - HB2   GLN  116   2.75 +/- 0.07  99.983% * 99.5027% (1.00   5.08 115.52) = 100.000%  kept
          HB3   PHE   95 - HB2   GLN  116  11.74 +/- 0.24   0.017% *  0.3884% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   GLN  116  35.42 +/- 0.57   0.000% *  0.1089% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.14 A, kept.
 
    Peak 1488 (4.01, 2.54, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.95, residual support = 115.5:
    * O T HA    GLN  116 - HG2   GLN  116   2.22 +/- 0.11  99.999% * 98.0879% (1.00   4.95 115.52) = 100.000%  kept
          HA    VAL   18 - HG2   GLN  116  18.33 +/- 0.66   0.000% *  0.2724% (0.69   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   GLN  116  20.06 +/- 0.64   0.000% *  0.3966% (1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   GLN  116  19.62 +/- 0.85   0.000% *  0.0785% (0.20   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLN  116  21.06 +/- 1.37   0.000% *  0.0989% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   GLN  116  29.29 +/- 0.60   0.000% *  0.3440% (0.87   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   GLN  116  27.45 +/- 0.80   0.000% *  0.1931% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   GLN  116  31.13 +/- 0.70   0.000% *  0.2880% (0.73   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLN  116  31.33 +/- 0.72   0.000% *  0.2406% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 5.08, residual support = 115.5:
    * O T HB2   GLN  116 - HG2   GLN  116   2.75 +/- 0.07  99.902% * 98.7718% (1.00   5.08 115.52) = 100.000%  kept
          HB2   PRO   58 - HG2   GLN  116   8.91 +/- 0.73   0.094% *  0.2202% (0.57   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   GLN  116  15.45 +/- 0.23   0.003% *  0.3754% (0.97   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   GLN  116  25.49 +/- 0.44   0.000% *  0.3813% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLN  116  24.07 +/- 0.88   0.000% *  0.1744% (0.45   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLN  116  27.98 +/- 0.81   0.000% *  0.0770% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.15 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 = 1.65, residual support = 15.0:
    * O T QB    SER  117 - HA    SER  117   2.42 +/- 0.10  99.219% * 94.8568% (1.00   1.65  14.98) =  99.994%  kept
          HA    LYS+ 121 - HA    SER  117   6.39 +/- 0.27   0.303% *  0.9612% (0.84   0.02   0.02) =   0.003%
          HA    ALA  120 - HA    SER  117   5.92 +/- 0.08   0.472% *  0.4731% (0.41   0.02   5.15) =   0.002%
          HA    PHE   60 - HA    SER  117  12.86 +/- 0.23   0.005% *  0.6980% (0.61   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER  117  16.32 +/- 0.21   0.001% *  0.8794% (0.76   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER  117  22.73 +/- 0.54   0.000% *  1.0320% (0.90   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    SER  117  24.33 +/- 0.59   0.000% *  0.7444% (0.65   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER  117  22.35 +/- 0.57   0.000% *  0.1776% (0.15   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER  117  29.59 +/- 0.27   0.000% *  0.1776% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 1.65, residual support = 15.0:
    * O T HA    SER  117 - QB    SER  117   2.42 +/- 0.10  99.942% * 96.3793% (1.00   1.65  14.98) = 100.000%  kept
          HA    ASP-  62 - QB    SER  117  13.91 +/- 0.43   0.003% *  0.6620% (0.57   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   48   9.28 +/- 0.54   0.034% *  0.0469% (0.04   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  11.33 +/- 1.02   0.012% *  0.1141% (0.10   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  14.23 +/- 0.31   0.003% *  0.4388% (0.38   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   48  14.67 +/- 0.82   0.002% *  0.2435% (0.21   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   85  14.00 +/- 0.33   0.003% *  0.1445% (0.12   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   48  18.77 +/- 1.18   0.001% *  0.1722% (0.15   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  19.49 +/- 0.67   0.000% *  0.1804% (0.15   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER  117  27.57 +/- 0.33   0.000% *  0.9362% (0.80   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   48  24.33 +/- 0.59   0.000% *  0.3041% (0.26   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  20.59 +/- 0.35   0.000% *  0.0677% (0.06   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  19.83 +/- 0.48   0.000% *  0.0278% (0.02   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   85  29.59 +/- 0.27   0.000% *  0.1804% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   85  27.35 +/- 0.27   0.000% *  0.1021% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1494 (3.93, 3.93, 63.04 ppm):
    3 diagonal assignments:
    *     QB    SER  117 - QB    SER  117  (1.00)  kept
          QB    SER   48 - QB    SER   48  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.02)  kept
 
    Peak 1497 (3.69, 3.69, 66.88 ppm):
    1 diagonal assignment:
    *     HA    ILE  119 - HA    ILE  119  (1.00)  kept
 
    Peak 1498 (2.03, 3.69, 66.88 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.47, residual support = 246.7:
    * O T HB    ILE  119 - HA    ILE  119   3.00 +/- 0.02  99.927% * 97.6871% (0.87   6.47 246.70) = 100.000%  kept
          HB2   LYS+ 111 - HA    ILE  119  11.59 +/- 0.44   0.031% *  0.1695% (0.49   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ILE  119  13.37 +/- 0.51   0.013% *  0.2253% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ILE  119  14.22 +/- 0.53   0.009% *  0.2789% (0.80   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    ILE  119  14.84 +/- 0.28   0.007% *  0.0968% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    ILE  119  17.03 +/- 0.27   0.003% *  0.1972% (0.57   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ILE  119  16.60 +/- 0.64   0.004% *  0.1432% (0.41   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ILE  119  17.09 +/- 0.75   0.003% *  0.1432% (0.41   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ILE  119  19.93 +/- 0.41   0.001% *  0.3215% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ILE  119  19.76 +/- 0.54   0.001% *  0.3021% (0.87   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ILE  119  21.47 +/- 0.80   0.001% *  0.3483% (1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ILE  119  29.48 +/- 0.50   0.000% *  0.0868% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1499 (0.96, 3.69, 66.88 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.79, residual support = 246.7:
    * O T QG2   ILE  119 - HA    ILE  119   2.51 +/- 0.13  99.107% * 99.1701% (1.00   6.79 246.70) =  99.999%  kept
          QD1   LEU   67 - HA    ILE  119   6.22 +/- 1.61   0.817% *  0.0578% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    ILE  119   8.89 +/- 0.42   0.054% *  0.0512% (0.18   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    ILE  119  13.50 +/- 0.50   0.004% *  0.2764% (0.95   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    ILE  119  11.17 +/- 0.36   0.014% *  0.0813% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  119  14.29 +/- 0.38   0.003% *  0.2535% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  119  16.50 +/- 0.83   0.001% *  0.1097% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 6.27, residual support = 246.7:
    * O T HG12  ILE  119 - HA    ILE  119   3.19 +/- 0.48  99.393% * 98.2552% (1.00   6.27 246.70) =  99.999%  kept
          HB2   ASP- 105 - HA    ILE  119   8.05 +/- 0.42   0.504% *  0.0968% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ILE  119  12.32 +/- 0.52   0.041% *  0.2396% (0.76   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ILE  119  12.04 +/- 0.36   0.047% *  0.2029% (0.65   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    ILE  119  16.51 +/- 0.96   0.007% *  0.1650% (0.53   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ILE  119  20.13 +/- 0.92   0.002% *  0.2154% (0.69   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    ILE  119  20.86 +/- 1.13   0.002% *  0.2154% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ILE  119  23.40 +/- 0.58   0.001% *  0.2619% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ILE  119  25.48 +/- 0.66   0.001% *  0.2511% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ILE  119  22.01 +/- 0.67   0.001% *  0.0484% (0.15   0.02   0.02) =   0.000%
          QB    MET   11 - HA    ILE  119  25.90 +/- 2.04   0.000% *  0.0484% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 5.87, residual support = 246.7:
    * O T HG13  ILE  119 - HA    ILE  119   2.43 +/- 0.17  99.012% * 98.9080% (1.00   5.87 246.70) =  99.999%  kept
          QG1   VAL  107 - HA    ILE  119   5.64 +/- 0.18   0.675% *  0.0520% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ILE  119   7.38 +/- 0.09   0.137% *  0.1041% (0.31   0.02   0.71) =   0.000%
          QG2   VAL  107 - HA    ILE  119   7.26 +/- 0.21   0.155% *  0.0520% (0.15   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ILE  119  10.74 +/- 0.90   0.018% *  0.1774% (0.53   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    ILE  119  16.94 +/- 0.47   0.001% *  0.2316% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    ILE  119  21.22 +/- 0.86   0.000% *  0.3364% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    ILE  119  21.95 +/- 1.07   0.000% *  0.1386% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1502 (1.02, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.964, support = 0.02, residual support = 246.3:
    *   T QD1   ILE  119 - HA    ILE  119   3.43 +/- 0.26  99.780% * 34.1796% (0.97   0.02 246.70) =  99.848%  kept
          HB2   LEU  104 - HA    ILE  119  10.41 +/- 0.36   0.140% * 25.7178% (0.73   0.02   0.02) =   0.106%
          QG2   VAL  108 - HA    ILE  119  11.63 +/- 0.43   0.073% * 20.0513% (0.57   0.02   0.02) =   0.043%
        T HB    VAL   75 - HA    ILE  119  17.32 +/- 0.85   0.007% * 20.0513% (0.57   0.02   0.02) =   0.004%
    Distance limit 3.32 A violated in 8 structures by 0.17 A, eliminated.
    Peak unassigned.
 
    Peak 1503 (3.69, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.47, residual support = 246.7:
    * O T HA    ILE  119 - HB    ILE  119   3.00 +/- 0.02  97.822% * 98.8522% (0.87   6.47 246.70) =  99.993%  kept
        T HA    THR  118 - HB    ILE  119   5.67 +/- 0.11   2.171% *  0.2950% (0.84   0.02  34.05) =   0.007%
          HA2   GLY  109 - HB    ILE  119  15.21 +/- 0.39   0.006% *  0.2220% (0.63   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    ILE  119  25.77 +/- 0.58   0.000% *  0.3030% (0.86   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    ILE  119  26.42 +/- 0.32   0.000% *  0.2742% (0.78   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    ILE  119  20.95 +/- 0.39   0.001% *  0.0535% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 246.7:
    * O T QG2   ILE  119 - HB    ILE  119   2.12 +/- 0.01  99.957% * 99.1085% (0.87   6.31 246.70) = 100.000%  kept
          QD1   LEU   67 - HB    ILE  119   8.52 +/- 1.46   0.035% *  0.0621% (0.17   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  119  11.35 +/- 0.40   0.004% *  0.0550% (0.15   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB    ILE  119  15.38 +/- 0.53   0.001% *  0.2970% (0.82   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB    ILE  119  12.98 +/- 0.34   0.002% *  0.0873% (0.24   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  119  16.52 +/- 0.43   0.000% *  0.2723% (0.75   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  119  18.07 +/- 0.84   0.000% *  0.1178% (0.33   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 5.8, residual support = 246.7:
    * O T HG12  ILE  119 - HB    ILE  119   2.35 +/- 0.16  99.974% * 98.1172% (0.87   5.80 246.70) = 100.000%  kept
          HB2   ASP- 105 - HB    ILE  119   9.91 +/- 0.39   0.020% *  0.1044% (0.27   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB    ILE  119  13.83 +/- 0.37   0.003% *  0.2189% (0.56   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB    ILE  119  14.72 +/- 0.59   0.002% *  0.2586% (0.66   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB    ILE  119  18.53 +/- 0.92   0.000% *  0.1780% (0.46   0.02   0.02) =   0.000%
          HG3   MET   92 - HB    ILE  119  20.85 +/- 1.09   0.000% *  0.2324% (0.60   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB    ILE  119  22.64 +/- 1.17   0.000% *  0.2324% (0.60   0.02   0.02) =   0.000%
          QG    GLN   90 - HB    ILE  119  24.24 +/- 0.52   0.000% *  0.2826% (0.72   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB    ILE  119  28.14 +/- 0.69   0.000% *  0.2709% (0.69   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB    ILE  119  23.47 +/- 0.68   0.000% *  0.0522% (0.13   0.02   0.02) =   0.000%
          QB    MET   11 - HB    ILE  119  27.63 +/- 2.08   0.000% *  0.0522% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 246.7:
    * O T HG13  ILE  119 - HB    ILE  119   2.95 +/- 0.07  98.402% * 98.8234% (0.87   5.44 246.70) =  99.999%  kept
        T QG1   VAL  107 - HB    ILE  119   6.57 +/- 0.33   0.878% *  0.0560% (0.13   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HB    ILE  119   8.84 +/- 0.86   0.166% *  0.1911% (0.46   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    ILE  119   8.41 +/- 0.21   0.187% *  0.1121% (0.27   0.02   0.71) =   0.000%
        T QG2   VAL  107 - HB    ILE  119   7.60 +/- 0.35   0.364% *  0.0560% (0.13   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    ILE  119  18.46 +/- 0.55   0.002% *  0.2495% (0.60   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    ILE  119  24.03 +/- 0.84   0.000% *  0.3624% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    ILE  119  23.87 +/- 1.10   0.000% *  0.1493% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 246.7:
    * O T QD1   ILE  119 - HB    ILE  119   2.60 +/- 0.27  99.980% * 99.2972% (0.84   5.44 246.70) = 100.000%  kept
        T QG2   VAL  108 - HB    ILE  119  12.09 +/- 0.69   0.012% *  0.2141% (0.49   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    ILE  119  13.08 +/- 0.32   0.007% *  0.2746% (0.63   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  119  19.29 +/- 0.87   0.001% *  0.2141% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1509 (3.69, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.79, residual support = 246.7:
    * O T HA    ILE  119 - QG2   ILE  119   2.51 +/- 0.13  99.445% * 98.9057% (1.00   6.79 246.70) =  99.998%  kept
        T HA    THR  118 - QG2   ILE  119   6.04 +/- 0.07   0.550% *  0.2813% (0.97   0.02  34.05) =   0.002%
          HA2   GLY  109 - QG2   ILE  119  14.06 +/- 0.29   0.003% *  0.2116% (0.73   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   ILE  119  21.92 +/- 0.51   0.000% *  0.2889% (0.99   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   ILE  119  22.53 +/- 0.50   0.000% *  0.2614% (0.90   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   ILE  119  17.32 +/- 0.60   0.001% *  0.0510% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 246.7:
    * O T HB    ILE  119 - QG2   ILE  119   2.12 +/- 0.01  99.982% * 97.6325% (0.87   6.31 246.70) = 100.000%  kept
          HB3   PRO   68 - QG2   ILE  119  11.64 +/- 0.76   0.004% *  0.2855% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE  119  10.73 +/- 0.31   0.006% *  0.1735% (0.49   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   ILE  119  12.90 +/- 0.53   0.002% *  0.2306% (0.65   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   ILE  119  13.84 +/- 0.35   0.001% *  0.2018% (0.57   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   ILE  119  13.97 +/- 0.86   0.001% *  0.1466% (0.41   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE  119  14.44 +/- 0.78   0.001% *  0.1466% (0.41   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   ILE  119  13.47 +/- 0.44   0.002% *  0.0991% (0.28   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   ILE  119  17.96 +/- 0.75   0.000% *  0.3093% (0.87   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   ILE  119  18.59 +/- 0.43   0.000% *  0.3291% (0.92   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   ILE  119  19.26 +/- 0.89   0.000% *  0.3565% (1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE  119  26.15 +/- 0.69   0.000% *  0.0889% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 6.11, residual support = 246.7:
    * O T HG12  ILE  119 - QG2   ILE  119   3.12 +/- 0.10  99.719% * 98.2115% (1.00   6.11 246.70) = 100.000%  kept
          HB2   ASP- 105 - QG2   ILE  119   9.16 +/- 0.32   0.165% *  0.0992% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   72 - QG2   ILE  119  11.27 +/- 0.75   0.048% *  0.2456% (0.76   0.02   0.02) =   0.000%
          HB2   ASP-  44 - QG2   ILE  119  11.38 +/- 0.65   0.045% *  0.2079% (0.65   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE  119  14.04 +/- 0.86   0.013% *  0.1691% (0.53   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE  119  17.50 +/- 1.15   0.003% *  0.2208% (0.69   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   ILE  119  18.36 +/- 1.03   0.003% *  0.2208% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   ILE  119  20.85 +/- 0.66   0.001% *  0.2685% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   ILE  119  22.75 +/- 0.74   0.001% *  0.2574% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   ILE  119  19.53 +/- 0.75   0.002% *  0.0496% (0.15   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE  119  21.47 +/- 1.72   0.001% *  0.0496% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1513 (1.12, 0.96, 17.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 246.7:
    * O T HG13  ILE  119 - QG2   ILE  119   2.72 +/- 0.23  98.772% * 98.8855% (1.00   5.75 246.70) =  99.999%  kept
          QG1   VAL  107 - QG2   ILE  119   6.48 +/- 0.20   0.628% *  0.0531% (0.15   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   ILE  119   8.34 +/- 0.70   0.147% *  0.1810% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   ILE  119   7.84 +/- 0.14   0.185% *  0.1062% (0.31   0.02   0.71) =   0.000%
          QG2   VAL  107 - QG2   ILE  119   7.47 +/- 0.20   0.261% *  0.0531% (0.15   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   ILE  119  14.77 +/- 0.67   0.005% *  0.2363% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   ILE  119  19.70 +/- 0.92   0.001% *  0.3433% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   ILE  119  19.85 +/- 0.91   0.001% *  0.1414% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 246.7:
    *   T QD1   ILE  119 - QG2   ILE  119   1.84 +/- 0.24  99.994% * 99.3344% (0.97   5.75 246.70) = 100.000%  kept
          HB2   LEU  104 - QG2   ILE  119  10.97 +/- 0.36   0.003% *  0.2601% (0.73   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   ILE  119  11.37 +/- 0.45   0.002% *  0.2028% (0.57   0.02   0.02) =   0.000%
          HB    VAL   75 - QG2   ILE  119  16.14 +/- 0.93   0.000% *  0.2028% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 1 structures by 0.02 A, kept.
 
    Peak 1515 (3.69, 2.26, 30.83 ppm):
    6 chemical-shift based assignments, quality = 0.999, support = 6.24, residual support = 241.0:
    * O T HA    ILE  119 - HG12  ILE  119   3.19 +/- 0.48  96.685% * 55.0144% (1.00   6.27 246.70) =  97.322%  kept
        T HA    THR  118 - HG12  ILE  119   5.80 +/- 0.15   3.289% * 44.4959% (0.97   5.25  34.05) =   2.677%  kept
          HA2   GLY  109 - HG12  ILE  119  13.43 +/- 0.42   0.023% *  0.1275% (0.73   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG12  ILE  119  23.60 +/- 0.58   0.001% *  0.1740% (0.99   0.02   0.02) =   0.000%
          HA    ALA   84 - HG12  ILE  119  24.43 +/- 0.49   0.001% *  0.1575% (0.90   0.02   0.02) =   0.000%
          HA    VAL   75 - HG12  ILE  119  19.02 +/- 0.64   0.003% *  0.0307% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 5.8, residual support = 246.7:
    * O T HB    ILE  119 - HG12  ILE  119   2.35 +/- 0.16  99.963% * 97.4278% (0.87   5.80 246.70) = 100.000%  kept
          HB2   LYS+ 111 - HG12  ILE  119   9.55 +/- 0.61   0.023% *  0.1885% (0.49   0.02   0.02) =   0.000%
          HB    VAL  108 - HG12  ILE  119  12.24 +/- 0.76   0.005% *  0.2506% (0.65   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG12  ILE  119  14.64 +/- 0.32   0.002% *  0.2193% (0.57   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG12  ILE  119  13.23 +/- 0.49   0.003% *  0.1077% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE  119  16.11 +/- 0.58   0.001% *  0.3102% (0.80   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE  119  17.15 +/- 0.92   0.001% *  0.1592% (0.41   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE  119  18.56 +/- 1.05   0.001% *  0.1592% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG12  ILE  119  21.25 +/- 0.86   0.000% *  0.3360% (0.87   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG12  ILE  119  22.81 +/- 1.18   0.000% *  0.3873% (1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG12  ILE  119  22.66 +/- 0.71   0.000% *  0.3576% (0.92   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE  119  30.32 +/- 0.81   0.000% *  0.0966% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 6.11, residual support = 246.7:
    * O T QG2   ILE  119 - HG12  ILE  119   3.12 +/- 0.10  99.458% * 99.0792% (1.00   6.11 246.70) = 100.000%  kept
          QD1   LEU   67 - HG12  ILE  119   8.31 +/- 1.41   0.435% *  0.0642% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG12  ILE  119  11.01 +/- 0.60   0.058% *  0.0568% (0.18   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG12  ILE  119  14.60 +/- 0.68   0.010% *  0.3067% (0.95   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG12  ILE  119  12.45 +/- 0.52   0.027% *  0.0902% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG12  ILE  119  15.83 +/- 0.68   0.006% *  0.2813% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  119  16.14 +/- 0.95   0.006% *  0.1217% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.10 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 = 5.35, residual support = 246.7:
    * O T HG13  ILE  119 - HG12  ILE  119   1.75 +/- 0.00  99.786% * 98.8038% (1.00   5.35 246.70) = 100.000%  kept
          QG1   VAL  107 - HG12  ILE  119   5.38 +/- 0.40   0.134% *  0.0570% (0.15   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG12  ILE  119   7.65 +/- 0.93   0.020% *  0.1943% (0.53   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  119   6.18 +/- 0.35   0.056% *  0.0570% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HG12  ILE  119   9.27 +/- 0.24   0.005% *  0.1140% (0.31   0.02   0.71) =   0.000%
          QB    ALA   20 - HG12  ILE  119  17.01 +/- 0.70   0.000% *  0.2537% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   31 - HG12  ILE  119  22.86 +/- 0.94   0.000% *  0.3685% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HG12  ILE  119  22.42 +/- 1.24   0.000% *  0.1518% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.63 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 = 5.35, residual support = 246.7:
    * O T QD1   ILE  119 - HG12  ILE  119   2.15 +/- 0.01  99.992% * 99.2853% (0.97   5.35 246.70) = 100.000%  kept
          QG2   VAL  108 - HG12  ILE  119  11.11 +/- 0.62   0.006% *  0.2177% (0.57   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG12  ILE  119  12.84 +/- 0.58   0.002% *  0.2792% (0.73   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  119  17.39 +/- 0.91   0.000% *  0.2177% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 5.87, residual support = 246.7:
    * O T HA    ILE  119 - HG13  ILE  119   2.43 +/- 0.17  99.373% * 98.7365% (1.00   5.87 246.70) =  99.998%  kept
        T HA    THR  118 - HG13  ILE  119   5.92 +/- 0.68   0.623% *  0.3248% (0.97   0.02  34.05) =   0.002%
          HA2   GLY  109 - HG13  ILE  119  13.96 +/- 0.80   0.003% *  0.2444% (0.73   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG13  ILE  119  23.70 +/- 0.54   0.000% *  0.3336% (0.99   0.02   0.02) =   0.000%
          HA    VAL   75 - HG13  ILE  119  18.33 +/- 0.51   0.001% *  0.0589% (0.18   0.02   0.02) =   0.000%
          HA    ALA   84 - HG13  ILE  119  24.13 +/- 0.65   0.000% *  0.3018% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1522 (2.03, 1.12, 30.83 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 5.44, residual support = 246.7:
    * O T HB    ILE  119 - HG13  ILE  119   2.95 +/- 0.07  99.892% * 97.2632% (0.87   5.44 246.70) = 100.000%  kept
          HB2   LYS+ 111 - HG13  ILE  119  10.50 +/- 1.02   0.057% *  0.2006% (0.49   0.02   0.02) =   0.000%
          HB    VAL  108 - HG13  ILE  119  12.85 +/- 1.10   0.017% *  0.2666% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE  119  14.81 +/- 0.58   0.007% *  0.3300% (0.80   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG13  ILE  119  14.88 +/- 0.27   0.006% *  0.2333% (0.57   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG13  ILE  119  13.32 +/- 0.59   0.012% *  0.1146% (0.28   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG13  ILE  119  16.03 +/- 0.80   0.004% *  0.1694% (0.41   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE  119  17.38 +/- 0.97   0.003% *  0.1694% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG13  ILE  119  20.07 +/- 0.64   0.001% *  0.3575% (0.87   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG13  ILE  119  21.64 +/- 0.93   0.001% *  0.4121% (1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG13  ILE  119  21.69 +/- 0.45   0.001% *  0.3804% (0.92   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE  119  29.36 +/- 0.58   0.000% *  0.1028% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 246.7:
    * O T QG2   ILE  119 - HG13  ILE  119   2.72 +/- 0.23  99.471% * 99.0216% (1.00   5.75 246.70) = 100.000%  kept
          QD1   LEU   67 - HG13  ILE  119   7.20 +/- 1.29   0.455% *  0.0682% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG13  ILE  119  10.13 +/- 0.44   0.044% *  0.0603% (0.18   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG13  ILE  119  14.20 +/- 0.73   0.006% *  0.3259% (0.95   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG13  ILE  119  12.10 +/- 0.57   0.016% *  0.0958% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG13  ILE  119  14.73 +/- 0.44   0.004% *  0.2989% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  119  15.42 +/- 0.91   0.004% *  0.1293% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.06 A, kept.
 
    Peak 1524 (2.26, 1.12, 30.83 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.35, residual support = 246.7:
    * O T HG12  ILE  119 - HG13  ILE  119   1.75 +/- 0.00  99.992% * 97.9626% (1.00   5.35 246.70) = 100.000%  kept
          HB2   ASP- 105 - HG13  ILE  119   9.23 +/- 0.69   0.005% *  0.1130% (0.31   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG13  ILE  119  11.20 +/- 0.53   0.002% *  0.2369% (0.65   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG13  ILE  119  12.28 +/- 0.61   0.001% *  0.2798% (0.76   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG13  ILE  119  16.84 +/- 0.98   0.000% *  0.1926% (0.53   0.02   0.02) =   0.000%
          HG3   MET   92 - HG13  ILE  119  19.01 +/- 1.45   0.000% *  0.2515% (0.69   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG13  ILE  119  20.73 +/- 1.07   0.000% *  0.2515% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - HG13  ILE  119  22.37 +/- 0.88   0.000% *  0.3058% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG13  ILE  119  25.66 +/- 0.73   0.000% *  0.2932% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG13  ILE  119  20.88 +/- 0.70   0.000% *  0.0565% (0.15   0.02   0.02) =   0.000%
          QB    MET   11 - HG13  ILE  119  26.15 +/- 2.29   0.000% *  0.0565% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.69 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 = 246.7:
    * O T QD1   ILE  119 - HG13  ILE  119   2.16 +/- 0.01  99.991% * 99.2356% (0.97   5.00 246.70) = 100.000%  kept
          QG2   VAL  108 - HG13  ILE  119  11.47 +/- 0.93   0.005% *  0.2329% (0.57   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG13  ILE  119  12.03 +/- 0.48   0.003% *  0.2987% (0.73   0.02   0.02) =   0.000%
          HB    VAL   75 - HG13  ILE  119  16.76 +/- 0.97   0.000% *  0.2329% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1527 (3.69, 1.02, 16.06 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.87, residual support = 246.7:
    *   T HA    ILE  119 - QD1   ILE  119   3.43 +/- 0.26  97.505% * 98.7365% (0.97   5.87 246.70) =  99.992%  kept
          HA    THR  118 - QD1   ILE  119   6.47 +/- 0.27   2.421% *  0.3248% (0.93   0.02  34.05) =   0.008%
          HA2   GLY  109 - QD1   ILE  119  12.03 +/- 0.37   0.058% *  0.2444% (0.70   0.02   0.02) =   0.000%
          HB2   TRP   49 - QD1   ILE  119  19.42 +/- 0.46   0.003% *  0.3336% (0.96   0.02   0.02) =   0.000%
          HA    ALA   84 - QD1   ILE  119  20.76 +/- 0.50   0.002% *  0.3018% (0.87   0.02   0.02) =   0.000%
        T HA    VAL   75 - QD1   ILE  119  15.80 +/- 0.62   0.011% *  0.0589% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 246.7:
    * O T HB    ILE  119 - QD1   ILE  119   2.60 +/- 0.27  99.853% * 97.2632% (0.84   5.44 246.70) = 100.000%  kept
          HB2   LYS+ 111 - QD1   ILE  119   9.01 +/- 0.42   0.066% *  0.2006% (0.47   0.02   0.02) =   0.000%
        T HB    VAL  108 - QD1   ILE  119  11.52 +/- 0.52   0.016% *  0.2666% (0.62   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE  119  12.52 +/- 0.91   0.012% *  0.3300% (0.77   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QD1   ILE  119  11.34 +/- 0.26   0.017% *  0.2333% (0.55   0.02   0.02) =   0.000%
          HB2   PRO   93 - QD1   ILE  119  11.10 +/- 0.41   0.020% *  0.1146% (0.27   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   ILE  119  13.24 +/- 0.93   0.008% *  0.1694% (0.40   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   ILE  119  14.71 +/- 0.85   0.004% *  0.1694% (0.40   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD1   ILE  119  17.61 +/- 0.85   0.001% *  0.3575% (0.84   0.02   0.02) =   0.000%
          HG3   GLN   30 - QD1   ILE  119  18.79 +/- 0.99   0.001% *  0.4121% (0.97   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD1   ILE  119  19.66 +/- 0.51   0.001% *  0.3804% (0.89   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE  119  25.21 +/- 0.77   0.000% *  0.1028% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1529 (0.96, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.75, residual support = 246.7:
    *   T QG2   ILE  119 - QD1   ILE  119   1.84 +/- 0.24  99.914% * 99.0216% (0.97   5.75 246.70) = 100.000%  kept
          QD1   LEU   67 - QD1   ILE  119   6.77 +/- 1.08   0.073% *  0.0682% (0.19   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   ILE  119   9.72 +/- 0.52   0.007% *  0.0603% (0.17   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   ILE  119  13.15 +/- 0.56   0.001% *  0.3259% (0.91   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD1   ILE  119  12.86 +/- 0.65   0.001% *  0.2989% (0.84   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   ILE  119  11.47 +/- 0.32   0.003% *  0.0958% (0.27   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   ILE  119  12.92 +/- 0.84   0.001% *  0.1293% (0.36   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 1 structures by 0.02 A, kept.
 
    Peak 1530 (2.26, 1.02, 16.06 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.35, residual support = 246.7:
    * O T HG12  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  99.962% * 97.9626% (0.97   5.35 246.70) = 100.000%  kept
          HB2   ASP-  44 - QD1   ILE  119   9.79 +/- 0.63   0.012% *  0.2369% (0.62   0.02   0.02) =   0.000%
          HB3   PHE   72 - QD1   ILE  119  10.75 +/- 0.82   0.007% *  0.2798% (0.74   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QD1   ILE  119   9.38 +/- 0.35   0.015% *  0.1130% (0.30   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD1   ILE  119  14.31 +/- 0.87   0.001% *  0.1926% (0.51   0.02   0.02) =   0.000%
          HG3   MET   92 - QD1   ILE  119  16.27 +/- 1.10   0.001% *  0.2515% (0.66   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD1   ILE  119  17.30 +/- 1.26   0.000% *  0.2515% (0.66   0.02   0.02) =   0.000%
          QG    GLN   90 - QD1   ILE  119  18.93 +/- 0.59   0.000% *  0.3058% (0.81   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD1   ILE  119  22.19 +/- 0.80   0.000% *  0.2932% (0.77   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QD1   ILE  119  17.59 +/- 0.78   0.000% *  0.0565% (0.15   0.02   0.02) =   0.000%
          QB    MET   11 - QD1   ILE  119  21.87 +/- 1.71   0.000% *  0.0565% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.78 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 = 246.7:
    * O T HG13  ILE  119 - QD1   ILE  119   2.16 +/- 0.01  99.118% * 98.7209% (0.97   5.00 246.70) =  99.999%  kept
          HD3   LYS+ 112 - QD1   ILE  119   6.12 +/- 0.85   0.301% *  0.2078% (0.51   0.02   0.02) =   0.001%
          QG1   VAL  107 - QD1   ILE  119   5.58 +/- 0.26   0.346% *  0.0609% (0.15   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   ILE  119   6.04 +/- 0.30   0.217% *  0.0609% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   ILE  119   9.18 +/- 0.22   0.017% *  0.1219% (0.30   0.02   0.71) =   0.000%
          QB    ALA   20 - QD1   ILE  119  13.63 +/- 0.69   0.002% *  0.2712% (0.66   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD1   ILE  119  19.44 +/- 0.99   0.000% *  0.3940% (0.96   0.02   0.02) =   0.000%
          QG1   VAL   24 - QD1   ILE  119  18.88 +/- 0.97   0.000% *  0.1623% (0.40   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1532 (1.02, 1.02, 16.06 ppm):
    1 diagonal assignment:
    *     QD1   ILE  119 - QD1   ILE  119  (0.93)  kept
 
    Peak 1533 (3.95, 3.95, 55.35 ppm):
    1 diagonal assignment:
    *     HA    ALA  120 - HA    ALA  120  (1.00)  kept
 
    Peak 1534 (1.48, 3.95, 55.35 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.29, residual support = 11.8:
    * O T QB    ALA  120 - HA    ALA  120   2.14 +/- 0.01  99.892% * 96.1177% (0.95   2.29  11.84) = 100.000%  kept
        T HD2   LYS+ 121 - HA    ALA  120   7.38 +/- 0.93   0.078% *  0.1368% (0.15   0.02   2.28) =   0.000%
          HG    LEU  115 - HA    ALA  120  10.31 +/- 0.49   0.009% *  0.8384% (0.95   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ALA  120  10.48 +/- 1.82   0.010% *  0.4663% (0.53   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA  120  10.71 +/- 0.32   0.006% *  0.3644% (0.41   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    ALA  120  13.84 +/- 0.74   0.001% *  0.8843% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA  120  13.19 +/- 1.11   0.002% *  0.3644% (0.41   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    ALA  120  14.93 +/- 0.47   0.001% *  0.1754% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ALA  120  20.06 +/- 0.54   0.000% *  0.4314% (0.49   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ALA  120  23.36 +/- 0.33   0.000% *  0.2210% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 0.937, support = 2.38, residual support = 11.5:
    * O T HA    ALA  120 - QB    ALA  120   2.14 +/- 0.01  96.613% * 38.9640% (0.95   2.29  11.84) =  96.179%  kept
          HA    LYS+ 121 - QB    ALA  120   3.92 +/- 0.02   2.525% * 59.1704% (0.72   4.56   2.28) =   3.818%  kept
          QB    SER  117 - QB    ALA  120   4.71 +/- 0.17   0.858% *  0.1397% (0.39   0.02   5.15) =   0.003%
          HA    LYS+  65 - QB    ALA  120  13.65 +/- 0.42   0.001% *  0.2597% (0.72   0.02   0.02) =   0.000%
          HB    THR   94 - QB    ALA  120  15.77 +/- 0.17   0.001% *  0.2839% (0.79   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA  120  17.28 +/- 0.50   0.000% *  0.2839% (0.79   0.02   0.02) =   0.000%
          QB    SER   48 - QB    ALA  120  21.83 +/- 0.59   0.000% *  0.3137% (0.87   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    ALA  120  21.11 +/- 0.42   0.000% *  0.2335% (0.65   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA  120  20.17 +/- 0.61   0.000% *  0.0673% (0.19   0.02   0.02) =   0.000%
          QB    SER   85 - QB    ALA  120  26.32 +/- 0.21   0.000% *  0.2839% (0.79   0.02   0.02) =   0.000%
    Distance limit 2.71 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 = 0.982, support = 8.11, residual support = 309.2:
    * O T HB2   LYS+ 121 - HA    LYS+ 121   2.85 +/- 0.06  65.525% * 95.2802% (1.00   8.25 314.74) =  98.225%  kept
        T QD    LYS+  65 - HA    LYS+  65   3.24 +/- 0.28  32.822% *  3.4329% (0.06   4.75 160.36) =   1.773%
        T HB2   LEU  123 - HA    LYS+ 121   5.33 +/- 0.25   1.604% *  0.0713% (0.31   0.02   2.34) =   0.002%
        T QD    LYS+ 102 - HA    LYS+ 121  14.93 +/- 1.34   0.004% *  0.1215% (0.53   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 121  17.15 +/- 0.46   0.001% *  0.2304% (1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  18.51 +/- 0.85   0.001% *  0.2071% (0.90   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  15.83 +/- 0.68   0.002% *  0.0642% (0.28   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.72 +/- 0.12   0.002% *  0.0713% (0.31   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  19.65 +/- 0.58   0.001% *  0.1400% (0.61   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  11.09 +/- 0.31   0.019% *  0.0045% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  12.97 +/- 1.00   0.008% *  0.0088% (0.04   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  20.64 +/- 0.24   0.000% *  0.0788% (0.34   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HA    LYS+  65  15.68 +/- 0.50   0.002% *  0.0145% (0.06   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  26.72 +/- 0.77   0.000% *  0.2263% (0.98   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  14.24 +/- 0.48   0.004% *  0.0045% (0.02   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  19.81 +/- 2.22   0.001% *  0.0130% (0.06   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  20.40 +/- 0.72   0.001% *  0.0049% (0.02   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  24.69 +/- 0.53   0.000% *  0.0142% (0.06   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  22.51 +/- 0.82   0.000% *  0.0076% (0.03   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  24.19 +/- 0.46   0.000% *  0.0040% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1539 (1.15, 3.94, 58.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 314.7:
    * O T HG2   LYS+ 121 - HA    LYS+ 121   2.09 +/- 0.18  99.952% * 99.1740% (1.00   7.29 314.74) = 100.000%  kept
          QG2   VAL  107 - HA    LYS+ 121   9.80 +/- 0.31   0.011% *  0.2512% (0.92   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+ 121   8.45 +/- 0.33   0.027% *  0.0840% (0.31   0.02   0.71) =   0.000%
          HG13  ILE  103 - HA    LYS+ 121  13.92 +/- 0.45   0.001% *  0.1324% (0.49   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+  65  12.20 +/- 0.47   0.003% *  0.0137% (0.05   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+ 121  21.17 +/- 0.37   0.000% *  0.2179% (0.80   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+  65  11.69 +/- 0.61   0.004% *  0.0053% (0.02   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LYS+  65  14.56 +/- 0.24   0.001% *  0.0158% (0.06   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+ 121  22.59 +/- 0.73   0.000% *  0.0757% (0.28   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HA    LYS+  65  18.02 +/- 0.43   0.000% *  0.0171% (0.06   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+  65  20.35 +/- 0.45   0.000% *  0.0083% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+  65  20.54 +/- 0.60   0.000% *  0.0047% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1540 (0.80, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.71, residual support = 314.7:
    * O T HG3   LYS+ 121 - HA    LYS+ 121   3.30 +/- 0.20  98.676% * 99.4592% (1.00   6.71 314.74) =  99.998%  kept
          QD2   LEU  123 - HA    LYS+ 121   7.21 +/- 0.17   0.975% *  0.1443% (0.49   0.02   2.34) =   0.001%
          QD1   ILE   56 - HA    LYS+ 121  12.45 +/- 0.31   0.037% *  0.1798% (0.61   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+  65   9.76 +/- 0.69   0.181% *  0.0091% (0.03   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HA    LYS+ 121  15.84 +/- 0.97   0.010% *  0.1011% (0.34   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HA    LYS+  65  10.69 +/- 0.46   0.093% *  0.0063% (0.02   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+  65  13.71 +/- 0.30   0.021% *  0.0113% (0.04   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LYS+  65  17.65 +/- 0.52   0.005% *  0.0186% (0.06   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 121  23.54 +/- 1.28   0.001% *  0.0660% (0.22   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+  65  20.14 +/- 0.82   0.002% *  0.0041% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 0.677, support = 7.6, residual support = 308.6:
    *   T HD2   LYS+ 121 - HA    LYS+ 121   3.48 +/- 0.73  20.757% * 70.8351% (1.00   7.24 314.74) =  54.657%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.86 +/- 0.07  44.428% * 25.0328% (0.31   8.30 314.74) =  41.343%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   3.10 +/- 0.55  33.536% *  3.2084% (0.06   5.27 160.36) =   4.000%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.44 +/- 0.73   1.216% *  0.0098% (0.05   0.02  27.52) =   0.000%
        T QD    LYS+  66 - HA    LYS+ 121  11.36 +/- 0.76   0.013% *  0.1566% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  10.80 +/- 0.47   0.015% *  0.0604% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  12.09 +/- 0.58   0.008% *  0.0342% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  13.85 +/- 0.31   0.004% *  0.0435% (0.22   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.85 +/- 0.32   0.001% *  0.1938% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.31 +/- 0.58   0.008% *  0.0094% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  20.59 +/- 0.42   0.000% *  0.1494% (0.76   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  23.04 +/- 0.25   0.000% *  0.1887% (0.97   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.77 +/- 0.55   0.002% *  0.0118% (0.06   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.39 +/- 0.46   0.000% *  0.0387% (0.20   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  13.39 +/- 0.88   0.004% *  0.0024% (0.01   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.49 +/- 0.81   0.004% *  0.0021% (0.01   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  18.17 +/- 1.01   0.001% *  0.0123% (0.06   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  15.56 +/- 0.47   0.002% *  0.0038% (0.02   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  17.26 +/- 0.58   0.001% *  0.0038% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.77 +/- 0.31   0.000% *  0.0027% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 0.992, support = 6.69, residual support = 302.4:
    *     QE    LYS+ 121 - HA    LYS+ 121   3.50 +/- 0.73  93.581% * 57.7382% (1.00   6.73 314.74) =  95.364%  kept
          HB3   HIS  122 - HA    LYS+ 121   5.93 +/- 0.09   6.253% * 42.0070% (0.84   5.86  49.33) =   4.636%  kept
          HB3   HIS  122 - HA    LYS+  65  11.34 +/- 0.83   0.140% *  0.0090% (0.05   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+ 121  25.26 +/- 0.44   0.001% *  0.1178% (0.69   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    LYS+  65  17.09 +/- 0.58   0.011% *  0.0108% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+  65  17.43 +/- 0.57   0.010% *  0.0074% (0.04   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+ 121  28.24 +/- 0.63   0.001% *  0.0769% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+ 121  29.01 +/- 0.59   0.000% *  0.0265% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+  65  24.03 +/- 0.61   0.002% *  0.0048% (0.03   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  65  23.75 +/- 0.62   0.002% *  0.0017% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.91 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 = 8.25, residual support = 314.7:
    * O T HA    LYS+ 121 - HB2   LYS+ 121   2.85 +/- 0.06  96.371% * 98.5741% (1.00   8.25 314.74) =  99.993%  kept
          QB    SER  117 - HB2   LYS+ 121   5.68 +/- 0.72   1.876% *  0.1995% (0.84   0.02   0.02) =   0.004%
          HA    ALA  120 - HB2   LYS+ 121   5.60 +/- 0.26   1.710% *  0.1826% (0.76   0.02   2.28) =   0.003%
          HA    PHE   60 - HB2   LYS+ 121  10.88 +/- 0.28   0.032% *  0.0664% (0.28   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LYS+ 121  14.69 +/- 0.27   0.005% *  0.2368% (0.99   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   LYS+ 121  15.68 +/- 0.50   0.004% *  0.0815% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LYS+ 121  19.39 +/- 0.85   0.001% *  0.0982% (0.41   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LYS+ 121  23.62 +/- 0.50   0.000% *  0.2260% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LYS+ 121  23.96 +/- 0.48   0.000% *  0.2368% (0.99   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LYS+ 121  27.37 +/- 0.34   0.000% *  0.0982% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 7.71, residual support = 314.7:
    * O T HG2   LYS+ 121 - HB2   LYS+ 121   2.93 +/- 0.11  98.851% * 99.2794% (1.00   7.71 314.74) =  99.999%  kept
          QG2   VAL  107 - HB2   LYS+ 121   7.67 +/- 0.46   0.328% *  0.2378% (0.92   0.02   0.02) =   0.001%
          HG13  ILE  119 - HB2   LYS+ 121   6.64 +/- 0.43   0.798% *  0.0795% (0.31   0.02   0.71) =   0.001%
          HG13  ILE  103 - HB2   LYS+ 121  12.15 +/- 0.48   0.021% *  0.1254% (0.49   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LYS+ 121  19.26 +/- 0.43   0.001% *  0.2063% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   LYS+ 121  20.84 +/- 0.98   0.001% *  0.0716% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 7.14, residual support = 314.7:
    * O T HG3   LYS+ 121 - HB2   LYS+ 121   2.72 +/- 0.21  99.758% * 99.5379% (1.00   7.14 314.74) = 100.000%  kept
        T QD2   LEU  123 - HB2   LYS+ 121   7.80 +/- 0.24   0.199% *  0.1357% (0.49   0.02   2.34) =   0.000%
          QD1   ILE   56 - HB2   LYS+ 121  10.46 +/- 0.51   0.037% *  0.1691% (0.61   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HB2   LYS+ 121  14.18 +/- 1.27   0.006% *  0.0951% (0.34   0.02   0.02) =   0.000%
          HG    LEU   31 - HB2   LYS+ 121  21.60 +/- 1.23   0.000% *  0.0621% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.11 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 = 0.464, support = 8.66, residual support = 314.7:
      O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  90.566% * 26.2457% (0.31   8.94 314.74) =  77.569%  kept
    * O T HD2   LYS+ 121 - HB2   LYS+ 121   2.93 +/- 0.63   9.427% * 72.9126% (1.00   7.67 314.74) =  22.431%  kept
        T QD    LYS+  66 - HB2   LYS+ 121  10.98 +/- 0.83   0.002% *  0.1523% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   LYS+ 121   9.97 +/- 0.58   0.003% *  0.0587% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB2   LYS+ 121  11.30 +/- 0.81   0.001% *  0.0333% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  11.65 +/- 0.58   0.001% *  0.0423% (0.22   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.47 +/- 0.43   0.000% *  0.1885% (0.99   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  18.21 +/- 0.35   0.000% *  0.1454% (0.76   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  21.27 +/- 0.44   0.000% *  0.1836% (0.97   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  17.87 +/- 0.47   0.000% *  0.0376% (0.20   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 = 0.989, support = 7.11, residual support = 296.6:
    *     QE    LYS+ 121 - HB2   LYS+ 121   3.49 +/- 0.52  90.823% * 57.7446% (1.00   7.17 314.74) =  93.149%  kept
          HB3   HIS  122 - HB2   LYS+ 121   5.39 +/- 0.33   9.174% * 42.0478% (0.84   6.25  49.33) =   6.851%  kept
          HG2   GLN   30 - HB2   LYS+ 121  23.37 +/- 0.59   0.001% *  0.1106% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 121  26.36 +/- 0.74   0.001% *  0.0722% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+ 121  26.30 +/- 0.61   0.001% *  0.0248% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1549 (3.94, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 314.7:
    * O T HA    LYS+ 121 - HG2   LYS+ 121   2.09 +/- 0.18  99.713% * 98.3887% (1.00   7.29 314.74) =  99.999%  kept
          QB    SER  117 - HG2   LYS+ 121   6.18 +/- 0.39   0.189% *  0.2255% (0.84   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   LYS+ 121   6.76 +/- 0.16   0.095% *  0.2063% (0.76   0.02   2.28) =   0.000%
          HB    THR   94 - HG2   LYS+ 121  16.31 +/- 0.37   0.001% *  0.2676% (0.99   0.02   0.02) =   0.000%
          HA    PHE   60 - HG2   LYS+ 121  13.55 +/- 0.24   0.002% *  0.0751% (0.28   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG2   LYS+ 121  18.02 +/- 0.43   0.000% *  0.0921% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+ 121  21.60 +/- 0.95   0.000% *  0.1110% (0.41   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+ 121  25.72 +/- 0.41   0.000% *  0.2554% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+ 121  26.30 +/- 0.48   0.000% *  0.2676% (0.99   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+ 121  28.71 +/- 0.53   0.000% *  0.1110% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 7.71, residual support = 314.7:
    * O T HB2   LYS+ 121 - HG2   LYS+ 121   2.93 +/- 0.11  99.560% * 98.6576% (1.00   7.71 314.74) = 100.000%  kept
          HB2   LEU  123 - HG2   LYS+ 121   7.36 +/- 0.25   0.409% *  0.0790% (0.31   0.02   2.34) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 121  13.72 +/- 1.52   0.015% *  0.1347% (0.53   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG2   LYS+ 121  14.84 +/- 0.72   0.006% *  0.0712% (0.28   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG2   LYS+ 121  18.31 +/- 0.39   0.002% *  0.2554% (1.00   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG2   LYS+ 121  18.26 +/- 0.69   0.002% *  0.2296% (0.90   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+ 121  16.98 +/- 0.15   0.003% *  0.0790% (0.31   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG2   LYS+ 121  19.60 +/- 0.53   0.001% *  0.1553% (0.61   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 121  20.08 +/- 0.30   0.001% *  0.0873% (0.34   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 121  25.77 +/- 0.96   0.000% *  0.2509% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 314.7:
    * O T HG3   LYS+ 121 - HG2   LYS+ 121   1.75 +/- 0.00  99.993% * 99.4778% (1.00   6.31 314.74) = 100.000%  kept
          QD2   LEU  123 - HG2   LYS+ 121   8.86 +/- 0.18   0.006% *  0.1534% (0.49   0.02   2.34) =   0.000%
          QD1   ILE   56 - HG2   LYS+ 121  12.33 +/- 0.38   0.001% *  0.1911% (0.61   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HG2   LYS+ 121  15.78 +/- 1.07   0.000% *  0.1075% (0.34   0.02   0.02) =   0.000%
        T HG    LEU   31 - HG2   LYS+ 121  22.97 +/- 1.27   0.000% *  0.0702% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 0.847, support = 6.94, residual support = 314.7:
    * O T HD2   LYS+ 121 - HG2   LYS+ 121   2.65 +/- 0.21  55.697% * 72.9382% (1.00   6.71 314.74) =  77.857%  kept
      O T HB3   LYS+ 121 - HG2   LYS+ 121   2.76 +/- 0.19  44.268% * 26.0993% (0.31   7.78 314.74) =  22.143%  kept
          HG    LEU  104 - HG2   LYS+ 121  10.13 +/- 0.66   0.019% *  0.0671% (0.31   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HG2   LYS+ 121  12.83 +/- 0.78   0.005% *  0.1741% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+ 121  12.19 +/- 0.86   0.006% *  0.0381% (0.18   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG2   LYS+ 121  13.00 +/- 0.47   0.004% *  0.0484% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+ 121  18.99 +/- 0.32   0.000% *  0.2156% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   LYS+ 121  20.64 +/- 0.36   0.000% *  0.1662% (0.76   0.02   0.02) =   0.000%
          QG2   THR   26 - HG2   LYS+ 121  22.91 +/- 0.40   0.000% *  0.2099% (0.97   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG2   LYS+ 121  20.38 +/- 0.49   0.000% *  0.0430% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 314.7:
    * O   QE    LYS+ 121 - HG2   LYS+ 121   2.47 +/- 0.41  99.723% * 99.3314% (1.00   6.31 314.74) =  99.999%  kept
          HB3   HIS  122 - HG2   LYS+ 121   7.13 +/- 0.36   0.277% *  0.2628% (0.84   0.02  49.33) =   0.001%
          HG2   GLN   30 - HG2   LYS+ 121  25.15 +/- 0.51   0.000% *  0.2161% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG2   LYS+ 121  27.64 +/- 0.66   0.000% *  0.1411% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+ 121  28.49 +/- 0.62   0.000% *  0.0485% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 6.71, residual support = 314.7:
    * O T HA    LYS+ 121 - HG3   LYS+ 121   3.30 +/- 0.20  96.290% * 97.5723% (1.00   6.71 314.74) =  99.992%  kept
          QB    SER  117 - HG3   LYS+ 121   6.40 +/- 0.43   2.251% *  0.2430% (0.84   0.02   0.02) =   0.006%
          HA    ALA  120 - HG3   LYS+ 121   7.63 +/- 0.11   0.657% *  0.2223% (0.76   0.02   2.28) =   0.002%
          HA    PHE   60 - QD2   LEU   73   8.67 +/- 0.71   0.385% *  0.0276% (0.09   0.02   0.76) =   0.000%
          HB    THR   94 - QD2   LEU   73  11.49 +/- 1.28   0.085% *  0.0983% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD2   LEU   73  10.24 +/- 0.66   0.120% *  0.0408% (0.14   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 121  14.90 +/- 0.41   0.013% *  0.2883% (0.99   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD2   LEU   73  10.69 +/- 0.46   0.091% *  0.0338% (0.12   0.02   0.02) =   0.000%
          HA    PHE   60 - HG3   LYS+ 121  12.71 +/- 0.36   0.032% *  0.0809% (0.28   0.02   0.02) =   0.000%
          QB    SER   48 - QD2   LEU   73  13.15 +/- 0.73   0.027% *  0.0938% (0.32   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD2   LEU   73  15.84 +/- 0.97   0.010% *  0.0992% (0.34   0.02   0.02) =   0.000%
          QB    SER  117 - QD2   LEU   73  15.85 +/- 1.07   0.010% *  0.0829% (0.28   0.02   0.02) =   0.000%
          HA    ALA  120 - QD2   LEU   73  16.31 +/- 0.85   0.008% *  0.0758% (0.26   0.02   0.02) =   0.000%
          QB    SER   85 - QD2   LEU   73  15.09 +/- 0.36   0.011% *  0.0408% (0.14   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 121  17.65 +/- 0.52   0.004% *  0.0992% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD2   LEU   73  17.99 +/- 0.68   0.004% *  0.0983% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 121  21.08 +/- 1.02   0.002% *  0.1196% (0.41   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 121  24.63 +/- 0.48   0.001% *  0.2752% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG3   LYS+ 121  25.45 +/- 0.59   0.001% *  0.2883% (0.99   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 121  27.31 +/- 0.51   0.000% *  0.1196% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.80 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 = 7.14, residual support = 314.7:
    * O T HB2   LYS+ 121 - HG3   LYS+ 121   2.72 +/- 0.21  99.296% * 97.9762% (1.00   7.14 314.74) = 100.000%  kept
          HD2   LYS+  74 - QD2   LEU   73   6.96 +/- 0.55   0.421% *  0.0568% (0.21   0.02  45.45) =   0.000%
        T HB2   LEU  123 - HG3   LYS+ 121   8.35 +/- 0.35   0.142% *  0.0847% (0.31   0.02   2.34) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  12.72 +/- 1.39   0.016% *  0.1444% (0.53   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU   73  11.27 +/- 0.64   0.021% *  0.0917% (0.33   0.02   0.02) =   0.000%
          QD    LYS+  65 - QD2   LEU   73  11.44 +/- 0.51   0.021% *  0.0934% (0.34   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU   73  11.86 +/- 0.97   0.017% *  0.0839% (0.31   0.02   0.02) =   0.000%
          QB    ALA   57 - QD2   LEU   73  10.53 +/- 0.43   0.032% *  0.0289% (0.11   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - QD2   LEU   73  14.18 +/- 1.27   0.006% *  0.0936% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  13.23 +/- 0.86   0.009% *  0.0492% (0.18   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 121  17.47 +/- 0.66   0.002% *  0.2462% (0.90   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+ 121  14.34 +/- 0.98   0.005% *  0.0763% (0.28   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+ 121  18.07 +/- 0.40   0.001% *  0.2739% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 121  18.39 +/- 0.60   0.001% *  0.1665% (0.61   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 121  16.34 +/- 0.31   0.002% *  0.0847% (0.31   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.58 +/- 1.18   0.005% *  0.0319% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  19.03 +/- 0.48   0.001% *  0.0936% (0.34   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 121  24.19 +/- 0.94   0.000% *  0.2691% (0.98   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  16.73 +/- 0.78   0.002% *  0.0289% (0.11   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU   73  19.42 +/- 1.44   0.001% *  0.0260% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 314.7:
    * O T HG2   LYS+ 121 - HG3   LYS+ 121   1.75 +/- 0.00  99.897% * 98.7203% (1.00   6.31 314.74) = 100.000%  kept
          QB    ALA   20 - QD2   LEU   73   6.40 +/- 0.66   0.051% *  0.0854% (0.27   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG3   LYS+ 121   8.40 +/- 0.46   0.009% *  0.2887% (0.92   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QD2   LEU   73   6.89 +/- 0.40   0.029% *  0.0296% (0.09   0.02   3.24) =   0.000%
          HG13  ILE  119 - HG3   LYS+ 121   8.99 +/- 0.61   0.006% *  0.0965% (0.31   0.02   0.71) =   0.000%
          HG13  ILE  103 - HG3   LYS+ 121  11.00 +/- 0.54   0.002% *  0.1522% (0.49   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   73  11.14 +/- 1.10   0.002% *  0.0984% (0.31   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD2   LEU   73  10.47 +/- 1.34   0.003% *  0.0519% (0.17   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - QD2   LEU   73  15.78 +/- 1.07   0.000% *  0.1066% (0.34   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   73  13.19 +/- 1.03   0.001% *  0.0329% (0.11   0.02   0.02) =   0.000%
          QB    ALA   20 - HG3   LYS+ 121  20.29 +/- 0.50   0.000% *  0.2504% (0.80   0.02   0.02) =   0.000%
        T HB3   LEU   31 - HG3   LYS+ 121  20.49 +/- 0.73   0.000% *  0.0869% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.704, support = 6.6, residual support = 314.7:
    * O T HD2   LYS+ 121 - HG3   LYS+ 121   2.74 +/- 0.32  31.759% * 72.8280% (1.00   6.22 314.74) =  57.183%  kept
      O T HB3   LYS+ 121 - HG3   LYS+ 121   2.36 +/- 0.13  67.447% * 25.6773% (0.31   7.10 314.74) =  42.816%  kept
          QG2   THR   26 - QD2   LEU   73   6.00 +/- 0.87   0.336% *  0.0771% (0.33   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QD2   LEU   73   5.78 +/- 0.28   0.317% *  0.0610% (0.26   0.02  45.45) =   0.000%
          HG    LEU  104 - HG3   LYS+ 121   8.95 +/- 0.70   0.024% *  0.0723% (0.31   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD2   LEU   73   8.18 +/- 0.42   0.041% *  0.0158% (0.07   0.02  45.45) =   0.000%
          HB3   LEU   40 - QD2   LEU   73   8.56 +/- 0.77   0.037% *  0.0140% (0.06   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HG3   LYS+ 121  12.97 +/- 0.77   0.003% *  0.1876% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU   73  11.27 +/- 0.53   0.006% *  0.0792% (0.34   0.02   0.02) =   0.000%
          HG    LEU  104 - QD2   LEU   73  10.40 +/- 0.94   0.012% *  0.0247% (0.11   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 121  11.26 +/- 0.97   0.006% *  0.0410% (0.18   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD2   LEU   73  12.39 +/- 0.52   0.003% *  0.0640% (0.27   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+ 121  12.29 +/- 0.58   0.004% *  0.0522% (0.22   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD2   LEU   73  15.60 +/- 1.51   0.001% *  0.0799% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 121  18.58 +/- 0.43   0.000% *  0.2322% (0.99   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD2   LEU   73  13.81 +/- 0.89   0.002% *  0.0247% (0.11   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG3   LYS+ 121  19.44 +/- 0.42   0.000% *  0.1790% (0.76   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 121  21.78 +/- 0.43   0.000% *  0.2261% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU   73  16.46 +/- 1.24   0.001% *  0.0178% (0.08   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG3   LYS+ 121  19.23 +/- 0.57   0.000% *  0.0464% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 314.7:
    * O   QE    LYS+ 121 - HG3   LYS+ 121   2.77 +/- 0.50  93.993% * 98.9477% (1.00   6.00 314.74) =  99.994%  kept
          HG2   GLN   30 - QD2   LEU   73   5.33 +/- 1.17   5.265% *  0.0773% (0.23   0.02   4.91) =   0.004%
          HB3   HIS  122 - HG3   LYS+ 121   6.98 +/- 0.59   0.637% *  0.2755% (0.84   0.02  49.33) =   0.002%
          HB3   ASN   28 - QD2   LEU   73   9.66 +/- 0.57   0.071% *  0.0504% (0.15   0.02   0.02) =   0.000%
          HB3   HIS  122 - QD2   LEU   73  12.19 +/- 0.82   0.019% *  0.0939% (0.28   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD2   LEU   73  14.46 +/- 1.30   0.007% *  0.1125% (0.34   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD2   LEU   73  14.28 +/- 0.40   0.008% *  0.0174% (0.05   0.02   0.02) =   0.000%
          HG2   GLN   30 - HG3   LYS+ 121  23.82 +/- 0.54   0.000% *  0.2266% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG3   LYS+ 121  26.15 +/- 0.66   0.000% *  0.1479% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 121  27.16 +/- 0.67   0.000% *  0.0509% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1561 (3.94, 1.50, 29.95 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 7.24, residual support = 314.6:
    *   T HA    LYS+ 121 - HD2   LYS+ 121   3.48 +/- 0.73  72.851% * 97.8596% (1.00   7.24 314.74) =  99.956%  kept
          QB    SER  117 - HD2   LYS+ 121   5.66 +/- 1.62  12.306% *  0.2257% (0.84   0.02   0.02) =   0.039%
        T HA    ALA  120 - HD2   LYS+ 121   7.38 +/- 0.93   0.848% *  0.2065% (0.76   0.02   2.28) =   0.002%
        T HA    LYS+  65 - QD    LYS+  66   5.44 +/- 0.73  10.205% *  0.0115% (0.04   0.02  27.52) =   0.002%
          QB    SER   48 - HD3   LYS+  74   8.80 +/- 1.13   0.739% *  0.0399% (0.15   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  66   8.09 +/- 0.88   0.811% *  0.0257% (0.10   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+  74   7.99 +/- 0.45   0.702% *  0.0117% (0.04   0.02   0.02) =   0.000%
          HA    PHE   60 - QD    LYS+  66   8.62 +/- 1.09   0.771% *  0.0093% (0.03   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+  74  10.55 +/- 0.86   0.139% *  0.0418% (0.15   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 121  15.42 +/- 1.15   0.020% *  0.2678% (0.99   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  66   9.41 +/- 0.71   0.274% *  0.0138% (0.05   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+  66  11.36 +/- 0.76   0.091% *  0.0336% (0.12   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+  74  12.00 +/- 0.49   0.065% *  0.0418% (0.15   0.02   0.02) =   0.000%
          HA    PHE   60 - HD2   LYS+ 121  13.22 +/- 0.79   0.035% *  0.0751% (0.28   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  66  12.46 +/- 0.90   0.056% *  0.0281% (0.10   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+  74  13.39 +/- 0.88   0.032% *  0.0144% (0.05   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 121  18.17 +/- 1.01   0.005% *  0.0922% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+  74  14.81 +/- 0.73   0.017% *  0.0173% (0.06   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+  74  17.30 +/- 0.38   0.007% *  0.0352% (0.13   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 121  25.02 +/- 0.88   0.001% *  0.2556% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 121  25.49 +/- 1.16   0.001% *  0.2678% (0.99   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  66  18.48 +/- 1.05   0.005% *  0.0333% (0.12   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 121  21.73 +/- 1.29   0.002% *  0.1111% (0.41   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+  74  16.84 +/- 0.71   0.008% *  0.0173% (0.06   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+  74  20.39 +/- 0.46   0.002% *  0.0421% (0.16   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+  74  19.67 +/- 0.59   0.003% *  0.0322% (0.12   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  66  20.61 +/- 1.41   0.003% *  0.0318% (0.12   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  66  21.09 +/- 1.12   0.002% *  0.0333% (0.12   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 121  27.98 +/- 1.03   0.000% *  0.1111% (0.41   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  66  27.30 +/- 0.93   0.000% *  0.0138% (0.05   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1562 (1.66, 1.50, 29.95 ppm):
    30 chemical-shift based assignments, quality = 0.744, support = 6.44, residual support = 275.3:
    * O T HB2   LYS+ 121 - HD2   LYS+ 121   2.93 +/- 0.63   9.411% * 94.4149% (1.00   7.67 314.74) =  71.687%  kept
      O   HD2   LYS+  74 - HD3   LYS+  74   1.75 +/- 0.00  90.305% *  3.8858% (0.09   3.34 175.61) =  28.312%  kept
        T QD    LYS+  65 - QD    LYS+  66   5.80 +/- 0.81   0.113% *  0.0306% (0.12   0.02  27.52) =   0.000%
          QB    ALA   57 - HD3   LYS+  74   5.33 +/- 0.44   0.137% *  0.0119% (0.05   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD2   LYS+ 121   8.18 +/- 0.94   0.011% *  0.0760% (0.31   0.02   2.34) =   0.000%
          HB2   LEU  123 - QD    LYS+  66   8.00 +/- 0.83   0.013% *  0.0095% (0.04   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD2   LYS+ 121  13.66 +/- 1.58   0.001% *  0.1296% (0.53   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+  74   9.77 +/- 1.10   0.004% *  0.0131% (0.05   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - QD    LYS+  66  10.98 +/- 0.83   0.002% *  0.0306% (0.12   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD2   LYS+ 121  13.90 +/- 1.76   0.000% *  0.0685% (0.28   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD3   LYS+  74  12.43 +/- 0.93   0.001% *  0.0383% (0.16   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD2   LYS+ 121  18.37 +/- 0.91   0.000% *  0.2457% (1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   LYS+ 121  18.59 +/- 1.69   0.000% *  0.2209% (0.90   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+  74  13.65 +/- 0.79   0.000% *  0.0377% (0.15   0.02   0.02) =   0.000%
          QB    ALA   57 - QD    LYS+  66  11.24 +/- 0.99   0.002% *  0.0095% (0.04   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   LYS+ 121  16.50 +/- 0.78   0.000% *  0.0760% (0.31   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HD2   LYS+ 121  19.04 +/- 0.99   0.000% *  0.1494% (0.61   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD    LYS+  66  14.55 +/- 1.29   0.000% *  0.0186% (0.08   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   LYS+ 121  19.18 +/- 1.22   0.000% *  0.0840% (0.34   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QD    LYS+  66  18.63 +/- 1.73   0.000% *  0.0275% (0.11   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HD3   LYS+  74  17.87 +/- 0.47   0.000% *  0.0384% (0.16   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   LYS+ 121  25.05 +/- 1.37   0.000% *  0.2414% (0.98   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD3   LYS+  74  22.31 +/- 1.56   0.000% *  0.0345% (0.14   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QD    LYS+  66  19.80 +/- 0.69   0.000% *  0.0161% (0.07   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD    LYS+  66  18.89 +/- 1.48   0.000% *  0.0104% (0.04   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+  74  18.70 +/- 0.78   0.000% *  0.0107% (0.04   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD3   LYS+  74  21.41 +/- 1.07   0.000% *  0.0202% (0.08   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QD    LYS+  66  19.64 +/- 1.13   0.000% *  0.0085% (0.03   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD3   LYS+  74  20.84 +/- 0.72   0.000% *  0.0119% (0.05   0.02   0.02) =   0.000%
          HB    VAL   83 - QD    LYS+  66  24.80 +/- 0.97   0.000% *  0.0300% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1563 (1.15, 1.50, 29.95 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 6.71, residual support = 314.7:
    * O T HG2   LYS+ 121 - HD2   LYS+ 121   2.65 +/- 0.21  98.435% * 98.8616% (1.00   6.71 314.74) =  99.999%  kept
          QG2   VAL  107 - HD2   LYS+ 121   8.46 +/- 1.14   0.147% *  0.2721% (0.92   0.02   0.02) =   0.000%
          QB    ALA   20 - HD3   LYS+  74   5.95 +/- 0.48   0.940% *  0.0368% (0.12   0.02   8.15) =   0.000%
          HG13  ILE  119 - HD2   LYS+ 121   9.04 +/- 0.86   0.090% *  0.0910% (0.31   0.02   0.71) =   0.000%
          HG13  ILE  119 - QD    LYS+  66   7.76 +/- 1.18   0.304% *  0.0113% (0.04   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   LYS+ 121  12.10 +/- 1.11   0.016% *  0.1435% (0.49   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD3   LYS+  74  10.45 +/- 0.45   0.028% *  0.0424% (0.14   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD    LYS+  66  12.03 +/- 0.94   0.015% *  0.0338% (0.11   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - QD    LYS+  66  12.83 +/- 0.78   0.009% *  0.0367% (0.12   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    LYS+  66  14.68 +/- 0.91   0.004% *  0.0294% (0.10   0.02   0.02) =   0.000%
          QB    ALA   20 - HD2   LYS+ 121  20.91 +/- 0.64   0.000% *  0.2360% (0.80   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+  74  13.83 +/- 0.64   0.005% *  0.0142% (0.05   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+  74  16.55 +/- 0.52   0.002% *  0.0224% (0.08   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD2   LYS+ 121  21.69 +/- 1.43   0.000% *  0.0820% (0.28   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HD3   LYS+  74  20.38 +/- 0.49   0.001% *  0.0460% (0.16   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+  74  16.55 +/- 0.41   0.002% *  0.0128% (0.04   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    LYS+  66  18.28 +/- 0.77   0.001% *  0.0178% (0.06   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    LYS+  66  21.08 +/- 0.44   0.000% *  0.0102% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1564 (0.80, 1.50, 29.95 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.22, residual support = 314.7:
    * O T HG3   LYS+ 121 - HD2   LYS+ 121   2.74 +/- 0.32  87.092% * 99.2334% (1.00   6.22 314.74) =  99.997%  kept
          QD2   LEU  123 - QD    LYS+  66   4.36 +/- 0.98  12.526% *  0.0193% (0.06   0.02   0.02) =   0.003%
          QD2   LEU  123 - HD2   LYS+ 121   9.40 +/- 0.79   0.086% *  0.1554% (0.49   0.02   2.34) =   0.000%
          QD1   ILE   56 - HD2   LYS+ 121  11.70 +/- 1.12   0.023% *  0.1936% (0.61   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HD3   LYS+  74   8.18 +/- 0.42   0.153% *  0.0170% (0.05   0.02  45.45) =   0.000%
          QD1   ILE   56 - HD3   LYS+  74   9.35 +/- 0.38   0.066% *  0.0302% (0.09   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD    LYS+  66  11.52 +/- 0.94   0.020% *  0.0241% (0.08   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HD2   LYS+ 121  15.60 +/- 1.51   0.004% *  0.1089% (0.34   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD    LYS+  66  12.97 +/- 0.77   0.009% *  0.0397% (0.12   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD    LYS+  66  12.39 +/- 0.52   0.012% *  0.0135% (0.04   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+  74  16.89 +/- 0.81   0.002% *  0.0242% (0.08   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HD3   LYS+  74  19.23 +/- 0.57   0.001% *  0.0498% (0.16   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+  74  14.94 +/- 0.50   0.004% *  0.0111% (0.03   0.02   0.02) =   0.000%
          HG    LEU   31 - HD2   LYS+ 121  22.62 +/- 1.41   0.000% *  0.0711% (0.22   0.02   0.02) =   0.000%
          HG    LEU   31 - QD    LYS+  66  21.11 +/- 0.82   0.000% *  0.0088% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 6.1, residual support = 314.7:
    * O   QE    LYS+ 121 - HD2   LYS+ 121   2.39 +/- 0.13  99.619% * 99.0252% (1.00   6.10 314.74) = 100.000%  kept
          HB3   HIS  122 - HD2   LYS+ 121   7.63 +/- 0.82   0.142% *  0.2713% (0.84   0.02  49.33) =   0.000%
          HB3   HIS  122 - QD    LYS+  66   7.35 +/- 1.40   0.211% *  0.0337% (0.10   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD    LYS+  66  12.48 +/- 0.83   0.006% *  0.0404% (0.12   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+  74  10.57 +/- 0.85   0.017% *  0.0078% (0.02   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD3   LYS+  74  13.92 +/- 0.35   0.003% *  0.0348% (0.11   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD3   LYS+  74  16.71 +/- 0.70   0.001% *  0.0423% (0.13   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HD3   LYS+  74  18.32 +/- 1.08   0.001% *  0.0507% (0.16   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD2   LYS+ 121  24.89 +/- 1.11   0.000% *  0.2231% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+  74  18.65 +/- 0.40   0.000% *  0.0227% (0.07   0.02   0.02) =   0.000%
        T HG2   GLN   30 - QD    LYS+  66  19.76 +/- 0.75   0.000% *  0.0277% (0.09   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD2   LYS+ 121  27.30 +/- 1.21   0.000% *  0.1456% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+ 121  27.67 +/- 1.27   0.000% *  0.0501% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD    LYS+  66  24.97 +/- 0.54   0.000% *  0.0181% (0.06   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  66  24.12 +/- 1.23   0.000% *  0.0062% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 71.8:
    * O T HB2   HIS  122 - HA    HIS  122   2.51 +/- 0.07  99.998% * 98.9679% (1.00   3.44  71.82) = 100.000%  kept
          HA    LYS+ 112 - HA    HIS  122  15.74 +/- 0.22   0.002% *  0.5160% (0.90   0.02   0.02) =   0.000%
          HB    THR   46 - HA    HIS  122  19.89 +/- 0.96   0.000% *  0.5160% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1569 (2.76, 4.88, 56.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.56, residual support = 71.8:
    * O T HB3   HIS  122 - HA    HIS  122   2.81 +/- 0.33  98.040% * 99.0190% (1.00   3.56  71.82) =  99.991%  kept
          QE    LYS+ 121 - HA    HIS  122   6.54 +/- 1.08   1.959% *  0.4649% (0.84   0.02  49.33) =   0.009%
          HG2   GLN   30 - HA    HIS  122  21.95 +/- 0.54   0.001% *  0.1898% (0.34   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    HIS  122  28.21 +/- 0.63   0.000% *  0.2288% (0.41   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    HIS  122  25.43 +/- 0.81   0.000% *  0.0975% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 71.8:
    * O T HA    HIS  122 - HB2   HIS  122   2.51 +/- 0.07  99.984% * 99.2502% (1.00   3.44  71.82) = 100.000%  kept
          HA    VAL   41 - HB2   HIS  122  11.07 +/- 0.68   0.015% *  0.4621% (0.80   0.02   0.02) =   0.000%
          HA    PHE   45 - HB2   HIS  122  18.41 +/- 0.46   0.001% *  0.1439% (0.25   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   HIS  122  22.28 +/- 0.51   0.000% *  0.1439% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 4.12, residual support = 71.8:
    * O T HB3   HIS  122 - HB2   HIS  122   1.75 +/- 0.00  99.987% * 99.1523% (1.00   4.12  71.82) = 100.000%  kept
          QE    LYS+ 121 - HB2   HIS  122   8.26 +/- 0.93   0.013% *  0.4017% (0.84   0.02  49.33) =   0.000%
          HG2   GLN   30 - HB2   HIS  122  20.47 +/- 0.66   0.000% *  0.1641% (0.34   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   HIS  122  27.02 +/- 0.67   0.000% *  0.1977% (0.41   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   HIS  122  24.55 +/- 0.93   0.000% *  0.0842% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.70 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 = 3.56, residual support = 71.8:
    * O T HA    HIS  122 - HB3   HIS  122   2.81 +/- 0.33  99.975% * 99.2749% (1.00   3.56  71.82) = 100.000%  kept
          HA    VAL   41 - HB3   HIS  122  11.47 +/- 1.14   0.023% *  0.4468% (0.80   0.02   0.02) =   0.000%
          HA    PHE   45 - HB3   HIS  122  17.74 +/- 0.54   0.002% *  0.1391% (0.25   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   HIS  122  21.21 +/- 0.53   0.001% *  0.1391% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 4.12, residual support = 71.8:
    * O T HB2   HIS  122 - HB3   HIS  122   1.75 +/- 0.00 100.000% * 99.1375% (1.00   4.12  71.82) = 100.000%  kept
          HA    LYS+ 112 - HB3   HIS  122  14.04 +/- 0.61   0.000% *  0.4313% (0.90   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   HIS  122  17.86 +/- 0.98   0.000% *  0.4313% (0.90   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1575 (2.76, 2.76, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   HIS  122 - HB3   HIS  122  (1.00)  kept
 
    Peak 1576 (4.38, 4.38, 55.67 ppm):
    1 diagonal assignment:
    *     HA    LEU  123 - HA    LEU  123  (1.00)  kept
 
    Peak 1577 (1.68, 4.38, 55.67 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 197.2:
    * O T HB2   LEU  123 - HA    LEU  123   3.02 +/- 0.01  99.565% * 97.7989% (1.00   6.00 197.19) = 100.000%  kept
          HB2   LYS+ 121 - HA    LEU  123   7.78 +/- 0.31   0.351% *  0.1006% (0.31   0.02   2.34) =   0.000%
        T QD    LYS+  99 - HA    LEU  123  10.57 +/- 0.86   0.061% *  0.1340% (0.41   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LEU  123  13.79 +/- 0.71   0.012% *  0.1112% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU  123  18.10 +/- 1.24   0.002% *  0.3009% (0.92   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HA    LEU  123  16.67 +/- 0.43   0.004% *  0.1462% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    LEU  123  18.42 +/- 1.45   0.002% *  0.1846% (0.57   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU  123  19.98 +/- 0.78   0.001% *  0.2924% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LEU  123  20.14 +/- 0.69   0.001% *  0.2109% (0.65   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU  123  23.51 +/- 0.48   0.000% *  0.3253% (1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU  123  24.51 +/- 0.79   0.000% *  0.2610% (0.80   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LEU  123  29.28 +/- 0.61   0.000% *  0.1340% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 5.84, residual support = 197.2:
    * O T HB3   LEU  123 - HA    LEU  123   2.49 +/- 0.05  99.998% * 98.8067% (1.00   5.84 197.19) = 100.000%  kept
          QB    ALA   57 - HA    LEU  123  16.95 +/- 0.42   0.001% *  0.2934% (0.87   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LEU  123  21.25 +/- 1.45   0.000% *  0.3382% (1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LEU  123  20.77 +/- 0.59   0.000% *  0.3033% (0.90   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LEU  123  20.26 +/- 0.90   0.000% *  0.1915% (0.57   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LEU  123  25.16 +/- 0.90   0.000% *  0.0669% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 5.34, residual support = 197.2:
    * O T HG    LEU  123 - HA    LEU  123   3.47 +/- 0.60  95.614% * 95.9764% (0.69   5.34 197.19) =  99.995%  kept
          QB    LYS+  66 - HA    LEU  123   6.39 +/- 0.54   4.057% *  0.0807% (0.15   0.02   0.02) =   0.004%
          HG3   PRO   68 - HA    LEU  123  11.33 +/- 1.47   0.169% *  0.4828% (0.92   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    LEU  123  11.22 +/- 0.52   0.113% *  0.4368% (0.84   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LEU  123  15.31 +/- 0.39   0.017% *  0.2752% (0.53   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  123  18.27 +/- 0.64   0.006% *  0.4690% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  123  18.25 +/- 0.98   0.006% *  0.2150% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  123  20.35 +/- 1.05   0.003% *  0.3798% (0.73   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU  123  17.43 +/- 0.78   0.008% *  0.1454% (0.28   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LEU  123  24.43 +/- 0.64   0.001% *  0.4537% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU  123  23.98 +/- 0.73   0.001% *  0.3592% (0.69   0.02   0.02) =   0.000%
        T HB    ILE   56 - HA    LEU  123  19.48 +/- 0.28   0.004% *  0.0916% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  123  32.13 +/- 0.50   0.000% *  0.3383% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LEU  123  31.99 +/- 0.46   0.000% *  0.2961% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.17 A, kept.
 
    Peak 1580 (0.86, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 197.2:
    *   T QD1   LEU  123 - HA    LEU  123   2.30 +/- 0.61  99.792% * 98.6988% (1.00   5.97 197.19) =  99.999%  kept
          QG1   VAL   70 - HA    LEU  123   8.40 +/- 0.48   0.132% *  0.3053% (0.92   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU  123  10.98 +/- 0.64   0.028% *  0.2762% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU  123  10.03 +/- 0.60   0.043% *  0.1128% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  123  15.55 +/- 0.68   0.003% *  0.2762% (0.84   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  123  16.31 +/- 0.62   0.002% *  0.3307% (1.00   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 4 structures by 0.13 A, kept.
 
    Peak 1581 (0.82, 4.38, 55.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 197.2:
    *   T QD2   LEU  123 - HA    LEU  123   2.88 +/- 0.13  99.860% * 99.7129% (1.00   4.75 197.19) = 100.000%  kept
          HG3   LYS+ 121 - HA    LEU  123   9.21 +/- 0.39   0.104% *  0.2041% (0.49   0.02   2.34) =   0.000%
          HB3   LEU  104 - HA    LEU  123  10.98 +/- 0.64   0.036% *  0.0830% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 2 structures by 0.05 A, kept.
 
    Peak 1582 (4.38, 1.68, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 197.2:
    * O T HA    LEU  123 - HB2   LEU  123   3.02 +/- 0.01  99.969% * 98.3857% (1.00   6.00 197.19) = 100.000%  kept
          HA    ASP- 113 - HB2   LEU  123  13.86 +/- 0.33   0.011% *  0.1725% (0.53   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU  123  15.97 +/- 0.31   0.005% *  0.3215% (0.98   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   LEU  123  15.70 +/- 0.92   0.005% *  0.1725% (0.53   0.02   0.02) =   0.000%
        T HA    LYS+  99 - HB2   LEU  123  16.98 +/- 0.73   0.003% *  0.2845% (0.87   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU  123  15.56 +/- 0.55   0.005% *  0.1231% (0.38   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   LEU  123  23.18 +/- 0.90   0.001% *  0.3165% (0.97   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LEU  123  21.48 +/- 0.54   0.001% *  0.1119% (0.34   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU  123  26.96 +/- 1.38   0.000% *  0.1119% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 5.39, residual support = 197.2:
    * O T HG    LEU  123 - HB2   LEU  123   2.36 +/- 0.27  99.831% * 96.0070% (0.69   5.39 197.19) = 100.000%  kept
          QB    LYS+  66 - HB2   LEU  123   7.29 +/- 0.41   0.144% *  0.0801% (0.15   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LEU  123  11.00 +/- 0.52   0.014% *  0.4335% (0.84   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LEU  123  13.68 +/- 1.31   0.006% *  0.4791% (0.92   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HB2   LEU  123  14.67 +/- 0.42   0.002% *  0.2731% (0.53   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LEU  123  18.52 +/- 0.58   0.001% *  0.4655% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LEU  123  18.66 +/- 0.95   0.001% *  0.2134% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   LEU  123  22.04 +/- 1.02   0.000% *  0.3769% (0.73   0.02   0.02) =   0.000%
        T HB    VAL   41 - HB2   LEU  123  18.74 +/- 0.79   0.001% *  0.1443% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   LEU  123  22.37 +/- 0.71   0.000% *  0.3565% (0.69   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LEU  123  23.42 +/- 0.52   0.000% *  0.4502% (0.87   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LEU  123  18.08 +/- 0.29   0.001% *  0.0909% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   LEU  123  31.21 +/- 0.51   0.000% *  0.3357% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LEU  123  32.03 +/- 0.44   0.000% *  0.2938% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 6.01, residual support = 197.2:
    * O T QD1   LEU  123 - HB2   LEU  123   2.68 +/- 0.32  99.900% * 98.7082% (1.00   6.01 197.19) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU  123  10.16 +/- 0.47   0.041% *  0.3031% (0.92   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU  123  11.73 +/- 0.59   0.017% *  0.2742% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  123  10.41 +/- 0.60   0.038% *  0.1120% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  123  16.05 +/- 0.64   0.003% *  0.2742% (0.84   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  123  17.79 +/- 0.67   0.001% *  0.3283% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 4.76, residual support = 197.2:
    * O T QD2   LEU  123 - HB2   LEU  123   3.00 +/- 0.05  99.747% * 99.7130% (1.00   4.76 197.19) = 100.000%  kept
        T HG3   LYS+ 121 - HB2   LEU  123   8.35 +/- 0.35   0.224% *  0.2040% (0.49   0.02   2.34) =   0.000%
          HB3   LEU  104 - HB2   LEU  123  11.73 +/- 0.59   0.030% *  0.0829% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1594 (4.38, 1.85, 26.16 ppm):
    9 chemical-shift based assignments, quality = 0.687, support = 5.34, residual support = 197.2:
    * O T HA    LEU  123 - HG    LEU  123   3.47 +/- 0.60  99.862% * 98.1908% (0.69   5.34 197.19) = 100.000%  kept
          HA    ILE   56 - HG    LEU  123  14.69 +/- 0.60   0.026% *  0.3603% (0.67   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU  123  13.68 +/- 0.79   0.042% *  0.1934% (0.36   0.02   0.02) =   0.000%
          HA    PRO   58 - HG    LEU  123  13.71 +/- 0.62   0.038% *  0.1379% (0.26   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU  123  15.41 +/- 1.16   0.017% *  0.1934% (0.36   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  123  16.95 +/- 0.91   0.009% *  0.3188% (0.60   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU  123  22.88 +/- 1.16   0.002% *  0.3547% (0.66   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG    LEU  123  19.80 +/- 0.77   0.004% *  0.1254% (0.23   0.02   0.02) =   0.000%
          HA    SER   13 - HG    LEU  123  25.27 +/- 1.51   0.001% *  0.1254% (0.23   0.02   0.02) =   0.000%
    Distance limit 4.50 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 = 5.39, residual support = 197.2:
    * O T HB2   LEU  123 - HG    LEU  123   2.36 +/- 0.27  99.855% * 97.5541% (0.69   5.39 197.19) = 100.000%  kept
          HB2   LYS+ 121 - HG    LEU  123   7.23 +/- 0.45   0.127% *  0.1118% (0.21   0.02   2.34) =   0.000%
          QD    LYS+  99 - HG    LEU  123  12.43 +/- 0.99   0.008% *  0.1489% (0.28   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG    LEU  123  12.58 +/- 0.70   0.006% *  0.1236% (0.23   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG    LEU  123  17.58 +/- 1.35   0.001% *  0.3249% (0.62   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG    LEU  123  16.39 +/- 0.39   0.001% *  0.1624% (0.31   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG    LEU  123  19.45 +/- 1.27   0.000% *  0.3344% (0.63   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG    LEU  123  19.75 +/- 0.73   0.000% *  0.2343% (0.44   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG    LEU  123  20.44 +/- 1.67   0.000% *  0.2051% (0.39   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG    LEU  123  21.20 +/- 0.75   0.000% *  0.3615% (0.69   0.02   0.02) =   0.000%
          HB3   MET   92 - HG    LEU  123  22.74 +/- 1.06   0.000% *  0.2901% (0.55   0.02   0.02) =   0.000%
          HB    VAL   83 - HG    LEU  123  28.59 +/- 0.57   0.000% *  0.1489% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 5.24, residual support = 197.2:
    * O T HB3   LEU  123 - HG    LEU  123   2.77 +/- 0.04  99.993% * 98.6717% (0.69   5.24 197.19) = 100.000%  kept
          QB    ALA   57 - HG    LEU  123  14.86 +/- 0.46   0.004% *  0.3265% (0.60   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG    LEU  123  18.55 +/- 1.06   0.001% *  0.3376% (0.62   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG    LEU  123  18.79 +/- 0.90   0.001% *  0.2131% (0.39   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG    LEU  123  22.13 +/- 1.62   0.000% *  0.3765% (0.69   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG    LEU  123  22.41 +/- 0.98   0.000% *  0.0745% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1597 (1.85, 1.85, 26.16 ppm):
    1 diagonal assignment:
    *     HG    LEU  123 - HG    LEU  123  (0.47)  kept
 
    Peak 1598 (0.86, 1.85, 26.16 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 5.62, residual support = 197.2:
    * O T QD1   LEU  123 - HG    LEU  123   2.13 +/- 0.01  99.959% * 98.6182% (0.69   5.62 197.19) = 100.000%  kept
          QG1   VAL   70 - HG    LEU  123   9.43 +/- 0.81   0.015% *  0.3242% (0.63   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  123   8.92 +/- 0.67   0.021% *  0.1198% (0.23   0.02   0.02) =   0.000%
          HB3   LEU  104 - HG    LEU  123  12.23 +/- 0.60   0.003% *  0.2933% (0.57   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  123  14.73 +/- 0.66   0.001% *  0.2933% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  123  16.87 +/- 0.85   0.000% *  0.3512% (0.69   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 = 197.2:
    * O T QD2   LEU  123 - HG    LEU  123   2.13 +/- 0.00  99.982% * 99.6927% (0.69   4.44 197.19) = 100.000%  kept
          HG3   LYS+ 121 - HG    LEU  123   9.31 +/- 0.32   0.015% *  0.2185% (0.33   0.02   2.34) =   0.000%
          HB3   LEU  104 - HG    LEU  123  12.23 +/- 0.60   0.003% *  0.0888% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1600 (4.38, 0.86, 26.01 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 197.2:
    *   T HA    LEU  123 - QD1   LEU  123   2.30 +/- 0.61  99.892% * 98.3775% (1.00   5.97 197.19) = 100.000%  kept
          HA    ILE   56 - QD1   LEU  123  11.99 +/- 0.43   0.020% *  0.3231% (0.98   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD1   LEU  123  11.90 +/- 0.68   0.029% *  0.1734% (0.53   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU  123  11.09 +/- 0.57   0.033% *  0.1237% (0.38   0.02   0.02) =   0.000%
          HA    LEU   40 - QD1   LEU  123  11.47 +/- 0.93   0.014% *  0.1734% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD1   LEU  123  12.81 +/- 0.83   0.007% *  0.2859% (0.87   0.02   0.02) =   0.000%
          HA    ASN   35 - QD1   LEU  123  17.68 +/- 1.00   0.001% *  0.3181% (0.97   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD1   LEU  123  15.34 +/- 0.63   0.003% *  0.1124% (0.34   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU  123  20.02 +/- 1.21   0.001% *  0.1124% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 6.01, residual support = 197.2:
    * O T HB2   LEU  123 - QD1   LEU  123   2.68 +/- 0.32  98.074% * 97.8037% (1.00   6.01 197.19) =  99.998%  kept
          HB2   LYS+ 121 - QD1   LEU  123   5.47 +/- 0.26   1.755% *  0.1004% (0.31   0.02   2.34) =   0.002%
          QD    LYS+  99 - QD1   LEU  123   9.22 +/- 0.85   0.091% *  0.1337% (0.41   0.02   0.02) =   0.000%
          QD    LYS+  65 - QD1   LEU  123   9.88 +/- 0.53   0.052% *  0.1110% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  123  12.92 +/- 0.34   0.010% *  0.1458% (0.45   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  123  14.81 +/- 0.55   0.004% *  0.2917% (0.90   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  123  15.28 +/- 1.00   0.004% *  0.3003% (0.92   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD1   LEU  123  15.85 +/- 1.45   0.004% *  0.1842% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD1   LEU  123  15.25 +/- 0.58   0.004% *  0.2104% (0.65   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  123  17.27 +/- 0.46   0.002% *  0.3246% (1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  123  18.44 +/- 0.68   0.001% *  0.2605% (0.80   0.02   0.02) =   0.000%
          HB    VAL   83 - QD1   LEU  123  22.77 +/- 0.48   0.000% *  0.1337% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1602 (1.63, 0.86, 26.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 0.02, residual support = 197.1:
    * O T HB3   LEU  123 - QD1   LEU  123   3.07 +/- 0.04  99.952% * 22.0833% (1.00   0.02 197.19) =  99.962%  kept
          QB    ALA   57 - QD1   LEU  123  12.02 +/- 0.40   0.028% * 19.1557% (0.87   0.02   0.02) =   0.024%
          HD3   LYS+ 111 - QD1   LEU  123  15.58 +/- 0.53   0.006% * 19.8050% (0.90   0.02   0.02) =   0.005%
          HD2   LYS+  74 - QD1   LEU  123  14.75 +/- 0.73   0.008% * 12.5025% (0.57   0.02   0.02) =   0.005%
          QD    LYS+  33 - QD1   LEU  123  17.19 +/- 1.28   0.004% * 22.0833% (1.00   0.02   0.02) =   0.004%
          HG3   ARG+  54 - QD1   LEU  123  18.40 +/- 0.80   0.002% *  4.3703% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 14 structures by 0.30 A, eliminated.
    Peak unassigned.
 
    Peak 1603 (1.85, 0.86, 26.01 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.62, residual support = 197.2:
    * O T HG    LEU  123 - QD1   LEU  123   2.13 +/- 0.01  95.368% * 96.1645% (0.69   5.62 197.19) =  99.996%  kept
          QB    LYS+  66 - QD1   LEU  123   3.72 +/- 0.50   4.579% *  0.0769% (0.15   0.02   0.02) =   0.004%
          HB3   ASP- 105 - QD1   LEU  123   8.52 +/- 0.45   0.024% *  0.4164% (0.84   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   LEU  123   9.21 +/- 0.87   0.020% *  0.4602% (0.92   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   LEU  123  11.71 +/- 0.25   0.003% *  0.2623% (0.53   0.02   0.02) =   0.000%
          HB    ILE  103 - QD1   LEU  123  14.82 +/- 0.56   0.001% *  0.4471% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU  123  14.59 +/- 0.83   0.001% *  0.2050% (0.41   0.02   0.02) =   0.000%
          HB    VAL   41 - QD1   LEU  123  13.76 +/- 0.81   0.001% *  0.1386% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   LEU  123  16.41 +/- 0.98   0.000% *  0.3620% (0.73   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   LEU  123  17.80 +/- 0.58   0.000% *  0.4324% (0.87   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   LEU  123  13.81 +/- 0.40   0.001% *  0.0873% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   LEU  123  17.58 +/- 0.64   0.000% *  0.3424% (0.69   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   LEU  123  24.65 +/- 0.45   0.000% *  0.3225% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   LEU  123  25.01 +/- 0.37   0.000% *  0.2822% (0.57   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 = 4.92, residual support = 197.2:
    * O T QD2   LEU  123 - QD1   LEU  123   2.11 +/- 0.01  99.919% * 99.7223% (1.00   4.92 197.19) = 100.000%  kept
          HG3   LYS+ 121 - QD1   LEU  123   7.24 +/- 0.25   0.064% *  0.1974% (0.49   0.02   2.34) =   0.000%
        T HB3   LEU  104 - QD1   LEU  123   9.12 +/- 0.64   0.017% *  0.0803% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1606 (4.38, 0.82, 23.66 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 197.2:
    *   T HA    LEU  123 - QD2   LEU  123   2.88 +/- 0.13  99.932% * 97.9715% (1.00   4.75 197.19) = 100.000%  kept
          HA    ILE   56 - QD2   LEU  123  13.30 +/- 0.40   0.011% *  0.4039% (0.98   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU  123  11.82 +/- 0.62   0.023% *  0.1547% (0.38   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD2   LEU  123  12.74 +/- 0.32   0.014% *  0.2168% (0.53   0.02   0.02) =   0.000%
          HA    LEU   40 - QD2   LEU  123  13.62 +/- 0.90   0.010% *  0.2168% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD2   LEU  123  15.01 +/- 0.72   0.005% *  0.3575% (0.87   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU  123  16.26 +/- 0.70   0.003% *  0.1406% (0.34   0.02   0.02) =   0.000%
          HA    ASN   35 - QD2   LEU  123  19.77 +/- 0.98   0.001% *  0.3977% (0.97   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU  123  20.49 +/- 1.37   0.001% *  0.1406% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1607 (1.68, 0.82, 23.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 197.2:
    * O T HB2   LEU  123 - QD2   LEU  123   3.00 +/- 0.05  99.507% * 97.2402% (1.00   4.76 197.19) =  99.999%  kept
        T HB2   LYS+ 121 - QD2   LEU  123   7.80 +/- 0.24   0.332% *  0.1262% (0.31   0.02   2.34) =   0.000%
          QD    LYS+  65 - QD2   LEU  123   9.91 +/- 0.78   0.092% *  0.1394% (0.34   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD2   LEU  123  11.00 +/- 0.77   0.046% *  0.1680% (0.41   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU  123  16.23 +/- 0.69   0.004% *  0.3666% (0.90   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU  123  15.13 +/- 0.33   0.006% *  0.1833% (0.45   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU  123  17.34 +/- 1.01   0.003% *  0.3773% (0.92   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU  123  17.45 +/- 1.49   0.004% *  0.2314% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD2   LEU  123  17.33 +/- 0.63   0.003% *  0.2644% (0.65   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU  123  18.96 +/- 0.55   0.002% *  0.4078% (1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU  123  20.48 +/- 0.82   0.001% *  0.3273% (0.80   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU  123  25.04 +/- 0.49   0.000% *  0.1680% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.64 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 = 4.55, residual support = 197.2:
    * O T HB3   LEU  123 - QD2   LEU  123   2.15 +/- 0.01  99.996% * 98.4732% (1.00   4.55 197.19) = 100.000%  kept
          QB    ALA   57 - QD2   LEU  123  12.92 +/- 0.46   0.002% *  0.3754% (0.87   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU  123  17.10 +/- 0.51   0.000% *  0.3881% (0.90   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD2   LEU  123  16.50 +/- 0.90   0.001% *  0.2450% (0.57   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD2   LEU  123  18.67 +/- 1.33   0.000% *  0.4327% (1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD2   LEU  123  19.27 +/- 0.88   0.000% *  0.0856% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 197.2:
    * O T HG    LEU  123 - QD2   LEU  123   2.13 +/- 0.00  97.523% * 95.1988% (0.69   4.44 197.19) =  99.997%  kept
          QB    LYS+  66 - QD2   LEU  123   4.32 +/- 0.66   2.451% *  0.0963% (0.15   0.02   0.02) =   0.003%
          HG3   PRO   68 - QD2   LEU  123   9.48 +/- 0.97   0.016% *  0.5761% (0.92   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD2   LEU  123  11.04 +/- 0.40   0.005% *  0.5213% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD2   LEU  123  13.87 +/- 0.24   0.001% *  0.3283% (0.53   0.02   0.02) =   0.000%
          HB    ILE  103 - QD2   LEU  123  17.30 +/- 0.49   0.000% *  0.5597% (0.90   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD2   LEU  123  18.00 +/- 0.97   0.000% *  0.4532% (0.73   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD2   LEU  123  18.76 +/- 0.60   0.000% *  0.5413% (0.87   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU  123  15.98 +/- 0.74   0.001% *  0.1735% (0.28   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  123  17.10 +/- 0.78   0.000% *  0.2566% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  123  18.97 +/- 0.67   0.000% *  0.4287% (0.69   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD2   LEU  123  15.31 +/- 0.36   0.001% *  0.1093% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD2   LEU  123  26.65 +/- 0.50   0.000% *  0.4037% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD2   LEU  123  26.89 +/- 0.45   0.000% *  0.3533% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1610 (0.86, 0.82, 23.66 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.92, residual support = 197.2:
    * O T QD1   LEU  123 - QD2   LEU  123   2.11 +/- 0.01  99.921% * 98.4250% (1.00   4.92 197.19) = 100.000%  kept
          QG1   VAL   70 - QD2   LEU  123   8.06 +/- 0.65   0.037% *  0.3695% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  123   8.19 +/- 0.63   0.034% *  0.1365% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU  123  11.50 +/- 0.51   0.004% *  0.3343% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD2   LEU  123  12.76 +/- 0.65   0.002% *  0.3343% (0.84   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  123  14.37 +/- 0.74   0.001% *  0.4003% (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 = 1.1, residual support = 9.82:
    * O T QB    ALA  124 - HA    ALA  124   2.14 +/- 0.02  99.671% * 85.6500% (1.00   1.10   9.82) = 100.000%  kept
          HG2   LYS+  38 - HA    ALA   34   6.47 +/- 0.59   0.205% *  0.0401% (0.03   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   34   9.01 +/- 1.40   0.034% *  0.1764% (0.11   0.02   0.02) =   0.000%
        T HB2   LEU   31 - HA    ALA   34   8.12 +/- 0.17   0.034% *  0.1164% (0.07   0.02   3.88) =   0.000%
          HG2   LYS+  99 - HA    ALA   34   8.12 +/- 0.70   0.040% *  0.0555% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA  124  15.06 +/- 0.50   0.001% *  1.3939% (0.90   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA  124  19.10 +/- 0.88   0.000% *  1.5235% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   34  10.18 +/- 0.44   0.009% *  0.0315% (0.02   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA  124  16.23 +/- 1.06   0.001% *  0.4797% (0.31   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA  124  19.86 +/- 0.52   0.000% *  1.5000% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA  124  17.55 +/- 0.75   0.000% *  0.5302% (0.34   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   34  15.46 +/- 0.31   0.001% *  0.1737% (0.11   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   34  15.41 +/- 0.51   0.001% *  0.1614% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA  124  20.62 +/- 0.73   0.000% *  0.8800% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA  124  23.03 +/- 0.57   0.000% *  1.3939% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   34  13.72 +/- 1.22   0.002% *  0.0356% (0.02   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA  124  19.94 +/- 1.71   0.000% *  0.3076% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA  124  20.32 +/- 0.69   0.000% *  0.3876% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   34  15.59 +/- 0.78   0.001% *  0.0614% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   34  18.01 +/- 0.34   0.000% *  0.1441% (0.09   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ALA   34  19.07 +/- 1.09   0.000% *  0.1800% (0.12   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA   34  19.16 +/- 0.38   0.000% *  0.1661% (0.11   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA  124  28.68 +/- 0.54   0.000% *  1.4348% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA  124  23.28 +/- 0.99   0.000% *  0.3460% (0.22   0.02   0.02) =   0.000%
        T HB2   LEU   31 - HA    ALA  124  27.96 +/- 0.89   0.000% *  1.0055% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   34  22.33 +/- 0.83   0.000% *  0.1614% (0.10   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA  124  24.72 +/- 0.57   0.000% *  0.2722% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA  124  32.02 +/- 0.73   0.000% *  1.2446% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   34  26.38 +/- 0.40   0.000% *  0.1019% (0.07   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   34  27.94 +/- 0.46   0.000% *  0.0449% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 1.1, residual support = 9.82:
    * O T HA    ALA  124 - QB    ALA  124   2.14 +/- 0.02  99.995% * 93.3221% (1.00   1.10   9.82) = 100.000%  kept
          HA    LEU  115 - QB    ALA  124  11.52 +/- 0.53   0.004% *  0.8243% (0.49   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA  124  20.99 +/- 0.41   0.000% *  1.6600% (0.98   0.02   0.02) =   0.000%
        T HA    ALA   34 - QB    ALA  124  19.07 +/- 1.09   0.000% *  0.5777% (0.34   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA  124  18.37 +/- 1.11   0.000% *  0.3351% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA  124  22.84 +/- 1.33   0.000% *  1.0956% (0.65   0.02   0.02) =   0.000%
        T HA    ASN   28 - QB    ALA  124  24.97 +/- 1.20   0.000% *  0.8910% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA  124  30.25 +/- 0.77   0.000% *  1.2942% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 5.95, residual support = 197.2:
    * O T HB3   LEU  123 - HB2   LEU  123   1.75 +/- 0.00 100.000% * 98.8276% (1.00   5.95 197.19) = 100.000%  kept
          QB    ALA   57 - HB2   LEU  123  16.27 +/- 0.38   0.000% *  0.2882% (0.87   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   LEU  123  18.52 +/- 0.55   0.000% *  0.2980% (0.90   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB2   LEU  123  20.28 +/- 0.80   0.000% *  0.1881% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LEU  123  23.03 +/- 1.43   0.000% *  0.3323% (1.00   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   LEU  123  24.07 +/- 0.89   0.000% *  0.0658% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1634 (1.63, 1.63, 43.16 ppm):
    1 diagonal assignment:
    *     HB3   LEU  123 - HB3   LEU  123  (1.00)  kept
 
    Peak 1635 (1.68, 1.63, 43.16 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.95, residual support = 197.2:
      O T HB2   LEU  123 - HB3   LEU  123   1.75 +/- 0.00  99.989% * 97.7690% (0.99   5.95 197.19) = 100.000%  kept
          HB2   LYS+ 121 - HB3   LEU  123   8.24 +/- 0.33   0.010% *  0.1245% (0.38   0.02   2.34) =   0.000%
          QD    LYS+  99 - HB3   LEU  123  12.65 +/- 0.83   0.001% *  0.1131% (0.34   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LEU  123  14.19 +/- 0.84   0.000% *  0.1363% (0.41   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB3   LEU  123  19.73 +/- 1.31   0.000% *  0.3201% (0.97   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU  123  19.29 +/- 0.78   0.000% *  0.2770% (0.84   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU  123  17.66 +/- 0.42   0.000% *  0.1245% (0.38   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LEU  123  20.56 +/- 1.47   0.000% *  0.2145% (0.65   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU  123  23.57 +/- 0.43   0.000% *  0.3309% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB3   LEU  123  21.71 +/- 0.65   0.000% *  0.1878% (0.57   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU  123  24.92 +/- 0.87   0.000% *  0.2408% (0.73   0.02   0.02) =   0.000%
        T HB    VAL   83 - HB3   LEU  123  30.60 +/- 0.59   0.000% *  0.1614% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1636 (0.86, 1.63, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.86, residual support = 197.2:
    * O T QD1   LEU  123 - HB3   LEU  123   3.07 +/- 0.04  99.850% * 98.6756% (1.00   5.86 197.19) = 100.000%  kept
          QG1   VAL   70 - HB3   LEU  123  10.25 +/- 0.54   0.076% *  0.3107% (0.92   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  12.77 +/- 0.61   0.020% *  0.2811% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU  123  11.12 +/- 0.62   0.047% *  0.1148% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB3   LEU  123  16.58 +/- 0.67   0.004% *  0.2811% (0.84   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB3   LEU  123  18.04 +/- 0.68   0.002% *  0.3366% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1637 (0.82, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 197.2:
    * O T QD2   LEU  123 - HB3   LEU  123   2.15 +/- 0.01  99.986% * 99.7000% (1.00   4.55 197.19) = 100.000%  kept
          HG3   LYS+ 121 - HB3   LEU  123   9.88 +/- 0.40   0.011% *  0.2133% (0.49   0.02   2.34) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  12.77 +/- 0.61   0.002% *  0.0867% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 5.24, residual support = 197.2:
    * O T HG    LEU  123 - HB3   LEU  123   2.77 +/- 0.04  99.568% * 95.9020% (0.69   5.24 197.19) = 100.000%  kept
          QB    LYS+  66 - HB3   LEU  123   7.17 +/- 0.57   0.398% *  0.0822% (0.15   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HB3   LEU  123  13.00 +/- 1.32   0.014% *  0.4917% (0.92   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   LEU  123  12.41 +/- 0.51   0.013% *  0.4449% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   LEU  123  16.07 +/- 0.40   0.003% *  0.2802% (0.53   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   LEU  123  19.80 +/- 0.60   0.001% *  0.4777% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   LEU  123  19.89 +/- 0.95   0.001% *  0.2190% (0.41   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB3   LEU  123  22.30 +/- 1.04   0.000% *  0.3868% (0.73   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU  123  19.46 +/- 0.77   0.001% *  0.1481% (0.28   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB3   LEU  123  24.28 +/- 0.59   0.000% *  0.4620% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB3   LEU  123  23.69 +/- 0.72   0.000% *  0.3659% (0.69   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   LEU  123  19.37 +/- 0.29   0.001% *  0.0933% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   LEU  123  32.62 +/- 0.50   0.000% *  0.3446% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   LEU  123  33.04 +/- 0.43   0.000% *  0.3016% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 5.84, residual support = 197.2:
    * O T HA    LEU  123 - HB3   LEU  123   2.49 +/- 0.05  99.993% * 98.3430% (1.00   5.84 197.19) = 100.000%  kept
          HA    ASP- 113 - HB3   LEU  123  15.29 +/- 0.34   0.002% *  0.1771% (0.53   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  123  17.15 +/- 0.33   0.001% *  0.3300% (0.98   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   LEU  123  16.26 +/- 0.95   0.001% *  0.1771% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  123  17.61 +/- 0.77   0.001% *  0.2920% (0.87   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  123  16.20 +/- 0.61   0.001% *  0.1263% (0.38   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   LEU  123  23.68 +/- 0.98   0.000% *  0.3249% (0.97   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LEU  123  21.34 +/- 0.64   0.000% *  0.1148% (0.34   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  123  26.51 +/- 1.51   0.000% *  0.1148% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1657 (1.50, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.23, residual support = 314.7:
    * O   HD2   LYS+ 121 - HD3   LYS+ 121   1.75 +/- 0.00  96.478% * 98.2214% (1.00   5.23 314.74) =  99.996%  kept
      O   HB3   LYS+ 121 - HD3   LYS+ 121   3.41 +/- 0.50   3.514% *  0.1160% (0.31   0.02 314.74) =   0.004%
          HG    LEU  104 - HD3   LYS+ 121   9.90 +/- 1.28   0.004% *  0.1160% (0.31   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD3   LYS+ 121  12.89 +/- 0.94   0.001% *  0.3008% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD3   LYS+ 121  11.63 +/- 1.60   0.002% *  0.0836% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 121  12.06 +/- 1.14   0.001% *  0.0658% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD3   LYS+ 121  18.50 +/- 0.71   0.000% *  0.3724% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD3   LYS+ 121  19.46 +/- 0.92   0.000% *  0.2871% (0.76   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 121  22.01 +/- 0.89   0.000% *  0.3626% (0.97   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD3   LYS+ 121  19.07 +/- 1.04   0.000% *  0.0743% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1658 (1.41, 1.41, 29.95 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 121 - HD3   LYS+ 121  (1.00)  kept
 
    Peak 1659 (1.15, 1.41, 29.95 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 314.7:
    * O   HG2   LYS+ 121 - HD3   LYS+ 121   2.91 +/- 0.17  99.334% * 99.1172% (1.00   6.28 314.74) =  99.998%  kept
          QG2   VAL  107 - HD3   LYS+ 121   7.96 +/- 1.33   0.426% *  0.2913% (0.92   0.02   0.02) =   0.001%
          HG13  ILE  119 - HD3   LYS+ 121   8.61 +/- 0.87   0.206% *  0.0974% (0.31   0.02   0.71) =   0.000%
          HG13  ILE  103 - HD3   LYS+ 121  11.59 +/- 1.02   0.032% *  0.1536% (0.49   0.02   0.02) =   0.000%
          QB    ALA   20 - HD3   LYS+ 121  20.31 +/- 0.74   0.001% *  0.2527% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+ 121  21.08 +/- 1.55   0.001% *  0.0878% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 314.7:
    * O T HG3   LYS+ 121 - HD3   LYS+ 121   2.62 +/- 0.25  99.906% * 99.4488% (1.00   5.98 314.74) = 100.000%  kept
          QD2   LEU  123 - HD3   LYS+ 121   9.42 +/- 0.66   0.068% *  0.1619% (0.49   0.02   2.34) =   0.000%
        T QD1   ILE   56 - HD3   LYS+ 121  11.24 +/- 1.28   0.023% *  0.2018% (0.61   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HD3   LYS+ 121  15.04 +/- 1.53   0.004% *  0.1135% (0.34   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+ 121  21.97 +/- 1.49   0.000% *  0.0741% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 7.08, residual support = 314.7:
    * O   HB2   LYS+ 121 - HD3   LYS+ 121   2.61 +/- 0.48  99.826% * 98.5398% (1.00   7.08 314.74) = 100.000%  kept
          HB2   LEU  123 - HD3   LYS+ 121   8.32 +/- 0.80   0.147% *  0.0859% (0.31   0.02   2.34) =   0.000%
          QD    LYS+ 102 - HD3   LYS+ 121  13.47 +/- 1.46   0.011% *  0.1465% (0.53   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+ 121  13.62 +/- 1.83   0.008% *  0.0774% (0.28   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   LYS+ 121  18.32 +/- 1.77   0.002% *  0.2497% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD3   LYS+ 121  17.96 +/- 0.52   0.001% *  0.2778% (1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+ 121  15.97 +/- 0.92   0.003% *  0.0859% (0.31   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD3   LYS+ 121  18.32 +/- 1.11   0.001% *  0.1689% (0.61   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+ 121  18.55 +/- 1.37   0.001% *  0.0950% (0.34   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+ 121  24.36 +/- 1.56   0.000% *  0.2729% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1662 (2.75, 1.41, 29.95 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.86, residual support = 314.7:
    * O   QE    LYS+ 121 - HD3   LYS+ 121   2.35 +/- 0.13  99.852% * 99.2798% (1.00   5.86 314.74) = 100.000%  kept
          HB3   HIS  122 - HD3   LYS+ 121   7.38 +/- 0.73   0.148% *  0.2831% (0.84   0.02  49.33) =   0.000%
          HG2   GLN   30 - HD3   LYS+ 121  24.23 +/- 1.11   0.000% *  0.2328% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+ 121  26.67 +/- 1.29   0.000% *  0.1520% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+ 121  26.97 +/- 1.37   0.000% *  0.0523% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1663 (3.94, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 6.66, residual support = 314.5:
    *   T HA    LYS+ 121 - HD3   LYS+ 121   3.75 +/- 0.62  77.749% * 98.2394% (1.00   6.66 314.74) =  99.929%  kept
          QB    SER  117 - HD3   LYS+ 121   5.61 +/- 1.70  20.742% *  0.2464% (0.84   0.02   0.02) =   0.067%
          HA    ALA  120 - HD3   LYS+ 121   7.44 +/- 0.79   1.372% *  0.2254% (0.76   0.02   2.28) =   0.004%
          HB    THR   94 - HD3   LYS+ 121  14.76 +/- 1.29   0.037% *  0.2923% (0.99   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+ 121  12.57 +/- 0.80   0.082% *  0.0820% (0.28   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+ 121  17.69 +/- 0.69   0.009% *  0.1006% (0.34   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 121  24.39 +/- 1.05   0.001% *  0.2790% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 121  21.21 +/- 1.07   0.003% *  0.1213% (0.41   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 121  24.89 +/- 1.38   0.001% *  0.2923% (0.99   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 121  27.38 +/- 1.14   0.001% *  0.1213% (0.41   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1665 (1.50, 1.52, 32.89 ppm):
    1 diagonal assignment:
          HB3   LYS+ 121 - HB3   LYS+ 121  (0.26)  kept
    Reference assignment not found: HD2   LYS+ 121 - HB3   LYS+ 121
 
    Peak 1666 (1.52, 1.52, 32.89 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 121 - HB3   LYS+ 121  (0.70)  kept
 
    Peak 1667 (1.15, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 7.78, residual support = 314.7:
    * O T HG2   LYS+ 121 - HB3   LYS+ 121   2.76 +/- 0.19  99.441% * 99.2857% (0.84   7.78 314.74) =  99.999%  kept
          QG2   VAL  107 - HB3   LYS+ 121   8.08 +/- 0.35   0.167% *  0.2357% (0.77   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB3   LYS+ 121   7.14 +/- 0.64   0.369% *  0.0788% (0.26   0.02   0.71) =   0.000%
          HG13  ILE  103 - HB3   LYS+ 121  11.67 +/- 0.69   0.021% *  0.1243% (0.41   0.02   0.02) =   0.000%
          QB    ALA   20 - HB3   LYS+ 121  19.15 +/- 0.46   0.001% *  0.2045% (0.67   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB3   LYS+ 121  20.24 +/- 0.85   0.001% *  0.0710% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 7.1, residual support = 314.7:
    * O T HG3   LYS+ 121 - HB3   LYS+ 121   2.36 +/- 0.13  99.911% * 99.5356% (0.84   7.10 314.74) = 100.000%  kept
          QD2   LEU  123 - HB3   LYS+ 121   7.93 +/- 0.26   0.075% *  0.1364% (0.41   0.02   2.34) =   0.000%
          QD1   ILE   56 - HB3   LYS+ 121  10.96 +/- 0.47   0.011% *  0.1700% (0.51   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HB3   LYS+ 121  13.81 +/- 0.89   0.003% *  0.0956% (0.28   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   LYS+ 121  21.07 +/- 1.45   0.000% *  0.0624% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 8.94, residual support = 314.7:
    * O T HB2   LYS+ 121 - HB3   LYS+ 121   1.75 +/- 0.00  99.967% * 98.8407% (0.84   8.94 314.74) = 100.000%  kept
          HB2   LEU  123 - HB3   LYS+ 121   6.81 +/- 0.39   0.031% *  0.0682% (0.26   0.02   2.34) =   0.000%
        T QD    LYS+ 102 - HB3   LYS+ 121  13.79 +/- 1.43   0.001% *  0.1163% (0.44   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+ 121  16.16 +/- 0.36   0.000% *  0.2206% (0.83   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LYS+ 121  17.51 +/- 1.04   0.000% *  0.1983% (0.75   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB3   LYS+ 121  14.66 +/- 0.89   0.000% *  0.0615% (0.23   0.02   0.02) =   0.000%
          QB    ALA   57 - HB3   LYS+ 121  15.07 +/- 0.18   0.000% *  0.0682% (0.26   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB3   LYS+ 121  17.15 +/- 0.63   0.000% *  0.1341% (0.51   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+ 121  18.41 +/- 0.36   0.000% *  0.0754% (0.28   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+ 121  24.02 +/- 0.83   0.000% *  0.2167% (0.82   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 = 0.812, support = 6.74, residual support = 269.5:
    *     QE    LYS+ 121 - HB3   LYS+ 121   3.99 +/- 0.33  74.861% * 61.9139% (0.84   7.06 314.74) =  82.966%  kept
          HB3   HIS  122 - HB3   LYS+ 121   5.00 +/- 0.63  25.135% * 37.8598% (0.70   5.17  49.33) =  17.034%  kept
        T HG2   GLN   30 - HB3   LYS+ 121  22.89 +/- 0.69   0.002% *  0.1205% (0.57   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB3   LYS+ 121  25.81 +/- 0.87   0.001% *  0.0787% (0.37   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB3   LYS+ 121  26.41 +/- 0.57   0.001% *  0.0271% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.54 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 = 8.29, residual support = 314.7:
    * O T HA    LYS+ 121 - HB3   LYS+ 121   2.86 +/- 0.07  97.890% * 98.5812% (0.84   8.30 314.74) =  99.996%  kept
          HA    ALA  120 - HB3   LYS+ 121   5.99 +/- 0.27   1.171% *  0.1816% (0.64   0.02   2.28) =   0.002%
          QB    SER  117 - HB3   LYS+ 121   6.43 +/- 0.66   0.897% *  0.1985% (0.70   0.02   0.02) =   0.002%
          HA    PHE   60 - HB3   LYS+ 121  10.97 +/- 0.25   0.031% *  0.0661% (0.23   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LYS+ 121  14.81 +/- 0.22   0.005% *  0.2356% (0.83   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB3   LYS+ 121  15.56 +/- 0.47   0.004% *  0.0811% (0.28   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LYS+ 121  19.16 +/- 0.96   0.001% *  0.0977% (0.34   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LYS+ 121  23.77 +/- 0.45   0.000% *  0.2248% (0.79   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LYS+ 121  24.41 +/- 0.51   0.000% *  0.2356% (0.83   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LYS+ 121  27.25 +/- 0.43   0.000% *  0.0977% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.823, support = 8.86, residual support = 314.7:
    * O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  90.567% * 59.6597% (0.84   8.94 314.74) =  93.534%  kept
      O T HD2   LYS+ 121 - HB2   LYS+ 121   2.93 +/- 0.63   9.427% * 39.6189% (0.65   7.67 314.74) =   6.466%  kept
          HG    LEU  104 - HB2   LYS+ 121   9.97 +/- 0.58   0.003% *  0.1334% (0.84   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HB2   LYS+ 121  10.98 +/- 0.83   0.002% *  0.1542% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  11.65 +/- 0.58   0.001% *  0.1160% (0.73   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.47 +/- 0.43   0.000% *  0.0904% (0.57   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  17.87 +/- 0.47   0.000% *  0.1097% (0.69   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  18.21 +/- 0.35   0.000% *  0.0398% (0.25   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  21.27 +/- 0.44   0.000% *  0.0778% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1674 (1.52, 3.94, 58.66 ppm):
    18 chemical-shift based assignments, quality = 0.778, support = 7.92, residual support = 309.9:
    * O T HB3   LYS+ 121 - HA    LYS+ 121   2.86 +/- 0.07  44.435% * 58.2245% (0.84   8.30 314.74) =  74.826%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.48 +/- 0.73  20.759% * 39.3841% (0.65   7.24 314.74) =  23.646%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   3.10 +/- 0.55  33.539% *  1.5751% (0.04   5.27 160.36) =   1.528%
        T QD    LYS+  66 - HA    LYS+  65   5.44 +/- 0.73   1.217% *  0.0102% (0.06   0.02  27.52) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  10.80 +/- 0.47   0.015% *  0.1404% (0.84   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HA    LYS+ 121  11.36 +/- 0.76   0.013% *  0.1622% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  13.85 +/- 0.31   0.004% *  0.1220% (0.73   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.85 +/- 0.32   0.001% *  0.0952% (0.57   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  20.39 +/- 0.46   0.000% *  0.1154% (0.69   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  13.39 +/- 0.88   0.004% *  0.0072% (0.04   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.31 +/- 0.58   0.008% *  0.0026% (0.02   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  15.56 +/- 0.47   0.002% *  0.0088% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  20.59 +/- 0.42   0.000% *  0.0419% (0.25   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  23.04 +/- 0.25   0.000% *  0.0818% (0.49   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  17.26 +/- 0.58   0.001% *  0.0088% (0.05   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.77 +/- 0.55   0.002% *  0.0051% (0.03   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  18.17 +/- 1.01   0.001% *  0.0068% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.77 +/- 0.31   0.000% *  0.0077% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 0.958, support = 6.6, residual support = 308.1:
    *   T HD3   LYS+ 121 - HA    LYS+ 121   3.75 +/- 0.62  17.895% * 97.0602% (1.00   6.66 314.74) =  95.721%  kept
      O T HG3   LYS+  65 - HA    LYS+  65   2.49 +/- 0.54  81.320% *  0.9547% (0.01   5.27 160.36) =   4.279%  kept
          QB    ALA   61 - HA    LYS+  65   6.30 +/- 0.26   0.473% *  0.0056% (0.02   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  13.37 +/- 0.41   0.005% *  0.2528% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+  65   7.13 +/- 0.49   0.231% *  0.0036% (0.01   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 121  12.44 +/- 0.70   0.008% *  0.0577% (0.20   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  12.93 +/- 0.58   0.006% *  0.0577% (0.20   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 121  15.30 +/- 0.23   0.002% *  0.1533% (0.53   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 121  14.83 +/- 0.20   0.003% *  0.0899% (0.31   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  65  11.99 +/- 0.98   0.011% *  0.0111% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  13.47 +/- 0.57   0.005% *  0.0183% (0.06   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  10.42 +/- 0.62   0.024% *  0.0036% (0.01   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  21.97 +/- 0.47   0.000% *  0.2908% (1.00   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  13.38 +/- 1.52   0.006% *  0.0111% (0.04   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  18.01 +/- 0.47   0.001% *  0.0577% (0.20   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 121  22.96 +/- 0.41   0.000% *  0.1768% (0.61   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  25.46 +/- 1.64   0.000% *  0.1768% (0.61   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.77 +/- 0.47   0.001% *  0.0159% (0.05   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+ 121  27.29 +/- 0.52   0.000% *  0.2812% (0.97   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  17.69 +/- 0.69   0.001% *  0.0183% (0.06   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  20.76 +/- 0.26   0.000% *  0.0450% (0.15   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  65  16.39 +/- 0.33   0.001% *  0.0096% (0.03   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  23.90 +/- 1.42   0.000% *  0.0727% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  14.40 +/- 0.55   0.004% *  0.0028% (0.01   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 121  27.12 +/- 1.20   0.000% *  0.1418% (0.49   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  17.65 +/- 1.47   0.001% *  0.0046% (0.02   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  65  23.47 +/- 0.54   0.000% *  0.0177% (0.06   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  65  23.27 +/- 1.15   0.000% *  0.0089% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1676 (2.75, 2.75, 41.87 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 121 - QE    LYS+ 121  (1.00)  kept
 
    Peak 1684 (0.24, 0.24, 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 = 230.3:
    * O T HB2   LEU  115 - HB3   LEU  115   1.75 +/- 0.00  99.867% * 98.6222% (1.00   6.14 230.30) = 100.000%  kept
          QB    GLU- 114 - HB3   LEU  115   5.73 +/- 0.30   0.088% *  0.0991% (0.31   0.02  19.72) =   0.000%
          HG3   PRO   58 - HB3   LEU  115   8.43 +/- 0.68   0.010% *  0.3204% (1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU   40   7.44 +/- 0.91   0.025% *  0.0302% (0.09   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  13.50 +/- 0.91   0.001% *  0.2571% (0.80   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   40  11.78 +/- 2.33   0.006% *  0.0169% (0.05   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  13.35 +/- 0.95   0.001% *  0.1690% (0.53   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.86 +/- 0.47   0.001% *  0.0893% (0.28   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  12.60 +/- 1.40   0.001% *  0.0198% (0.06   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU  115  18.39 +/- 0.72   0.000% *  0.1440% (0.45   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU   40  12.65 +/- 0.79   0.001% *  0.0141% (0.04   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU  115  18.17 +/- 0.83   0.000% *  0.1205% (0.38   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HB3   LEU   40  17.60 +/- 0.61   0.000% *  0.0377% (0.12   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   40  16.70 +/- 0.71   0.000% *  0.0116% (0.04   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   40  20.92 +/- 0.76   0.000% *  0.0376% (0.12   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  25.20 +/- 0.65   0.000% *  0.0105% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1695 (1.46, 1.46, 42.01 ppm):
    2 diagonal assignments:
    *     HB3   LEU  115 - HB3   LEU  115  (1.00)  kept
          HB3   LEU   40 - HB3   LEU   40  (0.04)  kept
 
    Peak 1704 (2.43, 2.43, 41.54 ppm):
    2 diagonal assignments:
    *     QE    LYS+ 112 - QE    LYS+ 112  (0.70)  kept
          HB3   ASP-  62 - HB3   ASP-  62  (0.07)  kept
 
    Peak 1709 (1.37, 1.19, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 7.16, residual support = 236.3:
    * O T HB2   LYS+ 112 - HB3   LYS+ 112   1.75 +/- 0.00  99.996% * 97.7544% (1.00   7.16 236.33) = 100.000%  kept
          HB3   PRO   93 - HB3   LYS+ 112  10.16 +/- 0.81   0.003% *  0.1329% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LYS+ 112  17.20 +/- 0.56   0.000% *  0.2676% (0.98   0.02   0.02) =   0.000%
        T HB    VAL   42 - HB3   LYS+ 112  17.98 +/- 0.61   0.000% *  0.2583% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HB3   LYS+ 112  18.31 +/- 1.15   0.000% *  0.2583% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 112  13.78 +/- 0.58   0.000% *  0.0421% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 112  15.51 +/- 0.81   0.000% *  0.0681% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB3   LYS+ 112  22.32 +/- 0.63   0.000% *  0.2676% (0.98   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 112  20.63 +/- 0.57   0.000% *  0.1224% (0.45   0.02   0.02) =   0.000%
          QB    LEU   98 - HB3   LYS+ 112  20.53 +/- 0.40   0.000% *  0.0759% (0.28   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 112  21.88 +/- 1.28   0.000% *  0.0931% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HB3   LYS+ 112  27.69 +/- 0.84   0.000% *  0.2706% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HB3   LYS+ 112  30.15 +/- 1.09   0.000% *  0.2449% (0.90   0.02   0.02) =   0.000%
          QB    ALA   12 - HB3   LYS+ 112  28.22 +/- 1.89   0.000% *  0.1437% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.54 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 = 0.908, support = 4.4, residual support = 236.3:
    * O   HD2   LYS+ 112 - HD3   LYS+ 112   1.75 +/- 0.00  83.470% * 49.0602% (0.95   4.16 236.33) =  83.111%  kept
      O   HB3   LYS+ 112 - HD3   LYS+ 112   2.39 +/- 0.36  16.526% * 50.3560% (0.72   5.59 236.33) =  16.889%  kept
          HG3   LYS+ 111 - HD3   LYS+ 112   9.34 +/- 0.28   0.004% *  0.0885% (0.36   0.02  26.37) =   0.000%
          QG2   THR   94 - HD3   LYS+ 112  12.36 +/- 0.49   0.001% *  0.1888% (0.76   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 112  24.08 +/- 1.04   0.000% *  0.2337% (0.94   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 112  24.24 +/- 0.70   0.000% *  0.0728% (0.29   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1717 (1.11, 1.11, 29.98 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 112 - HD3   LYS+ 112  (0.89)  kept
 
    Peak 1724 (2.02, 1.53, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.992, support = 6.64, residual support = 311.1:
    * O   HB2   LYS+ 111 - HB3   LYS+ 111   1.75 +/- 0.00  88.467% * 92.5116% (1.00   6.69 313.66) =  99.180%  kept
          QB    GLU- 114 - HB3   LYS+ 111   2.70 +/- 0.45  11.531% *  5.8698% (0.57   0.75   1.93) =   0.820%
          HB    ILE  119 - HB3   LYS+ 111  11.09 +/- 0.43   0.001% *  0.0616% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LYS+ 111  22.48 +/- 0.78   0.000% *  0.2740% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LYS+ 111  24.49 +/- 0.57   0.000% *  0.2740% (0.99   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LYS+ 111  21.92 +/- 0.33   0.000% *  0.1346% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   LYS+ 111  24.21 +/- 0.52   0.000% *  0.2398% (0.87   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LYS+ 111  23.72 +/- 0.45   0.000% *  0.1137% (0.41   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB3   LYS+ 111  25.39 +/- 0.63   0.000% *  0.1346% (0.49   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   LYS+ 111  23.89 +/- 0.56   0.000% *  0.0616% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LYS+ 111  30.35 +/- 0.57   0.000% *  0.2480% (0.90   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   LYS+ 111  25.44 +/- 0.32   0.000% *  0.0769% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.56 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 = 3.63, residual support = 53.5:
    * O T QG1   VAL  107 - HA    VAL  107   2.35 +/- 0.23  99.946% * 98.7524% (1.00   3.63  53.50) = 100.000%  kept
          HD3   LYS+ 112 - HA    VAL  107  11.87 +/- 0.62   0.007% *  0.3948% (0.73   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107   9.31 +/- 0.87   0.033% *  0.0839% (0.15   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    VAL  107  10.73 +/- 0.54   0.012% *  0.0839% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    VAL  107  18.81 +/- 1.14   0.000% *  0.4542% (0.84   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    VAL  107  20.04 +/- 0.96   0.000% *  0.1356% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.55 +/- 0.81   0.000% *  0.0952% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1748 (1.15, 4.48, 62.32 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 53.5:
    * O T QG2   VAL  107 - HA    VAL  107   2.54 +/- 0.17  99.874% * 98.5100% (1.00   3.31  53.50) = 100.000%  kept
          HG2   LYS+ 121 - HA    VAL  107   9.53 +/- 0.50   0.039% *  0.5491% (0.92   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    VAL  107   9.96 +/- 0.49   0.032% *  0.4319% (0.73   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107   9.31 +/- 0.87   0.054% *  0.0918% (0.15   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    VAL  107  17.51 +/- 0.43   0.001% *  0.3367% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  19.55 +/- 0.81   0.001% *  0.0805% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1750 (1.86, 4.80, 54.18 ppm):
    14 chemical-shift based assignments, quality = 0.981, support = 3.19, residual support = 36.7:
    * O T HB3   ASP- 105 - HA    ASP- 105   3.03 +/- 0.02  85.851% * 43.7493% (1.00   3.00  39.37) =  85.373%  kept
          QB    LYS+ 106 - HA    ASP- 105   4.24 +/- 0.20  11.898% * 54.0455% (0.87   4.27  21.37) =  14.616%  kept
          HB    ILE  103 - HA    ASP- 105   5.92 +/- 0.20   1.579% *  0.2891% (0.99   0.02   5.80) =   0.010%
          HG12  ILE  103 - HA    ASP- 105   6.89 +/- 0.30   0.647% *  0.0450% (0.15   0.02   5.80) =   0.001%
          HG    LEU  123 - HA    ASP- 105  13.87 +/- 0.55   0.010% *  0.0995% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ASP- 105  18.20 +/- 0.55   0.002% *  0.2859% (0.98   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ASP- 105  15.99 +/- 0.41   0.004% *  0.1308% (0.45   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ASP- 105  19.59 +/- 1.20   0.001% *  0.2859% (0.98   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ASP- 105  16.00 +/- 0.77   0.004% *  0.0900% (0.31   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ASP- 105  19.56 +/- 1.00   0.001% *  0.0995% (0.34   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ASP- 105  23.31 +/- 0.59   0.000% *  0.2759% (0.95   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ASP- 105  23.53 +/- 0.58   0.000% *  0.2910% (1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ASP- 105  24.51 +/- 0.47   0.000% *  0.2616% (0.90   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ASP- 105  18.84 +/- 0.61   0.002% *  0.0511% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.09 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 = 3.0, residual support = 39.4:
    * O T HB2   ASP- 105 - HB3   ASP- 105   1.75 +/- 0.00  99.987% * 97.0915% (0.95   3.00  39.37) = 100.000%  kept
          HB2   MET   96 - HB3   ASP- 105   8.58 +/- 0.31   0.007% *  0.4150% (0.61   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP- 105   9.81 +/- 0.56   0.003% *  0.1198% (0.18   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   ASP- 105  13.28 +/- 0.32   0.001% *  0.6707% (0.98   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   ASP- 105  11.28 +/- 0.58   0.001% *  0.1523% (0.22   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP- 105  18.31 +/- 0.86   0.000% *  0.4150% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   ASP- 105  21.53 +/- 0.60   0.000% *  0.6827% (1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   ASP- 105  17.89 +/- 0.57   0.000% *  0.1198% (0.18   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP- 105  22.86 +/- 0.59   0.000% *  0.3331% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.55 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 = 0.834, support = 5.02, residual support = 139.1:
    * O   HG2   LYS+ 106 - HG3   LYS+ 106   1.75 +/- 0.00  49.999% * 66.7618% (1.00   5.05 131.09) =  67.732%  kept
      O   HG2   LYS+  33 - HG3   LYS+  33   1.75 +/- 0.00  49.999% * 31.8054% (0.49   4.95 155.97) =  32.268%  kept
          HG2   LYS+ 106 - HG3   LYS+ 102  11.53 +/- 0.95   0.001% *  0.0482% (0.18   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 106  11.43 +/- 0.34   0.001% *  0.0408% (0.15   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  65  12.16 +/- 1.07   0.001% *  0.0194% (0.07   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 106  18.71 +/- 1.74   0.000% *  0.2022% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 106  15.31 +/- 1.12   0.000% *  0.0463% (0.18   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 106  20.51 +/- 0.98   0.000% *  0.2622% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  33  19.19 +/- 1.21   0.000% *  0.1681% (0.64   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  33  19.71 +/- 1.50   0.000% *  0.1666% (0.63   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+  65  17.64 +/- 1.34   0.000% *  0.0849% (0.32   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  65  20.35 +/- 0.84   0.000% *  0.1110% (0.42   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 102  18.29 +/- 1.73   0.000% *  0.0368% (0.14   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  33  17.83 +/- 0.65   0.000% *  0.0294% (0.11   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  65  23.80 +/- 0.49   0.000% *  0.1100% (0.42   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  65  20.39 +/- 0.73   0.000% *  0.0171% (0.06   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 102  26.23 +/- 1.11   0.000% *  0.0478% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  33  27.32 +/- 0.70   0.000% *  0.0259% (0.10   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 102  22.34 +/- 0.81   0.000% *  0.0074% (0.03   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 102  24.05 +/- 0.81   0.000% *  0.0084% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1762 (1.37, 1.37, 25.37 ppm):
    4 diagonal assignments:
    *     HG3   LYS+ 106 - HG3   LYS+ 106  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.51)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.36)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.17)  kept
 
    Peak 1770 (1.82, 1.82, 28.60 ppm):
    1 diagonal assignment:
    *     HG12  ILE  103 - HG12  ILE  103  (0.64)  kept
 
    Peak 1771 (1.82, 1.16, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 4.3, residual support = 138.2:
    * O T HG12  ILE  103 - HG13  ILE  103   1.75 +/- 0.00  99.951% * 96.7470% (0.80   4.30 138.21) = 100.000%  kept
          QB    LYS+ 102 - HG13  ILE  103   6.64 +/- 0.35   0.036% *  0.4076% (0.73   0.02  22.42) =   0.000%
          HB    VAL   41 - HG13  ILE  103   8.73 +/- 1.60   0.012% *  0.5182% (0.92   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG13  ILE  103  13.16 +/- 0.56   0.001% *  0.3178% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE  103  15.88 +/- 0.49   0.000% *  0.5601% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE  103  16.53 +/- 0.47   0.000% *  0.5182% (0.92   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE  103  18.17 +/- 0.58   0.000% *  0.2953% (0.53   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE  103  18.73 +/- 0.33   0.000% *  0.3405% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE  103  20.19 +/- 1.09   0.000% *  0.2953% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.57 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 = 5.52, residual support = 175.6:
    * O   HB2   LYS+  74 - HB3   LYS+  74   1.75 +/- 0.00  99.983% * 98.1278% (0.80   5.52 175.61) = 100.000%  kept
          QG2   THR   26 - HB3   LYS+  74   7.65 +/- 0.27   0.015% *  0.2334% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LYS+  74  12.52 +/- 0.70   0.001% *  0.1989% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB3   LYS+  74  16.33 +/- 0.63   0.000% *  0.3979% (0.90   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   LYS+  74  16.72 +/- 1.00   0.000% *  0.3047% (0.69   0.02   0.02) =   0.000%
          HG    LEU   67 - HB3   LYS+  74  15.01 +/- 1.18   0.000% *  0.1106% (0.25   0.02   0.02) =   0.000%
          HG    LEU   40 - HB3   LYS+  74  14.45 +/- 1.21   0.000% *  0.0777% (0.18   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   LYS+  74  19.17 +/- 0.43   0.000% *  0.3047% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB3   LYS+  74  15.43 +/- 0.85   0.000% *  0.0777% (0.18   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   LYS+  74  21.49 +/- 0.76   0.000% *  0.1665% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.41 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 = 5.1, residual support = 211.0:
    * O T HG12  ILE   89 - HG13  ILE   89   1.75 +/- 0.00  99.999% * 98.7336% (1.00   5.10 211.03) = 100.000%  kept
          HG2   LYS+  74 - HG13  ILE   89  13.01 +/- 0.69   0.001% *  0.1736% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG13  ILE   89  18.65 +/- 0.70   0.000% *  0.3838% (0.99   0.02   0.02) =   0.000%
          HG    LEU   71 - HG13  ILE   89  21.15 +/- 1.56   0.000% *  0.1885% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG13  ILE   89  21.11 +/- 1.19   0.000% *  0.1453% (0.38   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG13  ILE   89  19.97 +/- 0.70   0.000% *  0.0965% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG13  ILE   89  23.87 +/- 0.89   0.000% *  0.1592% (0.41   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG13  ILE   89  24.01 +/- 0.60   0.000% *  0.1195% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 23.2:
    * O T HA    ALA   57 - QB    ALA   57   2.14 +/- 0.01  99.937% * 97.3811% (1.00   2.81  23.20) = 100.000%  kept
          HA1   GLY   51 - QB    ALA   57   8.26 +/- 0.26   0.031% *  0.6014% (0.87   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   57   8.50 +/- 0.25   0.026% *  0.1214% (0.18   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   57  14.10 +/- 0.48   0.001% *  0.4763% (0.69   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   57  11.79 +/- 0.51   0.004% *  0.1544% (0.22   0.02   0.02) =   0.000%
          HA    SER  117 - QB    ALA   57  14.59 +/- 0.26   0.001% *  0.2602% (0.38   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA   57  19.63 +/- 0.20   0.000% *  0.5299% (0.76   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA   57  17.70 +/- 0.34   0.000% *  0.2140% (0.31   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   57  19.19 +/- 0.35   0.000% *  0.1544% (0.22   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   57  23.50 +/- 2.63   0.000% *  0.1070% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 9.36:
    * O T HA1   GLY   51 - HA2   GLY   51   1.75 +/- 0.00  99.996% * 96.3542% (1.00   2.81   9.36) = 100.000%  kept
          HA    ALA   57 - HA2   GLY   51  10.35 +/- 0.28   0.002% *  0.5951% (0.87   0.02   0.02) =   0.000%
          HB    THR   77 - HA2   GLY   51  12.62 +/- 0.42   0.001% *  0.3339% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA2   GLY   51  16.37 +/- 0.46   0.000% *  0.6490% (0.95   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA2   GLY   51  15.07 +/- 0.28   0.000% *  0.2820% (0.41   0.02   0.02) =   0.000%
        T HA    SER   85 - HA2   GLY   51  20.90 +/- 0.28   0.000% *  0.3339% (0.49   0.02   0.02) =   0.000%
        T HA    ILE  103 - HA2   GLY   51  26.49 +/- 0.44   0.000% *  0.4161% (0.61   0.02   0.02) =   0.000%
        T HA    SER  117 - HA2   GLY   51  22.73 +/- 0.54   0.000% *  0.1059% (0.15   0.02   0.02) =   0.000%
        T HA    THR   39 - HA2   GLY   51  30.98 +/- 0.29   0.000% *  0.6725% (0.98   0.02   0.02) =   0.000%
          HA    MET   11 - HA2   GLY   51  35.65 +/- 3.38   0.000% *  0.2575% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 2.76, residual support = 66.5:
    * O   QG2   VAL   24 - QG1   VAL   24   2.09 +/- 0.03  99.999% * 98.6963% (1.00   2.76  66.49) = 100.000%  kept
        T QG1   VAL  107 - QG1   VAL   24  15.57 +/- 1.02   0.001% *  0.1785% (0.25   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   24  19.69 +/- 0.98   0.000% *  0.6909% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   24  23.06 +/- 1.20   0.000% *  0.4342% (0.61   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2010 (4.81, 4.81, 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 = 6.34, residual support = 160.1:
    * O T HG2   GLN   30 - HG3   GLN   30   1.75 +/- 0.00  99.986% * 99.1323% (1.00   6.34 160.10) = 100.000%  kept
          HB3   ASN   28 - HG3   GLN   30   8.38 +/- 0.75   0.011% *  0.2887% (0.92   0.02   6.56) =   0.000%
          QE    LYS+ 121 - HB2   LYS+ 111  10.84 +/- 1.75   0.003% *  0.0432% (0.14   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HG3   GLN   30  22.38 +/- 0.95   0.000% *  0.2148% (0.69   0.02   0.02) =   0.000%
          HB3   HIS  122 - HG3   GLN   30  20.09 +/- 0.96   0.000% *  0.1067% (0.34   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   LYS+ 111  15.43 +/- 0.66   0.000% *  0.0214% (0.07   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   PRO   93  16.59 +/- 1.44   0.000% *  0.0167% (0.05   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   PRO   93  20.07 +/- 0.98   0.000% *  0.0244% (0.08   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   PRO   93  17.88 +/- 0.43   0.000% *  0.0083% (0.03   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   LYS+ 111  26.97 +/- 0.68   0.000% *  0.0629% (0.20   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   PRO   93  22.95 +/- 0.81   0.000% *  0.0225% (0.07   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 111  29.38 +/- 0.77   0.000% *  0.0580% (0.19   0.02   0.02) =   0.000%
    Distance limit 2.63 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 = 4.66, residual support = 156.0:
    * O   QE    LYS+  33 - HG2   LYS+  33   2.88 +/- 0.31  97.842% * 96.1684% (1.00   4.66 155.97) =  99.997%  kept
          HB2   ASP-  78 - QG    LYS+  81   6.33 +/- 0.55   1.140% *  0.1279% (0.31   0.02   0.02) =   0.002%
          HB2   ASN   35 - HG2   LYS+  33   7.62 +/- 0.46   0.336% *  0.1409% (0.34   0.02   0.50) =   0.001%
          HB2   ASN   28 - HG2   LYS+  33  10.10 +/- 0.68   0.071% *  0.4048% (0.98   0.02   0.02) =   0.000%
          HB2   ASP-  76 - QG    LYS+  81   7.27 +/- 0.24   0.441% *  0.0440% (0.11   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QG    LYS+  81   9.23 +/- 0.47   0.115% *  0.1358% (0.33   0.02   0.02) =   0.000%
          HB2   ASN   28 - QG    LYS+  81  12.99 +/- 0.63   0.014% *  0.1938% (0.47   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+  33  12.71 +/- 1.63   0.018% *  0.0637% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+  33  17.59 +/- 1.94   0.003% *  0.3704% (0.90   0.02   0.02) =   0.000%
          QE    LYS+  33 - HG2   LYS+ 106  18.56 +/- 1.22   0.002% *  0.2505% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+ 106  17.34 +/- 0.84   0.002% *  0.1720% (0.42   0.02   0.02) =   0.000%
          QE    LYS+  33 - QG    LYS+  81  18.15 +/- 1.25   0.002% *  0.1977% (0.48   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  16.32 +/- 1.00   0.003% *  0.0854% (0.21   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+ 106  19.92 +/- 1.15   0.001% *  0.2455% (0.59   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+ 106  19.89 +/- 0.84   0.001% *  0.2246% (0.54   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+  33  17.50 +/- 0.62   0.002% *  0.0919% (0.22   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  33  21.34 +/- 0.75   0.001% *  0.2837% (0.69   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  33  22.12 +/- 0.60   0.001% *  0.2672% (0.65   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+ 106  21.30 +/- 1.21   0.001% *  0.1620% (0.39   0.02   0.02) =   0.000%
          QE    LYS+  65 - QG    LYS+  81  22.61 +/- 0.94   0.001% *  0.1773% (0.43   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+ 106  18.66 +/- 1.15   0.002% *  0.0558% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  20.26 +/- 0.46   0.001% *  0.0674% (0.16   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+ 106  19.64 +/- 0.72   0.001% *  0.0386% (0.09   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  81  27.64 +/- 0.61   0.000% *  0.0305% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2142 (1.55, 1.55, 25.23 ppm):
    3 diagonal assignments:
    *     HG2   LYS+  33 - HG2   LYS+  33  (1.00)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.46)  kept
          QG    LYS+  81 - QG    LYS+  81  (0.40)  kept
 
    Peak 2144 (1.55, 1.86, 32.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.67, residual support = 156.0:
    * O T HG2   LYS+  33 - QB    LYS+  33   2.22 +/- 0.02  99.996% * 98.8284% (1.00   5.67 155.97) = 100.000%  kept
          HG    LEU  104 - QB    LYS+  33  13.39 +/- 0.62   0.002% *  0.1308% (0.38   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  33  15.60 +/- 0.35   0.001% *  0.1833% (0.53   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - QB    LYS+  33  17.01 +/- 0.84   0.001% *  0.2662% (0.76   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QB    LYS+  33  17.55 +/- 0.57   0.000% *  0.2910% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  33  19.36 +/- 0.87   0.000% *  0.1308% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  33  24.18 +/- 0.34   0.000% *  0.1696% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2145 (3.02, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.58, residual support = 214.9:
    *     QE    LYS+  38 - HA    LYS+  38   4.53 +/- 0.16  53.768% * 98.9472% (1.00   4.58 215.13) =  99.914%  kept
          QE    LYS+  99 - HA    LYS+  38   6.28 +/- 0.69   9.015% *  0.3875% (0.90   0.02   0.02) =   0.066%
          QE    LYS+  38 - HA    GLU- 100   5.51 +/- 1.60  26.213% *  0.0261% (0.06   0.02   0.02) =   0.013%
          QE    LYS+  99 - HA    GLU- 100   6.15 +/- 0.35   8.800% *  0.0234% (0.05   0.02  40.14) =   0.004%
          QE    LYS+ 102 - HA    LYS+  38  10.98 +/- 1.39   0.310% *  0.3989% (0.92   0.02   0.02) =   0.002%
          QE    LYS+ 102 - HA    GLU- 100   8.16 +/- 0.38   1.628% *  0.0241% (0.06   0.02   0.02) =   0.001%
          HB2   PHE   97 - HA    LYS+  38  13.35 +/- 0.62   0.083% *  0.0855% (0.20   0.02   0.02) =   0.000%
        T HB3   TRP   27 - HA    LYS+  38  16.48 +/- 0.22   0.023% *  0.0962% (0.22   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    GLU- 100  12.14 +/- 0.22   0.146% *  0.0052% (0.01   0.02   0.02) =   0.000%
        T HB3   TRP   27 - HA    GLU- 100  18.00 +/- 0.61   0.014% *  0.0058% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2154 (3.02, 3.02, 42.83 ppm):
    3 diagonal assignments:
    *     QE    LYS+  38 - QE    LYS+  38  (1.00)  kept
          QE    LYS+  99 - QE    LYS+  99  (0.24)  kept
          QE    LYS+ 102 - QE    LYS+ 102  (0.21)  kept
 
    Peak 2160 (1.33, 1.33, 26.01 ppm):
    2 diagonal assignments:
    *     HG2   LYS+  99 - HG2   LYS+  99  (1.00)  kept
          HG2   LYS+  38 - HG2   LYS+  38  (0.27)  kept
 
    Peak 2162 (1.70, 1.70, 30.22 ppm):
    2 diagonal assignments:
    *     QD    LYS+  99 - QD    LYS+  99  (1.00)  kept
          QD    LYS+ 106 - QD    LYS+ 106  (0.80)  kept
 
    Peak 2172 (1.38, 1.38, 25.13 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  65 - HG3   LYS+  65  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.86)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.80)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.36)  kept
 
    Peak 2173 (2.93, 1.38, 25.13 ppm):
    24 chemical-shift based assignments, quality = 0.864, support = 4.53, residual support = 157.7:
      O T QE    LYS+  33 - HG3   LYS+  33   2.53 +/- 0.54  64.096% * 44.3377% (0.77   4.68 155.97) =  60.302%  kept
    * O T QE    LYS+  65 - HG3   LYS+  65   2.90 +/- 0.60  35.645% * 52.4845% (1.00   4.29 160.36) =  39.697%  kept
          HB2   ASN   35 - HG3   LYS+  33   6.75 +/- 0.30   0.207% *  0.1281% (0.52   0.02   0.50) =   0.001%
          HB2   ASN   28 - HG3   LYS+  33   9.89 +/- 1.71   0.028% *  0.2039% (0.83   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  12.49 +/- 1.64   0.014% *  0.1208% (0.49   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  17.10 +/- 2.39   0.002% *  0.2194% (0.90   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  17.00 +/- 1.12   0.001% *  0.1786% (0.73   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  18.49 +/- 1.94   0.001% *  0.2113% (0.86   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  16.00 +/- 0.93   0.002% *  0.0623% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  17.29 +/- 1.05   0.001% *  0.0948% (0.39   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  18.19 +/- 1.15   0.001% *  0.0921% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  20.33 +/- 1.57   0.000% *  0.1922% (0.79   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  19.61 +/- 1.22   0.000% *  0.0991% (0.41   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  19.57 +/- 0.72   0.000% *  0.1027% (0.42   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  21.36 +/- 1.13   0.000% *  0.1950% (0.80   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  22.41 +/- 1.20   0.000% *  0.1838% (0.75   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  24.09 +/- 0.59   0.000% *  0.2361% (0.97   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  22.40 +/- 0.76   0.000% *  0.1484% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  22.07 +/- 0.67   0.000% *  0.0918% (0.38   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  24.94 +/- 0.90   0.000% *  0.1991% (0.81   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  22.88 +/- 0.96   0.000% *  0.0793% (0.32   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  21.10 +/- 0.97   0.000% *  0.0385% (0.16   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  28.64 +/- 0.56   0.000% *  0.2259% (0.92   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  29.58 +/- 0.82   0.000% *  0.0747% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 4.67, residual support = 88.3:
    * O T HB2   GLU-  29 - HG3   GLU-  29   2.50 +/- 0.04  99.992% * 97.9441% (1.00   4.67  88.32) = 100.000%  kept
          QG    GLU-  14 - HG3   GLU-  29  15.45 +/- 1.63   0.002% *  0.1295% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   GLU-  29  16.43 +/- 0.43   0.001% *  0.1575% (0.38   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   GLU-  29  17.05 +/- 0.65   0.001% *  0.1881% (0.45   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG3   GLU-  29  15.49 +/- 1.60   0.002% *  0.0830% (0.20   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   GLU-  29  18.50 +/- 0.39   0.001% *  0.1167% (0.28   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  29  20.40 +/- 0.66   0.000% *  0.1575% (0.38   0.02   0.02) =   0.000%
          HG3   MET   92 - HG3   GLU-  29  24.77 +/- 2.60   0.000% *  0.4113% (0.98   0.02   0.02) =   0.000%
        T QG    GLN   90 - HG3   GLU-  29  21.50 +/- 0.91   0.000% *  0.1881% (0.45   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG3   GLU-  29  25.48 +/- 0.54   0.000% *  0.2882% (0.69   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   GLU-  29  28.78 +/- 0.94   0.000% *  0.3360% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2179 (2.43, 2.16, 36.74 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.5, residual support = 88.3:
    * O T HG2   GLU-  29 - HG3   GLU-  29   1.75 +/- 0.00 100.000% * 98.5380% (1.00   4.50  88.32) = 100.000%  kept
          HB3   ASP-  86 - HG3   GLU-  29  17.09 +/- 1.15   0.000% *  0.4228% (0.97   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   GLU-  29  19.30 +/- 0.57   0.000% *  0.2834% (0.65   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  29  18.32 +/- 0.90   0.000% *  0.0975% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  29  27.05 +/- 0.56   0.000% *  0.2657% (0.61   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HG3   GLU-  29  27.49 +/- 0.68   0.000% *  0.2834% (0.65   0.02   0.02) =   0.000%
          HB    VAL  107 - HG3   GLU-  29  24.81 +/- 0.97   0.000% *  0.1092% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.66 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 = 84.0:
    * O T QG    GLN   17 - HB3   GLN   17   2.46 +/- 0.03  99.982% * 97.6147% (0.76   4.31  84.03) = 100.000%  kept
        T HB    VAL   70 - HB3   GLN   17  10.80 +/- 0.56   0.015% *  0.4947% (0.84   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLN   17  16.90 +/- 0.52   0.001% *  0.5870% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLN   17  16.55 +/- 0.98   0.001% *  0.3353% (0.57   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLN   17  19.77 +/- 0.94   0.000% *  0.3831% (0.65   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLN   17  21.99 +/- 0.97   0.000% *  0.3831% (0.65   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLN   17  21.01 +/- 0.60   0.000% *  0.2020% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 84.0:
    * O T HA    GLN   17 - HB3   GLN   17   2.75 +/- 0.33  94.539% * 97.7367% (1.00   4.00  84.03) =  99.984%  kept
          HA    GLU-  15 - HB3   GLN   17   4.96 +/- 0.56   5.393% *  0.2767% (0.57   0.02   0.64) =   0.016%
          HA    SER   13 - HB3   GLN   17  10.67 +/- 0.88   0.043% *  0.2767% (0.57   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   GLN   17  12.56 +/- 1.10   0.012% *  0.2571% (0.53   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   17  14.06 +/- 0.51   0.007% *  0.2964% (0.61   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   GLN   17  17.31 +/- 0.69   0.002% *  0.4844% (0.99   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   GLN   17  18.59 +/- 1.18   0.001% *  0.4887% (1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   GLN   17  16.43 +/- 0.74   0.003% *  0.1834% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 84.0:
    * O T HB2   GLN   17 - HB3   GLN   17   1.75 +/- 0.00  99.919% * 96.8891% (1.00   4.00  84.03) = 100.000%  kept
        T QB    GLU-  15 - HB3   GLN   17   6.27 +/- 0.36   0.051% *  0.4844% (1.00   0.02   0.64) =   0.000%
          HB    ILE   19 - HB3   GLN   17   7.75 +/- 0.87   0.017% *  0.2743% (0.57   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB3   GLN   17   9.36 +/- 2.05   0.007% *  0.3879% (0.80   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   GLN   17  11.06 +/- 1.47   0.002% *  0.2358% (0.49   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HB3   GLN   17  11.91 +/- 1.42   0.001% *  0.1992% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   GLN   17  12.08 +/- 1.14   0.001% *  0.0848% (0.18   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   GLN   17  20.05 +/- 0.92   0.000% *  0.4583% (0.95   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   GLN   17  21.82 +/- 0.78   0.000% *  0.3134% (0.65   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   17  24.29 +/- 0.93   0.000% *  0.4802% (0.99   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   17  18.91 +/- 0.83   0.000% *  0.0848% (0.18   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   17  23.73 +/- 0.88   0.000% *  0.1079% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.46 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 = 0.861, support = 3.19, residual support = 46.9:
    * O T HB3   GLU-  14 - HA    GLU-  14   2.85 +/- 0.17  63.844% * 65.4443% (1.00   2.96  47.34) =  77.909%  kept
      O T HG3   MET   11 - HA    MET   11   3.24 +/- 0.64  36.051% * 32.8623% (0.37   4.00  45.58) =  22.091%  kept
        T HG3   MET   11 - HA    GLU-  14  10.17 +/- 1.18   0.066% *  0.4187% (0.95   0.02   0.02) =   0.001%
        T HB3   GLU-  14 - HA    MET   11  10.72 +/- 1.32   0.036% *  0.1737% (0.39   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  18.10 +/- 1.39   0.001% *  0.2154% (0.49   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  23.08 +/- 0.91   0.000% *  0.3839% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  21.31 +/- 1.06   0.000% *  0.1231% (0.28   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  23.02 +/- 3.08   0.000% *  0.0845% (0.19   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  29.99 +/- 2.28   0.000% *  0.1507% (0.34   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  28.91 +/- 3.18   0.000% *  0.0483% (0.11   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  28.44 +/- 1.28   0.000% *  0.0683% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  36.09 +/- 2.77   0.000% *  0.0268% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 63.6:
    * O T HB2   MET   92 - HA    MET   92   3.03 +/- 0.05  99.167% * 97.6040% (1.00   3.87  63.65) =  99.999%  kept
          HB    ILE   56 - HA    MET   92   8.43 +/- 0.47   0.223% *  0.3468% (0.69   0.02   0.02) =   0.001%
          HB3   GLN   90 - HA    MET   92   7.34 +/- 0.57   0.559% *  0.0999% (0.20   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    MET   92  11.35 +/- 0.47   0.038% *  0.1404% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   92  16.47 +/- 0.36   0.004% *  0.4776% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    MET   92  14.63 +/- 0.35   0.008% *  0.1259% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   92  20.19 +/- 0.69   0.001% *  0.4873% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    MET   92  28.07 +/- 0.93   0.000% *  0.4218% (0.84   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    MET   92  22.43 +/- 0.50   0.001% *  0.0779% (0.15   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   92  27.88 +/- 1.53   0.000% *  0.0779% (0.15   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   92  36.78 +/- 2.81   0.000% *  0.1404% (0.28   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2220 (1.69, 4.91, 52.55 ppm):
    10 chemical-shift based assignments, quality = 0.989, support = 4.19, residual support = 60.9:
    * O T HB3   MET   92 - HA    MET   92   2.68 +/- 0.12  94.845% * 52.1674% (1.00   4.16  63.65) =  95.521%  kept
          HG3   PRO   93 - HA    MET   92   4.39 +/- 0.05   4.990% * 46.4863% (0.76   4.85   1.41) =   4.478%  kept
          QG1   ILE   56 - HA    MET   92   8.10 +/- 0.24   0.133% *  0.0496% (0.20   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    MET   92  12.37 +/- 0.91   0.013% *  0.2458% (0.98   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    MET   92  11.65 +/- 0.81   0.015% *  0.2095% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    MET   92  15.20 +/- 0.46   0.003% *  0.2420% (0.97   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    MET   92  21.83 +/- 0.51   0.000% *  0.2008% (0.80   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    MET   92  21.45 +/- 1.28   0.000% *  0.1420% (0.57   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    MET   92  24.40 +/- 0.36   0.000% *  0.2008% (0.80   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    MET   92  26.59 +/- 1.05   0.000% *  0.0558% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 63.6:
    * O T HG2   MET   92 - HA    MET   92   2.37 +/- 0.19  99.666% * 96.5627% (1.00   2.49  63.65) =  99.998%  kept
          HG2   PRO   52 - HA    MET   92   7.11 +/- 1.30   0.318% *  0.5023% (0.65   0.02   0.02) =   0.002%
          QG    GLU- 114 - HA    MET   92  10.85 +/- 0.36   0.012% *  0.7696% (0.99   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    MET   92  13.16 +/- 0.40   0.004% *  0.7494% (0.97   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    MET   92  25.31 +/- 0.79   0.000% *  0.3481% (0.45   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    MET   92  30.12 +/- 0.54   0.000% *  0.7765% (1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    MET   92  32.93 +/- 2.17   0.000% *  0.2914% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2224 (2.24, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 63.6:
    * O T HG3   MET   92 - HA    MET   92   3.24 +/- 0.46  98.922% * 97.6880% (1.00   3.97  63.65) =  99.998%  kept
          QG    GLN   90 - HA    MET   92   7.69 +/- 0.60   0.900% *  0.1679% (0.34   0.02   0.02) =   0.002%
          HB3   ASP-  76 - HA    MET   92  11.29 +/- 0.33   0.069% *  0.2787% (0.57   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   92  11.05 +/- 0.39   0.087% *  0.0974% (0.20   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    MET   92  16.59 +/- 0.35   0.007% *  0.3942% (0.80   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   92  16.96 +/- 0.39   0.006% *  0.3382% (0.69   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   92  17.75 +/- 0.90   0.005% *  0.1369% (0.28   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   92  23.67 +/- 0.81   0.001% *  0.4826% (0.98   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   92  27.37 +/- 0.52   0.000% *  0.2397% (0.49   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    MET   92  23.86 +/- 1.25   0.001% *  0.0666% (0.14   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    MET   92  25.29 +/- 1.52   0.001% *  0.1096% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2226 (4.14, 4.14, 45.70 ppm):
    1 diagonal assignment:
    *     HA1   GLY  101 - HA1   GLY  101  (1.00)  kept
 
    Peak 2228 (2.04, 1.87, 37.27 ppm):
    11 chemical-shift based assignments, quality = 0.856, support = 0.0185, residual support = 0.0185:
          HB    VAL  108 - QB    LYS+ 106   6.29 +/- 0.45  85.624% * 12.6890% (0.92   0.02   0.02) =  92.702%  kept
          HB2   LYS+ 111 - QB    LYS+ 106   9.42 +/- 0.52   8.592% *  3.0603% (0.22   0.02   0.02) =   2.244%
          HB    ILE  119 - QB    LYS+ 106  12.29 +/- 0.26   1.631% * 13.7458% (1.00   0.02   0.02) =   1.913%
          HB2   PRO   93 - QB    LYS+ 106  11.23 +/- 0.26   2.766% *  7.7823% (0.57   0.02   0.02) =   1.837%
          HB3   GLU- 100 - QB    LYS+ 106  15.11 +/- 0.33   0.462% * 13.6242% (0.99   0.02   0.02) =   0.537%
        T HB2   GLN   30 - QB    LYS+ 106  16.39 +/- 0.57   0.297% * 13.7458% (1.00   0.02   0.02) =   0.349%
          HG3   GLN   30 - QB    LYS+ 106  18.10 +/- 0.65   0.163% * 11.9235% (0.87   0.02   0.02) =   0.166%
          HB2   ARG+  54 - QB    LYS+ 106  18.32 +/- 0.54   0.151% * 11.9235% (0.87   0.02   0.02) =   0.154%
          HB3   PRO   68 - QB    LYS+ 106  19.79 +/- 0.41   0.093% *  6.6908% (0.49   0.02   0.02) =   0.053%
          HB2   GLN   17 - QB    LYS+ 106  19.19 +/- 0.60   0.111% *  2.4073% (0.18   0.02   0.02) =   0.023%
          QB    GLU-  15 - QB    LYS+ 106  19.47 +/- 0.92   0.108% *  2.4073% (0.18   0.02   0.02) =   0.022%
    Distance limit 3.48 A violated in 20 structures by 2.81 A, eliminated.
    Peak unassigned.
 
    Peak 2229 (9.12, 3.71, 61.73 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 4.64, residual support = 26.9:
      O   HN    ASP-  76 - HA    VAL   75   2.20 +/- 0.02  99.773% * 99.5163% (0.76   4.64  26.93) =  99.999%  kept
          HN    HIS   22 - HA    VAL   75   6.16 +/- 0.36   0.227% *  0.2731% (0.49   0.02   0.02) =   0.001%
          HN    VAL  108 - HA    VAL   75  17.06 +/- 0.43   0.000% *  0.2106% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2230 (8.53, 3.71, 61.73 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 5.14, residual support = 83.3:
      O   HN    VAL   75 - HA    VAL   75   2.92 +/- 0.01  99.428% * 99.5913% (0.90   5.14  83.28) =  99.998%  kept
          HN    ASP-  78 - HA    VAL   75   6.90 +/- 0.05   0.572% *  0.4087% (0.95   0.02   0.02) =   0.002%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2231 (4.88, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 0.75, residual support = 17.1:
          HA    PHE   45 - HB    VAL   75   2.93 +/- 0.51  99.960% * 89.9031% (0.45   0.75  17.14) =  99.998%  kept
          HA    VAL   41 - HB    VAL   75  11.35 +/- 0.52   0.038% *  5.1606% (0.97   0.02   0.02) =   0.002%
          HA    HIS  122 - HB    VAL   75  19.61 +/- 0.73   0.001% *  4.9363% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 1 structures by 0.04 A, kept.
 
    Peak 2232 (6.85, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.0, residual support = 17.1:
          QD    PHE   45 - HB    VAL   75   3.58 +/- 0.16  99.988% * 98.4856% (0.87   2.00  17.14) = 100.000%  kept
          HD2   HIS  122 - HB    VAL   75  16.60 +/- 0.81   0.010% *  0.7799% (0.69   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB    VAL   75  22.04 +/- 1.25   0.002% *  0.7345% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2233 (6.72, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.23, support = 0.02, residual support = 1.96:
          HZ2   TRP   27 - HB    VAL   75   6.65 +/- 0.54  98.613% * 19.8169% (0.20   0.02   2.07) =  94.615%  kept
        T HZ    PHE   72 - HB    VAL   75  13.85 +/- 0.82   1.387% * 80.1831% (0.80   0.02   0.02) =   5.385%  kept
    Distance limit 4.14 A violated in 20 structures by 2.50 A, eliminated.
    Peak unassigned.
 
    Peak 2234 (8.54, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.37, residual support = 83.3:
      O   HN    VAL   75 - HB    VAL   75   2.42 +/- 0.49  99.677% * 99.7023% (0.99   4.37  83.28) =  99.999%  kept
          HN    ASP-  78 - HB    VAL   75   7.79 +/- 0.37   0.323% *  0.2977% (0.65   0.02   0.02) =   0.001%
    Distance limit 3.29 A violated in 2 structures by 0.04 A, kept.
 
    Peak 2235 (6.71, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.31, residual support = 17.1:
        T QE    PHE   45 - QG1   VAL   75   2.52 +/- 0.32  99.940% * 96.5153% (0.34   2.31  17.14) =  99.999%  kept
          QD    PHE   72 - QG1   VAL   75   9.70 +/- 0.54   0.052% *  1.2884% (0.53   0.02   0.02) =   0.001%
          HZ    PHE   72 - QG1   VAL   75  13.11 +/- 0.70   0.008% *  2.1962% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2236 (6.86, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.96, residual support = 17.1:
          QD    PHE   45 - QG1   VAL   75   2.25 +/- 0.28  99.998% * 99.5615% (1.00   2.96  17.14) = 100.000%  kept
          HD2   HIS  122 - QG1   VAL   75  15.16 +/- 0.71   0.001% *  0.2302% (0.34   0.02   0.02) =   0.000%
          HE22  GLN  116 - QG1   VAL   75  19.42 +/- 0.79   0.000% *  0.2083% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2237 (8.53, 0.44, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.899, support = 5.03, residual support = 80.3:
          HN    VAL   75 - QG1   VAL   75   3.32 +/- 0.52  92.239% * 69.5099% (0.90   5.14  83.28) =  96.441%  kept
          HN    ASP-  78 - QG1   VAL   75   5.31 +/- 0.35   7.761% * 30.4901% (0.95   2.14   0.02) =   3.559%  kept
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2238 (9.12, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 4.97, residual support = 26.9:
          HN    ASP-  76 - QG1   VAL   75   3.08 +/- 0.38  99.380% * 99.1034% (0.41   4.97  26.93) =  99.999%  kept
          HN    HIS   22 - QG1   VAL   75   7.36 +/- 0.58   0.582% *  0.1920% (0.20   0.02   0.02) =   0.001%
          HN    VAL  108 - QG1   VAL   75  12.49 +/- 0.74   0.037% *  0.7046% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 2 structures by 0.05 A, kept.
 
    Peak 2239 (3.09, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 0.75, residual support = 2.5:
          HB2   CYS   21 - QG2   VAL   75   3.02 +/- 0.37  99.874% * 98.7151% (0.76   0.75   2.50) =  99.999%  kept
          QE    LYS+  81 - QG2   VAL   75   9.68 +/- 0.64   0.120% *  0.6032% (0.18   0.02   0.02) =   0.001%
          QE    LYS+ 111 - QG2   VAL   75  15.67 +/- 0.61   0.007% *  0.6817% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2240 (6.37, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.523, support = 0.75, residual support = 5.61:
          HZ3   TRP   27 - QG2   VAL   75   2.63 +/- 0.42  84.734% * 36.9740% (0.45   0.75   2.07) =  76.504%  kept
          HZ    PHE   45 - QG2   VAL   75   3.78 +/- 0.35  15.266% * 63.0260% (0.76   0.75  17.14) =  23.496%  kept
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2241 (6.69, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 1.68, residual support = 17.1:
          QE    PHE   45 - QG2   VAL   75   3.49 +/- 0.20  99.342% * 98.4832% (0.97   1.68  17.14) =  99.993%  kept
          QD    PHE   72 - QG2   VAL   75   8.36 +/- 0.36   0.585% *  1.2135% (1.00   0.02   0.02) =   0.007%
          HZ    PHE   72 - QG2   VAL   75  11.78 +/- 0.41   0.073% *  0.3033% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2242 (7.33, 0.13, 21.81 ppm):
    7 chemical-shift based assignments, quality = 0.8, support = 0.749, residual support = 2.06:
          HE3   TRP   27 - QG2   VAL   75   3.03 +/- 0.26  95.279% * 88.3327% (0.80   0.75   2.07) =  99.911%  kept
          HN    THR   23 - QG2   VAL   75   5.91 +/- 0.43   1.833% *  2.8390% (0.97   0.02   0.02) =   0.062%
          HD2   HIS   22 - QG2   VAL   75   5.76 +/- 0.80   2.605% *  0.5822% (0.20   0.02   0.02) =   0.018%
          QE    PHE   95 - QG2   VAL   75   8.80 +/- 0.59   0.237% *  2.8835% (0.98   0.02   0.02) =   0.008%
          QD    PHE   55 - QG2   VAL   75  14.42 +/- 0.70   0.010% *  2.5517% (0.87   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   VAL   75  12.36 +/- 0.74   0.026% *  0.9080% (0.31   0.02   0.02) =   0.000%
          HN    LEU   67 - QG2   VAL   75  14.36 +/- 0.47   0.010% *  1.9030% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2243 (8.53, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.95, residual support = 83.3:
          HN    VAL   75 - QG2   VAL   75   2.94 +/- 0.31  99.541% * 99.5758% (0.90   4.95  83.28) =  99.998%  kept
          HN    ASP-  78 - QG2   VAL   75   7.37 +/- 0.10   0.459% *  0.4242% (0.95   0.02   0.02) =   0.002%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2244 (9.15, 0.13, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.599, support = 0.0198, residual support = 0.0198:
          HN    VAL   43 - QG2   VAL   75   6.29 +/- 0.40  98.896% * 48.3894% (0.61   0.02   0.02) =  98.823%  kept
          HN    VAL  108 - QG2   VAL   75  13.38 +/- 0.61   1.104% * 51.6106% (0.65   0.02   0.02) =   1.177%
    Distance limit 4.04 A violated in 20 structures by 2.26 A, eliminated.
    Peak unassigned.
 
    Peak 2245 (9.13, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.152, support = 3.74, residual support = 36.1:
      O   HN    ASP-  76 - HB3   ASP-  76   3.25 +/- 0.15  99.998% * 97.1361% (0.15   3.74  36.07) = 100.000%  kept
          HN    VAL  108 - HB3   ASP-  76  19.22 +/- 0.41   0.002% *  2.8639% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2246 (9.12, 2.90, 42.19 ppm):
    9 chemical-shift based assignments, quality = 0.411, support = 3.7, residual support = 36.1:
      O   HN    ASP-  76 - HB2   ASP-  76   2.21 +/- 0.27  99.818% * 98.1906% (0.41   3.70  36.07) = 100.000%  kept
          HN    HIS   22 - HB2   ASP-  76   6.51 +/- 0.53   0.175% *  0.2556% (0.20   0.02   0.02) =   0.000%
          HN    VAL  108 - HB2   ASP-  76  19.37 +/- 0.41   0.000% *  0.9380% (0.73   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  66  17.14 +/- 1.00   0.001% *  0.1950% (0.15   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  33  12.54 +/- 1.12   0.004% *  0.0381% (0.03   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  33  15.84 +/- 1.09   0.001% *  0.0792% (0.06   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  66  21.21 +/- 0.60   0.000% *  0.1104% (0.09   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  33  23.54 +/- 1.04   0.000% *  0.1399% (0.11   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  66  22.84 +/- 0.64   0.000% *  0.0531% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2247 (8.10, 3.58, 65.17 ppm):
    4 chemical-shift based assignments, quality = 0.379, support = 0.0196, residual support = 0.0196:
          HN    LEU   80 - HA    THR   77   6.64 +/- 0.27  95.656% * 19.6829% (0.38   0.02   0.02) =  93.186%  kept
          HN    CYS   53 - HA    THR   77  11.91 +/- 0.60   3.097% * 31.8091% (0.61   0.02   0.02) =   4.876%  kept
          HN    THR   26 - HA    THR   77  14.02 +/- 0.38   1.084% * 33.9265% (0.65   0.02   0.02) =   1.820%
          HN    ALA   34 - HA    THR   77  19.28 +/- 0.35   0.163% * 14.5815% (0.28   0.02   0.02) =   0.117%
    Distance limit 3.65 A violated in 20 structures by 2.95 A, eliminated.
    Peak unassigned.
 
    Peak 2248 (8.54, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 4.62, residual support = 28.0:
      O   HN    ASP-  78 - HA    THR   77   3.48 +/- 0.01  98.868% * 99.3411% (0.65   4.62  28.02) =  99.992%  kept
          HN    VAL   75 - HA    THR   77   7.35 +/- 0.20   1.132% *  0.6589% (0.99   0.02   0.34) =   0.008%
    Distance limit 3.90 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 = 4.02, residual support = 37.7:
      O   HN    THR   77 - HA    THR   77   2.76 +/- 0.00 100.000% *100.0000% (0.53   4.02  37.70) = 100.000%  kept
    Distance limit 3.56 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 = 2.68, residual support = 10.7:
        T QD    PHE   45 - QG2   THR   77   2.69 +/- 0.26 100.000% *100.0000% (0.80   2.68  10.72) = 100.000%  kept
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2251 (8.47, 1.30, 23.34 ppm):
    5 chemical-shift based assignments, quality = 0.86, support = 3.69, residual support = 12.1:
          HN    THR   46 - QG2   THR   77   2.95 +/- 0.18  34.322% * 98.2218% (0.87   3.72  12.25) =  99.191%  kept
          HN    MET   92 - QG2   THR   77   3.01 +/- 1.72  65.636% *  0.4184% (0.69   0.02   0.02) =   0.808%
          HN    LYS+  74 - QG2   THR   77   9.03 +/- 0.30   0.037% *  0.5971% (0.98   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   77  12.91 +/- 0.28   0.004% *  0.3205% (0.53   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   77  27.95 +/- 2.52   0.000% *  0.4423% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2252 (9.28, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.02, residual support = 37.7:
          HN    THR   77 - QG2   THR   77   2.10 +/- 0.18 100.000% *100.0000% (0.87   4.02  37.70) = 100.000%  kept
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2253 (4.64, 1.48, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.612, support = 1.5, residual support = 8.15:
          HA    ALA   20 - HB2   LYS+  74   3.42 +/- 0.25  99.827% * 98.6222% (0.61   1.50   8.15) =  99.998%  kept
          HA    LEU   71 - HB2   LYS+  74  10.11 +/- 0.59   0.173% *  1.3778% (0.64   0.02   0.02) =   0.002%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2254 (4.64, 1.41, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 2.96, residual support = 8.15:
          HA    ALA   20 - HB3   LYS+  74   2.16 +/- 0.22  99.992% * 99.2963% (0.76   2.96   8.15) = 100.000%  kept
          HA    LEU   71 - HB3   LYS+  74  10.78 +/- 0.34   0.008% *  0.7037% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2255 (4.94, 1.41, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 6.18, residual support = 175.6:
      O   HA    LYS+  74 - HB3   LYS+  74   3.01 +/- 0.04  99.974% * 99.6658% (0.80   6.18 175.61) = 100.000%  kept
          HA    THR   94 - HB3   LYS+  74  12.92 +/- 0.30   0.016% *  0.2445% (0.61   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   LYS+  74  14.22 +/- 0.37   0.009% *  0.0897% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 131.8:
      O T HA    PRO   93 - HB2   PRO   93   2.30 +/- 0.00 100.000% * 99.9739% (0.49   5.98 131.75) = 100.000%  kept
        T HA    PRO   93 - HG3   GLN   30  18.80 +/- 0.68   0.000% *  0.0261% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 0.582, support = 1.18, residual support = 0.916:
          HB3   MET   92 - HB3   PRO   93   6.17 +/- 0.70   4.217% * 89.1974% (0.41   1.81   1.41) =  64.695%  kept
          QG1   ILE   56 - HB3   PRO   93   3.40 +/- 0.23  95.438% *  2.1469% (0.90   0.02   0.02) =  35.239%  kept
          QD    LYS+ 106 - HB3   PRO   93  11.07 +/- 0.67   0.092% *  1.8294% (0.76   0.02   0.02) =   0.029%
        T HD2   LYS+ 111 - HB3   PRO   93   9.96 +/- 0.74   0.177% *  0.7389% (0.31   0.02   0.02) =   0.023%
        T HB2   LEU   73 - HB3   PRO   93  13.55 +/- 0.84   0.029% *  1.3553% (0.57   0.02   0.02) =   0.007%
          HB    ILE   89 - HB3   PRO   93  12.48 +/- 0.30   0.042% *  0.8984% (0.38   0.02   0.02) =   0.007%
          QD    LYS+  99 - HB3   PRO   93  19.15 +/- 0.46   0.003% *  1.9168% (0.80   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HB3   PRO   93  20.40 +/- 0.88   0.002% *  1.9168% (0.80   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2258 (2.07, 1.36, 34.10 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.94, residual support = 131.8:
      O   HB2   PRO   93 - HB3   PRO   93   1.75 +/- 0.00  99.837% * 98.1612% (0.80   5.94 131.75) = 100.000%  kept
          HG3   PRO   52 - HB3   PRO   93   5.70 +/- 1.09   0.150% *  0.2834% (0.69   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   PRO   93   9.45 +/- 0.37   0.004% *  0.2834% (0.69   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   PRO   93   9.30 +/- 0.42   0.005% *  0.1696% (0.41   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB3   PRO   93   9.99 +/- 0.62   0.003% *  0.2008% (0.49   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   PRO   93  14.07 +/- 0.32   0.000% *  0.0918% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   PRO   93  19.50 +/- 1.08   0.000% *  0.0918% (0.22   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   93  25.61 +/- 2.26   0.000% *  0.3153% (0.76   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   93  33.51 +/- 2.81   0.000% *  0.3304% (0.80   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   PRO   93  25.81 +/- 0.50   0.000% *  0.0723% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 5.06, residual support = 131.8:
      O   HA    PRO   93 - HB3   PRO   93   2.73 +/- 0.00 100.000% *100.0000% (0.92   5.06 131.75) = 100.000%  kept
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2260 (6.87, 1.36, 34.10 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HB3   PRO   93   7.47 +/- 0.56 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 4.13 A violated in 20 structures by 3.34 A, eliminated.
    Peak unassigned.
 
    Peak 2263 (0.74, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 1.92, residual support = 13.6:
          QD1   ILE   19 - HG2   GLN   30   3.56 +/- 0.30  98.348% * 95.9176% (0.95   1.92  13.61) =  99.988%  kept
          QG1   VAL   43 - HG2   GLN   30   8.07 +/- 0.71   0.913% *  0.7244% (0.69   0.02   0.02) =   0.007%
          QG1   VAL   41 - HG2   GLN   30   8.77 +/- 0.29   0.494% *  0.5134% (0.49   0.02   0.02) =   0.003%
          QG2   VAL   18 - HG2   GLN   30  10.34 +/- 0.33   0.181% *  0.9458% (0.90   0.02   0.02) =   0.002%
          QG2   THR   46 - HG2   GLN   30  12.74 +/- 0.52   0.053% *  1.0178% (0.97   0.02   0.02) =   0.001%
          QD2   LEU  104 - HG2   GLN   30  16.29 +/- 0.49   0.012% *  0.8809% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2264 (1.52, 2.73, 33.78 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 0.75, residual support = 5.17:
        T QG2   THR   26 - HG2   GLN   30   3.07 +/- 0.28  99.917% * 80.7705% (0.61   0.75   5.17) =  99.998%  kept
          HB2   LYS+  74 - HG2   GLN   30  10.77 +/- 0.32   0.061% *  1.2113% (0.34   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HG2   GLN   30  13.92 +/- 0.35   0.013% *  2.0105% (0.57   0.02   0.02) =   0.000%
          HG    LEU  104 - HG2   GLN   30  17.43 +/- 0.54   0.003% *  2.5787% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   GLN   30  18.13 +/- 0.88   0.003% *  2.4393% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HG2   GLN   30  19.76 +/- 0.75   0.002% *  3.5433% (1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HG2   GLN   30  22.89 +/- 0.69   0.001% *  2.5787% (0.73   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG2   GLN   30  24.89 +/- 1.11   0.000% *  2.7139% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG2   GLN   30  25.68 +/- 0.51   0.000% *  2.1539% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 6.92, residual support = 236.3:
      O T HG2   LYS+ 112 - HB3   LYS+ 112   2.86 +/- 0.13  99.982% * 99.4344% (0.95   6.92 236.33) = 100.000%  kept
          QG1   VAL   42 - HB3   LYS+ 112  13.15 +/- 0.51   0.012% *  0.2932% (0.97   0.02   0.02) =   0.000%
          QB    ALA   47 - HB3   LYS+ 112  14.54 +/- 0.79   0.006% *  0.2724% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 6.47, residual support = 236.3:
      O T HA    LYS+ 112 - HB3   LYS+ 112   2.78 +/- 0.14  99.992% * 99.5567% (0.73   6.47 236.33) = 100.000%  kept
          HB    THR   46 - HB3   LYS+ 112  14.28 +/- 1.15   0.006% *  0.0943% (0.22   0.02   0.02) =   0.000%
          HB2   HIS  122 - HB3   LYS+ 112  17.42 +/- 0.47   0.002% *  0.1899% (0.45   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LYS+ 112  26.80 +/- 0.95   0.000% *  0.1590% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 5.88, residual support = 236.3:
      O   HN    LYS+ 112 - HB3   LYS+ 112   3.25 +/- 0.29  99.985% * 99.1629% (0.97   5.88 236.33) = 100.000%  kept
          HN    THR   46 - HB3   LYS+ 112  16.85 +/- 0.69   0.006% *  0.1311% (0.38   0.02   0.02) =   0.000%
          HN    MET   92 - HB3   LYS+ 112  15.87 +/- 0.88   0.008% *  0.0778% (0.22   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   LYS+ 112  20.83 +/- 0.76   0.002% *  0.2797% (0.80   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+ 112  37.23 +/- 2.71   0.000% *  0.3485% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2268 (8.50, 1.37, 32.81 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 5.71, residual support = 236.3:
      O   HN    LYS+ 112 - HB2   LYS+ 112   2.10 +/- 0.26  99.962% * 98.7185% (0.84   5.71 236.33) = 100.000%  kept
          HN    LYS+  74 - HB    VAL   42   8.85 +/- 0.68   0.036% *  0.1078% (0.26   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB    VAL   42  17.28 +/- 0.32   0.000% *  0.2917% (0.70   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB    VAL   42  17.57 +/- 0.50   0.000% *  0.1191% (0.29   0.02   0.02) =   0.000%
          HN    MET   11 - HB    VAL   42  24.23 +/- 2.57   0.000% *  0.2259% (0.55   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB2   LYS+ 112  20.04 +/- 0.63   0.000% *  0.1413% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   LYS+ 112  20.51 +/- 0.59   0.000% *  0.1278% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+ 112  37.68 +/- 2.81   0.000% *  0.2679% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2269 (5.28, 1.39, 32.90 ppm):
    4 chemical-shift based assignments, quality = 0.85, support = 2.87, residual support = 6.13:
          HA    PHE   72 - HB    VAL   42   3.23 +/- 0.62  98.910% * 99.2435% (0.85   2.87   6.13) =  99.998%  kept
          HA    MET   96 - HB    VAL   42   7.71 +/- 0.33   1.077% *  0.1572% (0.19   0.02   0.02) =   0.002%
          HA    PHE   72 - HB2   LYS+ 112  19.92 +/- 0.48   0.003% *  0.4884% (0.60   0.02   0.02) =   0.000%
          HA    MET   96 - HB2   LYS+ 112  16.11 +/- 0.32   0.010% *  0.1109% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2270 (8.95, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.783, support = 5.42, residual support = 84.9:
      O   HN    VAL   42 - HB    VAL   42   2.47 +/- 0.13  96.644% * 58.9175% (0.80   5.55  86.85) =  97.773%  kept
          HN    LEU   73 - HB    VAL   42   4.53 +/- 0.62   3.208% * 40.4196% (0.80   3.81   3.07) =   2.226%
          HN    ILE   19 - HB    VAL   42   7.58 +/- 0.77   0.129% *  0.0640% (0.24   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    VAL   42  10.89 +/- 0.55   0.016% *  0.1489% (0.56   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB2   LYS+ 112  14.98 +/- 0.20   0.002% *  0.1051% (0.40   0.02   0.02) =   0.000%
          HN    LEU   73 - HB2   LYS+ 112  19.36 +/- 0.48   0.000% *  0.1499% (0.57   0.02   0.02) =   0.000%
          HN    VAL   42 - HB2   LYS+ 112  20.20 +/- 0.43   0.000% *  0.1499% (0.57   0.02   0.02) =   0.000%
          HN    ILE   19 - HB2   LYS+ 112  21.63 +/- 0.65   0.000% *  0.0452% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.538, support = 1.59, residual support = 5.22:
          QD    PHE   60 - HB    VAL   42   5.39 +/- 0.47   6.694% * 93.8862% (0.66   2.00   6.58) =  76.958%  kept
          QD    PHE   55 - HB2   LYS+ 112   3.27 +/- 0.66  92.780% *  2.0260% (0.12   0.24   0.68) =  23.019%  kept
          HN    LYS+  66 - HB    VAL   42   8.93 +/- 0.27   0.340% *  0.3416% (0.24   0.02   0.02) =   0.014%
          HE3   TRP   27 - HB    VAL   42  10.60 +/- 0.55   0.123% *  0.3063% (0.22   0.02   0.02) =   0.005%
          QD    PHE   60 - HB2   LYS+ 112  12.43 +/- 0.30   0.044% *  0.6626% (0.47   0.02   0.02) =   0.004%
          HN    LYS+  81 - HB    VAL   42  20.66 +/- 0.64   0.002% *  1.2176% (0.86   0.02   0.02) =   0.000%
          QD    PHE   55 - HB    VAL   42  16.08 +/- 0.56   0.011% *  0.2431% (0.17   0.02   0.02) =   0.000%
          HN    LYS+  66 - HB2   LYS+ 112  17.51 +/- 0.52   0.005% *  0.2411% (0.17   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB2   LYS+ 112  27.13 +/- 0.59   0.000% *  0.8593% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LYS+ 112  23.57 +/- 0.58   0.001% *  0.2162% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2272 (6.71, 1.39, 32.90 ppm):
    6 chemical-shift based assignments, quality = 0.568, support = 0.958, residual support = 6.13:
        T QD    PHE   72 - HB    VAL   42   3.08 +/- 0.73  80.129% * 30.9083% (0.46   0.88   6.13) =  65.239%  kept
          HZ    PHE   72 - HB    VAL   42   4.14 +/- 0.40  19.705% * 66.9637% (0.78   1.11   6.13) =  34.759%  kept
          QE    PHE   45 - HB    VAL   42   9.44 +/- 0.20   0.151% *  0.4577% (0.30   0.02   0.02) =   0.002%
          HZ    PHE   72 - HB2   LYS+ 112  17.49 +/- 0.58   0.004% *  0.8492% (0.55   0.02   0.02) =   0.000%
        T QD    PHE   72 - HB2   LYS+ 112  16.17 +/- 0.41   0.006% *  0.4982% (0.32   0.02   0.02) =   0.000%
          QE    PHE   45 - HB2   LYS+ 112  16.95 +/- 0.41   0.004% *  0.3230% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2273 (8.88, 4.14, 45.70 ppm):
    2 chemical-shift based assignments, quality = 0.135, support = 2.86, residual support = 15.4:
      O   HN    GLY  101 - HA1   GLY  101   2.35 +/- 0.08  99.980% * 95.0954% (0.14   2.86  15.44) =  99.999%  kept
          HN    LEU   40 - HA1   GLY  101   9.79 +/- 0.64   0.020% *  4.9046% (1.00   0.02   0.02) =   0.001%
    Distance limit 3.39 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   2.93 +/- 0.02  99.952% * 98.5294% (0.38   2.86  15.44) =  99.999%  kept
          HN    LEU   40 - HA2   GLY  101  10.56 +/- 0.48   0.048% *  1.4706% (0.80   0.02   0.02) =   0.001%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2275 (8.24, 4.31, 53.06 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 1.72, residual support = 5.14:
      O   HN    SER   13 - HA    ALA   12   2.48 +/- 0.14  99.998% * 99.8144% (0.84   1.72   5.14) = 100.000%  kept
          HN    VAL   18 - HA    ALA   12  15.91 +/- 1.01   0.002% *  0.1856% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.50 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   2.56 +/- 0.29  99.999% * 98.8492% (0.85   2.38  12.45) = 100.000%  kept
          HN    ASN   35 - HA    ALA   12  21.74 +/- 3.05   0.000% *  0.5143% (0.53   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ALA   12  27.97 +/- 1.64   0.000% *  0.3183% (0.33   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ALA   12  32.62 +/- 1.28   0.000% *  0.3183% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2277 (8.36, 1.39, 19.22 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 2.29, residual support = 12.4:
      O   HN    ALA   12 - QB    ALA   12   2.76 +/- 0.28  99.997% * 97.6872% (0.46   2.29  12.45) = 100.000%  kept
          HN    ASN   35 - QB    ALA   12  18.10 +/- 2.62   0.002% *  1.6163% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    ALA   12  20.48 +/- 1.77   0.001% *  0.3066% (0.17   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    ALA   12  22.68 +/- 2.07   0.000% *  0.3898% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 3.49, residual support = 12.3:
      O   HN    ALA   12 - HA    MET   11   2.61 +/- 0.10  99.843% * 97.5865% (0.65   3.49  12.29) = 100.000%  kept
          HN    ALA   12 - HA    GLU-  14   7.99 +/- 0.78   0.156% *  0.2193% (0.25   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    MET   11  22.38 +/- 3.62   0.000% *  0.1923% (0.22   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    GLU-  14  18.48 +/- 1.62   0.001% *  0.0755% (0.09   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU-  14  23.40 +/- 0.89   0.000% *  0.2715% (0.31   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    MET   11  29.80 +/- 2.44   0.000% *  0.6917% (0.80   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    GLU-  14  27.90 +/- 0.72   0.000% *  0.2715% (0.31   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    MET   11  35.18 +/- 2.49   0.000% *  0.6917% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2279 (8.38, 1.92, 30.22 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.57, residual support = 12.3:
          HN    ALA   12 - HG3   MET   11   3.71 +/- 0.27  99.289% * 98.7272% (0.97   3.57  12.29) =  99.999%  kept
          HN    ALA   12 - HB3   GLU-  14   9.16 +/- 1.21   0.689% *  0.1961% (0.34   0.02   0.02) =   0.001%
          HN    ASN   35 - HB3   GLU-  14  16.98 +/- 1.82   0.016% *  0.1150% (0.20   0.02   0.02) =   0.000%
          HN    ASN   35 - HG3   MET   11  23.57 +/- 3.61   0.003% *  0.3240% (0.57   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   GLU-  14  22.70 +/- 1.21   0.002% *  0.0835% (0.15   0.02   0.02) =   0.000%
          HN    PHE   97 - HG3   MET   11  30.36 +/- 2.84   0.000% *  0.2353% (0.41   0.02   0.02) =   0.000%
          HN    LEU  115 - HB3   GLU-  14  27.97 +/- 1.01   0.001% *  0.0835% (0.15   0.02   0.02) =   0.000%
          HN    LEU  115 - HG3   MET   11  35.24 +/- 2.71   0.000% *  0.2353% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2280 (8.32, 4.41, 58.75 ppm):
    18 chemical-shift based assignments, quality = 0.923, support = 2.12, residual support = 6.81:
      O   HN    GLU-  14 - HA    SER   13   2.55 +/- 0.21  99.968% * 92.2183% (0.92   2.12   6.81) = 100.000%  kept
          HN    LYS+  99 - HA    SER   37  12.42 +/- 0.81   0.009% *  0.3662% (0.39   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   37  12.67 +/- 0.27   0.007% *  0.4038% (0.43   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   46  14.56 +/- 0.33   0.003% *  0.4147% (0.44   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    SER   37  16.79 +/- 2.13   0.002% *  0.4655% (0.49   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   13  17.89 +/- 1.95   0.001% *  0.7556% (0.80   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   37  17.46 +/- 2.14   0.001% *  0.4038% (0.43   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   37  14.48 +/- 0.25   0.003% *  0.1556% (0.16   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   46  17.74 +/- 0.66   0.001% *  0.4573% (0.48   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    THR   46  18.16 +/- 0.39   0.001% *  0.4573% (0.48   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   13  22.75 +/- 1.56   0.000% *  0.7556% (0.80   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   13  19.75 +/- 2.13   0.001% *  0.2913% (0.31   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   46  20.38 +/- 0.27   0.000% *  0.4147% (0.44   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    THR   46  19.22 +/- 0.34   0.001% *  0.1763% (0.19   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   13  25.20 +/- 1.76   0.000% *  0.6853% (0.73   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   46  25.04 +/- 1.34   0.000% *  0.5272% (0.56   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   37  27.71 +/- 0.56   0.000% *  0.3662% (0.39   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   13  33.06 +/- 1.54   0.000% *  0.6853% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 0.547, support = 0.02, residual support = 0.02:
          HN    LEU   73 - HA    THR   46  11.74 +/- 0.31  31.289% *  7.5418% (0.34   0.02   0.02) =  23.738%  kept
          HN    ILE   19 - HA    SER   13  14.34 +/- 0.83   9.881% * 21.8157% (0.99   0.02   0.02) =  21.683%  kept
          HN    ILE   19 - HA    THR   46  13.63 +/- 0.49  12.904% * 13.2032% (0.60   0.02   0.02) =  17.138%  kept
          HN    VAL   42 - HA    SER   37  12.70 +/- 0.32  19.742% *  6.6588% (0.30   0.02   0.02) =  13.224%  kept
          HN    ILE   19 - HA    SER   37  15.37 +/- 0.51   6.370% * 11.6574% (0.53   0.02   0.02) =   7.469%  kept
          HN    VAL   42 - HA    THR   46  14.64 +/- 0.22   8.309% *  7.5418% (0.34   0.02   0.02) =   6.304%  kept
          HN    LEU   73 - HA    SER   37  15.16 +/- 0.36   6.817% *  6.6588% (0.30   0.02   0.02) =   4.566%  kept
          HN    LEU   73 - HA    SER   13  17.97 +/- 0.99   2.523% * 12.4613% (0.57   0.02   0.02) =   3.163%  kept
          HN    VAL   42 - HA    SER   13  18.53 +/- 1.20   2.166% * 12.4613% (0.57   0.02   0.02) =   2.715%  kept
    Distance limit 3.42 A violated in 20 structures by 6.25 A, eliminated.
    Peak unassigned.
 
    Peak 2282 (7.91, 3.88, 64.19 ppm):
    8 chemical-shift based assignments, quality = 0.828, support = 3.43, residual support = 25.1:
      O   HN    SER   37 - HB3   SER   37   2.53 +/- 0.09  99.993% * 97.3503% (0.83   3.43  25.11) = 100.000%  kept
          HN    SER   37 - QB    SER   13  15.85 +/- 2.68   0.004% *  0.4345% (0.63   0.02   0.02) =   0.000%
          HN    CYS   21 - HB3   SER   37  16.09 +/- 0.48   0.002% *  0.2150% (0.31   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    SER   13  16.55 +/- 0.97   0.001% *  0.1645% (0.24   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   SER   37  22.18 +/- 0.57   0.000% *  0.4785% (0.70   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    SER   13  24.23 +/- 1.30   0.000% *  0.3661% (0.53   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   SER   37  26.70 +/- 0.88   0.000% *  0.5615% (0.82   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    SER   13  29.84 +/- 1.09   0.000% *  0.4297% (0.63   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 0.625, support = 0.0192, residual support = 0.0192:
          HA    PHE   59 - HB3   GLU-  14  21.06 +/- 1.03  53.346% * 22.8936% (0.69   0.02   0.02) =  69.890%  kept
          HA    LEU  104 - HB3   GLU-  14  25.48 +/- 1.19  17.280% * 12.5086% (0.38   0.02   0.02) =  12.369%  kept
          HA    TRP   87 - HB3   GLU-  14  31.96 +/- 1.81   4.516% * 33.2545% (1.00   0.02   0.02) =   8.595%  kept
          HA    PHE   59 - HG3   MET   11  28.05 +/- 2.83  11.574% *  8.1279% (0.24   0.02   0.02) =   5.383%  kept
          HA    ASP- 113 - HB3   GLU-  14  31.19 +/- 1.05   5.015% *  5.1424% (0.15   0.02   0.02) =   1.476%
          HA    LEU  104 - HG3   MET   11  31.70 +/- 3.50   5.558% *  4.4409% (0.13   0.02   0.02) =   1.413%
          HA    TRP   87 - HG3   MET   11  40.95 +/- 2.86   1.035% * 11.8063% (0.35   0.02   0.02) =   0.699%
          HA    ASP- 113 - HG3   MET   11  37.95 +/- 2.89   1.675% *  1.8257% (0.05   0.02   0.02) =   0.175%
    Distance limit 3.64 A violated in 20 structures by 15.71 A, eliminated.
    Peak unassigned.
 
    Peak 2285 (8.33, 1.92, 30.50 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 3.76, residual support = 47.3:
      O   HN    GLU-  14 - HB3   GLU-  14   2.97 +/- 0.42  99.744% * 97.8219% (0.92   3.76  47.34) = 100.000%  kept
          HN    GLU-  14 - HG3   MET   11   9.07 +/- 1.03   0.236% *  0.1847% (0.33   0.02   0.02) =   0.000%
          HN    GLN   30 - HB3   GLU-  14  14.16 +/- 1.65   0.016% *  0.1922% (0.34   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  14  20.50 +/- 1.36   0.001% *  0.5586% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  14  22.64 +/- 1.40   0.001% *  0.5636% (1.00   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   MET   11  26.71 +/- 3.33   0.000% *  0.1983% (0.35   0.02   0.02) =   0.000%
          HN    GLN   30 - HG3   MET   11  22.51 +/- 2.89   0.001% *  0.0683% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   MET   11  29.03 +/- 3.59   0.000% *  0.2001% (0.36   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  14  28.64 +/- 1.81   0.000% *  0.1567% (0.28   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   MET   11  37.63 +/- 3.03   0.000% *  0.0556% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2286 (8.34, 2.08, 30.50 ppm):
    12 chemical-shift based assignments, quality = 0.487, support = 3.76, residual support = 47.3:
      O   HN    GLU-  14 - HB2   GLU-  14   2.55 +/- 0.60  99.885% * 96.8584% (0.49   3.76  47.34) = 100.000%  kept
          HN    GLU-  14 - HG2   MET   11   9.25 +/- 1.30   0.109% *  0.1929% (0.18   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   GLU-  14  17.67 +/- 1.92   0.002% *  0.4351% (0.41   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  14  21.20 +/- 1.30   0.001% *  0.6846% (0.65   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  14  23.40 +/- 1.63   0.000% *  0.7685% (0.73   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ARG+  54  20.24 +/- 1.42   0.001% *  0.1007% (0.10   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   11  23.69 +/- 3.70   0.000% *  0.1629% (0.15   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   MET   11  26.61 +/- 3.40   0.000% *  0.2564% (0.24   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   MET   11  29.03 +/- 3.76   0.000% *  0.2878% (0.27   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ARG+  54  27.10 +/- 0.44   0.000% *  0.1130% (0.11   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ARG+  54  26.66 +/- 1.49   0.000% *  0.0758% (0.07   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ARG+  54  29.24 +/- 0.73   0.000% *  0.0640% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2289 (8.65, 4.41, 56.54 ppm):
    9 chemical-shift based assignments, quality = 0.965, support = 2.56, residual support = 7.51:
      O   HN    GLY   16 - HA    GLU-  15   2.63 +/- 0.17  99.990% * 96.9218% (0.97   2.56   7.51) = 100.000%  kept
          HN    GLY   16 - HA    LEU   40  13.44 +/- 1.18   0.007% *  0.6119% (0.78   0.02   0.02) =   0.000%
          HN    SER  117 - HA    LEU   40  18.63 +/- 0.57   0.001% *  0.5077% (0.65   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    ASN   35  16.72 +/- 1.34   0.002% *  0.1403% (0.18   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LEU   40  23.29 +/- 0.60   0.000% *  0.4356% (0.56   0.02   0.02) =   0.000%
          HN    SER  117 - HA    GLU-  15  24.82 +/- 0.51   0.000% *  0.6278% (0.80   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLU-  15  24.29 +/- 0.54   0.000% *  0.5386% (0.69   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ASN   35  21.47 +/- 0.52   0.000% *  0.0999% (0.13   0.02   0.02) =   0.000%
          HN    SER  117 - HA    ASN   35  25.52 +/- 0.60   0.000% *  0.1164% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 100.4:
      O   HN    ASN   28 - HA    ASN   28   2.74 +/- 0.02  99.999% * 99.6437% (0.84   6.01 100.40) = 100.000%  kept
          HN    ASN   69 - HA    ASN   28  19.63 +/- 0.53   0.001% *  0.3563% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 18.3:
        T HB2   LEU   31 - HA    ASN   28   2.58 +/- 0.50  99.590% * 84.3817% (0.38   2.55  18.30) =  99.997%  kept
          HG3   LYS+  33 - HA    ASN   28   8.42 +/- 1.50   0.204% *  0.4400% (0.25   0.02   0.02) =   0.001%
          HB3   LEU   73 - HA    ASN   28   8.45 +/- 0.42   0.113% *  0.6622% (0.38   0.02   0.02) =   0.001%
          HB3   LEU   80 - HA    ASN   28  10.26 +/- 0.35   0.042% *  0.9283% (0.53   0.02   3.03) =   0.000%
          HG    LEU   98 - HA    ASN   28  11.74 +/- 0.84   0.022% *  1.7028% (0.97   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ASN   28  12.62 +/- 0.37   0.013% *  1.7605% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ASN   28  15.84 +/- 0.52   0.003% *  1.3484% (0.76   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ASN   28  14.25 +/- 0.56   0.006% *  0.5446% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASN   28  16.84 +/- 1.16   0.003% *  1.0702% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ASN   28  17.62 +/- 1.47   0.002% *  0.7254% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ASN   28  20.92 +/- 0.79   0.001% *  1.7644% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ASN   28  19.43 +/- 0.71   0.001% *  1.1414% (0.65   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ASN   28  24.97 +/- 1.20   0.000% *  1.5824% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ASN   28  22.24 +/- 0.56   0.000% *  0.5446% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASN   28  26.39 +/- 0.61   0.000% *  0.5446% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASN   28  28.94 +/- 0.62   0.000% *  0.8588% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2292 (0.79, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.606, support = 3.0, residual support = 18.3:
          HG    LEU   31 - HA    ASN   28   2.25 +/- 0.79  99.182% * 97.1720% (0.61   3.00  18.30) =  99.993%  kept
          QD2   LEU   73 - HA    ASN   28   7.67 +/- 0.52   0.816% *  0.8162% (0.76   0.02   0.02) =   0.007%
          QD1   ILE   56 - HA    ASN   28  20.29 +/- 0.45   0.001% *  1.0308% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    ASN   28  23.62 +/- 0.63   0.001% *  0.8162% (0.76   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    ASN   28  23.45 +/- 0.88   0.001% *  0.1648% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 1 structures by 0.04 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   2.90 +/- 0.02  99.999% * 98.8273% (0.97   2.60   5.20) = 100.000%  kept
          HN    SER  117 - HA2   GLY   16  22.25 +/- 0.57   0.000% *  0.6312% (0.80   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY   16  26.94 +/- 0.39   0.000% *  0.5415% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 3.47, residual support = 18.4:
      O   HN    GLN   17 - HA2   GLY   16   3.52 +/- 0.02  99.486% * 97.5755% (0.65   3.47  18.35) =  99.998%  kept
          HD21  ASN   69 - HA2   GLY   16   9.71 +/- 1.46   0.436% *  0.3899% (0.45   0.02   0.02) =   0.002%
          HN    ALA   61 - HA2   GLY   16  11.86 +/- 0.74   0.073% *  0.4233% (0.49   0.02   0.02) =   0.000%
          HN    TRP   27 - HA2   GLY   16  19.52 +/- 0.57   0.003% *  0.1342% (0.15   0.02   0.02) =   0.000%
          HN    ALA   91 - HA2   GLY   16  27.50 +/- 0.41   0.000% *  0.3575% (0.41   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA2   GLY   16  31.76 +/- 0.67   0.000% *  0.6963% (0.80   0.02   0.02) =   0.000%
          HN    TRP   87 - HA2   GLY   16  29.96 +/- 0.42   0.000% *  0.4233% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 3.47, residual support = 18.4:
      O   HN    GLN   17 - HA1   GLY   16   3.14 +/- 0.04  99.516% * 97.5755% (0.65   3.47  18.35) =  99.998%  kept
          HD21  ASN   69 - HA1   GLY   16   8.38 +/- 1.18   0.429% *  0.3899% (0.45   0.02   0.02) =   0.002%
          HN    ALA   61 - HA1   GLY   16  11.24 +/- 0.64   0.052% *  0.4233% (0.49   0.02   0.02) =   0.000%
          HN    TRP   27 - HA1   GLY   16  18.76 +/- 0.63   0.002% *  0.1342% (0.15   0.02   0.02) =   0.000%
          HN    ALA   91 - HA1   GLY   16  26.61 +/- 0.42   0.000% *  0.3575% (0.41   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA1   GLY   16  30.52 +/- 0.78   0.000% *  0.6963% (0.80   0.02   0.02) =   0.000%
          HN    TRP   87 - HA1   GLY   16  28.92 +/- 0.55   0.000% *  0.4233% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.00 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   2.29 +/- 0.02 100.000% * 97.5103% (0.57   2.60   5.20) = 100.000%  kept
          HN    SER  117 - HA1   GLY   16  21.09 +/- 0.53   0.000% *  0.4522% (0.34   0.02   0.02) =   0.000%
          HN    SER   82 - HA1   GLY   16  26.18 +/- 0.51   0.000% *  1.3229% (1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HA1   GLY   16  21.98 +/- 1.09   0.000% *  0.2624% (0.20   0.02   0.02) =   0.000%
          HN    GLN   90 - HA1   GLY   16  27.32 +/- 0.47   0.000% *  0.4522% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 84.0:
      O T HB3   GLN   17 - QG    GLN   17   2.46 +/- 0.03  98.841% * 96.7276% (0.58   4.31  84.03) =  99.997%  kept
          QB    LYS+  65 - QG    GLN   17   7.05 +/- 1.25   0.342% *  0.5664% (0.74   0.02   0.02) =   0.002%
          HB2   LEU   71 - HB    VAL   70   6.35 +/- 0.21   0.343% *  0.1178% (0.15   0.02  31.48) =   0.000%
          HB2   LEU   71 - QG    GLN   17  10.10 +/- 1.18   0.029% *  0.5753% (0.75   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB    VAL   70   6.75 +/- 0.23   0.238% *  0.0494% (0.06   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG    GLN   17   9.92 +/- 0.82   0.026% *  0.2413% (0.31   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB    VAL   70   8.75 +/- 0.20   0.050% *  0.1160% (0.15   0.02   0.02) =   0.000%
          HB    VAL   41 - HB    VAL   70   8.39 +/- 0.61   0.070% *  0.0300% (0.04   0.02   2.70) =   0.000%
        T HB3   GLN   17 - HB    VAL   70  10.80 +/- 0.56   0.015% *  0.0919% (0.12   0.02   0.02) =   0.000%
          HB    VAL   41 - QG    GLN   17  13.38 +/- 1.28   0.005% *  0.1463% (0.19   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB    VAL   70   9.64 +/- 0.86   0.033% *  0.0185% (0.02   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB    VAL   70  13.58 +/- 0.51   0.004% *  0.1078% (0.14   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG    GLN   17  19.70 +/- 0.81   0.000% *  0.5263% (0.69   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    GLN   17  18.96 +/- 1.02   0.001% *  0.4031% (0.52   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    GLN   17  17.58 +/- 1.11   0.001% *  0.0906% (0.12   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB    VAL   70  13.88 +/- 0.90   0.003% *  0.0185% (0.02   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    GLN   17  19.45 +/- 0.96   0.000% *  0.0906% (0.12   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   70  20.10 +/- 0.83   0.000% *  0.0826% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2298 (7.70, 2.21, 33.80 ppm):
    14 chemical-shift based assignments, quality = 0.494, support = 5.62, residual support = 84.0:
          HN    GLN   17 - QG    GLN   17   2.64 +/- 0.54  97.094% * 98.1169% (0.49   5.62  84.03) =  99.998%  kept
          HD21  ASN   69 - HB    VAL   70   5.24 +/- 0.85   2.520% *  0.0495% (0.07   0.02  26.28) =   0.001%
          HN    ALA   61 - QG    GLN   17   9.41 +/- 1.11   0.147% *  0.2625% (0.37   0.02   0.02) =   0.000%
          HN    GLN   17 - HB    VAL   70   8.24 +/- 0.66   0.180% *  0.0715% (0.10   0.02   0.02) =   0.000%
          HD21  ASN   69 - QG    GLN   17  11.47 +/- 0.96   0.025% *  0.2418% (0.34   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    VAL   70  11.37 +/- 0.22   0.025% *  0.0538% (0.08   0.02   0.02) =   0.000%
          HN    TRP   27 - QG    GLN   17  14.77 +/- 1.38   0.005% *  0.0832% (0.12   0.02   0.02) =   0.000%
          HN    ALA   91 - QG    GLN   17  21.83 +/- 0.84   0.001% *  0.2217% (0.31   0.02   0.02) =   0.000%
          HN    TRP   87 - QG    GLN   17  24.08 +/- 0.92   0.000% *  0.2625% (0.37   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG    GLN   17  26.17 +/- 0.91   0.000% *  0.4319% (0.61   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    VAL   70  17.76 +/- 0.28   0.002% *  0.0170% (0.02   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    VAL   70  26.32 +/- 0.74   0.000% *  0.0885% (0.13   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    VAL   70  24.18 +/- 0.72   0.000% *  0.0454% (0.06   0.02   0.02) =   0.000%
          HN    TRP   87 - HB    VAL   70  25.78 +/- 0.49   0.000% *  0.0538% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2299 (8.27, 2.21, 33.80 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 5.81, residual support = 51.0:
          HN    VAL   18 - QG    GLN   17   3.84 +/- 0.45  98.615% * 99.7451% (0.76   5.81  51.04) =  99.999%  kept
          HN    SER   13 - QG    GLN   17   9.18 +/- 0.82   0.712% *  0.0766% (0.17   0.02   0.02) =   0.001%
          HN    VAL   18 - HB    VAL   70   9.21 +/- 0.32   0.606% *  0.0703% (0.16   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG    GLN   17  15.50 +/- 1.47   0.030% *  0.0766% (0.17   0.02   0.02) =   0.000%
          HN    SER   13 - HB    VAL   70  16.42 +/- 1.63   0.024% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB    VAL   70  17.42 +/- 0.40   0.013% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2300 (7.70, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.29, residual support = 84.0:
      O   HN    GLN   17 - HB3   GLN   17   3.11 +/- 0.31  99.848% * 98.3964% (0.65   5.29  84.03) = 100.000%  kept
          HN    ALA   61 - HB3   GLN   17  10.30 +/- 0.96   0.123% *  0.2800% (0.49   0.02   0.02) =   0.000%
          HD21  ASN   69 - HB3   GLN   17  13.09 +/- 0.87   0.024% *  0.2579% (0.45   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   GLN   17  16.26 +/- 0.88   0.005% *  0.0887% (0.15   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   GLN   17  24.03 +/- 0.52   0.001% *  0.2365% (0.41   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   GLN   17  26.59 +/- 0.57   0.000% *  0.2800% (0.49   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   GLN   17  28.97 +/- 0.69   0.000% *  0.4606% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2301 (8.27, 1.79, 31.50 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 5.47, residual support = 51.0:
          HN    VAL   18 - HB3   GLN   17   3.80 +/- 0.06  99.742% * 99.8372% (1.00   5.47  51.04) = 100.000%  kept
          HN    SER   13 - HB3   GLN   17  10.68 +/- 0.96   0.245% *  0.0814% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   GLN   17  17.18 +/- 1.09   0.013% *  0.0814% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 84.0:
      O T HB3   GLN   17 - HA    GLN   17   2.75 +/- 0.33  98.669% * 97.1413% (0.76   4.00  84.03) =  99.992%  kept
          QB    LYS+  65 - HA    GLN   17   6.17 +/- 0.57   1.164% *  0.6134% (0.97   0.02   0.02) =   0.007%
          QB    LYS+  66 - HA    GLN   17   8.99 +/- 0.47   0.108% *  0.2613% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    GLN   17  10.44 +/- 0.64   0.045% *  0.6230% (0.98   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    GLN   17  13.67 +/- 0.90   0.009% *  0.1585% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    GLN   17  19.31 +/- 1.07   0.001% *  0.4366% (0.69   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    GLN   17  20.55 +/- 0.56   0.001% *  0.5700% (0.90   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    GLN   17  17.93 +/- 0.99   0.002% *  0.0981% (0.15   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    GLN   17  19.97 +/- 0.86   0.001% *  0.0981% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2303 (1.80, 2.01, 31.84 ppm):
    27 chemical-shift based assignments, quality = 0.185, support = 4.0, residual support = 84.0:
      O T HB3   GLN   17 - HB2   GLN   17   1.75 +/- 0.00  99.817% * 86.6210% (0.18   4.00  84.03) =  99.998%  kept
          QB    LYS+  65 - HB3   PRO   68   6.58 +/- 1.47   0.061% *  1.3722% (0.59   0.02   0.02) =   0.001%
        T HB3   GLN   17 - QB    GLU-  15   6.27 +/- 0.36   0.051% *  0.4861% (0.21   0.02   0.64) =   0.000%
          QB    LYS+  66 - HB3   PRO   68   7.16 +/- 0.31   0.022% *  0.5846% (0.25   0.02   0.02) =   0.000%
          HB2   LEU   71 - QB    GLU-  15   8.81 +/- 1.54   0.014% *  0.6235% (0.27   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HB3   PRO   68   9.36 +/- 2.05   0.007% *  1.0867% (0.46   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   GLN   17   7.98 +/- 0.66   0.013% *  0.5469% (0.23   0.02   0.02) =   0.000%
          QB    LYS+  65 - QB    GLU-  15   9.35 +/- 0.83   0.005% *  0.6139% (0.26   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB3   PRO   68  11.48 +/- 0.48   0.001% *  1.3937% (0.59   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   GLN   17  11.35 +/- 0.58   0.001% *  0.5555% (0.24   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    GLU-  15  10.91 +/- 0.68   0.002% *  0.2615% (0.11   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   GLN   17  11.15 +/- 0.50   0.002% *  0.2330% (0.10   0.02   0.02) =   0.000%
          HB    VAL   41 - QB    GLU-  15  12.88 +/- 1.77   0.001% *  0.1586% (0.07   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   PRO   68  14.94 +/- 0.82   0.000% *  0.3546% (0.15   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   PRO   68  19.50 +/- 0.77   0.000% *  1.2752% (0.54   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   GLN   17  14.63 +/- 0.88   0.000% *  0.1413% (0.06   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QB    GLU-  15  18.72 +/- 1.39   0.000% *  0.5705% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   68  16.09 +/- 1.21   0.000% *  0.2194% (0.09   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   GLN   17  19.63 +/- 1.27   0.000% *  0.3893% (0.17   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    GLU-  15  16.28 +/- 1.53   0.000% *  0.0981% (0.04   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   PRO   68  24.43 +/- 1.26   0.000% *  0.9767% (0.42   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   GLN   17  21.90 +/- 0.51   0.000% *  0.5083% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - QB    GLU-  15  23.21 +/- 0.80   0.000% *  0.4369% (0.19   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   PRO   68  21.00 +/- 0.90   0.000% *  0.2194% (0.09   0.02   0.02) =   0.000%
          HG12  ILE  103 - QB    GLU-  15  19.75 +/- 1.44   0.000% *  0.0981% (0.04   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   GLN   17  19.67 +/- 1.00   0.000% *  0.0874% (0.04   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   GLN   17  21.14 +/- 0.77   0.000% *  0.0874% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2304 (4.75, 2.01, 31.84 ppm):
    3 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 36.8:
      O   HA    PRO   68 - HB3   PRO   68   2.35 +/- 0.13  99.164% * 99.4311% (0.19   2.96  36.77) =  99.997%  kept
          HA    PRO   68 - QB    GLU-  15   5.79 +/- 0.96   0.788% *  0.3008% (0.08   0.02   0.02) =   0.002%
          HA    PRO   68 - HB2   GLN   17   8.98 +/- 1.56   0.047% *  0.2680% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2305 (8.27, 2.01, 31.84 ppm):
    9 chemical-shift based assignments, quality = 0.241, support = 5.47, residual support = 51.0:
          HN    VAL   18 - HB2   GLN   17   2.70 +/- 0.20  98.656% * 97.9601% (0.24   5.47  51.04) =  99.998%  kept
          HN    SER   13 - QB    GLU-  15   6.06 +/- 0.97   1.104% *  0.0897% (0.06   0.02   0.02) =   0.001%
          HN    VAL   18 - QB    GLU-  15   8.25 +/- 0.34   0.138% *  0.4018% (0.27   0.02   0.02) =   0.001%
          HN    VAL   18 - HB3   PRO   68   9.96 +/- 1.77   0.061% *  0.8982% (0.61   0.02   0.02) =   0.001%
          HN    SER   13 - HB3   PRO   68  12.39 +/- 1.90   0.017% *  0.2004% (0.14   0.02   0.02) =   0.000%
          HN    SER   13 - HB2   GLN   17  11.90 +/- 0.86   0.018% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  15  15.33 +/- 1.19   0.004% *  0.0897% (0.06   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   GLN   17  16.96 +/- 0.50   0.002% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   PRO   68  21.56 +/- 0.86   0.000% *  0.2004% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2306 (8.28, 4.42, 54.38 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 5.47, residual support = 51.0:
      O   HN    VAL   18 - HA    GLN   17   2.42 +/- 0.01  99.999% * 99.7203% (0.84   5.47  51.04) = 100.000%  kept
          HN    GLU-  29 - HA    GLN   17  17.70 +/- 0.45   0.001% *  0.2124% (0.49   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   17  25.90 +/- 0.25   0.000% *  0.0673% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2307 (0.38, 4.42, 54.38 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 1.22, residual support = 2.45:
        T QB    ALA   64 - HA    GLN   17   2.93 +/- 0.31  99.833% * 97.0184% (0.69   1.22   2.45) =  99.998%  kept
        T QG1   VAL   42 - HA    GLN   17   8.76 +/- 0.60   0.162% *  1.1240% (0.49   0.02   0.02) =   0.002%
        T QB    ALA   47 - HA    GLN   17  16.55 +/- 0.49   0.003% *  1.4006% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    GLN   17  18.71 +/- 1.30   0.002% *  0.4570% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2308 (8.28, 1.96, 32.56 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.99, residual support = 78.2:
      O   HN    VAL   18 - HB    VAL   18   2.71 +/- 0.31  99.996% * 99.6934% (0.84   4.99  78.25) = 100.000%  kept
          HN    GLU-  29 - HB    VAL   18  15.67 +/- 0.50   0.003% *  0.2328% (0.49   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB    VAL   18  21.89 +/- 0.41   0.000% *  0.0738% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2309 (2.84, 4.00, 62.64 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 1.5, residual support = 6.68:
        T HB2   PHE   72 - HA    VAL   18   2.33 +/- 0.49  98.769% * 96.8102% (0.49   1.50   6.69) =  99.967%  kept
          HA    ALA   64 - HA    VAL   18   5.39 +/- 0.28   1.229% *  2.5994% (0.98   0.02   8.15) =   0.033%
        T HB3   ASN   35 - HA    VAL   18  16.87 +/- 0.42   0.001% *  0.5904% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 4.84, residual support = 22.4:
      O   HN    ILE   19 - HA    VAL   18   2.24 +/- 0.03  98.727% * 98.8372% (0.73   4.84  22.37) =  99.993%  kept
          HN    LEU   73 - HA    VAL   18   4.79 +/- 0.35   1.162% *  0.5188% (0.92   0.02   0.02) =   0.006%
          HN    VAL   42 - HA    VAL   18   7.01 +/- 0.34   0.111% *  0.5188% (0.92   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HA    VAL   18  17.25 +/- 0.39   0.000% *  0.1251% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 0.565, support = 0.0192, residual support = 0.0192:
          HG    LEU   73 - QG1   VAL   18   5.13 +/- 0.58  61.613% *  8.7275% (0.61   0.02   0.02) =  78.674%  kept
          QB    ALA   61 - QG1   VAL   18   5.89 +/- 0.50  30.038% *  2.2202% (0.15   0.02   0.02) =   9.757%  kept
          HG    LEU   67 - QG1   VAL   18   9.54 +/- 1.17   1.795% * 14.3572% (1.00   0.02   0.02) =   3.770%  kept
          HG    LEU   40 - QG1   VAL   18   9.53 +/- 1.05   1.701% * 14.2618% (0.99   0.02   0.02) =   3.549%  kept
          HB3   LEU   67 - QG1   VAL   18   8.85 +/- 0.71   2.380% *  3.5880% (0.25   0.02   0.02) =   1.249%
          HB3   LEU  115 - QG1   VAL   18  11.55 +/- 0.70   0.439% * 14.2618% (0.99   0.02   0.02) =   0.916%
          QG    LYS+  66 - QG1   VAL   18  10.18 +/- 0.46   0.949% *  5.9156% (0.41   0.02   0.02) =   0.822%
          HB3   LEU   40 - QG1   VAL   18  11.06 +/- 1.10   0.618% *  6.4511% (0.45   0.02   0.02) =   0.583%
          HG    LEU  115 - QG1   VAL   18  12.53 +/- 0.95   0.295% *  9.8840% (0.69   0.02   0.02) =   0.427%
          QB    ALA  120 - QG1   VAL   18  14.00 +/- 0.47   0.135% *  9.8840% (0.69   0.02   0.02) =   0.195%
          HG2   LYS+ 102 - QG1   VAL   18  17.51 +/- 1.08   0.037% * 10.4487% (0.73   0.02   0.02) =   0.057%
    Distance limit 2.97 A violated in 20 structures by 1.71 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 = 9.4:
        T QB    ALA   34 - QG1   VAL   41   1.89 +/- 0.23  99.849% * 94.2977% (0.49   2.96   9.40) = 100.000%  kept
          QG2   ILE   56 - QG2   VAL   18   7.11 +/- 0.50   0.046% *  0.3091% (0.24   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG1   VAL   41   7.49 +/- 0.78   0.041% *  0.2295% (0.18   0.02   0.02) =   0.000%
          QG2   THR   77 - QG2   VAL   18   9.66 +/- 0.44   0.008% *  0.6073% (0.46   0.02   0.02) =   0.000%
        T QB    ALA   34 - QG2   VAL   18   9.62 +/- 0.46   0.008% *  0.4874% (0.37   0.02   0.02) =   0.000%
          QG2   THR   23 - QG2   VAL   18  11.67 +/- 0.32   0.002% *  0.8364% (0.64   0.02   0.02) =   0.000%
          QG2   THR   77 - QG1   VAL   41  12.29 +/- 0.50   0.002% *  0.7947% (0.61   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   VAL   41  13.35 +/- 0.30   0.001% *  1.0944% (0.84   0.02   0.02) =   0.000%
          QB    ALA   34 - QD2   LEU  104   7.96 +/- 0.49   0.030% *  0.0343% (0.03   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QG1   VAL   41  12.17 +/- 0.51   0.002% *  0.4044% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   VAL   18  17.54 +/- 1.66   0.001% *  0.1754% (0.13   0.02   0.02) =   0.000%
          QB    ALA   88 - QG1   VAL   41  17.23 +/- 0.62   0.000% *  0.3267% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD2   LEU  104  10.03 +/- 0.92   0.006% *  0.0123% (0.01   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   18  17.09 +/- 0.42   0.000% *  0.2497% (0.19   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD2   LEU  104  13.57 +/- 0.46   0.001% *  0.0217% (0.02   0.02   0.02) =   0.000%
          QG2   THR   77 - QD2   LEU  104  15.32 +/- 0.27   0.000% *  0.0427% (0.03   0.02   0.02) =   0.000%
          QG2   THR   23 - QD2   LEU  104  19.16 +/- 0.36   0.000% *  0.0588% (0.04   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU  104  19.88 +/- 0.53   0.000% *  0.0175% (0.01   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2313 (1.82, 0.76, 22.78 ppm):
    30 chemical-shift based assignments, quality = 0.835, support = 3.83, residual support = 70.8:
      O T HB    VAL   41 - QG1   VAL   41   2.14 +/- 0.01  88.733% * 93.3375% (0.84   3.83  70.85) =  99.987%  kept
          HB2   LEU   71 - QG1   VAL   41   4.45 +/- 0.52   1.465% *  0.4011% (0.69   0.02   2.75) =   0.007%
          QB    LYS+ 102 - QD2   LEU  104   3.24 +/- 0.35   8.367% *  0.0262% (0.04   0.02   0.21) =   0.003%
          HB3   GLN   17 - QG2   VAL   18   4.83 +/- 0.52   0.774% *  0.0883% (0.15   0.02  51.04) =   0.001%
          HG12  ILE  103 - QG1   VAL   41   6.46 +/- 0.72   0.151% *  0.4011% (0.69   0.02   0.02) =   0.001%
          QB    LYS+  65 - QG2   VAL   18   6.57 +/- 0.49   0.128% *  0.3240% (0.55   0.02   0.02) =   0.001%
          QB    LYS+ 102 - QG1   VAL   41   7.16 +/- 0.46   0.067% *  0.4877% (0.84   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   18   8.36 +/- 0.51   0.027% *  0.4307% (0.74   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG2   VAL   18   8.94 +/- 0.49   0.018% *  0.3065% (0.52   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  104   5.90 +/- 0.23   0.206% *  0.0215% (0.04   0.02  37.92) =   0.000%
        T HB    VAL   41 - QG2   VAL   18  10.50 +/- 0.73   0.007% *  0.3727% (0.64   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG1   VAL   41  11.66 +/- 0.22   0.003% *  0.5635% (0.97   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   18  12.48 +/- 0.86   0.002% *  0.4374% (0.75   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD2   LEU  104   8.30 +/- 0.78   0.031% *  0.0262% (0.04   0.02   0.02) =   0.000%
          QB    LYS+  65 - QG1   VAL   41  13.35 +/- 0.18   0.001% *  0.4240% (0.73   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   18  13.36 +/- 0.69   0.002% *  0.1835% (0.31   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG2   VAL   18  14.80 +/- 0.99   0.001% *  0.3065% (0.52   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   18  13.93 +/- 0.52   0.001% *  0.1835% (0.31   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG1   VAL   41  17.05 +/- 0.65   0.000% *  0.5723% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  13.46 +/- 0.67   0.002% *  0.1156% (0.20   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG2   VAL   18  16.34 +/- 0.61   0.000% *  0.3727% (0.64   0.02   0.02) =   0.000%
          HG    LEU  123 - QG1   VAL   41  15.35 +/- 0.85   0.001% *  0.2401% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD2   LEU  104  10.83 +/- 0.42   0.005% *  0.0215% (0.04   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  104  11.65 +/- 0.40   0.003% *  0.0303% (0.05   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG1   VAL   41  19.66 +/- 0.90   0.000% *  0.2401% (0.41   0.02   0.02) =   0.000%
          HG    LEU  123 - QD2   LEU  104  12.56 +/- 0.59   0.002% *  0.0129% (0.02   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU  104  14.97 +/- 0.35   0.001% *  0.0228% (0.04   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU  104  18.26 +/- 0.24   0.000% *  0.0307% (0.05   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  18.39 +/- 0.57   0.000% *  0.0062% (0.01   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  104  20.91 +/- 0.85   0.000% *  0.0129% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.68 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 = 0.573, support = 2.82, residual support = 16.0:
          HB3   LEU   40 - QG1   VAL   41   5.07 +/- 0.24   4.663% * 83.3545% (0.46   3.73  21.09) =  74.952%  kept
          HB2   LYS+  74 - QG2   VAL   18   3.23 +/- 0.78  84.914% *  0.9551% (0.99   0.02   0.99) =  15.640%  kept
          HG2   LYS+  65 - QG2   VAL   18   5.97 +/- 0.70   5.529% *  8.6930% (0.76   0.24   0.02) =   9.269%  kept
          HB3   LEU   40 - QD2   LEU  104   5.58 +/- 0.93   3.852% *  0.0898% (0.09   0.02   0.02) =   0.067%
          QG2   THR   26 - QG2   VAL   18   8.76 +/- 0.27   0.174% *  0.8049% (0.84   0.02   0.02) =   0.027%
          QG2   THR   26 - QG1   VAL   41   9.58 +/- 0.30   0.101% *  0.6151% (0.64   0.02   0.02) =   0.012%
          QD    LYS+  66 - QG2   VAL   18   9.41 +/- 0.96   0.166% *  0.2974% (0.31   0.02   0.02) =   0.010%
          HD2   LYS+ 121 - QD2   LEU  104   8.36 +/- 1.05   0.352% *  0.1017% (0.11   0.02   0.02) =   0.007%
          HB2   LYS+  74 - QG1   VAL   41  11.19 +/- 0.46   0.040% *  0.7299% (0.76   0.02   0.02) =   0.006%
          HB3   LEU   40 - QG2   VAL   18  11.96 +/- 0.78   0.029% *  0.5844% (0.61   0.02   0.02) =   0.003%
          HG    LEU  115 - QG2   VAL   18  11.95 +/- 0.82   0.028% *  0.3616% (0.38   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - QG1   VAL   41  13.38 +/- 1.08   0.016% *  0.5058% (0.52   0.02   0.02) =   0.002%
          QB    ALA  120 - QG2   VAL   18  13.53 +/- 0.47   0.013% *  0.3616% (0.38   0.02   0.02) =   0.001%
          HG2   LYS+  65 - QG1   VAL   41  14.86 +/- 0.45   0.007% *  0.5628% (0.58   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QG2   VAL   18  16.00 +/- 0.88   0.005% *  0.6619% (0.69   0.02   0.02) =   0.001%
          QB    ALA  120 - QD2   LEU  104  10.62 +/- 0.39   0.054% *  0.0556% (0.06   0.02   0.02) =   0.001%
          QB    ALA  120 - QG1   VAL   41  14.01 +/- 0.38   0.010% *  0.2764% (0.29   0.02   0.02) =   0.001%
          QD    LYS+  66 - QG1   VAL   41  13.61 +/- 0.28   0.012% *  0.2273% (0.24   0.02   0.02) =   0.001%
          HG    LEU  115 - QG1   VAL   41  16.36 +/- 1.08   0.004% *  0.2764% (0.29   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  15.73 +/- 0.38   0.005% *  0.1237% (0.13   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  104  16.31 +/- 0.34   0.004% *  0.1468% (0.15   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  13.55 +/- 0.50   0.012% *  0.0457% (0.05   0.02   0.02) =   0.000%
          HG    LEU  115 - QD2   LEU  104  15.39 +/- 0.61   0.006% *  0.0556% (0.06   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  17.51 +/- 0.44   0.003% *  0.1132% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 3 structures by 0.13 A, kept.
 
    Peak 2315 (3.75, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.862, support = 0.0199, residual support = 0.0199:
        T HA    ALA   61 - QG2   VAL   18   3.56 +/- 0.46  98.804% * 17.8607% (0.87   0.02   0.02) =  99.366%  kept
          HD2   PRO   68 - QG2   VAL   18  10.09 +/- 0.56   0.244% * 20.1827% (0.98   0.02   0.02) =   0.277%
          HD2   PRO   68 - QG1   VAL   41  11.87 +/- 1.00   0.135% * 15.4242% (0.75   0.02   0.02) =   0.117%
          HD3   PRO   58 - QG2   VAL   18   8.77 +/- 0.45   0.499% *  4.0748% (0.20   0.02   0.02) =   0.114%
          HA    VAL   24 - QG1   VAL   41  11.53 +/- 0.42   0.115% *  7.6594% (0.37   0.02   0.02) =   0.050%
        T HA    ALA   61 - QG1   VAL   41  13.52 +/- 0.23   0.042% * 13.6497% (0.66   0.02   0.02) =   0.032%
          HA    VAL   24 - QG2   VAL   18  13.36 +/- 0.36   0.045% * 10.0224% (0.49   0.02   0.02) =   0.025%
          HD2   PRO   68 - QD2   LEU  104  13.07 +/- 1.16   0.077% *  3.1013% (0.15   0.02   0.02) =   0.013%
          HD3   PRO   58 - QG1   VAL   41  16.74 +/- 0.41   0.012% *  3.1141% (0.15   0.02   0.02) =   0.002%
          HA    ALA   61 - QD2   LEU  104  16.41 +/- 0.31   0.013% *  2.7445% (0.13   0.02   0.02) =   0.002%
          HA    VAL   24 - QD2   LEU  104  18.27 +/- 0.58   0.007% *  1.5401% (0.07   0.02   0.02) =   0.001%
          HD3   PRO   58 - QD2   LEU  104  18.00 +/- 0.23   0.007% *  0.6261% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 14 structures by 0.67 A, eliminated.
    Peak unassigned.
 
    Peak 2316 (4.86, 0.76, 22.78 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 4.08, residual support = 70.8:
      O T HA    VAL   41 - QG1   VAL   41   2.90 +/- 0.23  99.042% * 97.8875% (0.65   4.08  70.85) =  99.998%  kept
          HA    PHE   45 - QG2   VAL   18   8.59 +/- 0.54   0.170% *  0.5655% (0.76   0.02   0.02) =   0.001%
        T HA    VAL   41 - QG2   VAL   18   9.12 +/- 0.62   0.137% *  0.3666% (0.49   0.02   0.02) =   0.001%
          HA    PHE   45 - QG1   VAL   41  11.68 +/- 0.53   0.030% *  0.7400% (1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG1   VAL   41  11.26 +/- 0.59   0.034% *  0.2062% (0.28   0.02   0.02) =   0.000%
          HA    HIS  122 - QD2   LEU  104   7.51 +/- 0.59   0.405% *  0.0111% (0.01   0.02   0.02) =   0.000%
        T HA    VAL   41 - QD2   LEU  104   8.50 +/- 0.28   0.168% *  0.0258% (0.03   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   18  13.78 +/- 0.70   0.010% *  0.1576% (0.21   0.02   0.02) =   0.000%
          HA    PHE   45 - QD2   LEU  104  15.65 +/- 0.21   0.004% *  0.0397% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 1.0, support = 0.75, residual support = 1.5:
          QD    PHE   60 - QG1   VAL   18   2.98 +/- 0.35  99.596% * 95.5540% (1.00   0.75   1.50) =  99.995%  kept
          HN    LYS+  66 - QG1   VAL   18   8.86 +/- 0.34   0.162% *  1.7503% (0.69   0.02   0.02) =   0.003%
          QE    PHE   59 - QG1   VAL   18   8.84 +/- 1.04   0.230% *  0.5673% (0.22   0.02   0.02) =   0.001%
          HN    LYS+  81 - QG1   VAL   18  13.76 +/- 0.30   0.012% *  2.1284% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2318 (8.26, 0.86, 22.91 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.49, residual support = 78.2:
          HN    VAL   18 - QG1   VAL   18   3.60 +/- 0.10  99.971% * 99.8233% (0.92   5.49  78.25) = 100.000%  kept
          HN    SER   13 - QG1   VAL   18  14.18 +/- 0.65   0.029% *  0.1767% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2319 (8.45, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.309, support = 0.987, residual support = 0.987:
          HN    LYS+  74 - QG1   VAL   18   3.04 +/- 0.29  99.470% * 88.9046% (0.31   0.99   0.99) =  99.974%  kept
          HN    THR   46 - QG1   VAL   18   7.51 +/- 0.30   0.495% *  4.2382% (0.73   0.02   0.02) =   0.024%
          HN    MET   92 - QG1   VAL   18  12.38 +/- 1.48   0.031% *  5.2344% (0.90   0.02   0.02) =   0.002%
          HN    ASP- 113 - QG1   VAL   18  16.35 +/- 0.40   0.005% *  1.6228% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2320 (8.92, 0.86, 22.91 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.84, residual support = 22.4:
          HN    ILE   19 - QG1   VAL   18   2.54 +/- 0.25  74.876% * 99.8047% (0.84   4.84  22.37) =  99.967%  kept
          HN    LEU   73 - QG1   VAL   18   3.21 +/- 0.78  24.739% *  0.0976% (0.20   0.02   0.02) =   0.032%
          HN    VAL   42 - QG1   VAL   18   6.17 +/- 0.83   0.385% *  0.0976% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2321 (7.28, 0.75, 22.78 ppm):
    15 chemical-shift based assignments, quality = 0.801, support = 0.75, residual support = 1.5:
          QD    PHE   60 - QG2   VAL   18   2.85 +/- 0.44  98.931% * 85.7560% (0.80   0.75   1.50) =  99.978%  kept
          HN    LYS+  66 - QG2   VAL   18   7.48 +/- 0.46   0.391% *  2.7994% (0.98   0.02   0.02) =   0.013%
          QE    PHE   59 - QG2   VAL   18   8.67 +/- 0.95   0.189% *  1.6169% (0.57   0.02   0.02) =   0.004%
          QD    PHE   60 - QG1   VAL   41   9.48 +/- 0.31   0.096% *  1.7477% (0.61   0.02   0.02) =   0.002%
          HN    PHE   59 - QG2   VAL   18   8.24 +/- 0.47   0.232% *  0.6358% (0.22   0.02   0.02) =   0.002%
          QE    PHE   59 - QG1   VAL   41  10.98 +/- 0.70   0.042% *  1.2357% (0.43   0.02   0.02) =   0.001%
          HN    LYS+  66 - QG1   VAL   41  12.77 +/- 0.21   0.016% *  2.1393% (0.75   0.02   0.02) =   0.000%
          QE    PHE   59 - QD2   LEU  104  10.38 +/- 0.29   0.054% *  0.2485% (0.09   0.02   0.02) =   0.000%
          QD    PHE   60 - QD2   LEU  104  11.88 +/- 0.25   0.024% *  0.3514% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG2   VAL   18  15.33 +/- 0.48   0.005% *  1.2804% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD2   LEU  104  14.06 +/- 0.38   0.009% *  0.4302% (0.15   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG1   VAL   41  16.99 +/- 0.53   0.003% *  0.9785% (0.34   0.02   0.02) =   0.000%
          HN    PHE   59 - QG1   VAL   41  15.61 +/- 0.39   0.005% *  0.4859% (0.17   0.02   0.02) =   0.000%
          HN    PHE   59 - QD2   LEU  104  16.55 +/- 0.23   0.003% *  0.0977% (0.03   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD2   LEU  104  22.84 +/- 0.60   0.000% *  0.1967% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2322 (8.28, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.607, support = 5.26, residual support = 78.2:
          HN    VAL   18 - QG2   VAL   18   1.98 +/- 0.45  99.917% * 98.1438% (0.61   5.26  78.25) = 100.000%  kept
          HN    GLN   30 - QG1   VAL   41   8.17 +/- 0.30   0.049% *  0.1171% (0.19   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG1   VAL   41   9.95 +/- 0.32   0.015% *  0.3411% (0.55   0.02   0.02) =   0.000%
          HN    VAL   18 - QG1   VAL   41  11.80 +/- 0.32   0.006% *  0.2849% (0.46   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG2   VAL   18  13.55 +/- 0.33   0.003% *  0.4464% (0.73   0.02   0.02) =   0.000%
          HN    GLN   30 - QG2   VAL   18  11.73 +/- 0.33   0.006% *  0.1533% (0.25   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG1   VAL   41  16.82 +/- 0.46   0.001% *  0.1450% (0.24   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG2   VAL   18  18.15 +/- 0.49   0.000% *  0.1897% (0.31   0.02   0.02) =   0.000%
          HN    VAL   18 - QD2   LEU  104  16.43 +/- 0.41   0.001% *  0.0573% (0.09   0.02   0.02) =   0.000%
          HN    GLU-  29 - QD2   LEU  104  17.40 +/- 0.60   0.001% *  0.0686% (0.11   0.02   0.02) =   0.000%
          HN    GLN   30 - QD2   LEU  104  15.75 +/- 0.55   0.001% *  0.0236% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  86 - QD2   LEU  104  21.26 +/- 0.51   0.000% *  0.0292% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2324 (8.99, 0.76, 22.78 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 4.52, residual support = 70.8:
          HN    VAL   41 - QG1   VAL   41   2.02 +/- 0.15  99.800% * 98.4856% (0.14   4.52  70.85) = 100.000%  kept
          HN    VAL   41 - QD2   LEU  104   6.15 +/- 0.32   0.155% *  0.0234% (0.01   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG1   VAL   41  10.91 +/- 0.49   0.005% *  0.6370% (0.20   0.02   0.02) =   0.000%
          HN    VAL   41 - QG2   VAL   18  11.20 +/- 0.65   0.004% *  0.3329% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QD2   LEU  104   7.70 +/- 0.04   0.035% *  0.0342% (0.01   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG2   VAL   18  14.47 +/- 0.73   0.001% *  0.4868% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 5.37, residual support = 87.3:
          HN    VAL   83 - QG1   VAL   83   2.32 +/- 0.22  99.953% * 98.5435% (0.36   5.37  87.28) = 100.000%  kept
          HE22  GLN   30 - QG1   VAL   83   8.86 +/- 0.65   0.041% *  0.1767% (0.17   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   83  13.34 +/- 0.83   0.004% *  0.5054% (0.49   0.02   0.02) =   0.000%
          HN    CYS   50 - QG1   VAL   83  14.24 +/- 0.84   0.002% *  0.7744% (0.75   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2326 (1.09, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.456, support = 0.539, residual support = 0.211:
          QG2   VAL   24 - QG1   VAL   83   4.24 +/- 0.82  20.732% * 87.9534% (0.46   0.61   0.21) =  88.778%  kept
          QG1   VAL   24 - QG1   VAL   83   2.93 +/- 0.75  79.257% *  2.9074% (0.46   0.02   0.21) =  11.219%  kept
        T QG1   VAL  107 - QG1   VAL   83  13.50 +/- 0.65   0.010% *  4.7934% (0.75   0.02   0.02) =   0.002%
        T HG    LEU   63 - QG1   VAL   83  18.13 +/- 0.69   0.002% *  2.0740% (0.33   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG1   VAL   83  22.12 +/- 1.05   0.001% *  2.2718% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.02 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 2327 (10.23, 0.60, 22.78 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2328 (2.36, 4.18, 60.49 ppm):
    6 chemical-shift based assignments, quality = 0.52, support = 0.0195, residual support = 0.0195:
          QG    GLU-  79 - HA    ILE   19  11.01 +/- 0.42  77.168% *  4.2582% (0.15   0.02   0.02) =  44.684%  kept
          HB3   PHE   97 - HA    ILE   19  16.45 +/- 0.37   7.007% * 25.4758% (0.92   0.02   0.02) =  24.275%  kept
          HB2   PRO   58 - HA    ILE   19  16.90 +/- 0.62   6.124% * 25.4758% (0.92   0.02   0.02) =  21.216%  kept
        T HG3   GLU-  25 - HA    ILE   19  16.28 +/- 0.30   7.490% *  3.7349% (0.14   0.02   0.02) =   3.804%  kept
          HB2   GLU- 100 - HA    ILE   19  21.40 +/- 0.41   1.455% * 18.9570% (0.69   0.02   0.02) =   3.752%  kept
          HB2   GLN  116 - HA    ILE   19  23.88 +/- 0.56   0.755% * 22.0984% (0.80   0.02   0.02) =   2.268%
    Distance limit 3.84 A violated in 20 structures by 6.71 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 = 25.4:
      O   HN    ALA   20 - HA    ILE   19   2.21 +/- 0.01  99.998% * 99.7480% (0.73   5.05  25.43) = 100.000%  kept
          HN    PHE   45 - HA    ILE   19  13.12 +/- 0.22   0.002% *  0.1680% (0.31   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ILE   19  20.71 +/- 0.71   0.000% *  0.0840% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.66 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 = 6.6, residual support = 170.4:
      O   HN    ILE   19 - HA    ILE   19   2.87 +/- 0.01  99.386% * 99.6263% (0.98   6.60 170.43) =  99.999%  kept
          HN    LEU   73 - HA    ILE   19   6.85 +/- 0.18   0.549% *  0.1868% (0.61   0.02   5.23) =   0.001%
          HN    VAL   42 - HA    ILE   19   9.76 +/- 0.28   0.066% *  0.1868% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2332 (5.57, 2.00, 37.78 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 2.0, residual support = 5.23:
          HA    LEU   73 - HB    ILE   19   2.89 +/- 0.14 100.000% *100.0000% (0.95   2.00   5.23) = 100.000%  kept
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2333 (8.94, 2.00, 37.78 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.81, residual support = 170.4:
      O   HN    ILE   19 - HB    ILE   19   2.10 +/- 0.06  99.414% * 98.8395% (0.65   5.81 170.43) =  99.997%  kept
          HN    LEU   73 - HB    ILE   19   5.04 +/- 0.15   0.532% *  0.5072% (0.97   0.02   5.23) =   0.003%
          HN    VAL   42 - HB    ILE   19   7.40 +/- 0.28   0.053% *  0.5072% (0.97   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    ILE   19  18.66 +/- 0.29   0.000% *  0.1461% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 170.4:
      O   HG13  ILE   19 - QG2   ILE   19   3.05 +/- 0.10  97.279% * 93.0198% (0.28   4.89 170.43) =  99.973%  kept
          QB    ALA   34 - QG2   ILE   19   6.49 +/- 0.40   1.179% *  1.3550% (0.99   0.02   0.02) =   0.018%
          QG2   THR   23 - QG2   ILE   19   7.66 +/- 0.23   0.398% *  1.0448% (0.76   0.02   0.02) =   0.005%
          HG2   LYS+  74 - QG2   ILE   19   6.81 +/- 0.33   0.867% *  0.1850% (0.14   0.02   8.15) =   0.002%
          QG2   THR   39 - QG2   ILE   19   8.91 +/- 0.79   0.181% *  0.8292% (0.61   0.02   0.02) =   0.002%
          QG2   ILE   56 - QG2   ILE   19  10.89 +/- 0.53   0.051% *  1.3401% (0.98   0.02   0.02) =   0.001%
          HG3   LYS+  38 - QG2   ILE   19  14.20 +/- 1.33   0.019% *  1.1859% (0.87   0.02   0.02) =   0.000%
          QB    ALA   91 - QG2   ILE   19  13.54 +/- 0.45   0.014% *  0.8292% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QG2   ILE   19  13.85 +/- 1.23   0.013% *  0.2109% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 5.43, residual support = 170.3:
      O   HG12  ILE   19 - QG2   ILE   19   2.90 +/- 0.13  80.868% * 97.3325% (0.95   5.43 170.43) =  99.954%  kept
          HG    LEU   73 - QG2   ILE   19   4.15 +/- 0.81  15.265% *  0.1994% (0.53   0.02   5.23) =   0.039%
          HB3   LYS+  74 - QG2   ILE   19   4.92 +/- 0.22   3.579% *  0.1422% (0.38   0.02   8.15) =   0.006%
          HG    LEU   80 - QG2   ILE   19   9.28 +/- 0.82   0.098% *  0.3756% (0.99   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   ILE   19   9.94 +/- 0.36   0.055% *  0.3714% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   ILE   19   9.84 +/- 0.17   0.056% *  0.2145% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - QG2   ILE   19  11.20 +/- 0.57   0.026% *  0.3398% (0.90   0.02   0.02) =   0.000%
          QB    ALA  110 - QG2   ILE   19  14.01 +/- 0.44   0.007% *  0.3714% (0.98   0.02   0.02) =   0.000%
        T QB    LEU   98 - QG2   ILE   19  10.61 +/- 0.63   0.036% *  0.0664% (0.18   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   ILE   19  13.73 +/- 0.41   0.008% *  0.2752% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   ILE   19  17.28 +/- 0.72   0.002% *  0.1558% (0.41   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   ILE   19  18.46 +/- 0.86   0.001% *  0.1558% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2336 (2.01, 0.69, 58.05 ppm):
    9 chemical-shift based assignments, quality = 0.784, support = 4.81, residual support = 165.8:
      O   HB    ILE   19 - QG2   ILE   19   2.13 +/- 0.00  80.793% * 86.3671% (0.80   4.89 170.43) =  97.062%  kept
          HG3   GLN   30 - QG2   ILE   19   3.07 +/- 0.75  19.123% * 11.0440% (0.22   2.25  13.61) =   2.938%  kept
          HB2   GLN   17 - QG2   ILE   19   7.37 +/- 0.26   0.048% *  0.4070% (0.92   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE   19   8.50 +/- 0.54   0.022% *  0.4070% (0.92   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE   19   9.62 +/- 0.43   0.010% *  0.4400% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   ILE   19  12.57 +/- 1.01   0.002% *  0.2496% (0.57   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG2   ILE   19  13.76 +/- 0.31   0.001% *  0.3202% (0.73   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG2   ILE   19  17.76 +/- 0.77   0.000% *  0.3825% (0.87   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE   19  19.89 +/- 0.67   0.000% *  0.3825% (0.87   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2337 (2.75, 0.69, 58.05 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 2.13, residual support = 13.6:
          HG2   GLN   30 - QG2   ILE   19   3.52 +/- 0.28  99.595% * 96.5713% (0.65   2.13  13.61) =  99.998%  kept
          HB3   ASN   28 - QG2   ILE   19   9.26 +/- 0.29   0.339% *  0.5750% (0.41   0.02   0.02) =   0.002%
          HB3   HIS  122 - QG2   ILE   19  15.37 +/- 0.59   0.017% *  1.2132% (0.87   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QG2   ILE   19  17.55 +/- 0.78   0.008% *  1.3955% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QG2   ILE   19  13.11 +/- 0.38   0.041% *  0.2449% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2338 (4.18, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.75, residual support = 170.4:
      O   HA    ILE   19 - QG2   ILE   19   2.83 +/- 0.14  99.914% * 99.1427% (0.92   5.75 170.43) = 100.000%  kept
          HA    GLU-  25 - QG2   ILE   19   9.47 +/- 0.22   0.073% *  0.3738% (1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   ILE   19  14.33 +/- 0.65   0.007% *  0.2568% (0.69   0.02   0.02) =   0.000%
          HA    SER   82 - QG2   ILE   19  14.36 +/- 0.24   0.006% *  0.2267% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2339 (8.73, 0.69, 58.05 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.68, residual support = 25.4:
          HN    ALA   20 - QG2   ILE   19   2.92 +/- 0.16  99.933% * 97.9095% (0.31   3.68  25.43) =  99.999%  kept
          HN    PHE   45 - QG2   ILE   19  10.21 +/- 0.51   0.064% *  1.2515% (0.73   0.02   0.02) =   0.001%
          HN    ALA  110 - QG2   ILE   19  17.24 +/- 0.70   0.003% *  0.8389% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2340 (8.94, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.71, residual support = 170.3:
          HN    ILE   19 - QG2   ILE   19   3.32 +/- 0.21  91.538% * 98.8198% (0.65   5.72 170.43) =  99.952%  kept
          HN    LEU   73 - QG2   ILE   19   5.04 +/- 0.49   7.703% *  0.5158% (0.97   0.02   5.23) =   0.044%
          HN    VAL   42 - QG2   ILE   19   7.41 +/- 0.44   0.752% *  0.5158% (0.97   0.02   0.02) =   0.004%
          HN    LYS+ 106 - QG2   ILE   19  16.38 +/- 0.48   0.006% *  0.1486% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2341 (0.93, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.355, support = 0.0194, residual support = 0.0194:
          QD2   LEU   67 - HG13  ILE   19  11.78 +/- 1.84   6.634% * 39.2581% (0.69   0.02   0.02) =  32.076%  kept
          QD1   LEU   40 - HG13  ILE   19  11.05 +/- 0.79   8.861% * 23.4959% (0.41   0.02   0.02) =  25.642%  kept
          QD1   LEU   40 - HG    LEU   71   8.02 +/- 0.65  57.244% *  3.3680% (0.06   0.02   0.02) =  23.745%  kept
          QD2   LEU   67 - HG    LEU   71   9.76 +/- 1.71  22.151% *  5.6275% (0.10   0.02   0.02) =  15.352%  kept
          QG2   ILE  119 - HG13  ILE   19  16.51 +/- 0.88   0.782% * 15.8904% (0.28   0.02   0.02) =   1.530%
          QD1   ILE  103 - HG13  ILE   19  16.19 +/- 0.76   0.914% *  8.8183% (0.15   0.02   0.02) =   0.992%
          QD1   ILE  103 - HG    LEU   71  13.85 +/- 0.56   2.366% *  1.2641% (0.02   0.02   0.02) =   0.368%
          QG2   ILE  119 - HG    LEU   71  15.62 +/- 0.90   1.048% *  2.2778% (0.04   0.02   0.02) =   0.294%
    Distance limit 3.07 A violated in 20 structures by 4.17 A, eliminated.
    Peak unassigned.
 
    Peak 2342 (8.94, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 5.82, residual support = 170.4:
          HN    ILE   19 - HG13  ILE   19   3.53 +/- 0.27  88.388% * 98.6281% (0.65   5.82 170.43) =  99.984%  kept
          HN    LEU   73 - HG13  ILE   19   7.20 +/- 0.43   1.291% *  0.5058% (0.97   0.02   5.23) =   0.007%
          HN    ILE   19 - HG    LEU   71   6.43 +/- 1.21   5.789% *  0.0486% (0.09   0.02   0.02) =   0.003%
          HN    VAL   42 - HG    LEU   71   6.63 +/- 0.42   2.344% *  0.0725% (0.14   0.02   2.45) =   0.002%
          HN    VAL   42 - HG13  ILE   19   9.19 +/- 0.83   0.314% *  0.5058% (0.97   0.02   0.02) =   0.002%
          HN    LEU   73 - HG    LEU   71   7.30 +/- 1.03   1.867% *  0.0725% (0.14   0.02   0.02) =   0.002%
          HN    LYS+ 106 - HG13  ILE   19  20.68 +/- 0.74   0.002% *  0.1457% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   71  18.37 +/- 0.34   0.005% *  0.0209% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2343 (6.66, 0.69, 58.05 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 2.13, residual support = 13.6:
          HE22  GLN   30 - QG2   ILE   19   2.54 +/- 0.29  99.935% * 97.3475% (0.41   2.13  13.61) = 100.000%  kept
          QE    PHE   45 - QG2   ILE   19   9.04 +/- 0.50   0.060% *  0.4390% (0.20   0.02   0.02) =   0.000%
          HD22  ASN   69 - QG2   ILE   19  13.39 +/- 0.68   0.006% *  2.2135% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2344 (7.18, 0.69, 58.05 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 1.5, residual support = 13.6:
          HE21  GLN   30 - QG2   ILE   19   2.64 +/- 0.58  99.713% * 96.5700% (1.00   1.50  13.61) =  99.997%  kept
          HD1   TRP   27 - QG2   ILE   19   7.91 +/- 0.31   0.268% *  1.1194% (0.87   0.02   0.02) =   0.003%
          QD    PHE   59 - QG2   ILE   19  12.47 +/- 0.54   0.018% *  1.1194% (0.87   0.02   0.02) =   0.000%
          HH2   TRP   49 - QG2   ILE   19  17.77 +/- 0.56   0.002% *  1.1912% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2345 (6.61, 0.74, 12.33 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 2.07, residual support = 13.6:
          HE22  GLN   30 - QD1   ILE   19   4.12 +/- 0.14  99.877% * 93.5311% (0.25   2.07  13.61) =  99.998%  kept
          HN    VAL   83 - QD1   ILE   19  13.74 +/- 0.53   0.076% *  1.2336% (0.34   0.02   0.02) =   0.001%
          HN    CYS   50 - QD1   ILE   19  16.78 +/- 0.81   0.024% *  2.8958% (0.80   0.02   0.02) =   0.001%
          HN    TRP   49 - QD1   ILE   19  16.82 +/- 0.92   0.023% *  2.3395% (0.65   0.02   0.02) =   0.001%
    Distance limit 4.20 A violated in 0 structures by 0.01 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  18.31 +/- 0.24 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 4.00 A violated in 20 structures by 14.31 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 = 25.4:
          HA    ILE   19 - QB    ALA   20   3.84 +/- 0.01  99.732% * 98.7243% (0.92   3.85  25.43) =  99.999%  kept
          HA    GLU-  25 - QB    ALA   20  11.81 +/- 0.14   0.118% *  0.5563% (1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QB    ALA   20  11.97 +/- 0.67   0.115% *  0.3821% (0.69   0.02   0.02) =   0.000%
          HA    SER   82 - QB    ALA   20  14.46 +/- 0.20   0.035% *  0.3374% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2348 (2.80, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.848, support = 0.0194, residual support = 7.34:
          QE    LYS+  74 - QB    ALA   20   5.40 +/- 0.71  85.006% * 25.4326% (0.90   0.02   8.15) =  90.115%  kept
          HB2   PHE   72 - QB    ALA   20   7.87 +/- 0.22  10.387% * 16.0552% (0.57   0.02   0.02) =   6.951%  kept
          QB    CYS   50 - QB    ALA   20  10.20 +/- 0.77   2.091% * 26.1780% (0.92   0.02   0.02) =   2.282%
          HB3   ASP-  78 - QB    ALA   20  10.03 +/- 0.59   2.376% *  4.9664% (0.18   0.02   0.02) =   0.492%
          HB3   ASN   69 - QB    ALA   20  16.19 +/- 0.34   0.141% * 27.3678% (0.97   0.02   0.02) =   0.160%
    Distance limit 3.68 A violated in 20 structures by 1.61 A, eliminated.
    Peak unassigned.
 
    Peak 2349 (7.35, 1.14, 19.25 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 2.16, residual support = 5.34:
          HD2   HIS   22 - QB    ALA   20   3.18 +/- 0.36  97.826% * 96.5366% (0.92   2.16   5.34) =  99.988%  kept
          HN    THR   23 - QB    ALA   20   6.30 +/- 0.09   2.000% *  0.5088% (0.53   0.02   0.02) =   0.011%
          QE    PHE   95 - QB    ALA   20  10.31 +/- 0.62   0.105% *  0.4707% (0.49   0.02   0.02) =   0.001%
          HD1   TRP   49 - QB    ALA   20  12.77 +/- 1.26   0.029% *  0.9585% (0.99   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    ALA   20  13.26 +/- 0.35   0.023% *  0.8673% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   20  17.16 +/- 0.67   0.005% *  0.5088% (0.53   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   20  14.86 +/- 0.63   0.012% *  0.1492% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2350 (7.93, 1.14, 19.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.79, residual support = 14.4:
          HN    CYS   21 - QB    ALA   20   3.53 +/- 0.02  99.915% * 99.1069% (0.95   3.79  14.45) = 100.000%  kept
          HN    LYS+  33 - QB    ALA   20  12.54 +/- 0.23   0.050% *  0.3351% (0.61   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    ALA   20  15.05 +/- 0.30   0.017% *  0.1705% (0.31   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    ALA   20  18.24 +/- 0.47   0.005% *  0.2907% (0.53   0.02   0.02) =   0.000%
          HN    SER   37 - QB    ALA   20  15.96 +/- 0.29   0.012% *  0.0968% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2351 (8.73, 1.14, 19.25 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.73, residual support = 15.2:
      O   HN    ALA   20 - QB    ALA   20   2.08 +/- 0.05  99.993% * 97.9390% (0.31   3.73  15.23) = 100.000%  kept
          HN    PHE   45 - QB    ALA   20  10.36 +/- 0.30   0.007% *  1.2339% (0.73   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   20  16.18 +/- 0.58   0.000% *  0.8271% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 0.456, support = 0.0175, residual support = 0.0175:
          HB    VAL   41 - HB2   CYS   21  10.34 +/- 0.48  31.254% *  9.0526% (0.65   0.02   0.02) =  45.653%  kept
          QB    LYS+  33 - HB2   CYS   21   9.99 +/- 0.34  38.249% *  4.7734% (0.34   0.02   0.02) =  29.460%  kept
          QB    LYS+  81 - HB2   CYS   21  12.01 +/- 0.52  13.317% *  3.1155% (0.22   0.02   0.02) =   6.695%  kept
          HG12  ILE  103 - HB2   CYS   21  15.21 +/- 0.62   3.107% * 11.2053% (0.80   0.02   0.02) =   5.618%  kept
          HB3   PRO   52 - HB2   CYS   21  18.89 +/- 0.92   0.872% * 13.7167% (0.98   0.02   0.02) =   1.930%
          HG2   ARG+  54 - HB2   CYS   21  17.31 +/- 1.12   1.539% *  6.8115% (0.49   0.02   0.02) =   1.691%
          QB    LYS+  66 - HB2   CYS   21  16.99 +/- 0.51   1.586% *  6.2738% (0.45   0.02   0.02) =   1.606%
          QB    LYS+ 106 - HB2   CYS   21  15.04 +/- 0.46   3.334% *  2.7693% (0.20   0.02   0.02) =   1.490%
          HB    ILE  103 - HB2   CYS   21  17.76 +/- 0.44   1.213% *  7.3624% (0.53   0.02   0.02) =   1.440%
          HB3   ASP- 105 - HB2   CYS   21  17.93 +/- 0.51   1.148% *  6.2738% (0.45   0.02   0.02) =   1.162%
          HB3   GLN   90 - HB2   CYS   21  16.93 +/- 0.46   1.638% *  3.8908% (0.28   0.02   0.02) =   1.028%
          HG2   PRO   93 - HB2   CYS   21  16.57 +/- 0.76   1.924% *  3.1155% (0.22   0.02   0.02) =   0.967%
          HG3   PRO   68 - HB2   CYS   21  20.02 +/- 0.53   0.591% *  7.9226% (0.57   0.02   0.02) =   0.756%
          HG    LEU  123 - HB2   CYS   21  23.53 +/- 0.71   0.228% * 13.7167% (0.98   0.02   0.02) =   0.505%
    Distance limit 3.83 A violated in 20 structures by 4.88 A, eliminated.
    Peak unassigned.
 
    Peak 2353 (0.57, 3.08, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.798, support = 1.36, residual support = 5.18:
          QD1   LEU   73 - HB2   CYS   21   3.83 +/- 0.14  66.473% * 93.7831% (0.80   1.37   5.20) =  99.669%  kept
          QD2   LEU   80 - HB2   CYS   21   4.63 +/- 0.39  22.962% *  0.7048% (0.41   0.02   0.02) =   0.259%
          QD1   LEU   80 - HB2   CYS   21   6.57 +/- 1.32   8.689% *  0.3817% (0.22   0.02   0.02) =   0.053%
          QG2   VAL   41 - HB2   CYS   21   7.25 +/- 0.28   1.487% *  0.6434% (0.38   0.02   0.02) =   0.015%
          QD2   LEU   98 - HB2   CYS   21   9.66 +/- 0.59   0.270% *  0.3817% (0.22   0.02   0.02) =   0.002%
          QD1   LEU   63 - HB2   CYS   21  12.34 +/- 0.64   0.065% *  1.3727% (0.80   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB2   CYS   21  14.13 +/- 0.64   0.028% *  1.5825% (0.92   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB2   CYS   21  16.42 +/- 0.68   0.011% *  0.7686% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   CYS   21  15.47 +/- 0.44   0.016% *  0.3817% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 1 structures by 0.09 A, kept.
 
    Peak 2354 (4.60, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 2.83, residual support = 29.6:
      O T HA    CYS   21 - HB2   CYS   21   2.90 +/- 0.08  99.991% * 97.8178% (0.92   2.83  29.58) = 100.000%  kept
          HA    TRP   49 - HB2   CYS   21  17.33 +/- 0.52   0.002% *  0.5717% (0.76   0.02   0.02) =   0.000%
          HA    CYS   50 - HB2   CYS   21  16.78 +/- 1.10   0.003% *  0.4235% (0.57   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   CYS   21  18.46 +/- 0.61   0.002% *  0.7333% (0.98   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB2   CYS   21  17.05 +/- 0.49   0.003% *  0.4537% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.834, support = 3.31, residual support = 6.74:
          HD2   HIS   22 - HB2   CYS   21   4.76 +/- 0.39  54.590% * 73.1076% (0.92   3.62   7.70) =  77.609%  kept
          HN    THR   23 - HB2   CYS   21   4.88 +/- 0.35  45.050% * 25.5570% (0.53   2.22   3.41) =  22.389%  kept
          QE    PHE   95 - HB2   CYS   21  11.94 +/- 0.78   0.226% *  0.2128% (0.49   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB2   CYS   21  16.14 +/- 1.30   0.038% *  0.4332% (0.99   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   CYS   21  15.20 +/- 0.85   0.052% *  0.2300% (0.53   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   CYS   21  16.60 +/- 0.54   0.029% *  0.3920% (0.90   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   CYS   21  18.84 +/- 0.69   0.014% *  0.0674% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2356 (7.93, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.42, residual support = 29.6:
      O   HN    CYS   21 - HB2   CYS   21   2.40 +/- 0.30  99.980% * 99.0108% (0.95   3.42  29.58) = 100.000%  kept
          HN    LYS+  33 - HB2   CYS   21  10.93 +/- 0.25   0.014% *  0.3712% (0.61   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   CYS   21  14.31 +/- 0.62   0.004% *  0.1889% (0.31   0.02   0.02) =   0.000%
          HN    SER   37 - HB2   CYS   21  15.41 +/- 0.18   0.002% *  0.1072% (0.18   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   CYS   21  20.98 +/- 0.54   0.000% *  0.3220% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2358 (1.84, 2.60, 28.30 ppm):
    14 chemical-shift based assignments, quality = 0.3, support = 0.0184, residual support = 0.0184:
          QB    LYS+  33 - HB3   CYS   21   9.29 +/- 0.35  53.123% *  4.7734% (0.23   0.02   0.02) =  43.905%  kept
          HB    VAL   41 - HB3   CYS   21  10.67 +/- 0.48  23.446% *  9.0526% (0.44   0.02   0.02) =  36.749%  kept
          QB    LYS+  81 - HB3   CYS   21  11.84 +/- 0.42  12.752% *  3.1155% (0.15   0.02   0.02) =   6.879%  kept
          HG12  ILE  103 - HB3   CYS   21  15.86 +/- 0.60   2.180% * 11.2053% (0.55   0.02   0.02) =   4.230%  kept
          HB3   PRO   52 - HB3   CYS   21  20.53 +/- 0.92   0.477% * 13.7167% (0.67   0.02   0.02) =   1.132%
          HB    ILE  103 - HB3   CYS   21  18.43 +/- 0.50   0.877% *  7.3624% (0.36   0.02   0.02) =   1.118%
          QB    LYS+  66 - HB3   CYS   21  18.02 +/- 0.32   0.999% *  6.2738% (0.31   0.02   0.02) =   1.085%
          HG2   ARG+  54 - HB3   CYS   21  18.83 +/- 1.12   0.827% *  6.8115% (0.33   0.02   0.02) =   0.975%
          QB    LYS+ 106 - HB3   CYS   21  16.12 +/- 0.50   1.988% *  2.7693% (0.14   0.02   0.02) =   0.953%
          HB3   ASP- 105 - HB3   CYS   21  19.07 +/- 0.44   0.716% *  6.2738% (0.31   0.02   0.02) =   0.778%
          HB3   GLN   90 - HB3   CYS   21  17.95 +/- 0.53   1.039% *  3.8908% (0.19   0.02   0.02) =   0.700%
          HG3   PRO   68 - HB3   CYS   21  20.64 +/- 0.43   0.444% *  7.9226% (0.39   0.02   0.02) =   0.609%
          HG2   PRO   93 - HB3   CYS   21  18.18 +/- 0.74   0.980% *  3.1155% (0.15   0.02   0.02) =   0.529%
          HG    LEU  123 - HB3   CYS   21  24.78 +/- 0.69   0.151% * 13.7167% (0.67   0.02   0.02) =   0.358%
    Distance limit 3.90 A violated in 20 structures by 4.57 A, eliminated.
    Peak unassigned.
 
    Peak 2359 (1.49, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.596, support = 2.0, residual support = 2.73:
          QG2   THR   26 - HB3   CYS   21   3.24 +/- 0.32  99.278% * 95.4718% (0.60   2.00   2.73) =  99.992%  kept
          HB2   LYS+  74 - HB3   CYS   21   7.66 +/- 0.34   0.705% *  1.0982% (0.69   0.02  10.03) =   0.008%
          HB3   LEU   40 - HB3   CYS   21  16.46 +/- 0.49   0.007% *  0.6231% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   CYS   21  17.76 +/- 0.73   0.004% *  0.8813% (0.55   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB3   CYS   21  19.84 +/- 0.83   0.002% *  0.3754% (0.23   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   CYS   21  23.91 +/- 0.94   0.001% *  0.7992% (0.50   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   CYS   21  21.68 +/- 1.15   0.001% *  0.3754% (0.23   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   CYS   21  22.33 +/- 0.33   0.001% *  0.3754% (0.23   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2360 (0.57, 2.60, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.547, support = 1.36, residual support = 5.17:
          QD1   LEU   73 - HB3   CYS   21   3.93 +/- 0.08  56.168% * 93.7830% (0.55   1.37   5.20) =  99.480%  kept
          QD2   LEU   80 - HB3   CYS   21   4.31 +/- 0.27  32.277% *  0.7048% (0.28   0.02   0.02) =   0.430%
          QD1   LEU   80 - HB3   CYS   21   6.16 +/- 1.18  10.118% *  0.3817% (0.15   0.02   0.02) =   0.073%
          QG2   VAL   41 - HB3   CYS   21   7.55 +/- 0.23   1.152% *  0.6434% (0.26   0.02   0.02) =   0.014%
          QD2   LEU   98 - HB3   CYS   21   9.99 +/- 0.54   0.214% *  0.3817% (0.15   0.02   0.02) =   0.002%
          QD1   LEU   63 - HB3   CYS   21  13.53 +/- 0.57   0.035% *  1.3727% (0.55   0.02   0.02) =   0.001%
          QD2   LEU   63 - HB3   CYS   21  15.22 +/- 0.58   0.017% *  1.5825% (0.63   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB3   CYS   21  17.75 +/- 0.65   0.007% *  0.7686% (0.31   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   CYS   21  16.05 +/- 0.42   0.012% *  0.3817% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2361 (7.93, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.65, support = 3.35, residual support = 29.6:
      O   HN    CYS   21 - HB3   CYS   21   3.51 +/- 0.13  99.773% * 98.9906% (0.65   3.35  29.58) =  99.999%  kept
          HN    LYS+  33 - HB3   CYS   21  10.02 +/- 0.25   0.190% *  0.3787% (0.42   0.02   0.02) =   0.001%
          HN    ILE   89 - HB3   CYS   21  14.90 +/- 0.57   0.018% *  0.1927% (0.21   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   CYS   21  14.88 +/- 0.18   0.018% *  0.1094% (0.12   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   CYS   21  22.45 +/- 0.47   0.001% *  0.3285% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2362 (7.74, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.525, support = 0.749, residual support = 1.5:
          HN    TRP   27 - HB3   CYS   21   3.88 +/- 0.10  99.799% * 88.5587% (0.52   0.75   1.50) =  99.995%  kept
          HD1   TRP   87 - HB3   CYS   21  13.16 +/- 0.70   0.070% *  2.8560% (0.63   0.02   0.02) =   0.002%
          HN    GLU-  36 - HB3   CYS   21  14.05 +/- 0.19   0.045% *  1.7516% (0.39   0.02   0.02) =   0.001%
          HN    THR   39 - HB3   CYS   21  15.94 +/- 0.31   0.021% *  2.9267% (0.65   0.02   0.02) =   0.001%
          HN    ALA   61 - HB3   CYS   21  15.68 +/- 0.43   0.024% *  1.0553% (0.23   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   CYS   21  16.43 +/- 0.60   0.018% *  1.2719% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   CYS   21  18.00 +/- 0.96   0.011% *  1.1612% (0.26   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   CYS   21  17.62 +/- 0.82   0.012% *  0.4187% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2363 (7.35, 2.60, 28.30 ppm):
    7 chemical-shift based assignments, quality = 0.478, support = 2.82, residual support = 5.25:
          HN    THR   23 - HB3   CYS   21   3.88 +/- 0.25  83.730% * 20.1692% (0.36   1.85   3.41) =  57.090%  kept
          HD2   HIS   22 - HB3   CYS   21   5.20 +/- 0.30  16.156% * 78.5648% (0.63   4.11   7.70) =  42.909%  kept
          QE    PHE   95 - HB3   CYS   21  13.45 +/- 0.69   0.052% *  0.2017% (0.33   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   CYS   21  14.51 +/- 0.86   0.035% *  0.2180% (0.36   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   CYS   21  17.24 +/- 1.50   0.013% *  0.4107% (0.68   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   CYS   21  17.59 +/- 0.32   0.010% *  0.3716% (0.62   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   CYS   21  20.35 +/- 0.64   0.004% *  0.0639% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2364 (4.60, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.634, support = 2.61, residual support = 29.6:
      O T HA    CYS   21 - HB3   CYS   21   2.28 +/- 0.08  99.999% * 97.6346% (0.63   2.61  29.58) = 100.000%  kept
          HA    LYS+ 102 - HB3   CYS   21  18.80 +/- 0.66   0.000% *  0.7948% (0.67   0.02   0.02) =   0.000%
          HA    TRP   49 - HB3   CYS   21  18.56 +/- 0.59   0.000% *  0.6197% (0.52   0.02   0.02) =   0.000%
          HA    CYS   50 - HB3   CYS   21  18.22 +/- 1.09   0.000% *  0.4591% (0.39   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB3   CYS   21  18.59 +/- 0.53   0.000% *  0.4918% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.617, support = 3.5, residual support = 29.6:
      O   HD2   HIS   22 - HB2   HIS   22   3.82 +/- 0.08  63.930% * 46.8586% (0.74   2.57  33.24) =  61.577%  kept
          HN    THR   23 - HB2   HIS   22   4.24 +/- 0.37  35.993% * 51.9323% (0.42   4.99  23.76) =  38.422%  kept
          HD1   TRP   49 - HB2   HIS   22  13.48 +/- 2.46   0.058% *  0.3923% (0.79   0.02   0.02) =   0.000%
          QE    PHE   95 - HB2   HIS   22  16.18 +/- 0.51   0.011% *  0.1926% (0.39   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   HIS   22  22.17 +/- 0.43   0.002% *  0.3549% (0.72   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   HIS   22  21.11 +/- 0.88   0.002% *  0.2082% (0.42   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   HIS   22  20.68 +/- 0.72   0.003% *  0.0611% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 0.787, support = 3.68, residual support = 31.3:
      O   HD2   HIS   22 - HB3   HIS   22   3.59 +/- 0.22  55.540% * 74.5349% (0.95   3.18  33.24) =  79.328%  kept
          HN    THR   23 - HB3   HIS   22   3.74 +/- 0.28  44.434% * 24.2774% (0.18   5.60  23.76) =  20.672%  kept
          HD1   TRP   49 - HB3   HIS   22  14.58 +/- 2.03   0.016% *  0.4134% (0.84   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   HIS   22  20.42 +/- 0.98   0.002% *  0.4569% (0.92   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   HIS   22  16.29 +/- 0.58   0.007% *  0.0764% (0.15   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   HIS   22  21.68 +/- 0.40   0.001% *  0.2409% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 3.33, residual support = 23.8:
          QG2   THR   23 - HB3   HIS   22   3.49 +/- 0.21  99.836% * 95.9962% (0.34   3.33  23.76) =  99.997%  kept
          QG2   THR   77 - HB3   HIS   22  10.65 +/- 0.63   0.149% *  1.6740% (0.99   0.02   0.02) =   0.003%
          QB    ALA   88 - HB3   HIS   22  15.83 +/- 0.77   0.013% *  1.2264% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   HIS   22  24.34 +/- 1.12   0.001% *  0.6339% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   HIS   22  24.71 +/- 0.61   0.001% *  0.4696% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2368 (7.03, 3.44, 70.99 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.2, residual support = 12.6:
          HN    ALA   47 - HB    THR   46   3.83 +/- 0.37  97.065% * 98.4477% (0.38   3.20  12.65) =  99.952%  kept
          QD    PHE   95 - HB    THR   46   7.26 +/- 0.68   2.935% *  1.5523% (0.95   0.02   0.02) =   0.048%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2369 (8.47, 3.44, 70.99 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.25, residual support = 34.5:
      O   HN    THR   46 - HB    THR   46   3.28 +/- 0.21  97.629% * 97.9705% (0.87   3.25  34.52) =  99.988%  kept
          HN    MET   92 - HB    THR   46   7.10 +/- 1.73   2.085% *  0.4775% (0.69   0.02   0.02) =   0.010%
          HN    LYS+  74 - HB    THR   46   8.93 +/- 0.53   0.251% *  0.6814% (0.98   0.02   0.02) =   0.002%
          HN    LYS+ 112 - HB    THR   46  12.66 +/- 0.98   0.034% *  0.3657% (0.53   0.02   0.02) =   0.000%
          HN    MET   11 - HB    THR   46  30.16 +/- 3.06   0.000% *  0.5048% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2370 (1.31, 3.50, 29.58 ppm):
    8 chemical-shift based assignments, quality = 0.272, support = 0.0194, residual support = 0.0194:
          HB3   LEU   80 - HB2   HIS   22   6.29 +/- 0.74  92.187% *  5.4086% (0.20   0.02   0.02) =  79.193%  kept
          QG2   THR   77 - HB2   HIS   22  10.04 +/- 0.52   6.445% * 17.3685% (0.64   0.02   0.02) =  17.780%  kept
          QB    ALA   88 - HB2   HIS   22  15.04 +/- 0.56   0.583% * 21.6906% (0.80   0.02   0.02) =   2.009%
          HB2   LEU   31 - HB2   HIS   22  14.97 +/- 0.57   0.599% *  8.1407% (0.30   0.02   0.02) =   0.775%
          HG2   LYS+  38 - HB2   HIS   22  25.14 +/- 0.98   0.028% * 18.1176% (0.67   0.02   0.02) =   0.082%
        T HB2   LEU   63 - HB2   HIS   22  19.78 +/- 0.57   0.110% *  3.7987% (0.14   0.02   0.02) =   0.066%
          HG2   LYS+  99 - HB2   HIS   22  25.30 +/- 0.65   0.025% * 15.7506% (0.58   0.02   0.02) =   0.062%
          HG2   LYS+ 111 - HB2   HIS   22  25.96 +/- 0.70   0.022% *  9.7246% (0.36   0.02   0.02) =   0.033%
    Distance limit 4.03 A violated in 20 structures by 2.18 A, eliminated.
    Peak unassigned.
 
    Peak 2372 (7.93, 4.63, 51.23 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 2.99, residual support = 14.4:
      O   HN    CYS   21 - HA    ALA   20   2.21 +/- 0.01  99.997% * 98.8687% (0.95   2.99  14.45) = 100.000%  kept
          HN    LYS+  33 - HA    ALA   20  13.64 +/- 0.23   0.002% *  0.4245% (0.61   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ALA   20  16.78 +/- 0.32   0.001% *  0.2160% (0.31   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ALA   20  20.18 +/- 0.46   0.000% *  0.3682% (0.53   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ALA   20  17.60 +/- 0.31   0.000% *  0.1226% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.05 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   7.60 +/- 0.36 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.26 A violated in 20 structures by 4.34 A, eliminated.
    Peak unassigned.
 
    Peak 2374 (2.40, 4.68, 56.96 ppm):
    5 chemical-shift based assignments, quality = 0.574, support = 0.02, residual support = 0.02:
          QG    GLU-  79 - HA    HIS   22   2.51 +/- 0.50  99.959% * 18.5628% (0.57   0.02   0.02) =  99.965%  kept
          HB3   PHE   45 - HA    HIS   22  10.83 +/- 0.43   0.035% * 13.7211% (0.42   0.02   0.02) =   0.026%
          QG    GLN   32 - HA    HIS   22  14.61 +/- 0.94   0.004% * 27.4474% (0.85   0.02   0.02) =   0.007%
          HB    VAL  107 - HA    HIS   22  19.04 +/- 1.06   0.001% * 26.5475% (0.82   0.02   0.02) =   0.002%
          QE    LYS+ 112 - HA    HIS   22  20.37 +/- 0.67   0.001% * 13.7211% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 1 structures by 0.02 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2375 (1.67, 4.68, 56.96 ppm):
    12 chemical-shift based assignments, quality = 0.602, support = 0.0192, residual support = 0.0192:
          HB    VAL   83 - HA    HIS   22   8.56 +/- 0.99  45.077% * 10.9951% (0.76   0.02   0.02) =  72.332%  kept
        T HB2   LEU   73 - HA    HIS   22   9.23 +/- 0.52  27.407% *  3.8178% (0.26   0.02   0.02) =  15.270%  kept
          HD2   LYS+  74 - HA    HIS   22   9.53 +/- 0.61  23.763% *  2.4048% (0.17   0.02   0.02) =   8.340%  kept
          HG3   PRO   93 - HA    HIS   22  16.17 +/- 0.85   0.922% * 11.4693% (0.79   0.02   0.02) =   1.543%
          HB3   MET   92 - HA    HIS   22  15.67 +/- 1.26   1.307% *  5.6451% (0.39   0.02   0.02) =   1.077%
          QD    LYS+  65 - HA    HIS   22  18.96 +/- 0.66   0.367% *  9.9709% (0.69   0.02   0.02) =   0.534%
          QD    LYS+  38 - HA    HIS   22  22.71 +/- 1.16   0.128% * 12.6755% (0.87   0.02   0.02) =   0.237%
          QD    LYS+ 102 - HA    HIS   22  22.80 +/- 1.14   0.122% * 13.2516% (0.91   0.02   0.02) =   0.236%
          QD    LYS+ 106 - HA    HIS   22  16.90 +/- 0.97   0.753% *  2.1187% (0.15   0.02   0.02) =   0.233%
          HB2   LYS+ 121 - HA    HIS   22  25.27 +/- 0.38   0.065% *  9.4321% (0.65   0.02   0.02) =   0.089%
          HD2   LYS+ 111 - HA    HIS   22  25.57 +/- 0.85   0.060% *  7.2243% (0.50   0.02   0.02) =   0.064%
          HB2   LEU  123 - HA    HIS   22  28.99 +/- 0.45   0.028% * 10.9951% (0.76   0.02   0.02) =   0.046%
    Distance limit 3.55 A violated in 20 structures by 3.87 A, eliminated.
    Peak unassigned.
 
    Peak 2376 (8.91, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.385, support = 0.0198, residual support = 0.0198:
          HN    ILE   19 - HA    HIS   22  10.95 +/- 0.11  97.902% * 67.5049% (0.39   0.02   0.02) =  98.979%  kept
          HN    LEU   40 - HA    HIS   22  20.79 +/- 0.42   2.098% * 32.4951% (0.19   0.02   0.02) =   1.021%
    Distance limit 3.67 A violated in 20 structures by 7.28 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 = 5.02, residual support = 25.5:
      O   HN    VAL   24 - HA    THR   23   2.29 +/- 0.06 100.000% *100.0000% (0.64   5.02  25.53) = 100.000%  kept
    Distance limit 3.23 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 = 5.48, residual support = 25.5:
          HN    VAL   24 - HB    THR   23   3.03 +/- 0.20 100.000% *100.0000% (0.49   5.48  25.53) = 100.000%  kept
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2380 (7.35, 1.28, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.726, support = 4.8, residual support = 19.4:
          HN    THR   23 - QG2   THR   23   3.37 +/- 0.21  84.031% * 96.7861% (0.73   4.80  19.40) =  99.977%  kept
          HD2   HIS   22 - QG2   THR   23   6.04 +/- 0.20   2.670% *  0.4243% (0.76   0.02  23.76) =   0.014%
          HD1   TRP   49 - QB    ALA   91   6.32 +/- 2.32  11.900% *  0.0523% (0.09   0.02   0.02) =   0.008%
          HE3   TRP   27 - QG2   THR   23   8.19 +/- 0.32   0.414% *  0.1236% (0.22   0.02   2.37) =   0.001%
          HN    LEU   67 - QG2   THR   39   8.81 +/- 0.82   0.325% *  0.1225% (0.22   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   23  14.09 +/- 1.95   0.023% *  0.4979% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   39  10.32 +/- 1.19   0.192% *  0.0422% (0.08   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    ALA   91  10.02 +/- 0.31   0.126% *  0.0401% (0.07   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   23  16.02 +/- 0.42   0.008% *  0.3813% (0.69   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   39  12.76 +/- 0.73   0.033% *  0.0849% (0.15   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   91  10.26 +/- 1.30   0.137% *  0.0162% (0.03   0.02   0.02) =   0.000%
          HD2   HIS   22 - QB    ALA   91  12.77 +/- 1.04   0.032% *  0.0446% (0.08   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   23  16.38 +/- 0.71   0.007% *  0.1894% (0.34   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG2   THR   39  11.99 +/- 0.61   0.045% *  0.0275% (0.05   0.02   0.02) =   0.000%
          HN    LEU   67 - QG2   THR   23  20.70 +/- 0.31   0.002% *  0.5502% (0.99   0.02   0.02) =   0.000%
          HD2   HIS   22 - QG2   THR   39  16.06 +/- 0.78   0.008% *  0.0945% (0.17   0.02   0.02) =   0.000%
          HN    THR   23 - QG2   THR   39  16.14 +/- 0.70   0.007% *  0.0897% (0.16   0.02   0.02) =   0.000%
          HN    THR   23 - QB    ALA   91  14.49 +/- 0.59   0.014% *  0.0424% (0.08   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   23  20.25 +/- 0.58   0.002% *  0.1544% (0.28   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    ALA   91  13.81 +/- 0.34   0.018% *  0.0130% (0.02   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    ALA   91  20.22 +/- 0.42   0.002% *  0.0578% (0.10   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   39  19.67 +/- 0.59   0.002% *  0.0344% (0.06   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   39  24.60 +/- 0.37   0.001% *  0.1108% (0.20   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   91  22.42 +/- 1.55   0.001% *  0.0199% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.31 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   2.65 +/- 0.55  99.989% * 91.4935% (0.34   1.84  10.83) = 100.000%  kept
          HG3   MET   96 - HA    VAL   83  14.35 +/- 0.75   0.008% *  2.9232% (1.00   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    VAL   83  16.75 +/- 0.74   0.003% *  0.6508% (0.22   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    VAL   83  22.29 +/- 0.82   0.001% *  2.6985% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    VAL   83  26.55 +/- 0.37   0.000% *  2.2340% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.07 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   2.54 +/- 0.45  99.968% * 96.7689% (0.98   2.25  10.83) = 100.000%  kept
          HB2   ASN   28 - HA    VAL   83  11.57 +/- 0.74   0.018% *  0.7870% (0.90   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    VAL   83  12.43 +/- 0.20   0.011% *  0.2440% (0.28   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    VAL   83  17.48 +/- 0.72   0.001% *  0.6372% (0.73   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    VAL   83  18.22 +/- 1.19   0.001% *  0.7027% (0.80   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    VAL   83  25.76 +/- 0.91   0.000% *  0.8602% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 4.73, residual support = 87.3:
      O   HN    VAL   83 - HA    VAL   83   2.86 +/- 0.01  99.995% * 98.9829% (0.57   4.73  87.28) = 100.000%  kept
          HN    CYS   50 - HA    VAL   83  17.48 +/- 0.35   0.002% *  0.7133% (0.97   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   83  16.18 +/- 0.27   0.003% *  0.3039% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.66 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   3.13 +/- 0.09  99.969% * 97.0740% (0.95   2.25  10.83) = 100.000%  kept
          HN    GLN   30 - HA    VAL   83  14.30 +/- 0.61   0.012% *  0.8941% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    VAL   83  13.41 +/- 0.60   0.017% *  0.5164% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    VAL   83  20.02 +/- 0.62   0.001% *  0.4090% (0.45   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    VAL   83  23.94 +/- 1.96   0.001% *  0.4799% (0.53   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    VAL   83  28.38 +/- 1.74   0.000% *  0.6266% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 4.25, residual support = 13.7:
          HD1   TRP   87 - HA    VAL   83   3.87 +/- 0.08  97.142% * 97.6359% (0.73   4.25  13.65) =  99.994%  kept
          HE3   TRP   87 - HA    VAL   83   7.13 +/- 0.29   2.522% *  0.1757% (0.28   0.02  13.65) =   0.005%
          HN    TRP   27 - HA    VAL   83  11.06 +/- 0.51   0.187% *  0.5979% (0.95   0.02   0.02) =   0.001%
          HN    ALA   91 - HA    VAL   83  11.60 +/- 0.31   0.135% *  0.4089% (0.65   0.02   0.02) =   0.001%
          HN    THR   39 - HA    VAL   83  22.89 +/- 0.43   0.002% *  0.4830% (0.76   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    VAL   83  20.21 +/- 0.62   0.005% *  0.2156% (0.34   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    VAL   83  22.52 +/- 0.33   0.003% *  0.3578% (0.57   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    VAL   83  20.18 +/- 1.02   0.005% *  0.1251% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2386 (0.57, 3.77, 66.14 ppm):
    9 chemical-shift based assignments, quality = 0.411, support = 1.94, residual support = 9.64:
          QD2   LEU   80 - HA    VAL   24   2.06 +/- 0.14  94.923% * 90.8639% (0.41   1.94   9.64) =  99.969%  kept
          QD1   LEU   80 - HA    VAL   24   3.43 +/- 0.15   4.996% *  0.5065% (0.22   0.02   9.64) =   0.029%
          QD1   LEU   73 - HA    VAL   24   6.99 +/- 0.31   0.066% *  1.8216% (0.80   0.02   0.02) =   0.001%
          QG2   VAL   41 - HA    VAL   24   9.75 +/- 0.31   0.009% *  0.8538% (0.38   0.02   0.02) =   0.000%
          QD2   LEU   98 - HA    VAL   24  10.87 +/- 0.59   0.005% *  0.5065% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   24  16.94 +/- 0.57   0.000% *  1.8216% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    VAL   24  18.74 +/- 0.64   0.000% *  2.1000% (0.92   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   24  18.20 +/- 0.52   0.000% *  0.5065% (0.22   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   24  20.98 +/- 0.73   0.000% *  1.0199% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2387 (2.11, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 66.5:
      O T HB    VAL   24 - HA    VAL   24   2.81 +/- 0.20  99.947% * 98.4936% (1.00   3.97  66.49) = 100.000%  kept
          QB    GLN   32 - HA    VAL   24  10.10 +/- 0.42   0.051% *  0.4920% (0.99   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    VAL   24  21.33 +/- 0.66   0.001% *  0.4306% (0.87   0.02   0.02) =   0.000%
        T HB2   PRO   68 - HA    VAL   24  24.07 +/- 0.60   0.000% *  0.4306% (0.87   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    VAL   24  22.05 +/- 1.07   0.000% *  0.0766% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    VAL   24  25.03 +/- 0.58   0.000% *  0.0766% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 22.9:
        T HB3   TRP   27 - HA    VAL   24   3.41 +/- 0.14  99.976% * 98.1491% (1.00   3.00  22.86) = 100.000%  kept
          QE    LYS+ 106 - HA    VAL   24  16.46 +/- 1.20   0.009% *  0.4242% (0.65   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    VAL   24  19.07 +/- 0.59   0.003% *  0.6500% (0.99   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    VAL   24  18.22 +/- 0.52   0.005% *  0.2940% (0.45   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    VAL   24  18.89 +/- 0.54   0.004% *  0.3192% (0.49   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    VAL   24  19.51 +/- 0.84   0.003% *  0.1635% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2389 (9.22, 3.77, 66.14 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.65, residual support = 66.5:
      O   HN    VAL   24 - HA    VAL   24   2.82 +/- 0.03 100.000% *100.0000% (0.97   4.65  66.49) = 100.000%  kept
    Distance limit 3.48 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 = 0.761, support = 5.69, residual support = 28.1:
      O   HN    GLU-  25 - HA    VAL   24   3.57 +/- 0.02  45.964% * 62.9093% (0.92   5.62  37.07) =  59.224%  kept
          HN    ASN   28 - HA    VAL   24   3.48 +/- 0.19  54.008% * 36.8614% (0.53   5.78  15.19) =  40.775%  kept
          HN    ASP-  44 - HA    VAL   24  12.35 +/- 0.50   0.028% *  0.2294% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2391 (7.75, 3.77, 66.14 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 3.15, residual support = 22.9:
          HN    TRP   27 - HA    VAL   24   3.25 +/- 0.05  99.893% * 94.8540% (0.45   3.15  22.86) =  99.999%  kept
          HD1   TRP   87 - HA    VAL   24  10.81 +/- 0.79   0.083% *  1.3296% (0.99   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    VAL   24  14.90 +/- 0.21   0.011% *  1.1636% (0.87   0.02   0.02) =   0.000%
          HN    THR   39 - HA    VAL   24  18.28 +/- 0.42   0.003% *  1.3149% (0.98   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    VAL   24  18.87 +/- 1.09   0.003% *  0.9215% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    VAL   24  16.43 +/- 0.61   0.006% *  0.2349% (0.18   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    VAL   24  20.48 +/- 0.54   0.002% *  0.1815% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 3.36, residual support = 66.5:
      O T QG1   VAL   24 - HB    VAL   24   2.12 +/- 0.01  99.988% * 96.8929% (0.98   3.36  66.49) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  11.05 +/- 0.30   0.005% *  0.3331% (0.57   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  11.37 +/- 0.17   0.004% *  0.0796% (0.14   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.08 +/- 0.36   0.001% *  0.2527% (0.43   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  15.63 +/- 0.82   0.001% *  0.1831% (0.31   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  19.64 +/- 0.85   0.000% *  0.4272% (0.73   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  14.71 +/- 1.10   0.001% *  0.0471% (0.08   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  19.70 +/- 0.47   0.000% *  0.1970% (0.33   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  22.00 +/- 0.77   0.000% *  0.3412% (0.58   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  22.91 +/- 1.19   0.000% *  0.3480% (0.59   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  27.08 +/- 1.12   0.000% *  0.3096% (0.53   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  30.24 +/- 1.31   0.000% *  0.5884% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 3.55, residual support = 66.5:
      O   QG2   VAL   24 - HB    VAL   24   2.14 +/- 0.01  99.996% * 98.0420% (1.00   3.55  66.49) = 100.000%  kept
          HG    LEU   63 - HB2   PRO   68  12.62 +/- 0.80   0.003% *  0.3212% (0.58   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.08 +/- 0.36   0.001% *  0.0730% (0.13   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   PRO   68  22.12 +/- 0.48   0.000% *  0.3270% (0.59   0.02   0.02) =   0.000%
          HG    LEU   63 - HB    VAL   24  24.45 +/- 0.93   0.000% *  0.5430% (0.98   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  19.64 +/- 0.85   0.000% *  0.1233% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   PRO   68  23.60 +/- 1.08   0.000% *  0.2120% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL   24  28.52 +/- 1.23   0.000% *  0.3584% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.806, support = 1.88, residual support = 8.9:
          QD2   LEU   80 - HB    VAL   24   3.03 +/- 0.52  88.397% * 57.6310% (0.80   1.94   9.64) =  92.153%  kept
          QG1   VAL   83 - HB    VAL   24   4.48 +/- 0.96  11.314% * 38.3359% (0.87   1.19   0.21) =   7.846%  kept
          QD1   LEU   73 - HB    VAL   24   9.28 +/- 0.44   0.133% *  0.3045% (0.41   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB2   PRO   68  12.49 +/- 1.13   0.028% *  0.4229% (0.57   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB    VAL   24  10.75 +/- 1.01   0.051% *  0.1847% (0.25   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   PRO   68  11.40 +/- 0.37   0.046% *  0.1801% (0.24   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   PRO   68  13.40 +/- 0.32   0.017% *  0.1801% (0.24   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   PRO   68  15.29 +/- 0.68   0.007% *  0.3349% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   24  20.23 +/- 0.70   0.001% *  0.7149% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   24  18.93 +/- 0.79   0.002% *  0.3045% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   PRO   68  20.04 +/- 0.52   0.002% *  0.3509% (0.47   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   24  22.75 +/- 1.00   0.001% *  0.5661% (0.76   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   PRO   68  22.05 +/- 0.43   0.001% *  0.3801% (0.51   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   PRO   68  23.10 +/- 0.67   0.001% *  0.1093% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2395 (3.77, 2.11, 32.16 ppm):
    6 chemical-shift based assignments, quality = 0.879, support = 3.89, residual support = 65.1:
      O T HA    VAL   24 - HB    VAL   24   2.81 +/- 0.20  88.445% * 85.3841% (0.90   3.97  66.49) =  97.963%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.98 +/- 0.16  11.551% * 13.5924% (0.10   5.47  36.77) =   2.037%
          HA    LYS+  38 - HB2   PRO   68  16.08 +/- 1.62   0.003% *  0.2546% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  20.47 +/- 0.34   0.001% *  0.4303% (0.90   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  24.07 +/- 0.60   0.000% *  0.2546% (0.53   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  26.96 +/- 0.87   0.000% *  0.0840% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 3.36, residual support = 66.5:
      O T HB    VAL   24 - QG1   VAL   24   2.12 +/- 0.01  99.986% * 97.6745% (0.92   3.36  66.49) = 100.000%  kept
          QB    GLN   32 - QG1   VAL   24   9.54 +/- 0.52   0.013% *  0.6078% (0.97   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QG1   VAL   24  18.79 +/- 1.08   0.000% *  0.4074% (0.65   0.02   0.02) =   0.000%
        T HB2   PRO   68 - QG1   VAL   24  22.00 +/- 0.77   0.000% *  0.6242% (0.99   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG1   VAL   24  18.59 +/- 1.27   0.000% *  0.1944% (0.31   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL   24  18.82 +/- 1.63   0.000% *  0.1570% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG1   VAL   24  21.92 +/- 0.84   0.000% *  0.1944% (0.31   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL   24  25.79 +/- 2.44   0.000% *  0.1402% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 0.449, support = 5.77, residual support = 34.2:
          HN    GLU-  25 - HB    VAL   24   3.36 +/- 0.35  59.550% * 47.5876% (0.53   5.85  37.07) =  77.679%  kept
      O   HN    ASN   69 - HB2   PRO   68   3.66 +/- 0.59  37.729% * 19.2521% (0.20   6.17  27.33) =  19.910%  kept
          HN    ASN   28 - HB    VAL   24   5.62 +/- 0.16   2.705% * 32.5107% (0.92   2.28  15.19) =   2.411%
          HN    ASP-  44 - HB    VAL   24  14.59 +/- 0.80   0.010% *  0.1752% (0.57   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  16.78 +/- 0.52   0.004% *  0.1036% (0.33   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  22.26 +/- 0.54   0.001% *  0.1690% (0.55   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  25.34 +/- 0.48   0.000% *  0.1055% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  25.63 +/- 0.75   0.000% *  0.0963% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2398 (9.23, 2.11, 32.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 4.68, residual support = 66.5:
      O   HN    VAL   24 - HB    VAL   24   2.12 +/- 0.21 100.000% * 99.7479% (0.38   4.68  66.49) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  25.92 +/- 0.71   0.000% *  0.2521% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 66.5:
          HN    VAL   24 - QG1   VAL   24   2.82 +/- 0.48 100.000% *100.0000% (0.73   4.09  66.49) = 100.000%  kept
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2400 (8.80, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.95, residual support = 125.3:
      O   HN    GLU-  25 - HB2   GLU-  25   2.45 +/- 0.45  98.979% * 98.4877% (0.41   5.95 125.36) =  99.992%  kept
          HN    ASN   28 - HB2   GLU-  25   5.74 +/- 0.13   1.019% *  0.7898% (0.98   0.02   4.32) =   0.008%
          HN    ASP-  44 - HB2   GLU-  25  16.87 +/- 0.36   0.001% *  0.3613% (0.45   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   GLU-  25  24.78 +/- 0.57   0.000% *  0.3613% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 5.94, residual support = 125.3:
      O   HN    GLU-  25 - HB3   GLU-  25   2.86 +/- 0.64  97.365% * 98.4877% (0.41   5.95 125.36) =  99.978%  kept
          HN    ASN   28 - HB3   GLU-  25   5.76 +/- 0.13   2.632% *  0.7898% (0.98   0.02   4.32) =   0.022%
          HN    ASP-  44 - HB3   GLU-  25  17.22 +/- 0.36   0.003% *  0.3613% (0.45   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   GLU-  25  24.82 +/- 0.74   0.000% *  0.3613% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2402 (8.14, 2.01, 28.95 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 5.26, residual support = 27.3:
          HN    THR   26 - HB3   GLU-  25   3.12 +/- 0.22  99.998% * 98.7465% (0.34   5.26  27.26) = 100.000%  kept
          HN    LEU   71 - HB3   GLU-  25  19.18 +/- 0.60   0.002% *  0.8407% (0.76   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   GLU-  25  32.86 +/- 0.56   0.000% *  0.4128% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2403 (8.06, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.259, support = 1.8, residual support = 1.8:
          HN    SER   85 - HA    SER   82   3.76 +/- 0.10  97.702% * 87.6808% (0.26   1.80   1.80) =  99.959%  kept
          HN    GLN   32 - HA    GLU-  25   8.66 +/- 0.17   0.669% *  3.7537% (1.00   0.02   0.02) =   0.029%
          HN    LEU   80 - HA    SER   82   7.77 +/- 0.11   1.281% *  0.3753% (0.10   0.02   0.20) =   0.006%
          HN    LEU   80 - HA    GLU-  25  10.49 +/- 0.22   0.212% *  1.1586% (0.31   0.02   0.02) =   0.003%
          HN    SER   85 - HA    GLU-  25  13.80 +/- 0.57   0.042% *  3.0057% (0.80   0.02   0.02) =   0.001%
          HN    ALA   34 - HA    GLU-  25  12.50 +/- 0.26   0.075% *  1.5432% (0.41   0.02   0.02) =   0.001%
          HN    GLN   32 - HA    SER   82  17.15 +/- 0.43   0.011% *  1.2160% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   82  20.25 +/- 0.45   0.004% *  0.4999% (0.13   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    GLU-  25  25.68 +/- 0.54   0.001% *  0.5792% (0.15   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    SER   82  21.80 +/- 0.51   0.003% *  0.1876% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2404 (8.80, 4.18, 61.45 ppm):
    8 chemical-shift based assignments, quality = 0.495, support = 5.52, residual support = 107.6:
      O   HN    GLU-  25 - HA    GLU-  25   2.75 +/- 0.03  87.513% * 44.8422% (0.41   5.95 125.36) =  85.293%  kept
          HN    ASN   28 - HA    GLU-  25   3.82 +/- 0.11  12.403% * 54.5570% (0.98   3.03   4.32) =  14.707%  kept
          HN    GLU-  25 - HA    SER   82   9.28 +/- 0.60   0.065% *  0.0489% (0.13   0.02   0.02) =   0.000%
          HN    ASN   28 - HA    SER   82  11.62 +/- 0.41   0.016% *  0.1165% (0.32   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    GLU-  25  16.30 +/- 0.42   0.002% *  0.1645% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    SER   82  17.13 +/- 0.41   0.002% *  0.0533% (0.15   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    GLU-  25  24.02 +/- 0.45   0.000% *  0.1645% (0.45   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    SER   82  30.06 +/- 0.43   0.000% *  0.0533% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 0.471, support = 2.31, residual support = 4.69:
          HD21  ASN   28 - HA    GLU-  25   4.19 +/- 0.09  65.469% * 47.4237% (0.61   1.38   4.32) =  67.052%  kept
          HN    ALA   84 - HA    SER   82   4.72 +/- 0.19  32.517% * 46.9028% (0.20   4.22   5.45) =  32.938%  kept
          HE21  GLN   32 - HA    GLU-  25   9.69 +/- 1.58   0.789% *  0.2521% (0.22   0.02   0.02) =   0.004%
          HZ2   TRP   87 - HA    SER   82   8.87 +/- 0.29   0.744% *  0.1508% (0.13   0.02   0.02) =   0.002%
          HD21  ASN   28 - HA    SER   82  10.32 +/- 0.46   0.301% *  0.2225% (0.20   0.02   0.02) =   0.001%
          HN    ALA   84 - HA    GLU-  25  12.52 +/- 0.58   0.095% *  0.6869% (0.61   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HA    GLU-  25  13.69 +/- 1.41   0.068% *  0.4656% (0.41   0.02   0.02) =   0.001%
          HN    LEU   63 - HA    GLU-  25  25.09 +/- 0.44   0.001% *  1.1225% (0.99   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    GLU-  25  26.36 +/- 0.61   0.001% *  1.0713% (0.95   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    SER   82  18.67 +/- 1.94   0.010% *  0.0817% (0.07   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    SER   82  24.08 +/- 0.52   0.002% *  0.3470% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    GLU-  25  27.81 +/- 0.47   0.001% *  0.6869% (0.61   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    SER   82  24.65 +/- 0.45   0.002% *  0.2225% (0.20   0.02   0.02) =   0.000%
          HN    LEU   63 - HA    SER   82  27.17 +/- 0.35   0.001% *  0.3636% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2406 (2.92, 4.18, 61.45 ppm):
    16 chemical-shift based assignments, quality = 0.991, support = 1.18, residual support = 4.32:
          HB2   ASN   28 - HA    GLU-  25   3.07 +/- 0.13  97.580% * 91.2780% (0.99   1.18   4.32) =  99.989%  kept
          HB2   ASP-  86 - HA    SER   82   5.88 +/- 0.45   2.223% *  0.3686% (0.24   0.02   0.02) =   0.009%
          QE    LYS+  33 - HA    GLU-  25  11.08 +/- 1.67   0.065% *  1.5633% (1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HA    GLU-  25  13.92 +/- 0.91   0.013% *  1.1377% (0.73   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    SER   82  12.15 +/- 0.53   0.027% *  0.5031% (0.32   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    GLU-  25  12.79 +/- 0.41   0.020% *  0.5880% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    SER   82  12.30 +/- 0.36   0.024% *  0.3078% (0.20   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    GLU-  25  13.91 +/- 0.53   0.012% *  0.3101% (0.20   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  25  17.14 +/- 0.62   0.003% *  0.9503% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    SER   82  12.00 +/- 0.26   0.028% *  0.1004% (0.06   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    SER   82  19.52 +/- 1.42   0.002% *  0.5064% (0.32   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  25  24.40 +/- 1.57   0.000% *  1.4464% (0.92   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    SER   82  20.03 +/- 0.51   0.001% *  0.1905% (0.12   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  25  24.20 +/- 0.77   0.000% *  0.2120% (0.14   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    SER   82  27.76 +/- 1.03   0.000% *  0.4685% (0.30   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    SER   82  31.06 +/- 0.71   0.000% *  0.0687% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2407 (1.36, 4.18, 61.45 ppm):
    32 chemical-shift based assignments, quality = 0.306, support = 0.0192, residual support = 4.43:
          QB    ALA   84 - HA    SER   82   5.31 +/- 0.07  78.986% *  2.6264% (0.32   0.02   5.45) =  81.118%  kept
          HB2   LEU   31 - HA    GLU-  25   8.29 +/- 0.46   5.803% *  2.7903% (0.34   0.02   0.02) =   6.332%  kept
          HB3   LEU   80 - HA    SER   82   7.46 +/- 0.20  10.452% *  1.2898% (0.16   0.02   0.20) =   5.272%  kept
          HB3   LEU   80 - HA    GLU-  25   9.85 +/- 0.45   2.038% *  3.9817% (0.49   0.02   0.02) =   3.173%  kept
          QB    ALA   84 - HA    GLU-  25  12.17 +/- 0.43   0.562% *  8.1077% (0.99   0.02   0.02) =   1.781%
          HB3   LEU   73 - HA    GLU-  25  11.72 +/- 0.31   0.698% *  3.3630% (0.41   0.02   0.02) =   0.918%
          HG3   LYS+  33 - HA    GLU-  25  12.05 +/- 1.76   0.839% *  2.2744% (0.28   0.02   0.02) =   0.746%
          HG    LEU   98 - HA    GLU-  25  17.37 +/- 0.77   0.067% *  7.7381% (0.95   0.02   0.02) =   0.204%
          HB3   ASP-  44 - HA    GLU-  25  19.45 +/- 0.48   0.033% *  5.9400% (0.73   0.02   0.02) =   0.077%
          HB2   LEU   31 - HA    SER   82  15.28 +/- 0.48   0.142% *  0.9039% (0.11   0.02   0.02) =   0.050%
          HB3   LEU   73 - HA    SER   82  15.87 +/- 0.55   0.114% *  1.0894% (0.13   0.02   0.02) =   0.049%
          HB    VAL   42 - HA    GLU-  25  19.02 +/- 0.54   0.038% *  2.7903% (0.34   0.02   0.02) =   0.042%
          HG3   LYS+ 106 - HA    GLU-  25  21.93 +/- 1.19   0.017% *  5.2918% (0.65   0.02   0.02) =   0.035%
          HB3   PRO   93 - HA    GLU-  25  23.73 +/- 0.75   0.010% *  8.1620% (1.00   0.02   0.02) =   0.032%
          HG    LEU   98 - HA    SER   82  20.18 +/- 0.91   0.027% *  2.5067% (0.31   0.02   0.02) =   0.027%
          HB3   PRO   93 - HA    SER   82  20.44 +/- 0.42   0.025% *  2.6440% (0.32   0.02   0.02) =   0.025%
          HB3   ASP-  44 - HA    SER   82  19.66 +/- 0.39   0.031% *  1.9242% (0.24   0.02   0.02) =   0.023%
          HB2   LEU   63 - HA    GLU-  25  23.54 +/- 0.63   0.011% *  4.9615% (0.61   0.02   0.02) =   0.021%
          HG3   LYS+ 102 - HA    GLU-  25  23.31 +/- 1.55   0.012% *  3.6674% (0.45   0.02   0.02) =   0.017%
          HG3   LYS+ 106 - HA    SER   82  21.51 +/- 1.19   0.019% *  1.7142% (0.21   0.02   0.02) =   0.013%
          QB    ALA  124 - HA    GLU-  25  29.46 +/- 1.07   0.003% *  7.0957% (0.87   0.02   0.02) =   0.008%
          HG3   LYS+  65 - HA    GLU-  25  25.27 +/- 0.69   0.007% *  2.7903% (0.34   0.02   0.02) =   0.008%
          HG3   LYS+  33 - HA    SER   82  21.04 +/- 1.52   0.022% *  0.7368% (0.09   0.02   0.02) =   0.006%
          HB    VAL   42 - HA    SER   82  22.35 +/- 0.59   0.014% *  0.9039% (0.11   0.02   0.02) =   0.005%
          HB2   LEU   63 - HA    SER   82  25.67 +/- 0.45   0.006% *  1.6072% (0.20   0.02   0.02) =   0.004%
          HG3   LYS+ 102 - HA    SER   82  26.18 +/- 1.47   0.006% *  1.1880% (0.15   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - HA    GLU-  25  32.31 +/- 0.63   0.002% *  4.3037% (0.53   0.02   0.02) =   0.003%
          HG2   LYS+ 111 - HA    GLU-  25  30.16 +/- 0.57   0.002% *  2.2744% (0.28   0.02   0.02) =   0.002%
          QB    ALA  124 - HA    SER   82  31.26 +/- 1.06   0.002% *  2.2986% (0.28   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HA    SER   82  26.29 +/- 0.71   0.005% *  0.7368% (0.09   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HA    SER   82  29.51 +/- 0.52   0.003% *  1.3942% (0.17   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HA    SER   82  29.14 +/- 0.54   0.003% *  0.9039% (0.11   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 20 structures by 1.50 A, eliminated.
    Peak unassigned.
 
    Peak 2408 (1.04, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.612, support = 0.0196, residual support = 0.0196:
          QG2   VAL  108 - HA    GLU-  25  22.54 +/- 1.19  14.211% * 22.9376% (0.92   0.02   0.02) =  29.711%  kept
          HB2   LEU  104 - HA    GLU-  25  23.00 +/- 0.61  12.685% * 19.8967% (0.80   0.02   0.02) =  23.004%  kept
          QG2   VAL  108 - HA    SER   82  19.65 +/- 1.32  33.004% *  7.4304% (0.30   0.02   0.02) =  22.352%  kept
          QD1   ILE  119 - HA    GLU-  25  24.51 +/- 0.81   8.751% * 12.0948% (0.49   0.02   0.02) =   9.647%  kept
          HB2   LEU  104 - HA    SER   82  25.45 +/- 0.69   6.888% *  6.4453% (0.26   0.02   0.02) =   4.046%  kept
          HG    LEU   63 - HA    GLU-  25  25.35 +/- 0.86   7.001% *  5.5320% (0.22   0.02   0.02) =   3.530%  kept
          HG3   LYS+ 112 - HA    GLU-  25  31.17 +/- 0.91   2.047% * 15.0711% (0.61   0.02   0.02) =   2.812%  kept
          QD1   ILE  119 - HA    SER   82  25.06 +/- 0.56   7.524% *  3.9180% (0.16   0.02   0.02) =   2.687%  kept
          HG3   LYS+ 112 - HA    SER   82  28.81 +/- 0.93   3.277% *  4.8821% (0.20   0.02   0.02) =   1.458%
          HG    LEU   63 - HA    SER   82  27.16 +/- 0.67   4.611% *  1.7920% (0.07   0.02   0.02) =   0.753%
    Distance limit 4.00 A violated in 20 structures by 12.46 A, eliminated.
    Peak unassigned.
 
    Peak 2409 (2.22, 4.15, 66.74 ppm):
    9 chemical-shift based assignments, quality = 0.231, support = 1.38, residual support = 4.59:
          HB2   GLU-  29 - HA    THR   26   2.21 +/- 0.28  97.587% * 17.6957% (0.22   1.15   2.19) =  90.429%  kept
          HB2   GLU-  25 - HA    THR   26   4.56 +/- 0.50   2.408% * 75.9147% (0.31   3.57  27.26) =   9.571%  kept
          HB3   ASP-  76 - HA    THR   26  14.32 +/- 0.46   0.002% *  1.2369% (0.90   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    THR   26  14.54 +/- 1.55   0.002% *  0.5670% (0.41   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    THR   26  16.32 +/- 0.39   0.001% *  1.2369% (0.90   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    THR   26  18.24 +/- 0.39   0.000% *  0.6713% (0.49   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    THR   26  21.31 +/- 0.62   0.000% *  1.3046% (0.95   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    THR   26  24.71 +/- 0.32   0.000% *  0.9473% (0.69   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    THR   26  22.94 +/- 2.22   0.000% *  0.4257% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2410 (8.14, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.1, residual support = 27.7:
      O   HN    THR   26 - HA    THR   26   2.86 +/- 0.01  99.995% * 98.3975% (0.34   4.10  27.70) = 100.000%  kept
          HN    LEU   71 - HA    THR   26  15.05 +/- 0.32   0.005% *  1.0747% (0.76   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    THR   26  30.57 +/- 0.38   0.000% *  0.5278% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.441, support = 1.4, residual support = 3.6:
          HN    GLU-  29 - HA    THR   26   3.14 +/- 0.12  86.999% * 13.7414% (0.22   0.97   2.19) =  52.868%  kept
          HN    GLN   30 - HA    THR   26   4.35 +/- 0.17  12.989% * 82.0511% (0.69   1.88   5.17) =  47.131%  kept
          HN    GLU-  14 - HA    THR   26  16.49 +/- 2.04   0.006% *  1.2427% (0.98   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   26  16.88 +/- 0.49   0.004% *  0.7689% (0.61   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   26  19.76 +/- 0.62   0.001% *  1.0589% (0.84   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   26  22.90 +/- 1.76   0.001% *  1.1370% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2412 (7.36, 4.23, 69.37 ppm):
    6 chemical-shift based assignments, quality = 0.375, support = 2.25, residual support = 13.9:
          HN    THR   23 - HB    THR   26   3.57 +/- 0.04  98.383% * 91.7939% (0.38   2.25  13.89) =  99.962%  kept
          HD2   HIS   22 - HB    THR   26   7.22 +/- 0.49   1.591% *  2.1548% (0.99   0.02   0.02) =   0.038%
          HD21  ASN   35 - HB    THR   26  15.85 +/- 0.78   0.013% *  1.4934% (0.69   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB    THR   26  19.66 +/- 1.95   0.004% *  2.1548% (0.99   0.02   0.02) =   0.000%
          QE    PHE   95 - HB    THR   26  17.98 +/- 0.61   0.006% *  0.7416% (0.34   0.02   0.02) =   0.000%
          HN    LEU   67 - HB    THR   26  21.49 +/- 0.37   0.002% *  1.6615% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2413 (7.74, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 3.32, residual support = 19.8:
          HN    TRP   27 - HB    THR   26   3.13 +/- 0.15  99.978% * 97.4502% (0.84   3.32  19.83) = 100.000%  kept
          HD1   TRP   87 - HB    THR   26  15.98 +/- 0.69   0.006% *  0.6089% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB    THR   26  15.19 +/- 0.19   0.008% *  0.3417% (0.49   0.02   0.02) =   0.000%
          HN    THR   39 - HB    THR   26  18.43 +/- 0.40   0.003% *  0.6295% (0.90   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   26  19.90 +/- 0.40   0.002% *  0.3417% (0.49   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    THR   26  20.05 +/- 0.48   0.002% *  0.2886% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB    THR   26  21.58 +/- 1.03   0.001% *  0.2166% (0.31   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    THR   26  20.16 +/- 0.86   0.001% *  0.1229% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2414 (8.13, 4.23, 69.37 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.05, residual support = 27.7:
      O   HN    THR   26 - HB    THR   26   2.01 +/- 0.04 100.000% * 99.8101% (0.80   4.05  27.70) = 100.000%  kept
          HN    LEU   71 - HB    THR   26  16.11 +/- 0.31   0.000% *  0.1899% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 0.193, support = 0.743, residual support = 2.66:
          HA    CYS   21 - QG2   THR   26   2.71 +/- 0.28  99.128% * 23.7943% (0.18   0.75   2.73) =  97.477%  kept
          HA    ALA   20 - QG2   THR   26   6.08 +/- 0.25   0.824% * 74.0223% (0.87   0.47   0.02) =   2.521%  kept
          HA    LEU   71 - QG2   THR   26  10.03 +/- 0.31   0.046% *  0.5590% (0.15   0.02   0.02) =   0.001%
          HA    LYS+ 102 - QG2   THR   26  17.85 +/- 0.65   0.002% *  1.6243% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2416 (2.07, 1.50, 23.02 ppm):
    8 chemical-shift based assignments, quality = 0.873, support = 0.0194, residual support = 0.0194:
          HB2   GLU-  14 - QG2   THR   26  11.28 +/- 1.56  68.950% * 18.7520% (0.92   0.02   0.02) =  79.009%  kept
          HB2   PRO   93 - QG2   THR   26  16.15 +/- 0.78   8.579% * 12.3210% (0.61   0.02   0.02) =   6.459%  kept
          HG2   MET   11 - QG2   THR   26  18.47 +/- 2.39   4.642% * 19.2160% (0.95   0.02   0.02) =   5.451%  kept
          HG3   PRO   52 - QG2   THR   26  19.45 +/- 0.80   2.977% * 17.6208% (0.87   0.02   0.02) =   3.205%  kept
          HG2   PRO   58 - QG2   THR   26  19.75 +/- 0.48   2.635% * 17.6208% (0.87   0.02   0.02) =   2.837%  kept
          HB2   PRO   68 - QG2   THR   26  16.30 +/- 0.77   8.013% *  3.1343% (0.15   0.02   0.02) =   1.535%
          HB2   ARG+  54 - QG2   THR   26  19.70 +/- 0.77   2.739% *  6.2698% (0.31   0.02   0.02) =   1.050%
          HB    VAL  108 - QG2   THR   26  21.77 +/- 0.37   1.464% *  5.0653% (0.25   0.02   0.02) =   0.453%
    Distance limit 3.50 A violated in 20 structures by 7.25 A, eliminated.
    Peak unassigned.
 
    Peak 2417 (2.73, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 0.75, residual support = 5.17:
        T HG2   GLN   30 - QG2   THR   26   3.07 +/- 0.28  99.316% * 95.2595% (0.99   0.75   5.17) =  99.982%  kept
          HB3   ASN   28 - QG2   THR   26   7.17 +/- 0.19   0.681% *  2.4734% (0.97   0.02   0.11) =   0.018%
          QE    LYS+ 121 - QG2   THR   26  20.67 +/- 0.72   0.001% *  1.5545% (0.61   0.02   0.02) =   0.000%
          HB3   HIS  122 - QG2   THR   26  19.34 +/- 0.49   0.002% *  0.7126% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2419 (0.58, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.812, support = 3.65, residual support = 14.9:
          QD2   LEU   80 - HB3   TRP   27   3.02 +/- 0.20  86.520% * 67.2289% (0.80   3.79  15.20) =  94.114%  kept
          QD1   LEU   73 - HB3   TRP   27   4.43 +/- 0.37  11.589% * 31.3794% (1.00   1.42  10.05) =   5.884%  kept
          QG1   VAL   83 - HB3   TRP   27   5.80 +/- 0.38   1.874% *  0.0776% (0.18   0.02   0.02) =   0.002%
          QD1   LEU   63 - HB3   TRP   27  14.44 +/- 0.61   0.008% *  0.4428% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   TRP   27  16.18 +/- 0.66   0.004% *  0.2507% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   TRP   27  16.26 +/- 0.55   0.004% *  0.2507% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   TRP   27  18.65 +/- 0.74   0.002% *  0.3699% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 22.9:
        T HA    VAL   24 - HB3   TRP   27   3.41 +/- 0.14  99.801% * 98.9044% (0.76   3.00  22.86) = 100.000%  kept
          HA    VAL   83 - HB3   TRP   27   9.79 +/- 0.35   0.186% *  0.1168% (0.14   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB3   TRP   27  16.48 +/- 0.22   0.008% *  0.8457% (0.98   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB3   TRP   27  18.00 +/- 0.61   0.005% *  0.1331% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2421 (3.77, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.0, residual support = 22.9:
          HA    VAL   24 - HB2   TRP   27   1.97 +/- 0.04 100.000% * 99.1878% (0.97   3.00  22.86) = 100.000%  kept
          HA    LYS+  38 - HB2   TRP   27  16.70 +/- 0.31   0.000% *  0.5487% (0.80   0.02   0.02) =   0.000%
          HA    ALA   61 - HB2   TRP   27  18.69 +/- 0.53   0.000% *  0.0927% (0.14   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB2   TRP   27  22.35 +/- 0.73   0.000% *  0.1709% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 0.98, support = 3.65, residual support = 15.2:
          QD2   LEU   80 - HB2   TRP   27   2.79 +/- 0.09  95.990% * 97.6504% (0.98   3.65  15.20) =  99.986%  kept
          QD1   LEU   73 - HB2   TRP   27   5.43 +/- 0.27   1.861% *  0.4896% (0.90   0.02  10.05) =   0.010%
          QG1   VAL   83 - HB2   TRP   27   5.40 +/- 0.51   2.141% *  0.2049% (0.38   0.02   0.02) =   0.005%
          QD1   LEU   63 - HB2   TRP   27  15.70 +/- 0.56   0.003% *  0.4896% (0.90   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   TRP   27  16.97 +/- 0.47   0.002% *  0.4560% (0.84   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   TRP   27  19.93 +/- 0.71   0.001% *  0.5411% (0.99   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   TRP   27  17.41 +/- 0.64   0.002% *  0.1685% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2423 (0.01, 4.13, 56.27 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 3.26, residual support = 18.3:
          QD1   LEU   31 - HA    ASN   28   2.69 +/- 0.26 100.000% *100.0000% (0.76   3.26  18.30) = 100.000%  kept
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2424 (4.03, 2.16, 36.74 ppm):
    8 chemical-shift based assignments, quality = 0.223, support = 4.93, residual support = 88.3:
      O T HA    GLU-  29 - HG3   GLU-  29   2.76 +/- 0.09  99.896% * 93.7846% (0.22   4.93  88.32) =  99.999%  kept
        T HA    LYS+  33 - HG3   GLU-  29   9.30 +/- 0.57   0.082% *  0.5826% (0.34   0.02   0.02) =   0.001%
          HB2   SER   37 - HG3   GLU-  29  14.43 +/- 0.97   0.005% *  1.6483% (0.97   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLU-  29  12.80 +/- 1.00   0.012% *  0.2635% (0.15   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   GLU-  29  17.67 +/- 0.49   0.002% *  1.1049% (0.65   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLU-  29  15.80 +/- 0.46   0.003% *  0.3380% (0.20   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLU-  29  19.99 +/- 1.09   0.001% *  1.1732% (0.69   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   GLU-  29  31.19 +/- 0.65   0.000% *  1.1049% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2425 (7.19, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.66, residual support = 94.8:
      O   HD1   TRP   27 - HB2   TRP   27   2.70 +/- 0.03  98.491% * 98.5334% (0.98   3.66  94.76) =  99.992%  kept
          HE21  GLN   30 - HB2   TRP   27   6.02 +/- 1.24   1.507% *  0.5075% (0.92   0.02   0.02) =   0.008%
          QD    PHE   59 - HB2   TRP   27  18.49 +/- 0.81   0.001% *  0.5389% (0.98   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   TRP   27  19.21 +/- 0.93   0.001% *  0.4202% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2426 (7.74, 3.56, 30.32 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.16, residual support = 94.8:
      O   HN    TRP   27 - HB2   TRP   27   2.17 +/- 0.07  99.991% * 98.1597% (0.76   5.16  94.76) = 100.000%  kept
          HD1   TRP   87 - HB2   TRP   27  11.65 +/- 0.76   0.005% *  0.4594% (0.92   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   TRP   27  13.55 +/- 0.19   0.002% *  0.2817% (0.57   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   TRP   27  16.64 +/- 0.42   0.001% *  0.4707% (0.95   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   TRP   27  16.79 +/- 0.67   0.000% *  0.2046% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   TRP   27  17.75 +/- 1.07   0.000% *  0.1868% (0.38   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   TRP   27  15.58 +/- 0.91   0.001% *  0.0673% (0.14   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   27  19.04 +/- 0.55   0.000% *  0.1697% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 46.6:
          HN    ASN   28 - HB2   TRP   27   2.71 +/- 0.14  95.796% * 99.5640% (0.92   5.59  46.58) =  99.997%  kept
          HN    GLU-  25 - HB2   TRP   27   4.61 +/- 0.13   4.179% *  0.0595% (0.15   0.02   0.02) =   0.003%
          HN    ASP-  44 - HB2   TRP   27  11.06 +/- 0.47   0.025% *  0.0676% (0.18   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   TRP   27  20.69 +/- 0.35   0.001% *  0.3089% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.777, support = 3.84, residual support = 89.4:
      O   HE3   TRP   27 - HB3   TRP   27   2.57 +/- 0.06  92.613% * 54.6341% (0.76   3.93  94.76) =  94.176%  kept
          HN    THR   23 - HB3   TRP   27   4.01 +/- 0.25   7.071% * 44.2456% (0.98   2.48   2.37) =   5.823%  kept
          HD2   HIS   22 - HB3   TRP   27   6.70 +/- 0.38   0.312% *  0.0811% (0.22   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   TRP   27  14.45 +/- 0.72   0.003% *  0.3608% (0.99   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   27  19.15 +/- 0.48   0.001% *  0.2501% (0.69   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   TRP   27  17.68 +/- 1.45   0.001% *  0.1242% (0.34   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   TRP   27  21.29 +/- 0.67   0.000% *  0.3041% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 0.979, support = 4.08, residual support = 94.6:
      O   HD1   TRP   27 - HB3   TRP   27   3.82 +/- 0.03  74.854% * 98.6860% (0.98   4.09  94.76) =  99.845%  kept
          HE21  GLN   30 - HB3   TRP   27   4.97 +/- 1.11  25.130% *  0.4547% (0.92   0.02   0.02) =   0.154%
          QD    PHE   59 - HB3   TRP   27  17.11 +/- 0.86   0.010% *  0.4828% (0.98   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB3   TRP   27  18.51 +/- 0.86   0.006% *  0.3764% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 5.41, residual support = 94.8:
      O   HN    TRP   27 - HB3   TRP   27   2.83 +/- 0.14  99.957% * 98.2410% (0.76   5.41  94.76) = 100.000%  kept
          HD1   TRP   87 - HB3   TRP   27  11.76 +/- 0.63   0.021% *  0.4391% (0.92   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   TRP   27  13.70 +/- 0.21   0.008% *  0.2693% (0.57   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   TRP   27  16.18 +/- 0.58   0.003% *  0.4499% (0.95   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   TRP   27  16.12 +/- 0.55   0.003% *  0.1955% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   TRP   27  17.47 +/- 1.09   0.002% *  0.1785% (0.38   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   TRP   27  17.34 +/- 0.56   0.002% *  0.1622% (0.34   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   TRP   27  15.98 +/- 0.77   0.003% *  0.0644% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2431 (8.82, 2.99, 30.32 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 6.06, residual support = 46.6:
          HN    ASN   28 - HB3   TRP   27   4.02 +/- 0.06  99.992% * 99.4972% (0.65   6.06  46.58) = 100.000%  kept
          HN    ASN   69 - HB3   TRP   27  19.45 +/- 0.45   0.008% *  0.5028% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 2 structures by 0.23 A, kept.
 
    Peak 2432 (7.88, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.223, support = 3.52, residual support = 18.3:
          HN    LEU   31 - HA    ASN   28   3.09 +/- 0.12  99.927% * 95.0461% (0.22   3.52  18.30) =  99.999%  kept
          HN    LYS+  38 - HA    ASN   28  12.08 +/- 0.22   0.029% *  2.3804% (0.98   0.02   0.02) =   0.001%
          HN    SER   37 - HA    ASN   28  11.28 +/- 0.22   0.043% *  0.4253% (0.18   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ASN   28  24.85 +/- 0.61   0.000% *  1.4730% (0.61   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ASN   28  22.48 +/- 0.50   0.001% *  0.6752% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 4.0, residual support = 6.56:
          HN    GLN   30 - HA    ASN   28   4.09 +/- 0.10  98.097% * 92.7421% (0.18   4.00   6.56) =  99.986%  kept
          HN    ASN   35 - HA    ASN   28   7.99 +/- 0.25   1.837% *  0.5899% (0.22   0.02   0.02) =   0.012%
          HN    LYS+  99 - HA    ASN   28  14.72 +/- 0.79   0.048% *  2.4458% (0.92   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    ASN   28  19.96 +/- 2.31   0.009% *  2.2983% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASN   28  19.85 +/- 1.88   0.009% *  1.9239% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2434 (8.82, 2.93, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 6.8, residual support = 100.4:
      O   HN    ASN   28 - HB2   ASN   28   2.18 +/- 0.05  99.989% * 99.3219% (0.65   6.80 100.40) = 100.000%  kept
          HN    ASN   28 - HB2   ASN   35  10.11 +/- 0.36   0.011% *  0.0909% (0.20   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   35  16.56 +/- 0.63   0.001% *  0.1393% (0.31   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   28  21.95 +/- 0.43   0.000% *  0.4479% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2435 (6.96, 2.73, 38.30 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.84, residual support = 100.4:
      O   HD22  ASN   28 - HB3   ASN   28   4.15 +/- 0.02  99.981% * 99.8676% (0.98   3.84 100.40) = 100.000%  kept
          QE    PHE   72 - HB3   ASN   28  17.26 +/- 0.40   0.019% *  0.1324% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.22 A, kept.
 
    Peak 2436 (7.62, 2.73, 38.30 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.24, residual support = 100.4:
      O   HD21  ASN   28 - HB3   ASN   28   3.55 +/- 0.03  99.924% * 98.5343% (0.87   3.24 100.40) = 100.000%  kept
          HZ2   TRP   87 - HB3   ASN   28  12.97 +/- 1.49   0.058% *  0.6869% (0.98   0.02   0.02) =   0.000%
          QE    PHE   60 - HB3   ASN   28  15.22 +/- 0.40   0.016% *  0.4814% (0.69   0.02   0.02) =   0.000%
          HN    LEU   63 - HB3   ASN   28  23.77 +/- 0.52   0.001% *  0.1747% (0.25   0.02   0.02) =   0.000%
          HN    ILE   56 - HB3   ASN   28  26.33 +/- 0.60   0.001% *  0.1227% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2437 (8.31, 2.73, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.482, support = 5.43, residual support = 30.1:
          HN    GLU-  29 - HB3   ASN   28   3.35 +/- 0.19  93.353% * 47.7519% (0.45   5.62  31.89) =  92.933%  kept
          HN    GLN   30 - HB3   ASN   28   5.22 +/- 0.17   6.626% * 51.1569% (0.92   2.93   6.56) =   7.067%  kept
          HN    ASP-  86 - HB3   ASN   28  15.34 +/- 0.65   0.011% *  0.3285% (0.87   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASN   28  16.76 +/- 0.82   0.006% *  0.2144% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASN   28  20.67 +/- 2.07   0.002% *  0.3033% (0.80   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASN   28  22.48 +/- 2.32   0.001% *  0.2450% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 100.4:
      O   HN    ASN   28 - HB3   ASN   28   3.46 +/- 0.04  98.200% * 99.6311% (0.92   6.61 100.40) =  99.999%  kept
          HN    GLU-  25 - HB3   ASN   28   6.77 +/- 0.19   1.785% *  0.0504% (0.15   0.02   4.32) =   0.001%
          HN    ASP-  44 - HB3   ASN   28  15.42 +/- 0.44   0.013% *  0.0572% (0.18   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   ASN   28  21.57 +/- 0.51   0.002% *  0.2614% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2439 (8.33, 2.93, 38.30 ppm):
    10 chemical-shift based assignments, quality = 0.362, support = 0.0193, residual support = 6.32:
          HN    GLN   30 - HB2   ASN   28   5.10 +/- 0.18  92.776% *  7.8959% (0.38   0.02   6.56) =  96.354%  kept
          HN    GLN   30 - HB2   ASN   35   8.32 +/- 0.25   5.083% *  2.4562% (0.12   0.02   0.02) =   1.642%
          HN    LYS+  99 - HB2   ASN   35  10.21 +/- 0.91   1.714% *  6.5298% (0.31   0.02   0.02) =   1.472%
          HN    ASP-  86 - HB2   ASN   28  14.33 +/- 0.64   0.196% *  6.4934% (0.31   0.02   0.02) =   0.168%
          HN    LYS+  99 - HB2   ASN   28  17.67 +/- 0.83   0.058% * 20.9915% (1.00   0.02   0.02) =   0.159%
          HE1   HIS  122 - HB2   ASN   35  17.53 +/- 2.88   0.080% *  6.5298% (0.31   0.02   0.02) =   0.069%
          HN    GLU-  14 - HB2   ASN   28  20.51 +/- 2.06   0.026% * 19.9013% (0.95   0.02   0.02) =   0.067%
          HE1   HIS  122 - HB2   ASN   28  22.78 +/- 2.24   0.013% * 20.9915% (1.00   0.02   0.02) =   0.037%
          HN    GLU-  14 - HB2   ASN   35  19.93 +/- 2.09   0.032% *  6.1907% (0.29   0.02   0.02) =   0.026%
          HN    ASP-  86 - HB2   ASN   35  20.56 +/- 0.71   0.022% *  2.0199% (0.10   0.02   0.02) =   0.006%
    Distance limit 3.26 A violated in 20 structures by 1.83 A, eliminated.
    Peak unassigned.
 
    Peak 2440 (7.62, 2.93, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 3.3, residual support = 100.4:
      O   HD21  ASN   28 - HB2   ASN   28   2.49 +/- 0.12  99.963% * 97.6118% (0.61   3.30 100.40) = 100.000%  kept
          HZ2   TRP   87 - HB2   ASN   28  12.65 +/- 1.43   0.008% *  0.7809% (0.80   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASN   35  10.36 +/- 0.49   0.022% *  0.1840% (0.19   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   28  14.85 +/- 0.41   0.002% *  0.9003% (0.92   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   35  14.18 +/- 0.36   0.003% *  0.2800% (0.29   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASN   35  16.14 +/- 1.28   0.002% *  0.2429% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2441 (8.33, 4.00, 59.66 ppm):
    15 chemical-shift based assignments, quality = 0.486, support = 5.65, residual support = 17.9:
      O   HN    GLN   30 - HA    GLU-  29   3.58 +/- 0.03  96.471% * 96.3030% (0.49   5.65  17.88) =  99.997%  kept
          HN    GLN   30 - HA    GLN   32   6.88 +/- 0.10   1.914% *  0.0764% (0.11   0.02   1.51) =   0.002%
          HN    GLN   30 - HA    LYS+  33   7.22 +/- 0.19   1.446% *  0.0936% (0.13   0.02   0.79) =   0.001%
          HN    LYS+  99 - HA    GLN   32  12.44 +/- 0.85   0.061% *  0.1515% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  17.25 +/- 2.16   0.010% *  0.6947% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  13.73 +/- 0.64   0.032% *  0.1855% (0.26   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  17.14 +/- 0.83   0.008% *  0.6764% (0.96   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  15.10 +/- 2.27   0.029% *  0.1905% (0.27   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  21.97 +/- 2.15   0.002% *  0.6947% (0.99   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  18.58 +/- 0.54   0.005% *  0.2882% (0.41   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  18.55 +/- 2.04   0.006% *  0.1905% (0.27   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  19.19 +/- 2.67   0.005% *  0.1556% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  19.26 +/- 2.20   0.005% *  0.1556% (0.22   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  20.14 +/- 0.64   0.003% *  0.0645% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  23.35 +/- 0.61   0.001% *  0.0790% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 20 structures by 0.38 A, eliminated.
    Peak unassigned.
 
    Peak 2442 (8.31, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.561, support = 5.72, residual support = 66.5:
      O   HN    GLU-  29 - HB2   GLU-  29   2.28 +/- 0.08  82.668% * 31.6400% (0.41   5.76  88.32) =  69.076%  kept
          HN    GLN   30 - HB2   GLU-  29   2.98 +/- 0.29  17.330% * 67.5679% (0.90   5.64  17.88) =  30.924%  kept
          HN    GLU-  14 - HB2   GLU-  29  15.86 +/- 2.01   0.001% *  0.2232% (0.84   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLU-  29  17.94 +/- 0.45   0.000% *  0.2232% (0.84   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  29  18.38 +/- 0.74   0.000% *  0.1621% (0.61   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  29  21.96 +/- 1.76   0.000% *  0.1836% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.698, support = 5.12, residual support = 46.7:
          HN    GLN   30 - HB3   GLU-  29   3.55 +/- 0.20  45.401% * 62.4847% (0.90   4.62  17.88) =  59.081%  kept
      O   HN    GLU-  29 - HB3   GLU-  29   3.45 +/- 0.24  54.243% * 36.2220% (0.41   5.84  88.32) =  40.919%  kept
          HN    GLN   30 - QB    GLU-  36   8.90 +/- 0.19   0.194% *  0.0838% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  36   9.83 +/- 0.22   0.108% *  0.0384% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   GLU-  29  15.11 +/- 2.05   0.011% *  0.2520% (0.84   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    GLU-  36  12.58 +/- 0.56   0.026% *  0.0567% (0.19   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    GLU-  36  15.98 +/- 2.11   0.008% *  0.0781% (0.26   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  29  18.35 +/- 0.72   0.003% *  0.1830% (0.61   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  29  19.48 +/- 0.50   0.002% *  0.2520% (0.84   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    GLU-  36  18.13 +/- 2.12   0.003% *  0.0642% (0.21   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  29  22.02 +/- 1.79   0.001% *  0.2072% (0.69   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    GLU-  36  22.36 +/- 0.54   0.001% *  0.0781% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2444 (2.44, 2.15, 30.32 ppm):
    16 chemical-shift based assignments, quality = 0.949, support = 4.36, residual support = 88.1:
      O T HG2   GLU-  29 - HB3   GLU-  29   2.51 +/- 0.05  47.401% * 94.0228% (0.99   4.36  88.32) =  95.590%  kept
      O T HG2   GLU-  36 - QB    GLU-  36   2.47 +/- 0.08  52.562% *  3.9119% (0.04   4.29  82.76) =   4.410%  kept
        T HG2   GLU-  29 - QB    GLU-  36   9.04 +/- 0.47   0.023% *  0.1336% (0.31   0.02   0.02) =   0.000%
        T HG2   GLU-  36 - HB3   GLU-  29  10.45 +/- 1.28   0.012% *  0.0589% (0.14   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB3   GLU-  29  18.78 +/- 0.84   0.000% *  0.4312% (0.99   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB3   GLU-  29  19.24 +/- 0.39   0.000% *  0.2463% (0.57   0.02   0.02) =   0.000%
          HG3   MET   96 - HB3   GLU-  29  17.70 +/- 0.76   0.000% *  0.1210% (0.28   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    GLU-  36  15.66 +/- 0.59   0.001% *  0.0375% (0.09   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    GLU-  36  21.09 +/- 0.65   0.000% *  0.1336% (0.31   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   GLU-  29  25.13 +/- 0.60   0.000% *  0.2989% (0.69   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLU-  36  21.17 +/- 0.42   0.000% *  0.0763% (0.18   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB3   GLU-  29  26.30 +/- 0.73   0.000% *  0.2463% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    GLU-  36  23.91 +/- 0.44   0.000% *  0.0926% (0.21   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  29  23.88 +/- 0.92   0.000% *  0.0861% (0.20   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLU-  36  25.34 +/- 0.45   0.000% *  0.0763% (0.18   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLU-  36  22.25 +/- 0.66   0.000% *  0.0267% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 0.59, residual support = 0.79:
          QD    LYS+  33 - HA    GLN   30   3.92 +/- 0.36  99.934% * 90.0716% (0.95   0.59   0.79) =  99.999%  kept
          HD2   LYS+  74 - HA    GLN   30  14.26 +/- 0.44   0.049% *  1.2116% (0.38   0.02   0.02) =   0.001%
          QB    ALA   57 - HA    GLN   30  17.80 +/- 0.46   0.013% *  2.2175% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLN   30  25.95 +/- 0.72   0.001% *  3.0538% (0.95   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   30  25.70 +/- 0.95   0.002% *  1.1012% (0.34   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    GLN   30  29.61 +/- 0.71   0.001% *  2.3442% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 6 structures by 0.20 A, kept.
 
    Peak 2446 (0.83, 3.84, 58.37 ppm):
    5 chemical-shift based assignments, quality = 0.154, support = 0.02, residual support = 0.02:
          QD1   LEU   71 - HA    GLN   30   4.00 +/- 0.45  99.967% *  8.2693% (0.15   0.02   0.02) =  99.914%  kept
          HB3   LEU  104 - HA    GLN   30  18.28 +/- 0.51   0.014% * 22.0331% (0.41   0.02   0.02) =   0.036%
          QD2   LEU  123 - HA    GLN   30  20.88 +/- 0.78   0.006% * 48.0646% (0.90   0.02   0.02) =   0.034%
          QD1   LEU  123 - HA    GLN   30  19.01 +/- 0.74   0.010% *  8.2693% (0.15   0.02   0.02) =   0.010%
          HG3   LYS+ 121 - HA    GLN   30  22.98 +/- 0.58   0.003% * 13.3638% (0.25   0.02   0.02) =   0.005%
    Distance limit 4.02 A violated in 6 structures by 0.19 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 = 160.1:
      O   HN    GLN   30 - HA    GLN   30   2.84 +/- 0.01  97.583% * 98.9885% (0.98   6.34 160.10) =  99.995%  kept
          HN    GLU-  29 - HA    GLN   30   5.27 +/- 0.04   2.398% *  0.1805% (0.57   0.02  17.88) =   0.004%
          HN    GLU-  14 - HA    GLN   30  13.93 +/- 1.97   0.011% *  0.2189% (0.69   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   30  14.69 +/- 0.65   0.005% *  0.1429% (0.45   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   30  18.03 +/- 1.91   0.002% *  0.1677% (0.53   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   30  19.74 +/- 0.53   0.001% *  0.3015% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 6.5, residual support = 160.1:
      O   HN    GLN   30 - HB2   GLN   30   3.56 +/- 0.04  96.793% * 99.0139% (0.98   6.50 160.10) =  99.994%  kept
          HN    GLU-  29 - HB2   GLN   30   6.30 +/- 0.08   3.123% *  0.1759% (0.57   0.02  17.88) =   0.006%
          HN    GLU-  14 - HB2   GLN   30  13.81 +/- 1.61   0.038% *  0.2134% (0.69   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLN   30  13.80 +/- 0.63   0.029% *  0.1393% (0.45   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLN   30  16.20 +/- 1.82   0.013% *  0.1635% (0.53   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLN   30  18.84 +/- 0.72   0.004% *  0.2939% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 6.75, residual support = 160.1:
      O   HN    GLN   30 - HB3   GLN   30   2.55 +/- 0.20  98.504% * 98.4022% (0.65   6.75 160.10) =  99.999%  kept
          HN    GLU-  29 - HB3   GLN   30   5.14 +/- 0.24   1.486% *  0.0892% (0.20   0.02  17.88) =   0.001%
          HN    LYS+  99 - HB3   GLN   30  13.94 +/- 0.68   0.004% *  0.3909% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   GLN   30  15.19 +/- 1.56   0.003% *  0.4466% (0.99   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLN   30  16.84 +/- 1.76   0.001% *  0.4160% (0.92   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLN   30  17.25 +/- 0.63   0.001% *  0.2551% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2450 (8.32, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 7.27, residual support = 160.1:
          HN    GLN   30 - HG2   GLN   30   2.41 +/- 0.56  97.679% * 98.5145% (0.65   7.27 160.10) =  99.998%  kept
          HN    GLU-  29 - HG2   GLN   30   4.55 +/- 0.62   2.310% *  0.0829% (0.20   0.02  17.88) =   0.002%
          HN    GLU-  14 - HG2   GLN   30  13.81 +/- 1.66   0.007% *  0.4152% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   GLN   30  16.37 +/- 0.61   0.002% *  0.3634% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   GLN   30  18.82 +/- 1.71   0.001% *  0.3867% (0.92   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG2   GLN   30  18.30 +/- 0.63   0.001% *  0.2372% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2451 (7.19, 2.73, 33.78 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.49, residual support = 160.1:
      O   HE21  GLN   30 - HG2   GLN   30   3.37 +/- 0.36  99.184% * 98.6398% (0.87   4.49 160.10) =  99.996%  kept
          HD1   TRP   27 - HG2   GLN   30   7.74 +/- 0.57   0.810% *  0.5059% (1.00   0.02   0.02) =   0.004%
          QD    PHE   59 - HG2   GLN   30  18.14 +/- 0.63   0.005% *  0.5059% (1.00   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG2   GLN   30  23.86 +/- 0.81   0.001% *  0.3483% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2452 (7.19, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 3.62, residual support = 160.1:
      O   HE21  GLN   30 - HG3   GLN   30   3.30 +/- 0.56  97.808% * 97.7126% (0.87   3.62 160.10) =  99.995%  kept
          HD1   TRP   27 - HG3   GLN   30   8.53 +/- 0.83   0.435% *  0.6214% (1.00   0.02   0.02) =   0.003%
          QD    PHE   59 - HB2   LYS+ 111   7.55 +/- 0.31   0.977% *  0.1249% (0.20   0.02   0.02) =   0.001%
          QD    PHE   59 - HB2   PRO   93   8.18 +/- 0.32   0.592% *  0.0484% (0.08   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   PRO   93  10.51 +/- 0.99   0.161% *  0.0333% (0.05   0.02   0.02) =   0.000%
          QD    PHE   59 - HG3   GLN   30  17.64 +/- 0.86   0.006% *  0.6214% (1.00   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   LYS+ 111  18.74 +/- 1.45   0.005% *  0.0860% (0.14   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG3   GLN   30  24.11 +/- 0.97   0.001% *  0.4278% (0.69   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   PRO   93  17.33 +/- 1.19   0.008% *  0.0421% (0.07   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   PRO   93  18.23 +/- 0.88   0.006% *  0.0484% (0.08   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   LYS+ 111  24.08 +/- 1.09   0.001% *  0.1086% (0.17   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 111  25.11 +/- 0.67   0.001% *  0.1249% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 4 structures by 0.08 A, kept.
 
    Peak 2453 (8.32, 2.03, 33.78 ppm):
    18 chemical-shift based assignments, quality = 0.647, support = 6.16, residual support = 160.1:
          HN    GLN   30 - HG3   GLN   30   3.24 +/- 0.61  95.979% * 97.6897% (0.65   6.16 160.10) =  99.996%  kept
          HN    GLU-  29 - HG3   GLN   30   5.54 +/- 0.73   3.914% *  0.0970% (0.20   0.02  17.88) =   0.004%
          HN    GLU-  14 - HG3   GLN   30  13.06 +/- 2.08   0.054% *  0.4856% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   GLN   30  16.11 +/- 0.60   0.009% *  0.4250% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   GLN   30  18.14 +/- 1.74   0.005% *  0.4523% (0.92   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   LYS+ 111  15.16 +/- 0.61   0.012% *  0.0909% (0.19   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   GLN   30  18.99 +/- 0.88   0.003% *  0.2774% (0.57   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   PRO   93  16.59 +/- 0.59   0.007% *  0.0352% (0.07   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   LYS+ 111  20.22 +/- 0.64   0.002% *  0.0854% (0.17   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   PRO   93  17.13 +/- 0.43   0.006% *  0.0216% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   PRO   93  20.40 +/- 0.39   0.002% *  0.0331% (0.07   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   PRO   93  20.57 +/- 0.80   0.002% *  0.0247% (0.05   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   LYS+ 111  24.42 +/- 0.61   0.001% *  0.0558% (0.11   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   LYS+ 111  27.18 +/- 0.68   0.000% *  0.0637% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   PRO   93  26.54 +/- 1.36   0.000% *  0.0378% (0.08   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+ 111  32.28 +/- 1.07   0.000% *  0.0976% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   PRO   93  21.88 +/- 0.75   0.001% *  0.0076% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   LYS+ 111  28.90 +/- 0.69   0.000% *  0.0195% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2454 (0.81, 1.89, 28.09 ppm):
    5 chemical-shift based assignments, quality = 0.176, support = 4.64, residual support = 40.4:
          HG    LEU   31 - HB3   GLN   30   4.26 +/- 0.40  40.975% * 79.6990% (0.15   5.81  51.12) =  76.906%  kept
          QD2   LEU   73 - HB3   GLN   30   3.88 +/- 1.05  59.016% * 16.6164% (0.25   0.75   4.91) =  23.094%  kept
        T QD1   ILE   56 - HB3   GLN   30  18.11 +/- 0.45   0.005% *  0.8650% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB3   GLN   30  21.52 +/- 0.70   0.002% *  1.7418% (0.98   0.02   0.02) =   0.000%
          QD2   LEU  123 - HB3   GLN   30  20.17 +/- 0.92   0.002% *  1.0778% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2455 (0.59, 1.89, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.11, residual support = 4.91:
          QD1   LEU   73 - HB3   GLN   30   2.35 +/- 0.31  99.803% * 96.8287% (0.87   3.11   4.91) =  99.999%  kept
          QD2   LEU   80 - HB3   GLN   30   7.40 +/- 0.37   0.155% *  0.7123% (0.99   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB3   GLN   30   9.58 +/- 0.59   0.033% *  0.2954% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB3   GLN   30  13.27 +/- 0.68   0.004% *  0.6234% (0.87   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   GLN   30  13.55 +/- 0.54   0.003% *  0.6234% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   GLN   30  14.43 +/- 0.84   0.002% *  0.1998% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   GLN   30  18.22 +/- 0.75   0.001% *  0.7171% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2456 (0.82, 2.04, 28.09 ppm):
    3 chemical-shift based assignments, quality = 0.773, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - HB2   GLN   30  19.38 +/- 0.76  33.005% * 54.6388% (0.97   0.02   0.02) =  61.789%  kept
          HG3   LYS+ 121 - HB2   GLN   30  21.21 +/- 0.54  19.002% * 36.6255% (0.65   0.02   0.02) =  23.846%  kept
          QD1   ILE   56 - HB2   GLN   30  18.16 +/- 0.52  47.993% *  8.7356% (0.15   0.02   0.02) =  14.365%  kept
    Distance limit 3.52 A violated in 20 structures by 12.53 A, eliminated.
    Peak unassigned.
 
    Peak 2457 (0.59, 2.04, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 1.51, residual support = 4.91:
          QD1   LEU   73 - HB2   GLN   30   2.65 +/- 0.43  99.845% * 93.6749% (0.87   1.51   4.91) =  99.998%  kept
          QD2   LEU   80 - HB2   GLN   30   8.68 +/- 0.41   0.099% *  1.4206% (0.99   0.02   0.02) =   0.002%
          QG1   VAL   83 - HB2   GLN   30  10.91 +/- 0.65   0.025% *  0.5893% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   GLN   30  12.90 +/- 0.59   0.011% *  1.2433% (0.87   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   GLN   30  13.10 +/- 0.49   0.010% *  1.2433% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   GLN   30  13.87 +/- 0.79   0.008% *  0.3985% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   GLN   30  17.98 +/- 0.72   0.002% *  1.4301% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2458 (3.85, 2.03, 33.78 ppm):
    27 chemical-shift based assignments, quality = 0.647, support = 4.73, residual support = 160.1:
      O T HA    GLN   30 - HG3   GLN   30   2.84 +/- 0.40  95.024% * 95.8871% (0.65   4.73 160.10) =  99.998%  kept
        T HD3   PRO   52 - HB2   PRO   93   6.37 +/- 0.91   1.663% *  0.0354% (0.06   0.02   0.02) =   0.001%
          HB2   CYS   53 - HB2   PRO   93   5.32 +/- 0.59   2.760% *  0.0122% (0.02   0.02   0.02) =   0.000%
          HB3   SER   37 - HG3   GLN   30  10.31 +/- 0.81   0.047% *  0.3798% (0.61   0.02   0.02) =   0.000%
          HB    THR   39 - HG3   GLN   30  11.10 +/- 1.15   0.037% *  0.4786% (0.76   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   LYS+ 111   7.57 +/- 0.56   0.373% *  0.0314% (0.05   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   GLN   30  13.48 +/- 2.07   0.017% *  0.5015% (0.80   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   GLN   30  14.66 +/- 0.88   0.008% *  0.6207% (0.99   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   LYS+ 111  13.69 +/- 0.70   0.010% *  0.0914% (0.15   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   PRO   93  11.47 +/- 0.40   0.027% *  0.0296% (0.05   0.02   0.02) =   0.000%
          HA    ILE   89 - HG3   GLN   30  20.91 +/- 0.98   0.001% *  0.3798% (0.61   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   PRO   93  12.21 +/- 0.26   0.020% *  0.0122% (0.02   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   LYS+ 111  14.43 +/- 0.42   0.007% *  0.0314% (0.05   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   GLN   30  24.60 +/- 1.10   0.000% *  0.4548% (0.73   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLN   30  20.81 +/- 0.89   0.001% *  0.1562% (0.25   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   LYS+ 111  18.48 +/- 0.53   0.002% *  0.0763% (0.12   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   GLN   30  22.07 +/- 0.73   0.001% *  0.1562% (0.25   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   PRO   93  18.70 +/- 0.54   0.001% *  0.0484% (0.08   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   LYS+ 111  25.28 +/- 0.78   0.000% *  0.0962% (0.15   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   LYS+ 111  26.78 +/- 0.86   0.000% *  0.1248% (0.20   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   PRO   93  21.44 +/- 0.91   0.001% *  0.0316% (0.05   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   PRO   93  22.90 +/- 0.94   0.000% *  0.0373% (0.06   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   LYS+ 111  27.42 +/- 0.72   0.000% *  0.0814% (0.13   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   LYS+ 111  27.77 +/- 0.74   0.000% *  0.0763% (0.12   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   PRO   93  25.18 +/- 1.06   0.000% *  0.0391% (0.06   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   LYS+ 111  29.80 +/- 1.29   0.000% *  0.1008% (0.16   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   PRO   93  24.70 +/- 0.78   0.000% *  0.0296% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 1.62, residual support = 16.6:
          HZ2   TRP   27 - QD1   LEU   31   2.40 +/- 0.19  99.996% * 99.7811% (0.87   1.62  16.57) = 100.000%  kept
          HZ    PHE   72 - QD1   LEU   31  13.41 +/- 0.30   0.004% *  0.2189% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2460 (7.60, 0.00, 23.44 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 0.474, residual support = 18.3:
          HD21  ASN   28 - QD1   LEU   31   3.87 +/- 0.11  97.749% * 88.1991% (0.92   0.47  18.30) =  99.939%  kept
          HZ2   TRP   87 - QD1   LEU   31   8.31 +/- 0.97   1.446% *  3.0787% (0.76   0.02   0.02) =   0.052%
          QE    PHE   60 - QD1   LEU   31   9.50 +/- 0.25   0.464% *  0.7972% (0.20   0.02   0.02) =   0.004%
          HN    ALA   84 - QD1   LEU   31  10.21 +/- 0.44   0.303% *  1.1201% (0.28   0.02   0.02) =   0.004%
          HN    LEU   63 - QD1   LEU   31  16.25 +/- 0.28   0.018% *  3.0787% (0.76   0.02   0.02) =   0.001%
          HN    ILE   56 - QD1   LEU   31  18.23 +/- 0.41   0.009% *  2.6061% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   31  17.86 +/- 0.32   0.010% *  1.1201% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2461 (7.82, 0.00, 23.44 ppm):
    3 chemical-shift based assignments, quality = 0.67, support = 0.02, residual support = 0.02:
          HN    ALA   88 - QD1   LEU   31  13.88 +/- 0.69  28.002% * 52.6698% (0.97   0.02   0.02) =  51.810%  kept
          HN    ASP- 105 - QD1   LEU   31  11.85 +/- 0.49  68.883% * 18.6164% (0.34   0.02   0.02) =  45.048%  kept
          HN    PHE   55 - QD1   LEU   31  19.85 +/- 0.41   3.115% * 28.7138% (0.53   0.02   0.02) =   3.142%  kept
    Distance limit 4.28 A violated in 20 structures by 6.83 A, eliminated.
    Peak unassigned.
 
    Peak 2462 (7.86, 0.79, 27.16 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 7.62, residual support = 227.4:
          HN    LEU   31 - HG    LEU   31   2.45 +/- 0.55  99.951% * 99.1330% (0.67   7.62 227.41) = 100.000%  kept
          HN    LYS+  38 - HG    LEU   31  10.96 +/- 0.64   0.047% *  0.2014% (0.52   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG    LEU   31  20.61 +/- 0.81   0.001% *  0.2793% (0.72   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG    LEU   31  23.51 +/- 0.50   0.000% *  0.3086% (0.79   0.02   0.02) =   0.000%
          HN    PHE   55 - HG    LEU   31  24.07 +/- 0.60   0.000% *  0.0776% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 1 structures by 0.04 A, kept.
 
    Peak 2463 (7.88, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.14, residual support = 227.4:
      O   HN    LEU   31 - HB3   LEU   31   3.51 +/- 0.02  99.623% * 98.2478% (0.34   7.14 227.41) =  99.997%  kept
          HN    LYS+  38 - HB3   LEU   31   8.93 +/- 0.30   0.374% *  0.8045% (1.00   0.02   0.02) =   0.003%
          HN    ASP-  62 - HB3   LEU   31  21.23 +/- 0.54   0.002% *  0.3315% (0.41   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB3   LEU   31  25.00 +/- 0.68   0.001% *  0.6162% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2464 (8.07, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.91, residual support = 44.7:
          HN    GLN   32 - HB3   LEU   31   3.70 +/- 0.18  89.640% * 98.9383% (0.76   5.91  44.70) =  99.957%  kept
          HN    ALA   34 - HB3   LEU   31   5.34 +/- 0.12  10.326% *  0.3659% (0.84   0.02   3.88) =   0.043%
          HN    LEU   80 - HB3   LEU   31  14.72 +/- 0.38   0.023% *  0.3181% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   LEU   31  17.01 +/- 0.50   0.010% *  0.1644% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   LEU   31  24.24 +/- 0.70   0.001% *  0.2132% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2465 (4.14, 1.33, 40.94 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 2.55, residual support = 18.3:
        T HA    ASN   28 - HB2   LEU   31   2.58 +/- 0.50  99.572% * 94.9330% (0.73   2.55  18.30) =  99.996%  kept
        T HA    ALA   34 - HB2   LEU   31   8.12 +/- 0.17   0.184% *  0.9201% (0.90   0.02   3.88) =   0.002%
          HA1   GLY  101 - HB2   LEU   31   9.84 +/- 1.77   0.123% *  1.0169% (0.99   0.02   0.02) =   0.001%
          HA    THR   26 - HB2   LEU   31   8.23 +/- 0.43   0.119% *  0.7841% (0.76   0.02   0.02) =   0.001%
          HA    LEU  115 - HB2   LEU   31  23.01 +/- 0.71   0.000% *  0.7841% (0.76   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   LEU   31  26.64 +/- 0.86   0.000% *  1.0169% (0.99   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   LEU   31  22.76 +/- 0.68   0.000% *  0.1583% (0.15   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   LEU   31  24.83 +/- 0.71   0.000% *  0.2284% (0.22   0.02   0.02) =   0.000%
        T HA    ALA  124 - HB2   LEU   31  27.96 +/- 0.89   0.000% *  0.1583% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2467 (7.88, 1.33, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.14, residual support = 227.4:
      O   HN    LEU   31 - HB2   LEU   31   2.58 +/- 0.21  99.955% * 98.2478% (0.34   7.14 227.41) = 100.000%  kept
          HN    LYS+  38 - HB2   LEU   31   9.65 +/- 0.34   0.044% *  0.8045% (1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   LEU   31  21.99 +/- 0.46   0.000% *  0.3315% (0.41   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   LEU   31  25.47 +/- 0.50   0.000% *  0.6162% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2468 (8.07, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.91, residual support = 44.7:
          HN    GLN   32 - HB2   LEU   31   2.59 +/- 0.15  98.979% * 98.9383% (0.76   5.91  44.70) =  99.996%  kept
          HN    ALA   34 - HB2   LEU   31   5.59 +/- 0.13   1.015% *  0.3659% (0.84   0.02   3.88) =   0.004%
          HN    LEU   80 - HB2   LEU   31  14.13 +/- 0.43   0.004% *  0.3181% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   LEU   31  16.75 +/- 0.43   0.001% *  0.1644% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   LEU   31  24.74 +/- 0.57   0.000% *  0.2132% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 7.01, residual support = 227.4:
      O   HN    LEU   31 - HA    LEU   31   2.75 +/- 0.01  99.814% * 98.2139% (0.34   7.01 227.41) =  99.998%  kept
          HN    LYS+  38 - HA    LEU   31   7.87 +/- 0.25   0.185% *  0.8201% (1.00   0.02   0.02) =   0.002%
          HN    ASP-  62 - HA    LEU   31  19.49 +/- 0.41   0.001% *  0.3379% (0.41   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU   31  24.09 +/- 0.49   0.000% *  0.6281% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.784, support = 4.56, residual support = 33.6:
      O   HN    GLN   32 - HA    LEU   31   3.62 +/- 0.01  40.257% * 79.3528% (0.76   5.78  44.70) =  72.707%  kept
          HN    ALA   34 - HA    LEU   31   3.39 +/- 0.11  59.732% * 20.0762% (0.84   1.34   3.88) =  27.293%  kept
          HN    LEU   80 - HA    LEU   31  14.91 +/- 0.39   0.008% *  0.2611% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LEU   31  18.13 +/- 0.45   0.003% *  0.1349% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    LEU   31  23.58 +/- 0.54   0.001% *  0.1750% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.487, support = 1.22, residual support = 3.24:
          QD1   LEU   73 - HA    LEU   31   3.61 +/- 0.15  99.091% * 87.6997% (0.49   1.22   3.24) =  99.975%  kept
          QD2   LEU   80 - HA    LEU   31   8.86 +/- 0.27   0.477% *  2.5530% (0.87   0.02   0.02) =   0.014%
          QG1   VAL   83 - HA    LEU   31   9.96 +/- 0.60   0.248% *  2.3567% (0.80   0.02   0.02) =   0.007%
          QD1   LEU  104 - HA    LEU   31  11.43 +/- 0.56   0.108% *  2.9171% (0.99   0.02   0.02) =   0.004%
          QD1   LEU   63 - HA    LEU   31  13.28 +/- 0.57   0.042% *  1.4326% (0.49   0.02   0.02) =   0.001%
          QG2   ILE   89 - HA    LEU   31  14.34 +/- 0.88   0.028% *  0.5825% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU   31  18.36 +/- 0.75   0.006% *  2.4584% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2472 (7.73, 0.08, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.526, support = 3.02, residual support = 13.7:
          HD1   TRP   87 - QG2   VAL   83   2.54 +/- 0.46  99.330% * 95.4289% (0.53   3.03  13.65) =  99.995%  kept
          HE3   TRP   87 - QG2   VAL   83   6.51 +/- 0.55   0.393% *  0.5376% (0.45   0.02  13.65) =   0.002%
          HN    TRP   27 - QG2   VAL   83   8.64 +/- 0.58   0.128% *  1.1992% (1.00   0.02   0.02) =   0.002%
          HN    ALA   91 - QG2   VAL   83   8.23 +/- 0.48   0.143% *  1.0016% (0.84   0.02   0.02) =   0.002%
          HN    ALA   61 - QG2   VAL   83  16.25 +/- 0.40   0.003% *  0.9164% (0.76   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   VAL   83  17.59 +/- 0.38   0.001% *  0.6789% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   VAL   83  15.93 +/- 0.67   0.002% *  0.2373% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2473 (6.72, 0.08, 62.25 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - QG2   VAL   83  16.53 +/- 0.42 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.18 A violated in 20 structures by 13.35 A, eliminated.
    Peak unassigned.
 
    Peak 2474 (7.17, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.454, support = 0.0196, residual support = 0.0196:
          QD    PHE   59 - QG2   VAL   42   6.69 +/- 0.40  80.949% * 17.5479% (0.39   0.02   0.02) =  72.080%  kept
          HE21  GLN   30 - QG2   VAL   42   9.20 +/- 1.37  16.963% * 30.1124% (0.67   0.02   0.02) =  25.920%  kept
          HD1   TRP   27 - QG2   VAL   42  12.51 +/- 0.58   1.928% * 17.5479% (0.39   0.02   0.02) =   1.717%
          HH2   TRP   49 - QG2   VAL   42  19.01 +/- 1.12   0.160% * 34.7918% (0.77   0.02   0.02) =   0.283%
    Distance limit 3.38 A violated in 20 structures by 3.08 A, eliminated.
    Peak unassigned.
 
    Peak 2475 (0.98, 0.15, 20.83 ppm):
    8 chemical-shift based assignments, quality = 0.792, support = 0.321, residual support = 1.76:
          QD2   LEU   40 - QG2   VAL   42   3.34 +/- 1.15  54.192% * 78.6711% (0.79   0.34   1.85) =  95.345%  kept
          QD1   LEU   67 - QG2   VAL   42   3.40 +/- 0.57  42.089% *  4.7226% (0.80   0.02   0.02) =   4.445%  kept
          QD2   LEU   71 - QG2   VAL   42   6.42 +/- 0.64   2.308% *  2.3038% (0.39   0.02   2.45) =   0.119%
          QG2   ILE  103 - QG2   VAL   42   7.31 +/- 0.97   0.326% *  4.6912% (0.79   0.02   0.02) =   0.034%
          HG3   LYS+  74 - QG2   VAL   42   9.69 +/- 1.32   0.265% *  4.4773% (0.76   0.02   0.02) =   0.027%
        T HB    VAL   75 - QG2   VAL   42   9.22 +/- 1.00   0.288% *  2.3038% (0.39   0.02   0.02) =   0.015%
          QG2   ILE  119 - QG2   VAL   42   7.76 +/- 0.60   0.337% *  1.0537% (0.18   0.02   0.02) =   0.008%
          QD1   ILE  103 - QG2   VAL   42   8.12 +/- 0.71   0.196% *  1.7764% (0.30   0.02   0.02) =   0.008%
    Distance limit 3.08 A violated in 7 structures by 0.18 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2476 (6.75, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.14, residual support = 16.6:
        T HZ2   TRP   27 - QD2   LEU   31   3.07 +/- 0.23  75.314% * 99.9673% (0.99   4.14  16.57) =  99.989%  kept
        T HZ2   TRP   27 - QG2   VAL   43   3.75 +/- 0.33  24.686% *  0.0327% (0.07   0.02   8.54) =   0.011%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2477 (6.64, 0.07, 21.81 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.2, residual support = 51.1:
          HE22  GLN   30 - QD2   LEU   31   3.95 +/- 0.11  88.644% * 99.1233% (0.90   3.20  51.12) =  99.994%  kept
          HE22  GLN   30 - QG2   VAL   43   5.78 +/- 0.72  11.160% *  0.0419% (0.06   0.02   0.02) =   0.005%
          HD22  ASN   69 - QD2   LEU   31  13.92 +/- 1.13   0.053% *  0.4462% (0.65   0.02   0.02) =   0.000%
          HN    TRP   49 - QD2   LEU   31  16.93 +/- 0.42   0.015% *  0.3357% (0.49   0.02   0.02) =   0.000%
          HN    TRP   49 - QG2   VAL   43  12.57 +/- 0.24   0.087% *  0.0227% (0.03   0.02   0.02) =   0.000%
          HD22  ASN   69 - QG2   VAL   43  14.29 +/- 0.81   0.042% *  0.0302% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 1 structures by 0.11 A, kept.
 
    Peak 2478 (4.68, 0.06, 21.48 ppm):
    6 chemical-shift based assignments, quality = 0.499, support = 3.0, residual support = 60.0:
      O T HA    VAL   43 - QG2   VAL   43   2.35 +/- 0.08  99.615% * 97.5800% (0.50   3.00  60.03) =  99.999%  kept
          HA    HIS   22 - QG2   VAL   43   8.07 +/- 0.43   0.066% *  0.8879% (0.68   0.02   0.02) =   0.001%
        T HA    VAL   43 - QD2   LEU   31   6.28 +/- 0.23   0.280% *  0.1867% (0.14   0.02   0.02) =   0.001%
          HA    HIS   22 - QD2   LEU   31   9.01 +/- 0.25   0.033% *  0.2548% (0.20   0.02   0.02) =   0.000%
          HA    ASN   69 - QG2   VAL   43  14.01 +/- 0.19   0.002% *  0.8475% (0.65   0.02   0.02) =   0.000%
          HA    ASN   69 - QD2   LEU   31  12.94 +/- 0.29   0.004% *  0.2432% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.499, support = 1.34, residual support = 8.54:
          HZ3   TRP   27 - QG2   VAL   43   2.07 +/- 0.21  94.975% * 99.5734% (0.50   1.34   8.54) =  99.977%  kept
        T HZ3   TRP   27 - QD2   LEU   31   3.57 +/- 0.35   5.025% *  0.4266% (0.14   0.02  16.57) =   0.023%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2480 (8.05, 2.39, 33.78 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.51, residual support = 44.3:
          HN    GLN   32 - QG    GLN   32   2.72 +/- 0.77  94.798% * 99.2770% (0.92   4.51  44.26) =  99.994%  kept
          HN    ALA   34 - QG    GLN   32   5.59 +/- 0.41   5.195% *  0.1061% (0.22   0.02   0.51) =   0.006%
          HN    SER   85 - QG    GLN   32  18.21 +/- 1.46   0.002% *  0.4599% (0.97   0.02   0.02) =   0.000%
          HN    LEU   80 - QG    GLN   32  15.60 +/- 1.15   0.004% *  0.0735% (0.15   0.02   0.02) =   0.000%
          HN    THR   94 - QG    GLN   32  19.69 +/- 0.94   0.001% *  0.0835% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 4.42, residual support = 44.3:
      O   HN    GLN   32 - QB    GLN   32   2.31 +/- 0.17  99.031% * 99.2626% (0.92   4.42  44.26) =  99.999%  kept
          HN    ALA   34 - QB    GLN   32   5.08 +/- 0.13   0.967% *  0.1082% (0.22   0.02   0.51) =   0.001%
          HN    SER   85 - QB    GLN   32  18.65 +/- 0.61   0.000% *  0.4690% (0.97   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    GLN   32  15.78 +/- 0.38   0.001% *  0.0750% (0.15   0.02   0.02) =   0.000%
          HN    THR   94 - QB    GLN   32  19.81 +/- 0.49   0.000% *  0.0851% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 0.21, support = 5.86, residual support = 65.2:
      O   HN    GLU-  29 - HA    GLU-  29   2.73 +/- 0.01  82.681% * 27.4988% (0.14   5.96  88.32) =  67.150%  kept
      O   HN    GLN   30 - HA    GLU-  29   3.58 +/- 0.03  16.460% * 67.5581% (0.36   5.65  17.88) =  32.842%  kept
          HN    GLN   30 - HA    GLN   32   6.88 +/- 0.10   0.327% *  0.3678% (0.55   0.02   1.51) =   0.004%
          HN    GLN   30 - HA    LYS+  33   7.22 +/- 0.19   0.247% *  0.3784% (0.57   0.02   0.79) =   0.003%
          HN    GLU-  29 - HA    GLN   32   7.59 +/- 0.13   0.181% *  0.1418% (0.21   0.02   0.02) =   0.001%
          HN    GLU-  29 - HA    LYS+  33   8.82 +/- 0.31   0.075% *  0.1459% (0.22   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   32  12.44 +/- 0.85   0.011% *  0.3335% (0.50   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  15.10 +/- 2.27   0.005% *  0.4363% (0.65   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  13.73 +/- 0.64   0.005% *  0.3432% (0.51   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  17.25 +/- 2.16   0.002% *  0.2759% (0.41   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  18.55 +/- 2.04   0.001% *  0.3784% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  19.26 +/- 2.20   0.001% *  0.4240% (0.63   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  19.19 +/- 2.67   0.001% *  0.3678% (0.55   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  17.14 +/- 0.83   0.001% *  0.2170% (0.32   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  18.58 +/- 0.54   0.001% *  0.2170% (0.32   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  20.14 +/- 0.64   0.001% *  0.3335% (0.50   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  21.97 +/- 2.15   0.000% *  0.2393% (0.36   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  23.35 +/- 0.61   0.000% *  0.3432% (0.51   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 0.387, support = 4.22, residual support = 44.1:
      O   HN    GLN   32 - HA    GLN   32   2.75 +/- 0.02  86.127% * 93.6140% (0.39   4.23  44.26) =  99.596%  kept
          HN    GLN   32 - HA    GLU-  29   3.83 +/- 0.10  11.977% *  2.6574% (0.25   0.18   0.02) =   0.393%
          HN    GLN   32 - HA    LYS+  33   5.21 +/- 0.05   1.891% *  0.4550% (0.40   0.02  13.90) =   0.011%
          HN    SER   85 - HA    GLU-  29  18.65 +/- 0.37   0.001% *  0.4692% (0.41   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLN   32  20.82 +/- 0.45   0.000% *  0.7209% (0.63   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLN   32  21.01 +/- 0.46   0.000% *  0.3801% (0.33   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LYS+  33  23.66 +/- 0.45   0.000% *  0.7419% (0.65   0.02   0.02) =   0.000%
          HN    THR   94 - HA    LYS+  33  22.21 +/- 0.36   0.000% *  0.3912% (0.34   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLU-  29  21.25 +/- 0.37   0.000% *  0.2474% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLU-  29  17.94 +/- 0.22   0.001% *  0.0784% (0.07   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLN   32  20.82 +/- 0.17   0.000% *  0.1205% (0.11   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    LYS+  33  22.09 +/- 0.21   0.000% *  0.1240% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 0.664, support = 5.88, residual support = 149.5:
      O   HN    LYS+  33 - HA    LYS+  33   2.81 +/- 0.02  77.310% * 83.1120% (0.69   5.95 155.97) =  95.462%  kept
      O   HN    LYS+  33 - HA    GLN   32   3.55 +/- 0.02  19.299% * 15.8136% (0.18   4.40  13.90) =   4.534%  kept
          HN    LYS+  33 - HA    GLU-  29   4.84 +/- 0.35   3.370% *  0.0780% (0.19   0.02   0.02) =   0.004%
          HN    CYS   21 - HA    LYS+  33  14.62 +/- 0.12   0.004% *  0.3648% (0.90   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLU-  29  12.08 +/- 0.31   0.013% *  0.1018% (0.25   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLN   32  14.75 +/- 0.16   0.004% *  0.0938% (0.23   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    LYS+  33  25.24 +/- 0.51   0.000% *  0.1823% (0.45   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    LYS+  33  25.13 +/- 0.79   0.000% *  0.1014% (0.25   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLU-  29  21.04 +/- 0.65   0.000% *  0.0283% (0.07   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN   32  22.31 +/- 0.86   0.000% *  0.0261% (0.06   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLN   32  25.55 +/- 0.65   0.000% *  0.0469% (0.12   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLU-  29  27.75 +/- 0.59   0.000% *  0.0509% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.503, support = 0.02, residual support = 0.02:
          HE3   TRP   27 - QB    LYS+  33   8.92 +/- 0.33  86.275% *  5.4417% (0.14   0.02   0.02) =  50.521%  kept
          QD    PHE   60 - QB    LYS+  33  12.94 +/- 0.44   9.679% * 37.1179% (0.92   0.02   0.02) =  38.662%  kept
          HN    LYS+  81 - QB    LYS+  33  18.00 +/- 0.54   1.290% * 39.4132% (0.98   0.02   0.02) =   5.471%  kept
          HN    LYS+  66 - QB    LYS+  33  16.05 +/- 0.74   2.756% * 18.0271% (0.45   0.02   0.02) =   5.346%  kept
    Distance limit 3.71 A violated in 20 structures by 4.99 A, eliminated.
    Peak unassigned.
 
    Peak 2488 (7.95, 1.86, 32.27 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.82, residual support = 156.0:
      O   HN    LYS+  33 - QB    LYS+  33   2.32 +/- 0.28  99.989% * 99.7367% (0.97   5.82 155.97) = 100.000%  kept
          HN    CYS   21 - QB    LYS+  33  11.01 +/- 0.15   0.010% *  0.2011% (0.57   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    LYS+  33  21.32 +/- 0.69   0.000% *  0.0622% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2489 (8.07, 1.86, 32.27 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.44, residual support = 37.6:
          HN    ALA   34 - QB    LYS+  33   2.68 +/- 0.20  95.274% * 99.0668% (0.92   5.44  37.65) =  99.987%  kept
          HN    GLN   32 - QB    LYS+  33   4.64 +/- 0.30   4.722% *  0.2551% (0.65   0.02  13.90) =   0.013%
          HN    LEU   80 - QB    LYS+  33  15.88 +/- 0.43   0.003% *  0.3294% (0.84   0.02   0.02) =   0.000%
          HN    SER   85 - QB    LYS+  33  19.99 +/- 0.58   0.001% *  0.1096% (0.28   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    LYS+  33  23.67 +/- 0.52   0.000% *  0.2392% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2490 (8.63, 1.86, 32.27 ppm):
    4 chemical-shift based assignments, quality = 0.391, support = 0.02, residual support = 0.02:
          HN    GLY   16 - QB    LYS+  33  10.65 +/- 1.35  82.503% *  8.4971% (0.20   0.02   0.02) =  58.983%  kept
          HN    ILE  103 - QB    LYS+  33  15.27 +/- 0.73  11.150% * 24.3087% (0.57   0.02   0.02) =  22.805%  kept
          HN    SER   82 - QB    LYS+  33  17.45 +/- 0.60   5.223% * 34.3809% (0.80   0.02   0.02) =  15.109%  kept
          HN    GLN   90 - QB    LYS+  33  22.49 +/- 0.64   1.124% * 32.8133% (0.76   0.02   0.02) =   3.103%  kept
    Distance limit 3.91 A violated in 20 structures by 6.38 A, eliminated.
    Peak unassigned.
 
    Peak 2491 (4.02, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 0.526, support = 5.66, residual support = 155.9:
      O   HA    LYS+  33 - HG2   LYS+  33   3.82 +/- 0.04  83.598% * 94.3703% (0.53   5.66 155.97) =  99.942%  kept
          HB2   SER   37 - HG2   LYS+  33   6.81 +/- 1.06   4.654% *  0.5292% (0.84   0.02   0.02) =   0.031%
          HA    GLU-  29 - HG2   LYS+  33   6.57 +/- 1.02   5.264% *  0.2378% (0.38   0.02   0.02) =   0.016%
          HB2   SER   82 - QG    LYS+  81   6.22 +/- 0.70   5.568% *  0.0843% (0.13   0.02  19.05) =   0.006%
          HA    VAL   70 - HG2   LYS+  33   9.73 +/- 1.60   0.545% *  0.5292% (0.84   0.02   0.02) =   0.004%
          HA    VAL   18 - HG2   LYS+  33  10.87 +/- 0.83   0.183% *  0.2161% (0.34   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+  33  13.19 +/- 1.42   0.066% *  0.3084% (0.49   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+ 106  14.58 +/- 0.50   0.028% *  0.3210% (0.51   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   LYS+ 106  15.26 +/- 0.59   0.022% *  0.3210% (0.51   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+ 106  16.42 +/- 0.91   0.014% *  0.1311% (0.21   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   LYS+ 106  19.34 +/- 1.01   0.005% *  0.3210% (0.51   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    LYS+  81  16.20 +/- 0.62   0.015% *  0.1139% (0.18   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+  33  18.56 +/- 0.70   0.006% *  0.1762% (0.28   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   LYS+ 106  19.84 +/- 0.90   0.005% *  0.2022% (0.32   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    LYS+  81  17.98 +/- 0.27   0.008% *  0.1035% (0.16   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+ 106  20.52 +/- 1.02   0.004% *  0.1870% (0.30   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+  33  25.92 +/- 1.41   0.001% *  0.5292% (0.84   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    LYS+  81  21.09 +/- 0.55   0.003% *  0.1596% (0.25   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   LYS+ 106  21.01 +/- 1.14   0.003% *  0.1442% (0.23   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    LYS+  81  23.62 +/- 0.36   0.002% *  0.2534% (0.40   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+ 106  20.94 +/- 1.01   0.003% *  0.1068% (0.17   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    LYS+  81  24.52 +/- 0.77   0.001% *  0.2534% (0.40   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  81  23.87 +/- 0.30   0.001% *  0.1477% (0.23   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    LYS+  81  26.75 +/- 0.44   0.001% *  0.2534% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2492 (0.79, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.978, support = 0.02, residual support = 113.9:
        T QD1   ILE   56 - QG2   ILE   56   3.27 +/- 0.01  99.712% * 28.4642% (0.98   0.02 114.14) =  99.817%  kept
          QD2   LEU   73 - QG2   ILE   56   9.74 +/- 0.99   0.179% * 23.2528% (0.80   0.02   0.02) =   0.147%
          HG3   LYS+ 121 - QG2   ILE   56  12.90 +/- 0.60   0.027% * 21.0868% (0.73   0.02   0.02) =   0.020%
        T QG1   VAL   41 - QG2   ILE   56  12.17 +/- 0.51   0.039% *  4.4806% (0.15   0.02   0.02) =   0.006%
          HG    LEU   31 - QG2   ILE   56  15.75 +/- 0.61   0.008% * 18.7856% (0.65   0.02   0.02) =   0.005%
          QD2   LEU  123 - QG2   ILE   56  12.39 +/- 0.43   0.034% *  3.9300% (0.14   0.02   0.02) =   0.005%
    Distance limit 2.79 A violated in 20 structures by 0.48 A, eliminated.
    Peak unassigned.
 
    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   3.00 +/- 0.62  99.809% * 29.1279% (0.99   0.02   0.02) =  99.929%  kept
          HA    GLU- 114 - QG2   ILE   56   9.97 +/- 0.32   0.146% *  7.3280% (0.25   0.02   0.02) =   0.037%
        T HA    ILE   19 - QG2   ILE   56  12.58 +/- 0.47   0.035% * 24.5469% (0.84   0.02   0.02) =   0.030%
          HA    THR   26 - QG2   ILE   56  18.31 +/- 0.41   0.004% * 16.6381% (0.57   0.02   0.02) =   0.002%
          HA    GLU-  25 - QG2   ILE   56  19.61 +/- 0.50   0.002% * 17.8247% (0.61   0.02   0.02) =   0.002%
          HA1   GLY  101 - QG2   ILE   56  17.94 +/- 0.85   0.004% *  4.5344% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.16 A violated in 3 structures by 0.16 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 = 0.717, support = 1.45, residual support = 9.23:
          HA    ALA  110 - QG2   ILE   56   3.51 +/- 0.15  82.975% * 12.6117% (0.65   0.73   6.82) =  74.121%  kept
          HA    PHE   55 - QG2   ILE   56   5.79 +/- 0.14   4.223% * 86.1882% (0.92   3.52  16.20) =  25.778%  kept
          HA    THR   46 - QG2   ILE   56   4.91 +/- 0.34  12.472% *  0.1050% (0.20   0.02   0.02) =   0.093%
          HA    VAL   42 - QG2   ILE   56   9.69 +/- 0.56   0.198% *  0.4249% (0.80   0.02   0.02) =   0.006%
          HA    GLN   90 - QG2   ILE   56  11.50 +/- 0.60   0.074% *  0.4055% (0.76   0.02   0.02) =   0.002%
          HA    GLN   17 - QG2   ILE   56  11.94 +/- 0.58   0.057% *  0.1323% (0.25   0.02   0.02) =   0.001%
          HA    SER   37 - QG2   ILE   56  21.61 +/- 0.60   0.002% *  0.1323% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 1 structures by 0.12 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  10.41 +/- 0.33 100.000% *100.0000% (0.73   0.02   0.02) = 100.000%  kept
    Distance limit 3.00 A violated in 20 structures by 7.41 A, eliminated.
    Peak unassigned.
 
    Peak 2496 (7.40, 1.27, 17.92 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.66, residual support = 25.8:
          HN    ALA   57 - QG2   ILE   56   3.48 +/- 0.09  99.672% * 98.9918% (0.92   4.66  25.85) =  99.999%  kept
          HE21  GLN  116 - QG2   ILE   56   9.85 +/- 0.81   0.228% *  0.3994% (0.87   0.02   0.02) =   0.001%
          HN    ALA  120 - QG2   ILE   56  11.63 +/- 0.37   0.075% *  0.2241% (0.49   0.02   0.02) =   0.000%
          HE21  GLN   90 - QG2   ILE   56  14.23 +/- 1.06   0.025% *  0.3846% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2497 (7.60, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 6.27, residual support = 114.1:
          HN    ILE   56 - QG2   ILE   56   2.88 +/- 0.21  96.193% * 98.4438% (0.65   6.27 114.14) =  99.994%  kept
          HN    LYS+ 111 - QG2   ILE   56   5.50 +/- 0.23   2.161% *  0.1350% (0.28   0.02   2.29) =   0.003%
          QE    PHE   60 - QG2   ILE   56   6.08 +/- 0.40   1.349% *  0.0961% (0.20   0.02   0.02) =   0.001%
          HN    LEU   63 - QG2   ILE   56   7.82 +/- 0.37   0.284% *  0.3710% (0.76   0.02   0.02) =   0.001%
          HZ2   TRP   87 - QG2   ILE   56  16.33 +/- 0.64   0.003% *  0.3710% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - QG2   ILE   56  17.24 +/- 0.43   0.002% *  0.4481% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - QG2   ILE   56  14.20 +/- 0.37   0.007% *  0.1350% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2498 (3.86, 1.28, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.742, support = 1.41, residual support = 2.66:
        T HB    THR   39 - QB    ALA   34   3.93 +/- 0.79  56.799% * 40.6779% (0.80   1.43   3.42) =  64.130%  kept
          HB3   SER   37 - QB    ALA   34   4.20 +/- 0.24  32.087% * 31.5418% (0.69   1.30   1.33) =  28.091%  kept
          HA    GLN   30 - QB    ALA   34   5.12 +/- 0.34  11.037% * 25.3902% (0.44   1.65   1.16) =   7.778%  kept
          QB    SER   13 - QB    ALA   34  13.28 +/- 1.64   0.040% *  0.5846% (0.83   0.02   0.02) =   0.001%
          HB3   SER   82 - QB    ALA   34  14.91 +/- 0.56   0.015% *  0.6277% (0.89   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   34  15.23 +/- 0.39   0.013% *  0.2377% (0.34   0.02   0.02) =   0.000%
          HA    ILE   89 - QB    ALA   34  18.31 +/- 0.93   0.005% *  0.4840% (0.69   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   34  21.80 +/- 0.62   0.002% *  0.3585% (0.51   0.02   0.02) =   0.000%
          HB2   CYS   53 - QB    ALA   34  19.05 +/- 0.44   0.003% *  0.0977% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2499 (3.63, 1.28, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.651, support = 0.75, residual support = 3.88:
          HA    LEU   31 - QB    ALA   34   3.00 +/- 0.15 100.000% *100.0000% (0.65   0.75   3.88) = 100.000%  kept
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2500 (0.77, 1.28, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.749, support = 2.96, residual support = 9.4:
        T QG1   VAL   41 - QB    ALA   34   1.89 +/- 0.23  98.708% * 97.1548% (0.75   2.96   9.40) =  99.992%  kept
          QD2   LEU   73 - QB    ALA   34   4.45 +/- 0.18   0.735% *  0.6299% (0.72   0.02   0.02) =   0.005%
          HG    LEU   31 - QB    ALA   34   5.76 +/- 0.59   0.249% *  0.7262% (0.83   0.02   3.88) =   0.002%
          QG1   VAL   43 - QB    ALA   34   5.23 +/- 0.43   0.298% *  0.5089% (0.58   0.02   0.02) =   0.002%
        T QG2   VAL   18 - QB    ALA   34   9.62 +/- 0.46   0.008% *  0.3234% (0.37   0.02   0.02) =   0.000%
          QG2   THR   46 - QB    ALA   34  12.21 +/- 0.29   0.002% *  0.2428% (0.28   0.02   0.02) =   0.000%
        T QD1   ILE   56 - QB    ALA   34  15.14 +/- 0.32   0.000% *  0.4139% (0.47   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2501 (8.38, 1.28, 18.57 ppm):
    4 chemical-shift based assignments, quality = 0.616, support = 3.25, residual support = 17.9:
          HN    ASN   35 - QB    ALA   34   2.88 +/- 0.05  99.908% * 98.5739% (0.62   3.25  17.92) = 100.000%  kept
          HN    PHE   97 - QB    ALA   34   9.38 +/- 0.38   0.088% *  0.2725% (0.28   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    ALA   34  17.19 +/- 2.29   0.003% *  0.8810% (0.89   0.02   0.02) =   0.000%
          HN    LEU  115 - QB    ALA   34  18.48 +/- 0.39   0.001% *  0.2725% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 3.53, residual support = 24.3:
      O   HN    ALA   34 - QB    ALA   34   2.05 +/- 0.09  99.996% * 98.2889% (0.58   3.53  24.30) = 100.000%  kept
          HN    THR   26 - QB    ALA   34  11.47 +/- 0.33   0.003% *  0.2393% (0.25   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    ALA   34  14.89 +/- 0.44   0.001% *  0.6577% (0.69   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   34  20.22 +/- 0.39   0.000% *  0.8141% (0.85   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2503 (8.08, 4.13, 54.46 ppm):
    8 chemical-shift based assignments, quality = 0.865, support = 3.35, residual support = 24.3:
      O   HN    ALA   34 - HA    ALA   34   2.81 +/- 0.02  99.624% * 98.2034% (0.87   3.35  24.30) =  99.999%  kept
          HN    GLN   32 - HA    ALA   34   7.15 +/- 0.11   0.374% *  0.1691% (0.25   0.02   0.51) =   0.001%
          HN    LEU   80 - HA    ALA   34  19.81 +/- 0.52   0.001% *  0.6070% (0.89   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA   34  26.22 +/- 0.45   0.000% *  0.5754% (0.85   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    ALA  124  24.57 +/- 0.81   0.000% *  0.1348% (0.20   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA  124  27.42 +/- 0.55   0.000% *  0.1321% (0.19   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA  124  33.92 +/- 0.69   0.000% *  0.1393% (0.21   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    ALA  124  28.46 +/- 0.80   0.000% *  0.0388% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.889, support = 1.45, residual support = 2.13:
          HB3   SER   37 - HA    ALA   34   2.58 +/- 0.29  73.757% * 34.9972% (0.89   1.11   1.33) =  61.741%  kept
          HB    THR   39 - HA    ALA   34   3.47 +/- 1.03  25.909% * 61.7346% (0.88   2.00   3.42) =  38.258%  kept
          HA    GLN   30 - HA    ALA   34   6.73 +/- 0.41   0.323% *  0.1103% (0.16   0.02   1.16) =   0.001%
          QB    SER   13 - HA    ALA   34  14.91 +/- 2.20   0.003% *  0.6078% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA  124  12.53 +/- 0.57   0.007% *  0.1105% (0.16   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA   34  19.80 +/- 0.44   0.000% *  0.4813% (0.69   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA   34  19.91 +/- 0.61   0.000% *  0.4573% (0.65   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA   34  24.39 +/- 1.10   0.000% *  0.6284% (0.89   0.02   0.02) =   0.000%
          HB    THR   39 - HA    ALA  124  19.76 +/- 0.89   0.000% *  0.1417% (0.20   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ALA  124  22.71 +/- 0.96   0.000% *  0.1443% (0.21   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ALA  124  25.66 +/- 1.61   0.000% *  0.1395% (0.20   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA   34  28.22 +/- 0.71   0.000% *  0.1402% (0.20   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA  124  32.38 +/- 0.72   0.000% *  0.1443% (0.21   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ALA  124  27.51 +/- 0.74   0.000% *  0.0253% (0.04   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA  124  35.64 +/- 1.07   0.000% *  0.1050% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA  124  29.34 +/- 0.73   0.000% *  0.0322% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 4.03, residual support = 54.2:
      O T HA    ASN   35 - HB2   ASN   35   2.78 +/- 0.06  99.787% * 96.2789% (0.90   4.03  54.22) =  99.999%  kept
          HA    LYS+  99 - HB2   ASN   35   8.86 +/- 0.88   0.118% *  0.4076% (0.76   0.02   0.02) =   0.001%
        T HA    LEU   40 - HB2   ASN   35   9.46 +/- 0.61   0.072% *  0.3450% (0.65   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   ASN   28  12.42 +/- 0.40   0.013% *  0.1488% (0.28   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   35  17.11 +/- 1.42   0.002% *  0.2391% (0.45   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   28  16.91 +/- 0.78   0.002% *  0.1268% (0.24   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   ASN   28  16.77 +/- 0.43   0.002% *  0.1073% (0.20   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   35  23.38 +/- 0.98   0.000% *  0.5228% (0.98   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   35  21.49 +/- 2.39   0.001% *  0.2391% (0.45   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   28  18.48 +/- 0.98   0.001% *  0.0744% (0.14   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   35  25.33 +/- 0.56   0.000% *  0.4923% (0.92   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   35  25.58 +/- 0.46   0.000% *  0.2596% (0.49   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   28  22.50 +/- 2.18   0.000% *  0.0744% (0.14   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   28  25.57 +/- 0.57   0.000% *  0.1531% (0.29   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   35  30.40 +/- 0.72   0.000% *  0.2193% (0.41   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   28  26.02 +/- 0.52   0.000% *  0.0808% (0.15   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   28  29.52 +/- 0.87   0.000% *  0.1626% (0.30   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   28  32.67 +/- 0.62   0.000% *  0.0682% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 5.55, residual support = 54.2:
      O   HN    ASN   35 - HB2   ASN   35   2.13 +/- 0.05  99.980% * 98.5993% (0.57   5.55  54.22) = 100.000%  kept
          HN    LYS+  99 - HB2   ASN   35  10.21 +/- 0.91   0.011% *  0.3551% (0.57   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ASN   28  10.31 +/- 0.23   0.008% *  0.1105% (0.18   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   35  17.53 +/- 2.88   0.001% *  0.3053% (0.49   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   35  19.93 +/- 2.09   0.000% *  0.2139% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASN   28  17.67 +/- 0.83   0.000% *  0.1105% (0.18   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   28  20.51 +/- 2.06   0.000% *  0.0665% (0.11   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   35  23.55 +/- 3.30   0.000% *  0.1098% (0.18   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   28  22.78 +/- 2.24   0.000% *  0.0950% (0.15   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   28  24.96 +/- 2.77   0.000% *  0.0342% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2508 (7.37, 2.95, 38.12 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.59, residual support = 54.2:
      O   HD21  ASN   35 - HB2   ASN   35   2.71 +/- 0.37  99.944% * 98.4646% (1.00   3.59  54.22) = 100.000%  kept
          HD21  ASN   35 - HB2   ASN   28  10.39 +/- 0.93   0.037% *  0.1706% (0.31   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   28  12.24 +/- 0.33   0.015% *  0.1304% (0.24   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   35  17.84 +/- 0.42   0.002% *  0.4191% (0.76   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   35  19.07 +/- 0.56   0.001% *  0.1525% (0.28   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   28  23.12 +/- 1.65   0.000% *  0.1035% (0.19   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   35  28.48 +/- 0.88   0.000% *  0.3326% (0.61   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   28  22.30 +/- 1.75   0.000% *  0.0425% (0.08   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   35  27.84 +/- 1.55   0.000% *  0.1367% (0.25   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   28  22.97 +/- 0.39   0.000% *  0.0474% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2509 (3.98, 2.95, 38.12 ppm):
    24 chemical-shift based assignments, quality = 0.991, support = 2.32, residual support = 7.9:
        T HA    GLN   32 - HB2   ASN   35   2.39 +/- 0.16  96.874% * 93.8464% (0.99   2.32   7.90) =  99.996%  kept
        T HA    GLU-  29 - HB2   ASN   28   4.51 +/- 0.11   2.337% *  0.0866% (0.11   0.02  31.89) =   0.002%
        T HA    LYS+  33 - HB2   ASN   35   5.61 +/- 0.16   0.606% *  0.1817% (0.22   0.02   0.50) =   0.001%
        T HA    GLU-  29 - HB2   ASN   35   8.14 +/- 0.29   0.066% *  0.2783% (0.34   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB2   ASN   28   8.08 +/- 0.29   0.069% *  0.2516% (0.31   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   28   9.70 +/- 0.53   0.027% *  0.1138% (0.14   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   ASN   28  10.57 +/- 0.24   0.014% *  0.0565% (0.07   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   35  15.55 +/- 0.42   0.001% *  0.3062% (0.38   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   28  13.76 +/- 0.43   0.003% *  0.0953% (0.12   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   35  17.86 +/- 0.55   0.001% *  0.3658% (0.45   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   28  18.88 +/- 0.63   0.000% *  0.2488% (0.30   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   35  19.88 +/- 1.31   0.000% *  0.3062% (0.38   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   28  16.11 +/- 0.28   0.001% *  0.0953% (0.12   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   35  20.36 +/- 0.46   0.000% *  0.3062% (0.38   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   35  21.24 +/- 0.66   0.000% *  0.3658% (0.45   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   35  24.72 +/- 0.92   0.000% *  0.7998% (0.98   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   28  21.28 +/- 0.53   0.000% *  0.2120% (0.26   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   35  26.08 +/- 0.56   0.000% *  0.6815% (0.84   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   35  30.33 +/- 1.21   0.000% *  0.7998% (0.98   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   28  22.09 +/- 0.81   0.000% *  0.0953% (0.12   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   28  27.45 +/- 1.19   0.000% *  0.2488% (0.30   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   28  23.87 +/- 0.58   0.000% *  0.1138% (0.14   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   35  25.02 +/- 0.82   0.000% *  0.1104% (0.14   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   28  30.22 +/- 0.70   0.000% *  0.0343% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2510 (2.15, 2.86, 38.12 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 4.84, residual support = 45.7:
          QB    GLU-  36 - HB3   ASN   35   3.81 +/- 0.09  98.451% * 98.6052% (0.99   4.84  45.71) =  99.998%  kept
          HB2   LYS+  38 - HB3   ASN   35   8.05 +/- 0.29   1.182% *  0.0720% (0.18   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HB3   ASN   35  10.60 +/- 0.35   0.218% *  0.3794% (0.92   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HB3   ASN   35  11.34 +/- 0.35   0.145% *  0.2327% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB3   ASN   35  20.93 +/- 0.52   0.004% *  0.3967% (0.97   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB3   ASN   35  28.94 +/- 0.78   0.001% *  0.3141% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2511 (2.15, 2.95, 38.12 ppm):
    12 chemical-shift based assignments, quality = 0.738, support = 5.1, residual support = 41.3:
          QB    GLU-  36 - HB2   ASN   35   4.78 +/- 0.19  26.159% * 70.2697% (0.99   5.28  45.71) =  68.372%  kept
          HG3   GLU-  29 - HB2   ASN   28   4.14 +/- 0.61  65.782% * 11.2271% (0.18   4.75  31.89) =  27.470%  kept
          HB3   GLU-  29 - HB2   ASN   28   6.06 +/- 0.28   6.433% * 17.3497% (0.29   4.50  31.89) =   4.151%  kept
          HB3   GLU-  29 - HB2   ASN   35   9.99 +/- 0.21   0.294% *  0.2480% (0.92   0.02   0.02) =   0.003%
          HB2   LYS+  38 - HB2   ASN   35   8.49 +/- 0.49   0.862% *  0.0470% (0.18   0.02   0.02) =   0.002%
          HG3   GLU-  29 - HB2   ASN   35  10.73 +/- 0.37   0.200% *  0.1521% (0.57   0.02   0.02) =   0.001%
          QB    GLU-  36 - HB2   ASN   28  10.86 +/- 0.19   0.177% *  0.0828% (0.31   0.02   0.02) =   0.001%
        T HB3   GLU-  79 - HB2   ASN   28  12.59 +/- 0.41   0.074% *  0.0806% (0.30   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB2   ASN   35  19.40 +/- 0.54   0.006% *  0.2592% (0.97   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   ASN   28  22.10 +/- 0.60   0.003% *  0.0639% (0.24   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB2   ASN   35  27.28 +/- 0.79   0.001% *  0.2053% (0.76   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   ASN   28  17.79 +/- 0.74   0.010% *  0.0146% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2512 (4.00, 2.86, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.487, support = 2.2, residual support = 7.9:
          HA    GLN   32 - HB3   ASN   35   2.82 +/- 0.24  98.092% * 88.7354% (0.49   2.20   7.90) =  99.966%  kept
          HA    LYS+  33 - HB3   ASN   35   5.58 +/- 0.18   1.774% *  1.5286% (0.92   0.02   0.50) =   0.031%
          HA    GLU-  29 - HB3   ASN   35   8.71 +/- 0.34   0.117% *  1.6413% (0.99   0.02   0.02) =   0.002%
          HA    VAL   70 - HB3   ASN   35  12.85 +/- 0.54   0.013% *  1.0712% (0.65   0.02   0.02) =   0.000%
        T HA    VAL   18 - HB3   ASN   35  16.87 +/- 0.42   0.002% *  1.6522% (1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   ASN   35  19.11 +/- 0.55   0.001% *  1.6522% (1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HB3   ASN   35  27.73 +/- 0.56   0.000% *  1.2655% (0.76   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   ASN   35  26.23 +/- 0.92   0.000% *  0.8712% (0.53   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   ASN   35  28.11 +/- 0.73   0.000% *  1.0712% (0.65   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   ASN   35  32.05 +/- 1.21   0.000% *  0.5111% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2513 (4.39, 2.86, 38.12 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 3.95, residual support = 54.2:
      O   HA    ASN   35 - HB3   ASN   35   2.98 +/- 0.05  99.826% * 97.1954% (0.90   3.95  54.22) =  99.999%  kept
          HA    LYS+  99 - HB3   ASN   35   9.59 +/- 0.78   0.107% *  0.4195% (0.76   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   ASN   35  10.35 +/- 0.54   0.062% *  0.3551% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   ASN   35  17.88 +/- 1.42   0.003% *  0.2461% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   ASN   35  21.83 +/- 2.53   0.001% *  0.2461% (0.45   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   ASN   35  24.19 +/- 1.00   0.000% *  0.5381% (0.98   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   ASN   35  26.93 +/- 0.55   0.000% *  0.5067% (0.92   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   ASN   35  27.06 +/- 0.46   0.000% *  0.2672% (0.49   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   ASN   35  31.85 +/- 0.68   0.000% *  0.2257% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2514 (7.37, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 54.2:
      O   HD21  ASN   35 - HB3   ASN   35   2.45 +/- 0.31  99.999% * 98.8497% (1.00   3.26  54.22) = 100.000%  kept
          HD2   HIS   22 - HB3   ASN   35  19.31 +/- 0.43   0.001% *  0.4631% (0.76   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   ASN   35  20.09 +/- 0.57   0.000% *  0.1685% (0.28   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASN   35  30.15 +/- 0.90   0.000% *  0.3676% (0.61   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB3   ASN   35  29.45 +/- 1.58   0.000% *  0.1511% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2515 (7.76, 2.86, 38.12 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.91, residual support = 45.7:
          HN    GLU-  36 - HB3   ASN   35   2.59 +/- 0.15  99.761% * 98.9717% (0.97   5.91  45.71) =  99.999%  kept
          HN    THR   39 - HB3   ASN   35   7.54 +/- 0.32   0.198% *  0.3112% (0.90   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HB3   ASN   35  10.29 +/- 1.10   0.035% *  0.2898% (0.84   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   ASN   35  13.44 +/- 0.27   0.005% *  0.1071% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   ASN   35  20.42 +/- 1.11   0.000% *  0.3203% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2516 (8.37, 2.86, 38.12 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.59, residual support = 54.2:
      O   HN    ASN   35 - HB3   ASN   35   2.99 +/- 0.12  99.999% * 99.6792% (0.97   5.59  54.22) = 100.000%  kept
          HN    ALA   12 - HB3   ASN   35  23.69 +/- 3.59   0.001% *  0.3208% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 54.2:
      O   HD22  ASN   35 - HB3   ASN   35   3.60 +/- 0.14 100.000% *100.0000% (0.99   3.26  54.22) = 100.000%  kept
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2518 (7.77, 2.95, 38.12 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 6.05, residual support = 45.7:
          HN    GLU-  36 - HB2   ASN   35   3.26 +/- 0.17  98.842% * 98.9280% (0.92   6.05  45.71) =  99.997%  kept
          HN    THR   39 - HB2   ASN   35   7.46 +/- 0.43   0.834% *  0.1863% (0.53   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB2   ASN   35   9.67 +/- 1.24   0.237% *  0.3533% (1.00   0.02   0.02) =   0.001%
          HN    GLU-  36 - HB2   ASN   28  11.34 +/- 0.22   0.057% *  0.1017% (0.29   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   28  14.53 +/- 0.99   0.015% *  0.0624% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   35  18.90 +/- 1.11   0.003% *  0.2005% (0.57   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   ASN   28  17.57 +/- 1.23   0.005% *  0.1099% (0.31   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASN   28  15.90 +/- 0.37   0.008% *  0.0580% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2519 (4.09, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 4.87, residual support = 82.8:
      O T HA    GLU-  36 - QB    GLU-  36   2.35 +/- 0.19  99.993% * 98.7414% (0.84   4.87  82.76) = 100.000%  kept
        T HA    GLU-  36 - HB3   GLU-  29  12.05 +/- 0.50   0.006% *  0.1255% (0.26   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    GLU-  36  20.66 +/- 0.56   0.000% *  0.2552% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   GLU-  29  18.37 +/- 0.34   0.000% *  0.1091% (0.22   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    GLU-  36  22.91 +/- 0.26   0.000% *  0.3522% (0.73   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    GLU-  36  25.01 +/- 0.81   0.000% *  0.1497% (0.31   0.02   0.02) =   0.000%
          HA    LYS+  66 - HB3   GLU-  29  23.64 +/- 0.58   0.000% *  0.0791% (0.16   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    GLU-  36  27.38 +/- 0.65   0.000% *  0.1080% (0.22   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   GLU-  29  25.71 +/- 0.86   0.000% *  0.0335% (0.07   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   GLU-  29  31.66 +/- 0.79   0.000% *  0.0464% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 3.71, residual support = 19.4:
          HN    SER   37 - QB    GLU-  36   3.41 +/- 0.19  84.437% * 95.6873% (0.45   3.71  19.44) =  99.949%  kept
          HN    LYS+  33 - QB    GLU-  36   4.77 +/- 0.20  11.392% *  0.3197% (0.28   0.02   0.02) =   0.045%
          HN    LYS+  33 - HB3   GLU-  29   5.77 +/- 0.36   4.001% *  0.0990% (0.09   0.02   0.02) =   0.005%
          HN    CYS   21 - HB3   GLU-  29  11.02 +/- 0.55   0.082% *  0.3438% (0.30   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   GLU-  29  11.08 +/- 0.46   0.077% *  0.1597% (0.14   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    GLU-  36  15.96 +/- 0.22   0.008% *  1.1097% (0.97   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    GLU-  36  24.30 +/- 0.52   0.001% *  0.9974% (0.87   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    GLU-  36  24.21 +/- 0.73   0.001% *  0.7439% (0.65   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   GLU-  29  21.66 +/- 0.60   0.001% *  0.2304% (0.20   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   GLU-  29  27.67 +/- 0.55   0.000% *  0.3090% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2521 (7.77, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 7.31, residual support = 82.8:
      O   HN    GLU-  36 - QB    GLU-  36   2.12 +/- 0.10  99.888% * 99.0365% (0.69   7.31  82.76) = 100.000%  kept
          HN    THR   39 - QB    GLU-  36   6.80 +/- 0.40   0.096% *  0.1096% (0.28   0.02   0.21) =   0.000%
          HN    LYS+ 102 - QB    GLU-  36  12.17 +/- 0.85   0.003% *  0.3420% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   GLU-  29   9.77 +/- 0.38   0.011% *  0.0839% (0.21   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   GLU-  29  13.86 +/- 0.42   0.001% *  0.0340% (0.09   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    GLU-  36  17.23 +/- 0.46   0.000% *  0.0983% (0.25   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   GLU-  29  18.63 +/- 1.17   0.000% *  0.1059% (0.27   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    GLU-  36  21.24 +/- 0.91   0.000% *  0.1217% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   GLU-  29  19.29 +/- 0.86   0.000% *  0.0377% (0.10   0.02   0.02) =   0.000%
          HN    ASP- 105 - HB3   GLU-  29  21.53 +/- 0.53   0.000% *  0.0305% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2522 (7.78, 2.46, 36.40 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 4.86, residual support = 82.8:
          HN    GLU-  36 - HG2   GLU-  36   3.18 +/- 0.51  99.972% * 98.4038% (0.28   4.86  82.76) = 100.000%  kept
          HN    LYS+ 102 - HG2   GLU-  36  13.39 +/- 0.86   0.025% *  0.6534% (0.45   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG2   GLU-  36  19.00 +/- 0.94   0.003% *  0.9428% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2523 (7.77, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 4.86, residual support = 82.8:
          HN    GLU-  36 - HG3   GLU-  36   3.86 +/- 0.14  97.222% * 98.8145% (0.69   4.86  82.76) =  99.995%  kept
          HN    THR   39 - HG3   GLU-  36   7.78 +/- 1.52   2.700% *  0.1647% (0.28   0.02   0.21) =   0.005%
          HN    LYS+ 102 - HG3   GLU-  36  14.26 +/- 1.00   0.043% *  0.5138% (0.87   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   GLU-  36  19.90 +/- 0.85   0.005% *  0.1477% (0.25   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    MET   11  20.09 +/- 3.56   0.011% *  0.0507% (0.09   0.02   0.02) =   0.000%
          HN    THR   39 - QB    MET   11  19.09 +/- 3.57   0.015% *  0.0205% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG3   GLU-  36  24.77 +/- 1.13   0.001% *  0.1828% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    MET   11  26.63 +/- 3.29   0.001% *  0.0640% (0.11   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    MET   11  27.72 +/- 2.34   0.001% *  0.0184% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    MET   11  32.53 +/- 2.05   0.000% *  0.0228% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2524 (7.78, 4.10, 58.69 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 5.47, residual support = 82.8:
      O   HN    GLU-  36 - HA    GLU-  36   2.81 +/- 0.04  99.979% * 98.5809% (0.28   5.47  82.76) = 100.000%  kept
          HN    LYS+ 102 - HA    GLU-  36  11.92 +/- 0.89   0.019% *  0.5809% (0.45   0.02   0.02) =   0.000%
          HN    ASP- 105 - HA    GLU-  36  18.19 +/- 0.51   0.001% *  0.8382% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 3.43, residual support = 25.1:
      O   HN    SER   37 - HB2   SER   37   3.30 +/- 0.47  99.992% * 98.6676% (0.98   3.43  25.11) = 100.000%  kept
          HN    CYS   21 - HB2   SER   37  17.10 +/- 0.62   0.006% *  0.2413% (0.41   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   SER   37  23.04 +/- 0.82   0.001% *  0.5092% (0.87   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   SER   37  28.07 +/- 0.95   0.000% *  0.5819% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 0.539, support = 0.0199, residual support = 0.0199:
          HN    GLN   30 - HB3   SER   37  10.63 +/- 0.38  47.568% * 12.9780% (0.47   0.02   0.02) =  50.202%  kept
          HN    GLU-  29 - HB3   SER   37  12.79 +/- 0.36  15.684% * 22.4691% (0.82   0.02   0.02) =  28.657%  kept
          HN    VAL   18 - QB    SER   13  12.23 +/- 0.82  22.229% *  4.8772% (0.18   0.02   0.02) =   8.816%  kept
          HN    GLN   30 - QB    SER   13  15.89 +/- 2.15   6.095% *  9.9312% (0.36   0.02   0.02) =   4.922%  kept
          HN    GLU-  29 - QB    SER   13  17.62 +/- 2.30   3.205% * 17.1942% (0.63   0.02   0.02) =   4.482%  kept
          HN    VAL   18 - HB3   SER   37  15.57 +/- 0.56   4.859% *  6.3735% (0.23   0.02   0.02) =   2.518%  kept
          HN    ASP-  86 - HB3   SER   37  25.55 +/- 0.64   0.250% * 14.8290% (0.54   0.02   0.02) =   0.301%
          HN    ASP-  86 - QB    SER   13  29.47 +/- 1.34   0.109% * 11.3477% (0.41   0.02   0.02) =   0.101%
    Distance limit 3.90 A violated in 20 structures by 5.49 A, eliminated.
    Peak unassigned.
 
    Peak 2527 (7.88, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 215.1:
      O   HN    LYS+  38 - HA    LYS+  38   2.25 +/- 0.15  97.198% * 99.5701% (0.92   6.07 215.13) =  99.998%  kept
          HN    SER   37 - HA    LYS+  38   4.33 +/- 0.12   1.983% *  0.0886% (0.25   0.02   8.68) =   0.002%
          HN    LYS+  38 - HA    GLU- 100   5.54 +/- 1.07   0.722% *  0.0198% (0.06   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLU- 100   7.54 +/- 0.92   0.086% *  0.0054% (0.02   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LYS+  38  11.09 +/- 0.33   0.007% *  0.0548% (0.15   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LYS+  38  21.77 +/- 0.77   0.000% *  0.0703% (0.20   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    GLU- 100  13.01 +/- 0.66   0.003% *  0.0033% (0.01   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LYS+  38  29.41 +/- 0.47   0.000% *  0.1729% (0.49   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    GLU- 100  22.54 +/- 0.31   0.000% *  0.0042% (0.01   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    GLU- 100  29.92 +/- 0.36   0.000% *  0.0105% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 6.17, residual support = 30.3:
      O   HN    THR   39 - HA    LYS+  38   3.35 +/- 0.27  79.192% * 98.8632% (0.92   6.17  30.30) =  99.976%  kept
          HN    GLU-  36 - HA    LYS+  38   5.61 +/- 0.22   3.877% *  0.3286% (0.95   0.02   1.08) =   0.016%
          HN    LYS+ 102 - HA    LYS+  38   7.38 +/- 1.47   1.167% *  0.2781% (0.80   0.02   0.02) =   0.004%
          HN    LYS+ 102 - HA    GLU- 100   4.64 +/- 0.25  12.207% *  0.0168% (0.05   0.02   0.02) =   0.003%
          HN    THR   39 - HA    GLU- 100   5.97 +/- 0.71   3.125% *  0.0194% (0.06   0.02   0.02) =   0.001%
          HN    GLU-  36 - HA    GLU- 100   8.33 +/- 0.74   0.422% *  0.0199% (0.06   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    LYS+  38  17.11 +/- 0.22   0.005% *  0.1185% (0.34   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    LYS+  38  22.78 +/- 1.10   0.001% *  0.3286% (0.95   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    GLU- 100  18.92 +/- 0.62   0.003% *  0.0072% (0.02   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    GLU- 100  22.60 +/- 0.74   0.001% *  0.0199% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2529 (7.91, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.997, support = 0.02, residual support = 8.67:
          HN    SER   37 - HB2   LYS+  38   5.26 +/- 0.27  99.944% * 32.1378% (1.00   0.02   8.68) =  99.970%  kept
          HN    ILE  119 - HB2   LYS+  38  22.31 +/- 0.93   0.018% * 25.7912% (0.80   0.02   0.02) =   0.014%
          HN    CYS   21 - HB2   LYS+  38  20.12 +/- 1.36   0.035% * 10.9869% (0.34   0.02   0.02) =   0.012%
          HN    ILE   89 - HB2   LYS+  38  28.87 +/- 0.98   0.004% * 31.0842% (0.97   0.02   0.02) =   0.004%
    Distance limit 3.79 A violated in 20 structures by 1.46 A, eliminated.
    Peak unassigned.
 
    Peak 2530 (7.77, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.72, residual support = 30.3:
          HN    THR   39 - HB2   LYS+  38   3.39 +/- 0.35  98.421% * 98.2134% (0.45   5.72  30.30) =  99.989%  kept
          HN    GLU-  36 - HB2   LYS+  38   7.13 +/- 0.36   1.212% *  0.6639% (0.87   0.02   1.08) =   0.008%
          HN    LYS+ 102 - HB2   LYS+  38   9.09 +/- 0.83   0.366% *  0.7502% (0.98   0.02   0.02) =   0.003%
          HD1   TRP   87 - HB2   LYS+  38  25.38 +/- 0.90   0.001% *  0.3725% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 2 structures by 0.09 A, kept.
 
    Peak 2531 (7.89, 1.32, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.789, support = 5.81, residual support = 209.2:
          HN    LYS+  38 - HG2   LYS+  38   2.99 +/- 0.13  91.128% * 75.0583% (0.80   5.86 215.13) =  97.127%  kept
          HN    SER   37 - HG2   LYS+  38   4.48 +/- 0.03   8.221% * 24.6094% (0.38   4.10   8.68) =   2.873%  kept
          HN    LYS+  38 - HG2   LYS+  99   7.28 +/- 0.67   0.525% *  0.0699% (0.22   0.02   0.02) =   0.001%
          HN    SER   37 - HG2   LYS+  99   9.15 +/- 0.65   0.125% *  0.0327% (0.10   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  38  28.05 +/- 0.85   0.000% *  0.0713% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  38  31.69 +/- 1.25   0.000% *  0.1092% (0.34   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  99  27.48 +/- 0.35   0.000% *  0.0298% (0.09   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  99  26.60 +/- 0.71   0.000% *  0.0194% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 5.75, residual support = 205.0:
          HN    LYS+  38 - HG3   LYS+  38   3.39 +/- 0.13  86.794% * 72.5246% (0.80   5.81 215.13) =  95.077%  kept
          HN    SER   37 - HG3   LYS+  38   4.77 +/- 0.32  11.964% * 27.2430% (0.38   4.66   8.68) =   4.923%  kept
          HN    LYS+  38 - HG3   LYS+  99   7.62 +/- 1.14   0.991% *  0.0261% (0.08   0.02   0.02) =   0.000%
          HN    SER   37 - HG3   LYS+  99   9.42 +/- 1.21   0.251% *  0.0122% (0.04   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  38  28.57 +/- 1.28   0.000% *  0.0694% (0.22   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  38  31.92 +/- 1.64   0.000% *  0.1064% (0.34   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  99  27.11 +/- 1.02   0.000% *  0.0111% (0.04   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  26.40 +/- 0.84   0.000% *  0.0072% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2533 (7.75, 4.27, 62.55 ppm):
    12 chemical-shift based assignments, quality = 0.957, support = 3.87, residual support = 38.1:
      O   HN    THR   39 - HA    THR   39   2.75 +/- 0.03  96.389% * 79.5349% (0.97   3.90  38.38) =  99.193%  kept
          HN    LYS+ 102 - HA    ILE  103   4.82 +/- 0.13   3.341% * 18.6510% (0.24   3.68  22.42) =   0.806%
          HN    GLU-  36 - HA    THR   39   8.61 +/- 0.74   0.155% *  0.3789% (0.90   0.02   0.21) =   0.001%
          HN    LYS+ 102 - HA    THR   39   8.88 +/- 0.51   0.090% *  0.3068% (0.73   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE  103  11.96 +/- 0.51   0.015% *  0.1347% (0.32   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  14.23 +/- 0.67   0.005% *  0.1252% (0.30   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  16.99 +/- 0.47   0.002% *  0.1368% (0.32   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  18.27 +/- 0.62   0.001% *  0.1737% (0.41   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  24.08 +/- 0.66   0.000% *  0.4141% (0.98   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  18.40 +/- 0.61   0.001% *  0.0574% (0.14   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  20.47 +/- 1.29   0.001% *  0.0215% (0.05   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  27.70 +/- 1.01   0.000% *  0.0652% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 4.14, residual support = 24.3:
      O   HN    LEU   40 - HA    THR   39   2.54 +/- 0.23  99.099% * 99.1582% (0.57   4.14  24.31) =  99.997%  kept
          HN    GLY  101 - HA    THR   39   7.42 +/- 0.60   0.310% *  0.5137% (0.61   0.02   0.02) =   0.002%
          HN    GLY  101 - HA    ILE  103   6.18 +/- 0.16   0.563% *  0.1697% (0.20   0.02   0.02) =   0.001%
          HN    LEU   40 - HA    ILE  103  10.08 +/- 0.29   0.028% *  0.1584% (0.19   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 1 structures by 0.03 A, kept.
 
    Peak 2535 (7.75, 3.86, 70.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.9, residual support = 38.4:
      O   HN    THR   39 - HB    THR   39   2.64 +/- 0.23  99.712% * 98.3449% (0.97   3.90  38.38) =  99.999%  kept
          HN    GLU-  36 - HB    THR   39   7.35 +/- 0.33   0.249% *  0.4685% (0.90   0.02   0.21) =   0.001%
          HN    LYS+ 102 - HB    THR   39  10.32 +/- 0.69   0.036% *  0.3793% (0.73   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    THR   39  16.09 +/- 0.83   0.002% *  0.2147% (0.41   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    THR   39  23.13 +/- 0.93   0.000% *  0.5120% (0.98   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   39  26.77 +/- 1.19   0.000% *  0.0806% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 4.0, residual support = 24.3:
          HN    LEU   40 - HB    THR   39   3.55 +/- 0.18  99.437% * 99.9107% (0.98   4.00  24.31) =  99.999%  kept
          HN    GLY  101 - HB    THR   39   8.55 +/- 0.70   0.563% *  0.0893% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2539 (8.16, 1.26, 21.81 ppm):
    15 chemical-shift based assignments, quality = 0.595, support = 0.02, residual support = 0.02:
          HN    LEU   71 - QG2   THR   39   2.96 +/- 0.89  99.681% *  9.9077% (0.60   0.02   0.02) =  99.842%  kept
          HN    GLU- 114 - QB    ALA   91  14.04 +/- 0.74   0.049% *  6.6763% (0.40   0.02   0.02) =   0.033%
          HN    PHE   60 - QB    ALA   91  12.97 +/- 0.49   0.109% *  2.3233% (0.14   0.02   0.02) =   0.026%
          HN    THR  118 - QG2   THR   39  16.02 +/- 0.56   0.023% *  8.1660% (0.49   0.02   0.02) =   0.019%
          HN    GLN  116 - QB    ALA   91  15.49 +/- 0.48   0.031% *  5.6891% (0.34   0.02   0.02) =   0.018%
          HN    PHE   60 - QG2   THR   39  14.25 +/- 0.63   0.027% *  4.9200% (0.30   0.02   0.02) =   0.014%
          HN    GLN  116 - QG2   THR   39  18.36 +/- 0.57   0.010% * 12.0477% (0.72   0.02   0.02) =   0.012%
          HN    LEU   71 - QG2   THR   23  16.90 +/- 0.25   0.020% *  5.5597% (0.33   0.02   0.02) =   0.011%
          HN    GLU- 114 - QG2   THR   39  20.21 +/- 0.54   0.006% * 14.1381% (0.85   0.02   0.02) =   0.009%
          HN    THR  118 - QB    ALA   91  16.33 +/- 0.85   0.020% *  3.8562% (0.23   0.02   0.02) =   0.008%
          HN    PHE   60 - QG2   THR   23  18.42 +/- 0.32   0.012% *  2.7609% (0.17   0.02   0.02) =   0.003%
          HN    LEU   71 - QB    ALA   91  19.88 +/- 0.69   0.006% *  4.6786% (0.28   0.02   0.02) =   0.003%
          HN    GLU- 114 - QG2   THR   23  25.45 +/- 0.32   0.002% *  7.9335% (0.48   0.02   0.02) =   0.001%
          HN    GLN  116 - QG2   THR   23  25.16 +/- 0.38   0.002% *  6.7605% (0.41   0.02   0.02) =   0.001%
          HN    THR  118 - QG2   THR   23  24.79 +/- 0.22   0.002% *  4.5823% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.44 A violated in 1 structures by 0.16 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 = 3.82, residual support = 24.3:
          HN    LEU   40 - QG2   THR   39   2.17 +/- 0.50  99.999% * 99.4625% (0.66   3.82  24.31) = 100.000%  kept
          HN    LEU   40 - QG2   THR   23  19.65 +/- 0.37   0.000% *  0.2919% (0.37   0.02   0.02) =   0.000%
          HN    LEU   40 - QB    ALA   91  21.63 +/- 1.03   0.000% *  0.2456% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2541 (7.74, 1.25, 21.56 ppm):
    24 chemical-shift based assignments, quality = 0.579, support = 3.63, residual support = 17.3:
      O   HN    ALA   91 - QB    ALA   91   2.53 +/- 0.27  81.752% * 58.7945% (0.61   3.62  14.43) =  88.157%  kept
          HN    THR   39 - QG2   THR   39   3.48 +/- 0.48  17.011% * 37.9554% (0.38   3.74  38.38) =  11.842%  kept
          HN    TRP   27 - QG2   THR   23   5.37 +/- 0.06   0.992% *  0.0520% (0.10   0.02   2.37) =   0.001%
          HD1   TRP   87 - QB    ALA   91   9.24 +/- 0.98   0.034% *  0.4097% (0.76   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   39   7.76 +/- 0.75   0.109% *  0.0950% (0.18   0.02   0.21) =   0.000%
          HN    LYS+ 102 - QG2   THR   39   9.03 +/- 0.78   0.069% *  0.0564% (0.11   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   91  11.79 +/- 1.41   0.008% *  0.1337% (0.25   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA   91  14.23 +/- 0.78   0.003% *  0.2820% (0.53   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   91  16.27 +/- 0.32   0.001% *  0.4949% (0.92   0.02   0.02) =   0.000%
          HN    TRP   27 - QG2   THR   39  14.41 +/- 0.69   0.003% *  0.2337% (0.44   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   39  14.13 +/- 0.72   0.003% *  0.1332% (0.25   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   23  12.23 +/- 0.63   0.007% *  0.0431% (0.08   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   23  14.99 +/- 0.42   0.002% *  0.0342% (0.06   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   39  19.92 +/- 0.79   0.000% *  0.1935% (0.36   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   91  23.43 +/- 1.09   0.000% *  0.4292% (0.80   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    ALA   91  20.84 +/- 1.87   0.000% *  0.1193% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    ALA   91  23.46 +/- 1.16   0.000% *  0.2012% (0.38   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   39  22.51 +/- 0.94   0.000% *  0.1535% (0.29   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   23  16.43 +/- 0.10   0.001% *  0.0212% (0.04   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   THR   23  19.13 +/- 0.34   0.000% *  0.0451% (0.08   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   23  15.79 +/- 0.71   0.001% *  0.0141% (0.03   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   23  18.11 +/- 0.42   0.001% *  0.0297% (0.06   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   39  22.26 +/- 0.99   0.000% *  0.0631% (0.12   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   23  20.80 +/- 0.86   0.000% *  0.0125% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2542 (8.47, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 3.55, residual support = 14.2:
          HN    MET   92 - QB    ALA   91   3.04 +/- 0.57  98.207% * 96.9891% (0.87   3.55  14.21) =  99.990%  kept
          HN    THR   46 - QB    ALA   91   6.85 +/- 0.61   1.489% *  0.6170% (0.98   0.02   0.02) =   0.010%
          HN    LYS+  74 - QB    ALA   91  13.07 +/- 0.43   0.025% *  0.5460% (0.87   0.02   0.02) =   0.000%
          HN    LYS+  74 - QG2   THR   39  11.89 +/- 0.78   0.041% *  0.2578% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QB    ALA   91  12.11 +/- 0.32   0.035% *  0.2147% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  74 - QG2   THR   23   9.76 +/- 0.18   0.127% *  0.0574% (0.09   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   23  11.68 +/- 0.24   0.043% *  0.0649% (0.10   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   39  17.19 +/- 3.07   0.010% *  0.1564% (0.25   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   39  16.80 +/- 0.53   0.005% *  0.2914% (0.46   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   23  15.42 +/- 1.72   0.013% *  0.0574% (0.09   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   39  20.57 +/- 0.94   0.002% *  0.2578% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   39  21.25 +/- 0.52   0.001% *  0.1014% (0.16   0.02   0.02) =   0.000%
          HN    MET   11 - QB    ALA   91  31.56 +/- 2.74   0.000% *  0.3312% (0.53   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   23  22.64 +/- 3.45   0.001% *  0.0348% (0.06   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   23  24.08 +/- 0.39   0.001% *  0.0226% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2543 (4.39, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.625, support = 5.76, residual support = 99.8:
          HA    LEU   40 - QD2   LEU   40   2.44 +/- 0.33  84.518% * 63.0613% (0.61   6.08 108.68) =  90.729%  kept
          HA    LYS+  99 - QD2   LEU   40   3.40 +/- 0.31  15.396% * 35.3738% (0.80   2.59  12.46) =   9.271%  kept
          HA    ASN   35 - QD2   LEU   40   8.46 +/- 0.52   0.053% *  0.3155% (0.92   0.02   0.02) =   0.000%
          HA    LEU  123 - QD2   LEU   40  10.04 +/- 0.63   0.022% *  0.3387% (0.99   0.02   0.02) =   0.000%
          HA    ILE   56 - QD2   LEU   40  13.92 +/- 0.26   0.003% *  0.3233% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU   40  13.18 +/- 0.84   0.004% *  0.1405% (0.41   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU   40  14.43 +/- 0.19   0.002% *  0.1532% (0.45   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD2   LEU   40  16.37 +/- 0.37   0.001% *  0.1532% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU   40  18.39 +/- 1.19   0.001% *  0.1405% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2544 (4.40, 0.91, 26.66 ppm):
    11 chemical-shift based assignments, quality = 0.991, support = 4.61, residual support = 108.6:
          HA    LEU   40 - QD1   LEU   40   3.92 +/- 0.20  86.038% * 97.6236% (0.99   4.61 108.68) =  99.976%  kept
          HA    LYS+  99 - QD1   LEU   40   5.59 +/- 0.37  11.818% *  0.1319% (0.31   0.02  12.46) =   0.019%
          HA    LEU  123 - QD1   LEU   40   8.40 +/- 0.58   1.016% *  0.2593% (0.61   0.02   0.02) =   0.003%
          HA    ASN   35 - QD1   LEU   40   9.99 +/- 0.59   0.332% *  0.1916% (0.45   0.02   0.02) =   0.001%
          HA    GLU-  15 - QD1   LEU   40  11.51 +/- 0.68   0.150% *  0.3833% (0.90   0.02   0.02) =   0.001%
          HA    GLN   17 - QD1   LEU   40  10.27 +/- 0.38   0.282% *  0.1319% (0.31   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU   40  12.94 +/- 0.36   0.068% *  0.3946% (0.92   0.02   0.02) =   0.000%
          HA    SER   37 - QD1   LEU   40  10.90 +/- 0.19   0.193% *  0.1319% (0.31   0.02   0.02) =   0.000%
          HA    ILE   56 - QD1   LEU   40  13.20 +/- 0.46   0.060% *  0.2081% (0.49   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU   40  16.74 +/- 1.04   0.016% *  0.3833% (0.90   0.02   0.02) =   0.000%
          HA    THR   46 - QD1   LEU   40  15.09 +/- 0.44   0.027% *  0.1604% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2545 (2.77, 0.91, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 0.0198, residual support = 0.0198:
        T HB3   HIS  122 - QD1   LEU   40   5.15 +/- 1.04  90.217% * 30.4714% (0.69   0.02   0.02) =  95.550%  kept
          QE    LYS+ 121 - QD1   LEU   40   8.58 +/- 0.75   6.923% * 15.1316% (0.34   0.02   0.02) =   3.641%  kept
          QE    LYS+  74 - QD1   LEU   40   9.86 +/- 0.51   2.680% *  7.7688% (0.18   0.02   0.02) =   0.724%
          HB3   ASP-  78 - QD1   LEU   40  20.13 +/- 0.52   0.038% * 39.7836% (0.90   0.02   0.02) =   0.052%
          QB    CYS   50 - QD1   LEU   40  16.08 +/- 0.59   0.143% *  6.8446% (0.15   0.02   0.02) =   0.034%
    Distance limit 3.80 A violated in 15 structures by 1.32 A, eliminated.
    Peak unassigned.
 
    Peak 2546 (7.18, 0.91, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.862, support = 0.0199, residual support = 0.0199:
          QD    PHE   59 - QD1   LEU   40   8.30 +/- 0.39  81.745% * 23.0961% (0.84   0.02   0.02) =  79.337%  kept
          HE21  GLN   30 - QD1   LEU   40  11.26 +/- 1.01  15.237% * 27.6510% (1.00   0.02   0.02) =  17.705%  kept
          HD1   TRP   27 - QD1   LEU   40  14.59 +/- 0.44   2.786% * 23.0961% (0.84   0.02   0.02) =   2.703%  kept
          HH2   TRP   49 - QD1   LEU   40  22.18 +/- 0.78   0.232% * 26.1568% (0.95   0.02   0.02) =   0.255%
    Distance limit 3.83 A violated in 20 structures by 4.19 A, eliminated.
    Peak unassigned.
 
    Peak 2547 (7.18, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.879, support = 0.0199, residual support = 0.0199:
          QD    PHE   59 - QD2   LEU   40   9.22 +/- 0.24  66.898% * 23.0961% (0.84   0.02   0.02) =  63.686%  kept
          HE21  GLN   30 - QD2   LEU   40  10.99 +/- 0.88  25.290% * 27.6510% (1.00   0.02   0.02) =  28.824%  kept
          HD1   TRP   27 - QD2   LEU   40  13.31 +/- 0.38   7.393% * 23.0961% (0.84   0.02   0.02) =   7.038%  kept
          HH2   TRP   49 - QD2   LEU   40  21.59 +/- 0.77   0.419% * 26.1568% (0.95   0.02   0.02) =   0.452%
    Distance limit 3.65 A violated in 20 structures by 4.97 A, eliminated.
    Peak unassigned.
 
    Peak 2548 (9.01, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.68, residual support = 21.1:
          HN    VAL   41 - QD2   LEU   40   2.46 +/- 0.29 100.000% *100.0000% (0.73   4.68  21.09) = 100.000%  kept
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2549 (9.69, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.58, residual support = 10.7:
          HN    LEU   98 - QD2   LEU   40   2.22 +/- 0.27 100.000% *100.0000% (0.97   4.58  10.70) = 100.000%  kept
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2550 (8.88, 1.48, 42.31 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.96, residual support = 108.7:
      O   HN    LEU   40 - HB3   LEU   40   2.73 +/- 0.29  99.529% * 99.8725% (0.98   4.96 108.68) = 100.000%  kept
          HN    GLY  101 - HB3   LEU   40   7.66 +/- 1.14   0.469% *  0.0719% (0.18   0.02   0.02) =   0.000%
          HN    LEU   40 - HB3   LEU  115  18.21 +/- 0.94   0.001% *  0.0472% (0.12   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   LEU  115  20.38 +/- 0.81   0.001% *  0.0084% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2551 (8.89, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 5.13, residual support = 108.7:
      O   HN    LEU   40 - HB2   LEU   40   2.32 +/- 0.28  99.916% * 99.9641% (0.76   5.13 108.68) = 100.000%  kept
          HN    LEU   40 - HB2   LEU   67   7.98 +/- 0.61   0.084% *  0.0359% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 33.0:
          QG2   VAL   70 - HB2   LEU   40   2.50 +/- 0.66  83.524% * 99.9538% (0.80   3.99  33.04) =  99.991%  kept
          QG2   VAL   70 - HB2   LEU   67   3.75 +/- 0.45  16.476% *  0.0462% (0.07   0.02   0.35) =   0.009%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2553 (0.18, 1.48, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 33.0:
        T QG2   VAL   70 - HB3   LEU   40   2.84 +/- 0.72  99.973% * 99.9412% (0.98   3.99  33.04) = 100.000%  kept
        T QG2   VAL   70 - HB3   LEU  115  12.28 +/- 0.81   0.027% *  0.0588% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2554 (4.37, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.187, support = 5.12, residual support = 102.1:
      O T HA    LEU   40 - HG    LEU   40   3.27 +/- 0.16  75.634% * 47.0380% (0.18   5.40 108.68) =  93.914%  kept
          HA    ASP- 113 - HG    LEU  115   5.69 +/- 1.19   5.420% * 29.9503% (0.53   1.13   0.02) =   4.285%  kept
          HA    LYS+  99 - HG    LEU   40   5.42 +/- 0.38   3.946% * 15.9998% (0.98   0.33  12.46) =   1.667%
          HA    ILE   56 - HG    LEU  115   5.17 +/- 0.69   6.834% *  0.4998% (0.50   0.02   0.02) =   0.090%
          HA    PHE   59 - HG    LEU  115   5.12 +/- 0.73   7.637% *  0.1965% (0.20   0.02  25.43) =   0.040%
        T HA    ASN   35 - HG    LEU   40  10.40 +/- 0.61   0.078% *  0.8925% (0.90   0.02   0.02) =   0.002%
          HA    LEU  123 - HG    LEU   40  11.79 +/- 1.36   0.060% *  0.7606% (0.76   0.02   0.02) =   0.001%
          HA    LYS+  99 - HG    LEU   73  10.48 +/- 0.57   0.076% *  0.1819% (0.18   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU   73  10.51 +/- 0.42   0.073% *  0.1664% (0.17   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU   73   8.94 +/- 0.43   0.190% *  0.0325% (0.03   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU  115  14.06 +/- 0.62   0.013% *  0.4404% (0.44   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   40  13.69 +/- 0.30   0.015% *  0.3395% (0.34   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   40  16.59 +/- 0.45   0.005% *  0.8633% (0.87   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   40  20.15 +/- 0.75   0.002% *  0.9187% (0.92   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  115  20.02 +/- 0.88   0.001% *  0.5648% (0.57   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   73  16.39 +/- 0.31   0.005% *  0.1609% (0.16   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   73  15.41 +/- 0.23   0.007% *  0.0633% (0.06   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU   73  19.08 +/- 0.58   0.002% *  0.1418% (0.14   0.02   0.02) =   0.000%
        T HA    LEU   40 - HG    LEU  115  18.62 +/- 1.03   0.002% *  0.1009% (0.10   0.02   0.02) =   0.000%
        T HA    ASN   35 - HG    LEU  115  25.14 +/- 1.05   0.000% *  0.5168% (0.52   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   73  23.26 +/- 0.34   0.001% *  0.1713% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2556 (0.18, 1.46, 26.98 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.04, residual support = 33.0:
        T QG2   VAL   70 - HG    LEU   40   2.40 +/- 0.69  99.071% * 99.6225% (0.98   4.04  33.04) =  99.999%  kept
        T QG2   VAL   70 - HG    LEU   73   6.26 +/- 0.19   0.918% *  0.0920% (0.18   0.02   0.02) =   0.001%
        T QG2   VAL   70 - HG    LEU  115  13.34 +/- 0.84   0.011% *  0.2856% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2557 (0.17, 0.91, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.47, residual support = 33.0:
          QG2   VAL   70 - QD1   LEU   40   1.74 +/- 0.10 100.000% *100.0000% (0.80   3.47  33.04) = 100.000%  kept
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2558 (0.20, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.49, residual support = 33.0:
          QG2   VAL   70 - QD2   LEU   40   3.30 +/- 0.09 100.000% *100.0000% (0.53   4.49  33.04) = 100.000%  kept
    Distance limit 3.25 A violated in 0 structures by 0.07 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   9.78 +/- 0.38 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.63 A violated in 20 structures by 7.15 A, eliminated.
    Peak unassigned.
 
    Peak 2560 (1.47, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.77, support = 5.01, residual support = 108.7:
      O T HG    LEU   40 - QD2   LEU   40   2.10 +/- 0.02  65.264% * 34.9209% (0.65   4.32 108.68) =  50.701%  kept
      O   HB3   LEU   40 - QD2   LEU   40   2.47 +/- 0.50  34.603% * 64.0402% (0.90   5.72 108.68) =  49.298%  kept
          HG    LEU   67 - QD2   LEU   40   7.01 +/- 1.25   0.067% *  0.1908% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD2   LEU   40   8.14 +/- 0.75   0.024% *  0.0694% (0.28   0.02   0.02) =   0.000%
        T HG    LEU   73 - QD2   LEU   40   7.69 +/- 0.56   0.030% *  0.0494% (0.20   0.02   0.02) =   0.000%
          QB    ALA  120 - QD2   LEU   40  10.10 +/- 0.36   0.005% *  0.2491% (1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD2   LEU   40  11.66 +/- 0.71   0.002% *  0.1615% (0.65   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD2   LEU   40  13.00 +/- 0.82   0.001% *  0.2491% (1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD2   LEU   40  11.86 +/- 0.43   0.002% *  0.0694% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.62 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 = 0.254, support = 2.02, residual support = 12.5:
        T HB2   LYS+  99 - QD2   LEU   40   2.92 +/- 0.74  45.459% * 59.1826% (0.28   2.21  12.46) =  56.489%  kept
        T HB3   LYS+  99 - QD2   LEU   40   2.79 +/- 0.80  54.484% * 38.0344% (0.22   1.77  12.46) =  43.510%  kept
          HB    VAL   43 - QD2   LEU   40   7.38 +/- 0.30   0.052% *  0.7230% (0.38   0.02   0.02) =   0.001%
          QG1   ILE   56 - QD2   LEU   40  11.30 +/- 0.24   0.004% *  0.2972% (0.15   0.02   0.02) =   0.000%
          HB    ILE   89 - QD2   LEU   40  17.38 +/- 0.33   0.000% *  1.1683% (0.61   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   40  20.42 +/- 0.59   0.000% *  0.5945% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2562 (3.47, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.293, support = 0.0197, residual support = 0.0197:
          HB2   HIS  122 - QD2   LEU   40   6.35 +/- 0.69  84.759% * 19.5836% (0.31   0.02   0.02) =  89.852%  kept
          HA    LEU   63 - QD2   LEU   40   8.64 +/- 0.19  14.494% * 11.1120% (0.18   0.02   0.02) =   8.718%  kept
          HA    LYS+ 112 - QD2   LEU   40  14.86 +/- 0.32   0.574% * 35.9222% (0.57   0.02   0.02) =   1.116%
          HB2   HIS   22 - QD2   LEU   40  18.30 +/- 0.42   0.174% * 33.3822% (0.53   0.02   0.02) =   0.314%
    Distance limit 3.61 A violated in 20 structures by 2.57 A, eliminated.
    Peak unassigned.
 
    Peak 2563 (3.02, 0.98, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 4.01, residual support = 12.5:
          QE    LYS+  99 - QD2   LEU   40   3.59 +/- 0.34  99.103% * 98.6224% (0.69   4.01  12.46) =  99.994%  kept
          QE    LYS+ 102 - QD2   LEU   40   8.60 +/- 0.32   0.605% *  0.7163% (1.00   0.02   0.02) =   0.004%
          QE    LYS+  38 - QD2   LEU   40   9.81 +/- 0.58   0.292% *  0.6613% (0.92   0.02   0.02) =   0.002%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2564 (2.37, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 1.11, residual support = 1.53:
        T HB3   PHE   97 - QD2   LEU   40   2.56 +/- 0.30  99.713% * 93.3410% (0.84   1.11   1.53) =  99.994%  kept
          HB2   GLU- 100 - QD2   LEU   40   7.19 +/- 0.29   0.266% *  1.9998% (0.99   0.02   0.02) =   0.006%
          QG    GLN   32 - QD2   LEU   40  11.83 +/- 0.48   0.014% *  0.6882% (0.34   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD2   LEU   40  14.76 +/- 0.36   0.003% *  1.9086% (0.95   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD2   LEU   40  16.65 +/- 0.49   0.002% *  1.3052% (0.65   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD2   LEU   40  15.91 +/- 0.19   0.002% *  0.7572% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2565 (1.95, 0.91, 26.66 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.44, residual support = 108.7:
      O T HB2   LEU   40 - QD1   LEU   40   2.35 +/- 0.45  95.723% * 98.5824% (0.84   4.44 108.68) =  99.990%  kept
        T HB2   LEU   67 - QD1   LEU   40   4.38 +/- 0.54   4.127% *  0.2185% (0.41   0.02   0.02) =   0.010%
          HB    VAL   18 - QD1   LEU   40   8.83 +/- 0.90   0.087% *  0.3651% (0.69   0.02   0.02) =   0.000%
          HB3   MET   96 - QD1   LEU   40   9.02 +/- 0.33   0.060% *  0.2383% (0.45   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD1   LEU   40  18.81 +/- 0.43   0.001% *  0.4906% (0.92   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD1   LEU   40  14.80 +/- 0.88   0.003% *  0.1052% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2566 (1.96, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.44, residual support = 108.7:
      O   HB2   LEU   40 - QD2   LEU   40   2.95 +/- 0.32  99.042% * 96.0608% (0.34   5.44 108.68) =  99.991%  kept
        T HB2   LEU   67 - QD2   LEU   40   6.86 +/- 0.54   0.859% *  0.9281% (0.90   0.02   0.02) =   0.008%
          HB    VAL   18 - QD2   LEU   40  10.11 +/- 0.84   0.076% *  1.0349% (1.00   0.02   0.02) =   0.001%
          HB2   LEU  115 - QD2   LEU   40  12.82 +/- 0.41   0.017% *  0.5445% (0.53   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU   40  16.25 +/- 0.34   0.004% *  0.5037% (0.49   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU   40  19.57 +/- 0.19   0.001% *  0.9281% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.744, support = 4.53, residual support = 108.7:
      O   HG    LEU   40 - QD1   LEU   40   2.11 +/- 0.01  68.191% * 40.0344% (0.65   4.43 108.68) =  61.087%  kept
      O T HB3   LEU   40 - QD1   LEU   40   2.48 +/- 0.28  29.566% * 58.8022% (0.90   4.69 108.68) =  38.903%  kept
        T HG    LEU   67 - QD1   LEU   40   4.53 +/- 1.30   2.196% *  0.2137% (0.76   0.02   0.02) =   0.010%
          QB    ALA  120 - QD1   LEU   40   9.29 +/- 0.33   0.009% *  0.2790% (1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD1   LEU   40   7.97 +/- 0.47   0.024% *  0.0553% (0.20   0.02   0.02) =   0.000%
        T HB3   LEU  115 - QD1   LEU   40  11.21 +/- 0.84   0.003% *  0.1809% (0.65   0.02   0.02) =   0.000%
          HG    LEU  115 - QD1   LEU   40  12.29 +/- 0.87   0.002% *  0.2790% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   40  10.50 +/- 0.86   0.005% *  0.0777% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU   40  11.35 +/- 0.57   0.003% *  0.0777% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2568 (0.91, 1.94, 42.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 108.7:
      O T QD1   LEU   40 - HB2   LEU   40   2.35 +/- 0.45  75.448% * 99.3373% (1.00   4.44 108.68) =  99.987%  kept
      O   QD2   LEU   67 - HB2   LEU   67   3.01 +/- 0.27  21.846% *  0.0370% (0.08   0.02  62.04) =   0.011%
        T QD1   LEU   40 - HB2   LEU   67   4.38 +/- 0.54   2.492% *  0.0412% (0.09   0.02   0.02) =   0.001%
          QD2   LEU   67 - HB2   LEU   40   6.45 +/- 0.64   0.213% *  0.4012% (0.90   0.02   0.02) =   0.001%
          QG1   VAL  108 - HB2   LEU   40  17.69 +/- 0.34   0.001% *  0.1679% (0.38   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   67  17.68 +/- 0.40   0.000% *  0.0155% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2569 (0.91, 1.48, 42.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.69, residual support = 108.7:
      O T QD1   LEU   40 - HB3   LEU   40   2.48 +/- 0.28  99.608% * 99.3481% (1.00   4.69 108.68) =  99.999%  kept
          QD2   LEU   67 - HB3   LEU   40   6.72 +/- 0.72   0.294% *  0.3800% (0.90   0.02   0.02) =   0.001%
          QG1   VAL  108 - HB3   LEU  115   8.55 +/- 0.37   0.069% *  0.0187% (0.04   0.02   0.02) =   0.000%
        T QD1   LEU   40 - HB3   LEU  115  11.21 +/- 0.84   0.014% *  0.0497% (0.12   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB3   LEU  115  11.63 +/- 1.26   0.014% *  0.0446% (0.11   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU   40  17.34 +/- 0.35   0.001% *  0.1590% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2570 (0.99, 1.46, 26.98 ppm):
    21 chemical-shift based assignments, quality = 0.867, support = 4.32, residual support = 108.7:
      O T QD2   LEU   40 - HG    LEU   40   2.10 +/- 0.02  93.734% * 96.5800% (0.87   4.32 108.68) =  99.992%  kept
        T QD1   LEU   67 - HG    LEU   40   4.88 +/- 1.19   1.106% *  0.4302% (0.84   0.02   0.02) =   0.005%
          QD1   ILE  119 - HG    LEU  115   3.93 +/- 0.51   4.446% *  0.0522% (0.10   0.02  11.63) =   0.003%
          QG2   ILE  103 - HG    LEU   40   8.28 +/- 0.27   0.025% *  0.3740% (0.73   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   73   5.50 +/- 0.67   0.525% *  0.0168% (0.03   0.02   0.02) =   0.000%
        T QD2   LEU   40 - HG    LEU   73   7.69 +/- 0.56   0.043% *  0.0833% (0.16   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU   40   8.00 +/- 0.83   0.035% *  0.0902% (0.18   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU   73   7.98 +/- 0.43   0.033% *  0.0833% (0.16   0.02   0.30) =   0.000%
        T QD1   LEU   67 - HG    LEU   73   8.90 +/- 0.80   0.021% *  0.0802% (0.16   0.02   0.02) =   0.000%
        T QD1   LEU   67 - HG    LEU  115  10.86 +/- 1.04   0.006% *  0.2490% (0.48   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG    LEU   73   9.56 +/- 0.43   0.011% *  0.0582% (0.11   0.02  45.45) =   0.000%
          HB    VAL   75 - HG    LEU   40  14.03 +/- 0.99   0.001% *  0.4467% (0.87   0.02   0.02) =   0.000%
        T QD2   LEU   40 - HG    LEU  115  13.00 +/- 0.82   0.002% *  0.2586% (0.50   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   40  11.45 +/- 0.83   0.004% *  0.0902% (0.18   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU  115  13.24 +/- 0.64   0.002% *  0.2165% (0.42   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   73  11.56 +/- 0.60   0.004% *  0.0697% (0.14   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG    LEU   40  15.41 +/- 1.35   0.001% *  0.3124% (0.61   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU  115  16.55 +/- 1.51   0.000% *  0.2586% (0.50   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG    LEU  115  15.41 +/- 1.10   0.001% *  0.1808% (0.35   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   73  14.22 +/- 0.77   0.001% *  0.0168% (0.03   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU  115  17.51 +/- 0.80   0.000% *  0.0522% (0.10   0.02   0.02) =   0.000%
    Distance limit 2.67 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 = 0.843, support = 3.58, residual support = 63.7:
      O T QG2   VAL   41 - QG1   VAL   41   2.10 +/- 0.02  70.759% * 70.2333% (0.87   3.84  70.85) =  86.513%  kept
          QD2   LEU   98 - QG1   VAL   41   2.68 +/- 0.63  28.122% * 27.5442% (0.69   1.90  17.95) =  13.484%  kept
        T QD1   LEU   73 - QG1   VAL   41   4.60 +/- 0.32   0.700% *  0.1301% (0.31   0.02   0.62) =   0.002%
          QD2   LEU   63 - QG2   VAL   18   7.51 +/- 0.52   0.040% *  0.2889% (0.69   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG2   VAL   18   6.45 +/- 0.65   0.115% *  0.0994% (0.24   0.02   0.02) =   0.000%
        T QG2   VAL   41 - QG2   VAL   18   7.99 +/- 0.52   0.025% *  0.2794% (0.66   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   7.20 +/- 0.36   0.046% *  0.0994% (0.24   0.02   0.02) =   0.000%
          QD2   LEU   63 - QG1   VAL   41   9.20 +/- 0.70   0.011% *  0.3780% (0.90   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   8.73 +/- 0.45   0.014% *  0.1301% (0.31   0.02   0.02) =   0.000%
        T QD2   LEU   98 - QD2   LEU  104   6.23 +/- 0.24   0.103% *  0.0156% (0.04   0.02   7.82) =   0.000%
          QD2   LEU   98 - QG2   VAL   18  10.57 +/- 0.53   0.005% *  0.2213% (0.52   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG1   VAL   41  11.61 +/- 0.57   0.002% *  0.2895% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG2   VAL   18  11.69 +/- 1.17   0.003% *  0.2213% (0.52   0.02   0.02) =   0.000%
        T QG2   VAL   41 - QD2   LEU  104   7.86 +/- 0.34   0.026% *  0.0196% (0.05   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU  104   8.86 +/- 0.51   0.013% *  0.0203% (0.05   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104   9.05 +/- 0.39   0.011% *  0.0070% (0.02   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  10.54 +/- 0.35   0.004% *  0.0070% (0.02   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD2   LEU  104  16.75 +/- 0.63   0.000% *  0.0156% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2572 (1.30, 0.55, 21.65 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 1.39, residual support = 9.4:
          QB    ALA   34 - QG2   VAL   41   2.50 +/- 0.43  99.766% * 83.0736% (0.18   1.39   9.40) =  99.994%  kept
          HG2   LYS+  99 - QG2   VAL   41   7.90 +/- 0.43   0.138% *  1.3525% (0.20   0.02   0.02) =   0.002%
          QG2   THR   77 - QG2   VAL   41  10.59 +/- 0.31   0.027% *  6.4648% (0.95   0.02   0.02) =   0.002%
          HG2   LYS+  38 - QG2   VAL   41   9.14 +/- 0.71   0.052% *  1.9001% (0.28   0.02   0.02) =   0.001%
          QG2   THR   23 - QG2   VAL   41  11.58 +/- 0.24   0.015% *  3.0639% (0.45   0.02   0.02) =   0.001%
          QB    ALA   88 - QG2   VAL   41  15.94 +/- 0.60   0.002% *  4.1451% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2573 (1.42, 0.55, 21.65 ppm):
    13 chemical-shift based assignments, quality = 0.322, support = 1.19, residual support = 8.06:
          HG    LEU   73 - QG2   VAL   41   2.78 +/- 0.54  87.844% * 12.7484% (0.31   0.43   0.62) =  57.048%  kept
        T QB    LEU   98 - QG2   VAL   41   4.41 +/- 0.55  11.541% * 72.9760% (0.34   2.21  17.95) =  42.903%  kept
          HG12  ILE   19 - QG2   VAL   41   7.87 +/- 0.81   0.288% *  1.9293% (1.00   0.02   0.02) =   0.028%
          HB3   LEU   67 - QG2   VAL   41   8.78 +/- 0.33   0.108% *  1.3282% (0.69   0.02   0.02) =   0.007%
          HB3   LYS+  74 - QG2   VAL   41   9.10 +/- 0.32   0.077% *  1.1728% (0.61   0.02   0.02) =   0.005%
          HG    LEU   80 - QG2   VAL   41  10.72 +/- 0.78   0.030% *  1.8660% (0.97   0.02   0.02) =   0.003%
          QB    ALA   61 - QG2   VAL   41  11.40 +/- 0.20   0.021% *  1.6150% (0.84   0.02   0.02) =   0.002%
        T HB2   LEU   80 - QG2   VAL   41  11.51 +/- 0.43   0.019% *  1.5483% (0.80   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - QG2   VAL   41  10.45 +/- 0.68   0.037% *  0.4305% (0.22   0.02   0.02) =   0.001%
          QB    ALA  110 - QG2   VAL   41  13.49 +/- 0.37   0.007% *  1.8953% (0.98   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QG2   VAL   41  13.51 +/- 0.90   0.009% *  1.2508% (0.65   0.02   0.02) =   0.001%
          QG    LYS+  66 - QG2   VAL   41  12.79 +/- 0.32   0.011% *  0.9412% (0.49   0.02   0.02) =   0.001%
          QB    ALA   12 - QG2   VAL   41  15.00 +/- 1.70   0.008% *  0.2983% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.01 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  11.19 +/- 0.51 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.04 A violated in 20 structures by 8.15 A, eliminated.
    Peak unassigned.
 
    Peak 2575 (9.01, 1.84, 34.57 ppm):
    1 chemical-shift based assignment, quality = 0.472, support = 4.37, residual support = 70.8:
      O   HN    VAL   41 - HB    VAL   41   3.11 +/- 0.30 100.000% *100.0000% (0.47   4.37  70.85) = 100.000%  kept
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2577 (9.70, 0.76, 22.78 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 2.64, residual support = 18.0:
          HN    LEU   98 - QG1   VAL   41   3.55 +/- 0.43  91.075% * 99.3852% (0.98   2.64  17.95) =  99.995%  kept
          HN    LEU   98 - QD2   LEU  104   5.38 +/- 0.14   8.827% *  0.0404% (0.05   0.02   7.82) =   0.004%
          HN    LEU   98 - QG2   VAL   18  11.45 +/- 0.69   0.097% *  0.5745% (0.75   0.02   0.02) =   0.001%
    Distance limit 3.79 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2578 (7.28, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.606, support = 0.0197, residual support = 0.0197:
          QD    PHE   60 - HB    VAL   41  10.24 +/- 0.28  67.412% * 34.1212% (0.66   0.02   0.02) =  80.337%  kept
          QE    PHE   59 - HB    VAL   41  12.47 +/- 1.02  22.415% * 12.0603% (0.23   0.02   0.02) =   9.442%  kept
          HN    LYS+  66 - HB    VAL   41  14.48 +/- 0.30   8.688% * 29.5320% (0.57   0.02   0.02) =   8.961%  kept
          HN    LYS+  81 - HB    VAL   41  19.41 +/- 0.62   1.486% * 24.2865% (0.47   0.02   0.02) =   1.260%
    Distance limit 3.73 A violated in 20 structures by 5.87 A, eliminated.
    Peak unassigned.
 
    Peak 2579 (8.94, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 5.1, residual support = 23.1:
      O   HN    VAL   42 - HA    VAL   41   2.19 +/- 0.00  99.531% * 99.2469% (0.98   5.10  23.13) =  99.998%  kept
          HN    LEU   73 - HA    VAL   41   5.47 +/- 0.24   0.422% *  0.3895% (0.98   0.02   0.62) =   0.002%
          HN    ILE   19 - HA    VAL   41   7.96 +/- 0.37   0.044% *  0.2410% (0.61   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   41  12.95 +/- 0.23   0.002% *  0.1226% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.01 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 = 40.5:
      O   HN    VAL   43 - HA    VAL   42   2.20 +/- 0.02 100.000% * 99.9066% (0.90   5.04  40.49) = 100.000%  kept
          HN    VAL   43 - HA    PHE   55  16.91 +/- 0.29   0.000% *  0.0934% (0.21   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 0.339, support = 0.0199, residual support = 0.0199:
          QD2   LEU   31 - QG2   VAL   41   3.07 +/- 0.32  99.760% * 16.0745% (0.34   0.02   0.02) =  99.402%  kept
          QG2   VAL   83 - QG2   VAL   41   9.15 +/- 0.40   0.171% * 37.7342% (0.80   0.02   0.02) =   0.400%
          QD1   ILE   89 - QG2   VAL   41  10.76 +/- 0.69   0.069% * 46.1912% (0.98   0.02   0.02) =   0.198%
    Distance limit 3.02 A violated in 4 structures by 0.15 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 = 0.682, support = 0.0193, residual support = 12.8:
        T HB    VAL   41 - HB    VAL   42   6.32 +/- 0.22  40.168% *  8.6109% (0.84   0.02  23.13) =  53.204%  kept
          HB2   LEU   71 - HB    VAL   42   6.68 +/- 0.25  28.912% *  4.3431% (0.42   0.02   2.45) =  19.315%  kept
          QB    LYS+  66 - HB    VAL   42   8.48 +/- 0.34   7.116% *  8.9028% (0.87   0.02   0.02) =   9.745%  kept
          HB3   PRO   52 - HB2   LYS+ 112   7.96 +/- 0.76  11.477% *  3.8192% (0.37   0.02   0.02) =   6.742%  kept
          HG2   PRO   93 - HB2   LYS+ 112   8.97 +/- 0.63   5.233% *  5.4621% (0.53   0.02   0.02) =   4.396%  kept
          HG12  ILE  103 - HB    VAL   42  10.44 +/- 1.03   2.548% *  7.7397% (0.75   0.02   0.02) =   3.033%  kept
          QB    LYS+  65 - HB    VAL   42  10.20 +/- 0.40   2.357% *  4.6944% (0.46   0.02   0.02) =   1.702%
        T QB    LYS+ 102 - HB    VAL   42  12.28 +/- 0.66   0.792% *  5.7721% (0.56   0.02   0.02) =   0.703%
          HG    LEU  123 - HB    VAL   42  13.04 +/- 0.80   0.579% *  5.4118% (0.53   0.02   0.02) =   0.482%
          HG2   PRO   93 - HB    VAL   42  15.75 +/- 0.65   0.171% *  7.7397% (0.75   0.02   0.02) =   0.204%
          QB    LYS+  66 - HB2   LYS+ 112  15.32 +/- 0.58   0.201% *  6.2829% (0.61   0.02   0.02) =   0.194%
          HG    LEU  123 - HB2   LYS+ 112  16.20 +/- 0.87   0.146% *  3.8192% (0.37   0.02   0.02) =   0.086%
          QB    LYS+  65 - HB2   LYS+ 112  15.96 +/- 0.61   0.157% *  3.3129% (0.32   0.02   0.02) =   0.080%
          HB3   PRO   52 - HB    VAL   42  18.21 +/- 0.98   0.073% *  5.4118% (0.53   0.02   0.02) =   0.061%
          HG12  ILE  103 - HB2   LYS+ 112  21.59 +/- 0.66   0.026% *  5.4621% (0.53   0.02   0.02) =   0.022%
        T HB    VAL   41 - HB2   LYS+ 112  23.29 +/- 0.94   0.016% *  6.0769% (0.59   0.02   0.02) =   0.015%
        T QB    LYS+ 102 - HB2   LYS+ 112  23.22 +/- 0.41   0.016% *  4.0735% (0.40   0.02   0.02) =   0.010%
          HB2   LEU   71 - HB2   LYS+ 112  24.56 +/- 0.55   0.012% *  3.0650% (0.30   0.02   0.02) =   0.005%
    Distance limit 3.33 A violated in 20 structures by 2.13 A, eliminated.
    Peak unassigned.
 
    Peak 2584 (8.96, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 5.18, residual support = 82.7:
          HN    VAL   42 - QG2   VAL   42   2.60 +/- 0.34  88.633% * 70.0024% (0.64   5.33  86.85) =  95.048%  kept
          HN    LEU   73 - QG2   VAL   42   4.39 +/- 1.29  10.890% * 29.6773% (0.64   2.26   3.07) =   4.951%  kept
          HN    LYS+ 106 - QG2   VAL   42   8.53 +/- 1.07   0.193% *  0.2628% (0.64   0.02   0.02) =   0.001%
          HN    ILE   19 - QG2   VAL   42   6.98 +/- 1.27   0.284% *  0.0575% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2585 (9.17, 0.15, 20.83 ppm):
    1 chemical-shift based assignment, quality = 0.718, support = 5.17, residual support = 40.5:
          HN    VAL   43 - QG2   VAL   42   3.91 +/- 0.14 100.000% *100.0000% (0.72   5.17  40.49) = 100.000%  kept
    Distance limit 3.90 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2586 (4.44, 0.37, 21.48 ppm):
    14 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 86.8:
      O T HA    VAL   42 - QG1   VAL   42   2.39 +/- 0.19  90.775% * 96.9099% (0.97   4.00  86.85) =  99.979%  kept
          HA    THR   46 - QB    ALA   47   3.78 +/- 0.05   6.233% *  0.2202% (0.44   0.02  12.65) =   0.016%
          HA    GLN   90 - QB    ALA   47   4.39 +/- 0.48   2.846% *  0.1570% (0.31   0.02   0.02) =   0.005%
        T HA    GLN   17 - QG1   VAL   42   8.76 +/- 0.60   0.049% *  0.2939% (0.59   0.02   0.02) =   0.000%
          HA    THR   46 - QG1   VAL   42  10.08 +/- 0.29   0.019% *  0.2549% (0.51   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   47   9.39 +/- 0.62   0.034% *  0.1163% (0.23   0.02   0.02) =   0.000%
          HA    ALA  110 - QG1   VAL   42   9.79 +/- 0.22   0.021% *  0.1347% (0.27   0.02   0.02) =   0.000%
        T HA    PHE   55 - QB    ALA   47  11.05 +/- 0.67   0.012% *  0.2369% (0.47   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG1   VAL   42  12.63 +/- 0.26   0.005% *  0.2743% (0.55   0.02   0.02) =   0.000%
        T HA    VAL   42 - QB    ALA   47  14.66 +/- 0.18   0.002% *  0.4184% (0.83   0.02   0.02) =   0.000%
          HA    SER   37 - QG1   VAL   42  14.03 +/- 0.27   0.002% *  0.2939% (0.59   0.02   0.02) =   0.000%
        T HA    GLN   17 - QB    ALA   47  16.55 +/- 0.49   0.001% *  0.2538% (0.51   0.02   0.02) =   0.000%
          HA    GLN   90 - QG1   VAL   42  15.75 +/- 0.63   0.001% *  0.1819% (0.36   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   47  25.20 +/- 0.34   0.000% *  0.2538% (0.51   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.931, support = 2.0, residual support = 6.58:
          QD    PHE   60 - QG1   VAL   42   3.15 +/- 0.20  85.055% * 95.7289% (0.93   2.00   6.58) =  99.934%  kept
          QE    PHE   59 - QG1   VAL   42   4.85 +/- 0.87  14.296% *  0.3384% (0.33   0.02   0.02) =   0.059%
          HN    LYS+  66 - QG1   VAL   42   7.58 +/- 0.23   0.457% *  0.8285% (0.81   0.02   0.02) =   0.005%
          QD    PHE   60 - QB    ALA   47  10.15 +/- 0.38   0.078% *  0.8267% (0.80   0.02   0.02) =   0.001%
          HN    LYS+  81 - QB    ALA   47  10.08 +/- 0.56   0.088% *  0.5884% (0.57   0.02   0.02) =   0.001%
          QE    PHE   59 - QB    ALA   47  12.80 +/- 0.79   0.020% *  0.2922% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG1   VAL   42  16.75 +/- 0.49   0.004% *  0.6814% (0.66   0.02   0.02) =   0.000%
          HN    LYS+  66 - QB    ALA   47  18.48 +/- 0.37   0.002% *  0.7155% (0.70   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 1 structures by 0.14 A, kept.
 
    Peak 2588 (8.96, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.773, support = 4.92, residual support = 74.8:
          HN    VAL   42 - QG1   VAL   42   3.73 +/- 0.09  63.499% * 75.2852% (0.77   5.46  86.85) =  85.563%  kept
          HN    LEU   73 - QG1   VAL   42   4.19 +/- 0.41  34.148% * 23.6116% (0.77   1.71   3.07) =  14.431%  kept
          HN    LYS+ 106 - QG1   VAL   42   7.69 +/- 0.34   0.925% *  0.2759% (0.77   0.02   0.02) =   0.005%
          HN    ILE   19 - QG1   VAL   42   7.12 +/- 0.49   1.352% *  0.0603% (0.17   0.02   0.02) =   0.001%
          HN    LEU   73 - QB    ALA   47  13.12 +/- 0.22   0.035% *  0.2383% (0.67   0.02   0.02) =   0.000%
          HN    VAL   42 - QB    ALA   47  15.72 +/- 0.18   0.012% *  0.2383% (0.67   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QB    ALA   47  16.44 +/- 0.46   0.009% *  0.2383% (0.67   0.02   0.02) =   0.000%
          HN    ILE   19 - QB    ALA   47  14.28 +/- 0.35   0.021% *  0.0521% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2589 (9.19, 0.37, 21.48 ppm):
    4 chemical-shift based assignments, quality = 0.397, support = 5.17, residual support = 40.5:
          HN    VAL   43 - QG1   VAL   42   2.73 +/- 0.34  99.977% * 99.3986% (0.40   5.17  40.49) = 100.000%  kept
          HN    VAL   43 - QB    ALA   47  12.98 +/- 0.18   0.011% *  0.3323% (0.34   0.02   0.02) =   0.000%
          HN    VAL   24 - QB    ALA   47  13.61 +/- 0.67   0.009% *  0.1247% (0.13   0.02   0.02) =   0.000%
          HN    VAL   24 - QG1   VAL   42  15.50 +/- 0.49   0.004% *  0.1444% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2590 (9.40, 0.37, 21.48 ppm):
    2 chemical-shift based assignments, quality = 0.431, support = 0.0199, residual support = 0.0199:
          HN    LEU  104 - QG1   VAL   42   7.19 +/- 0.44  99.656% * 53.6601% (0.43   0.02   0.02) =  99.703%  kept
          HN    LEU  104 - QB    ALA   47  18.68 +/- 0.36   0.344% * 46.3399% (0.37   0.02   0.02) =   0.297%
    Distance limit 3.81 A violated in 20 structures by 3.38 A, eliminated.
    Peak unassigned.
 
    Peak 2591 (6.65, 0.37, 21.60 ppm):
    6 chemical-shift based assignments, quality = 0.292, support = 3.76, residual support = 14.9:
          HN    TRP   49 - QB    ALA   47   2.43 +/- 0.11  99.935% * 95.0977% (0.29   3.76  14.95) =  99.999%  kept
          HD22  ASN   69 - QG1   VAL   42   9.62 +/- 0.72   0.029% *  1.0476% (0.61   0.02   0.02) =   0.000%
          HE22  GLN   30 - QG1   VAL   42   9.58 +/- 0.68   0.032% *  0.9107% (0.53   0.02   0.02) =   0.000%
          HE22  GLN   30 - QB    ALA   47  14.10 +/- 0.93   0.003% *  1.1891% (0.69   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   42  15.57 +/- 0.32   0.002% *  0.3871% (0.22   0.02   0.02) =   0.000%
          HD22  ASN   69 - QB    ALA   47  23.01 +/- 0.77   0.000% *  1.3678% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.416, support = 2.22, residual support = 9.81:
      O   HN    ALA   47 - QB    ALA   47   2.34 +/- 0.05  85.462% * 62.6320% (0.39   2.36  10.61) =  91.167%  kept
          QD    PHE   95 - QG1   VAL   42   3.31 +/- 0.45  14.519% * 35.7187% (0.70   0.75   1.50) =   8.833%  kept
          QD    PHE   95 - QB    ALA   47  10.12 +/- 0.46   0.014% *  1.2436% (0.91   0.02   0.02) =   0.000%
          HN    ALA   47 - QG1   VAL   42  11.87 +/- 0.27   0.005% *  0.4058% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.62, support = 3.04, residual support = 27.0:
          HB    VAL   42 - QG1   VAL   43   5.00 +/- 0.29   9.072% * 63.4662% (0.62   4.82  40.49) =  54.225%  kept
        T HB3   LEU   73 - QG1   VAL   43   3.98 +/- 0.90  53.544% *  7.6546% (0.69   0.52  10.58) =  38.601%  kept
          HB3   ASP-  44 - QG1   VAL   43   6.19 +/- 0.22   2.589% * 26.0521% (0.34   3.62  15.36) =   6.353%  kept
          HG    LEU   98 - QG1   VAL   43   4.61 +/- 1.20  32.471% *  0.2481% (0.58   0.02   0.02) =   0.759%
          HG3   LYS+ 106 - QG1   VAL   43   7.48 +/- 0.96   1.300% *  0.3628% (0.85   0.02   0.02) =   0.044%
          HG3   LYS+  33 - QG1   VAL   43   9.41 +/- 0.69   0.218% *  0.2326% (0.54   0.02   0.02) =   0.005%
          QB    ALA   84 - QG1   VAL   43  10.19 +/- 0.29   0.125% *  0.2931% (0.69   0.02   0.02) =   0.003%
          HB3   PRO   93 - QG1   VAL   43  11.05 +/- 0.87   0.100% *  0.3071% (0.72   0.02   0.02) =   0.003%
          HB2   LEU   63 - QG1   VAL   43   9.14 +/- 0.33   0.235% *  0.1066% (0.25   0.02   0.02) =   0.002%
          HB3   LEU   80 - QG1   VAL   43   9.10 +/- 0.33   0.246% *  0.0759% (0.18   0.02   0.02) =   0.002%
          HG3   LYS+ 102 - QG1   VAL   43  12.05 +/- 0.71   0.048% *  0.3071% (0.72   0.02   0.02) =   0.001%
          HG3   LYS+  65 - QG1   VAL   43  13.29 +/- 0.52   0.026% *  0.2635% (0.62   0.02   0.02) =   0.001%
          QB    ALA  124 - QG1   VAL   43  15.14 +/- 0.67   0.012% *  0.2018% (0.47   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QG1   VAL   43  16.87 +/- 0.63   0.006% *  0.3327% (0.78   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   43  16.34 +/- 1.31   0.009% *  0.0956% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 6 structures by 0.37 A, kept.
 
    Peak 2594 (6.33, 0.76, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.285, support = 1.79, residual support = 8.54:
        T HH2   TRP   27 - QG1   VAL   43   1.90 +/- 0.25  81.823% * 39.0886% (0.31   1.39   8.54) =  74.284%  kept
        T HZ3   TRP   27 - QG1   VAL   43   2.63 +/- 0.58  18.177% * 60.9114% (0.22   2.96   8.54) =  25.716%  kept
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2595 (9.17, 0.76, 21.16 ppm):
    1 chemical-shift based assignment, quality = 0.804, support = 5.24, residual support = 60.0:
          HN    VAL   43 - QG1   VAL   43   2.50 +/- 0.28 100.000% *100.0000% (0.80   5.24  60.03) = 100.000%  kept
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2596 (8.80, 0.06, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.389, support = 3.7, residual support = 15.4:
          HN    ASP-  44 - QG2   VAL   43   2.65 +/- 0.17  92.239% * 97.7011% (0.39   3.70  15.36) =  99.978%  kept
          HN    ASN   28 - QD2   LEU   31   4.44 +/- 0.48   7.323% *  0.2469% (0.18   0.02  18.30) =   0.020%
          HN    ASN   28 - QG2   VAL   43   8.36 +/- 0.43   0.108% *  0.8604% (0.63   0.02   0.02) =   0.001%
          HN    ASP-  44 - QD2   LEU   31   7.69 +/- 0.23   0.166% *  0.1514% (0.11   0.02   0.02) =   0.000%
          HN    GLU-  25 - QD2   LEU   31   8.10 +/- 0.38   0.130% *  0.1407% (0.10   0.02   0.02) =   0.000%
          HN    GLU-  25 - QG2   VAL   43  10.69 +/- 0.41   0.024% *  0.4904% (0.36   0.02   0.02) =   0.000%
          HN    ASN   69 - QG2   VAL   43  13.71 +/- 0.23   0.005% *  0.3179% (0.23   0.02   0.02) =   0.000%
          HN    ASN   69 - QD2   LEU   31  13.50 +/- 0.26   0.005% *  0.0912% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2597 (9.17, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.866, support = 4.23, residual support = 60.0:
      O   HN    VAL   43 - HB    VAL   43   2.72 +/- 0.10 100.000% *100.0000% (0.87   4.23  60.03) = 100.000%  kept
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2598 (9.31, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.508, support = 1.5, residual support = 16.4:
          HN    MET   96 - HB    VAL   43   3.68 +/- 0.22 100.000% *100.0000% (0.51   1.50  16.41) = 100.000%  kept
    Distance limit 3.78 A violated in 1 structures by 0.04 A, kept.
 
    Peak 2599 (6.87, 1.34, 38.87 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.02, residual support = 12.8:
        T QD    PHE   45 - HB3   ASP-  44   5.66 +/- 0.23 100.000% *100.0000% (0.80   0.02  12.78) = 100.000%  kept
    Distance limit 3.87 A violated in 20 structures by 1.79 A, eliminated.
    Peak unassigned.
 
    Peak 2600 (8.78, 1.34, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.34, residual support = 34.9:
      O   HN    ASP-  44 - HB3   ASP-  44   3.17 +/- 0.16  99.991% * 99.1441% (0.98   3.34  34.88) = 100.000%  kept
          HN    ASN   28 - HB3   ASP-  44  16.04 +/- 0.48   0.006% *  0.2715% (0.45   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB3   ASP-  44  18.45 +/- 0.46   0.003% *  0.5844% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2601 (4.92, 2.27, 38.87 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 2.0, residual support = 6.0:
          HA    LYS+  74 - HB2   ASP-  44   3.47 +/- 0.26  99.894% * 99.1397% (0.92   2.00   6.00) =  99.999%  kept
        T HA    MET   92 - HB2   ASP-  44  11.05 +/- 0.39   0.106% *  0.8603% (0.80   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2602 (8.78, 2.27, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.03, residual support = 34.9:
      O   HN    ASP-  44 - HB2   ASP-  44   2.45 +/- 0.10  99.997% * 99.0568% (0.98   3.03  34.88) = 100.000%  kept
          HN    ASN   28 - HB2   ASP-  44  15.05 +/- 0.44   0.002% *  0.2992% (0.45   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   ASP-  44  17.21 +/- 0.44   0.001% *  0.6440% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2603 (8.77, 4.29, 51.33 ppm):
    4 chemical-shift based assignments, quality = 0.48, support = 3.91, residual support = 23.5:
      O   HN    PHE   45 - HA    ASP-  44   2.27 +/- 0.02  81.818% * 18.8355% (0.18   4.04  12.78) =  51.300%  kept
      O   HN    ASP-  44 - HA    ASP-  44   2.92 +/- 0.00  18.165% * 80.5379% (0.80   3.78  34.88) =  48.700%  kept
          HN    ALA  110 - HA    ASP-  44   9.68 +/- 0.69   0.016% *  0.1817% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  25 - HA    ASP-  44  17.45 +/- 0.41   0.000% *  0.4449% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 4.73:
          HA    PHE   95 - HA    ASP-  44   2.39 +/- 0.13 100.000% *100.0000% (0.87   2.00   4.73) = 100.000%  kept
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2605 (3.96, 3.05, 39.30 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 2.96, residual support = 27.2:
        T HB    THR   94 - HB2   PHE   45   3.11 +/- 0.21  99.838% * 93.5636% (0.65   2.96  27.20) =  99.999%  kept
          QB    SER   48 - HB2   PHE   45  11.04 +/- 0.30   0.054% *  0.7476% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PHE   45  13.48 +/- 0.22   0.016% *  0.9440% (0.97   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   PHE   45  12.09 +/- 1.31   0.037% *  0.3337% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   45  13.89 +/- 0.41   0.013% *  0.4761% (0.49   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PHE   45  12.79 +/- 0.45   0.025% *  0.1713% (0.18   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   45  15.19 +/- 0.35   0.008% *  0.2439% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PHE   45  19.07 +/- 0.38   0.002% *  0.9030% (0.92   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PHE   45  20.09 +/- 0.28   0.001% *  0.9253% (0.95   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   45  19.03 +/- 0.24   0.002% *  0.5538% (0.57   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PHE   45  20.98 +/- 0.42   0.001% *  0.9440% (0.97   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PHE   45  19.42 +/- 0.53   0.002% *  0.1936% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2606 (1.28, 3.05, 39.30 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 2.27, residual support = 10.7:
          QG2   THR   77 - HB2   PHE   45   3.76 +/- 0.08  93.967% * 95.3587% (0.45   2.27  10.72) =  99.944%  kept
          QG2   ILE   56 - HB2   PHE   45   6.05 +/- 0.39   5.828% *  0.8412% (0.45   0.02   0.02) =   0.055%
          QG2   THR   23 - HB2   PHE   45  14.01 +/- 0.23   0.035% *  1.7750% (0.95   0.02   0.02) =   0.001%
          QB    ALA   34 - HB2   PHE   45  13.46 +/- 0.33   0.045% *  1.2139% (0.65   0.02   0.02) =   0.001%
          QB    ALA   88 - HB2   PHE   45  11.47 +/- 0.46   0.123% *  0.2895% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   PHE   45  23.32 +/- 1.23   0.002% *  0.5217% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2607 (0.63, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 0.974, support = 0.0195, residual support = 2.94:
        T QG2   ILE   89 - HB2   PHE   45   5.03 +/- 0.29  95.771% * 57.3745% (1.00   0.02   3.01) =  97.618%  kept
          QG1   VAL   83 - HB2   PHE   45   8.88 +/- 0.74   4.069% * 32.5551% (0.57   0.02   2.31) =   2.353%
          QD1   LEU  104 - HB2   PHE   45  14.72 +/- 0.26   0.160% * 10.0704% (0.18   0.02   0.02) =   0.029%
    Distance limit 3.75 A violated in 20 structures by 1.28 A, eliminated.
    Peak unassigned.
 
    Peak 2608 (1.31, 2.42, 39.30 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.68, residual support = 10.7:
          QG2   THR   77 - HB3   PHE   45   2.41 +/- 0.08  99.937% * 97.2542% (0.87   2.68  10.72) = 100.000%  kept
          QB    ALA   88 - HB3   PHE   45  10.43 +/- 0.43   0.016% *  0.8287% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   PHE   45   8.92 +/- 0.58   0.042% *  0.1655% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   PHE   45  13.49 +/- 0.46   0.003% *  0.3138% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   PHE   45  15.80 +/- 0.48   0.001% *  0.2581% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   PHE   45  20.65 +/- 0.42   0.000% *  0.5409% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   PHE   45  23.67 +/- 0.73   0.000% *  0.6389% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2609 (0.64, 2.42, 39.30 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.02, residual support = 3.01:
        T QG2   ILE   89 - HB3   PHE   45   3.91 +/- 0.31 100.000% *100.0000% (0.69   0.02   3.01) = 100.000%  kept
    Distance limit 3.60 A violated in 12 structures by 0.35 A, eliminated.
    Peak unassigned.
 
    Peak 2610 (6.84, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.92, residual support = 77.2:
      O   QD    PHE   45 - HB2   PHE   45   2.53 +/- 0.08  99.997% * 98.4751% (0.65   3.92  77.24) = 100.000%  kept
          HD2   HIS  122 - HB2   PHE   45  15.24 +/- 0.31   0.002% *  0.6970% (0.90   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB2   PHE   45  19.48 +/- 0.70   0.000% *  0.6741% (0.87   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   PHE   45  20.51 +/- 1.02   0.000% *  0.1538% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2611 (8.75, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 3.66, residual support = 77.2:
      O   HN    PHE   45 - HB2   PHE   45   2.18 +/- 0.03  99.764% * 98.9612% (0.73   3.66  77.24) =  99.999%  kept
          HN    ASP-  44 - HB2   PHE   45   6.17 +/- 0.07   0.197% *  0.1658% (0.22   0.02  12.78) =   0.000%
          HN    ALA  110 - HB2   PHE   45   8.33 +/- 0.68   0.038% *  0.6874% (0.92   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PHE   45  16.92 +/- 0.44   0.000% *  0.1857% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2612 (6.84, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.62, residual support = 77.2:
      O   QD    PHE   45 - HB3   PHE   45   2.32 +/- 0.04  99.999% * 98.7038% (0.65   4.62  77.24) = 100.000%  kept
          HD2   HIS  122 - HB3   PHE   45  16.85 +/- 0.30   0.001% *  0.5924% (0.90   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB3   PHE   45  20.90 +/- 0.74   0.000% *  0.5730% (0.87   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   PHE   45  20.57 +/- 1.09   0.000% *  0.1307% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2613 (8.75, 2.42, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 3.99, residual support = 77.2:
      O   HN    PHE   45 - HB3   PHE   45   3.45 +/- 0.02  98.080% * 99.0458% (0.73   3.99  77.24) =  99.996%  kept
          HN    ASP-  44 - HB3   PHE   45   6.84 +/- 0.06   1.616% *  0.1523% (0.22   0.02  12.78) =   0.003%
          HN    ALA  110 - HB3   PHE   45   9.23 +/- 0.63   0.294% *  0.6314% (0.92   0.02   0.02) =   0.002%
          HN    GLU-  25 - HB3   PHE   45  15.92 +/- 0.42   0.010% *  0.1706% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2614 (5.04, 0.75, 18.88 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 1.2, residual support = 3.94:
          HA    ASP-  76 - QG2   THR   46   2.93 +/- 0.47 100.000% *100.0000% (0.41   1.20   3.94) = 100.000%  kept
    Distance limit 3.38 A violated in 1 structures by 0.02 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   2.37 +/- 0.24  99.308% * 97.6985% (0.76   3.39  34.52) =  99.996%  kept
          HN    LYS+  74 - QG2   THR   46   6.30 +/- 0.32   0.351% *  0.7550% (1.00   0.02   0.02) =   0.003%
          HN    MET   92 - QG2   THR   46   6.89 +/- 1.57   0.333% *  0.4274% (0.57   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   46  12.15 +/- 0.60   0.008% *  0.4884% (0.65   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   46  24.06 +/- 2.59   0.000% *  0.6306% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2616 (7.03, 0.75, 18.88 ppm):
    2 chemical-shift based assignments, quality = 0.249, support = 3.2, residual support = 12.6:
          HN    ALA   47 - QG2   THR   46   3.55 +/- 0.32  97.472% * 97.9474% (0.25   3.20  12.65) =  99.946%  kept
          QD    PHE   95 - QG2   THR   46   6.89 +/- 0.56   2.528% *  2.0526% (0.84   0.02   0.02) =   0.054%
    Distance limit 3.94 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2617 (2.82, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.298, support = 0.704, residual support = 0.412:
          QB    CYS   50 - QG2   THR   46   4.35 +/- 0.59  24.219% * 75.9834% (0.31   0.99   0.63) =  64.217%  kept
          QE    LYS+  74 - QG2   THR   46   3.14 +/- 0.80  75.517% * 13.5635% (0.28   0.20   0.02) =  35.743%  kept
          HB2   PHE   72 - QG2   THR   46   9.12 +/- 0.82   0.209% *  4.9766% (1.00   0.02   0.02) =   0.036%
          HA    ALA   64 - QG2   THR   46  11.32 +/- 0.48   0.053% *  2.0505% (0.41   0.02   0.02) =   0.004%
          HB3   ASN   69 - QG2   THR   46  18.56 +/- 0.40   0.003% *  3.4260% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 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 = 9.72:
      O   HN    SER   48 - HA    SER   48   2.79 +/- 0.02  99.996% * 99.4917% (0.49   2.61   9.72) = 100.000%  kept
          HN    SER   48 - HB2   SER   82  15.41 +/- 0.50   0.004% *  0.3348% (0.21   0.02   0.02) =   0.000%
          HN    SER   48 - HA    VAL   70  24.30 +/- 0.67   0.000% *  0.1735% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2620 (9.45, 3.94, 63.31 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.61, residual support = 9.72:
      O   HN    SER   48 - QB    SER   48   2.21 +/- 0.11  99.997% * 99.6158% (0.95   2.61   9.72) = 100.000%  kept
          HN    SER   48 - QB    SER   85  12.51 +/- 0.52   0.003% *  0.1859% (0.23   0.02   0.02) =   0.000%
          HN    SER   48 - QB    SER  117  22.11 +/- 0.46   0.000% *  0.1983% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.923, support = 3.98, residual support = 78.6:
      O   HN    TRP   49 - HB2   TRP   49   3.50 +/- 0.20  81.304% * 88.0985% (0.95   4.00  80.86) =  97.115%  kept
          HN    CYS   50 - HB2   TRP   49   4.51 +/- 0.06  18.695% * 11.3801% (0.15   3.17   3.23) =   2.885%  kept
          HE22  GLN   30 - HB2   TRP   49  21.58 +/- 1.04   0.002% *  0.4294% (0.92   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB2   TRP   49  32.27 +/- 0.83   0.000% *  0.0921% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 0.02, residual support = 80.8:
      O   HD1   TRP   49 - HB2   TRP   49   3.83 +/- 0.04  99.969% * 24.4691% (0.80   0.02  80.86) =  99.972%  kept
          HD2   HIS   22 - HB2   TRP   49  15.75 +/- 0.86   0.022% * 28.2088% (0.92   0.02   0.02) =   0.026%
          HN    THR   23 - HB2   TRP   49  18.73 +/- 0.67   0.008% *  4.7150% (0.15   0.02   0.02) =   0.001%
          HN    LEU   67 - HB2   TRP   49  26.93 +/- 0.54   0.001% * 13.7002% (0.45   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   TRP   49  32.21 +/- 1.02   0.000% * 28.9069% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 13 structures by 0.31 A, eliminated.
    Peak unassigned.
 
    Peak 2623 (6.63, 3.15, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 4.0, residual support = 80.8:
      O   HN    TRP   49 - HB3   TRP   49   3.23 +/- 0.20  86.682% * 99.3311% (0.79   4.00  80.86) =  99.987%  kept
          HN    CYS   50 - HB3   TRP   49   4.53 +/- 0.28  13.316% *  0.0809% (0.13   0.02   3.23) =   0.013%
          HE22  GLN   30 - HB3   TRP   49  21.00 +/- 1.28   0.001% *  0.4842% (0.77   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB3   TRP   49  31.93 +/- 1.05   0.000% *  0.1038% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 4.64, residual support = 80.9:
      O   HD1   TRP   49 - HB3   TRP   49   2.73 +/- 0.08  99.994% * 98.6864% (0.67   4.64  80.86) = 100.000%  kept
          HD2   HIS   22 - HB3   TRP   49  15.03 +/- 1.14   0.004% *  0.4906% (0.77   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   TRP   49  18.06 +/- 1.22   0.001% *  0.0820% (0.13   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   49  26.60 +/- 0.78   0.000% *  0.2383% (0.37   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   TRP   49  31.86 +/- 1.09   0.000% *  0.5027% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2625 (2.64, 3.15, 29.61 ppm):
    3 chemical-shift based assignments, quality = 0.71, support = 0.0196, residual support = 0.0196:
          HB2   PRO   52 - HB3   TRP   49  11.42 +/- 1.53  96.282% * 45.9163% (0.72   0.02   0.02) =  97.951%  kept
          HB2   ASP-  62 - HB3   TRP   49  23.02 +/- 0.91   1.645% * 45.9163% (0.72   0.02   0.02) =   1.674%
          HG2   MET   96 - HB3   TRP   49  22.24 +/- 0.82   2.073% *  8.1674% (0.13   0.02   0.02) =   0.375%
    Distance limit 3.92 A violated in 20 structures by 7.51 A, eliminated.
    Peak unassigned.
 
    Peak 2626 (2.40, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.449, support = 0.0199, residual support = 0.0199:
          QG    GLU-  79 - HB3   TRP   49  11.69 +/- 1.21  58.333% * 13.9029% (0.41   0.02   0.02) =  53.623%  kept
          HB3   PHE   45 - HB3   TRP   49  12.95 +/- 0.45  31.737% * 16.1708% (0.47   0.02   0.02) =  33.934%  kept
          QE    LYS+ 112 - HB3   TRP   49  16.95 +/- 0.85   6.623% * 16.1708% (0.47   0.02   0.02) =   7.082%  kept
          HB    VAL  107 - HB3   TRP   49  19.89 +/- 1.18   2.630% * 27.0190% (0.79   0.02   0.02) =   4.699%  kept
          QG    GLN   32 - HB3   TRP   49  26.94 +/- 1.00   0.390% * 22.8711% (0.67   0.02   0.02) =   0.589%
          HG2   GLU-  29 - HB3   TRP   49  28.18 +/- 1.15   0.287% *  3.8655% (0.11   0.02   0.02) =   0.073%
    Distance limit 3.97 A violated in 20 structures by 6.61 A, eliminated.
    Peak unassigned.
 
    Peak 2627 (0.38, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.6, residual support = 7.51:
          QB    ALA   47 - QB    CYS   50   2.62 +/- 0.63  99.902% * 98.8165% (0.65   3.60   7.51) = 100.000%  kept
          QB    ALA   64 - QB    CYS   50  12.33 +/- 0.82   0.030% *  0.5486% (0.65   0.02   0.02) =   0.000%
          QG1   VAL   42 - QB    CYS   50  11.63 +/- 0.49   0.032% *  0.4461% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QB    CYS   50  11.06 +/- 0.67   0.035% *  0.1888% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2628 (3.83, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.935, support = 1.68, residual support = 6.88:
        T HB2   CYS   53 - QB    CYS   50   2.33 +/- 0.47  78.827% * 46.5746% (1.00   1.50   8.77) =  76.984%  kept
          HD3   PRO   52 - QB    CYS   50   3.52 +/- 1.34  21.109% * 51.9960% (0.73   2.30   0.53) =  23.016%  kept
          HD2   PRO   58 - QB    CYS   50   8.61 +/- 0.49   0.060% *  0.3029% (0.49   0.02   0.02) =   0.000%
          HA    VAL   83 - QB    CYS   50  15.26 +/- 0.61   0.002% *  0.2559% (0.41   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    CYS   50  20.40 +/- 0.78   0.000% *  0.4984% (0.80   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    CYS   50  16.49 +/- 0.47   0.001% *  0.1386% (0.22   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    CYS   50  25.63 +/- 0.46   0.000% *  0.2336% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.791, support = 1.5, residual support = 6.56:
      O   HN    CYS   50 - QB    CYS   50   2.43 +/- 0.21  95.217% * 41.4833% (0.80   1.43   6.79) =  93.433%  kept
          HN    TRP   49 - QB    CYS   50   4.00 +/- 0.31   4.779% * 58.0895% (0.65   2.48   3.23) =   6.567%  kept
          HN    VAL   83 - QB    CYS   50  14.45 +/- 0.52   0.002% *  0.2468% (0.34   0.02   0.02) =   0.000%
          HE22  GLN   30 - QB    CYS   50  15.75 +/- 1.09   0.002% *  0.1804% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2630 (3.94, 4.27, 48.66 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 2.81, residual support = 9.36:
      O T HA2   GLY   51 - HA1   GLY   51   1.75 +/- 0.00  99.994% * 94.9840% (0.87   2.81   9.36) = 100.000%  kept
        T QB    SER   48 - HA1   GLY   51   9.28 +/- 0.54   0.005% *  0.7779% (1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA1   GLY   51  14.79 +/- 0.87   0.000% *  0.7524% (0.97   0.02   0.02) =   0.000%
        T QB    SER  117 - HA1   GLY   51  19.49 +/- 0.67   0.000% *  0.4729% (0.61   0.02   0.02) =   0.000%
        T QB    SER   85 - HA1   GLY   51  19.83 +/- 0.48   0.000% *  0.5044% (0.65   0.02   0.02) =   0.000%
          HA    PHE   60 - HA1   GLY   51  17.07 +/- 0.27   0.000% *  0.1055% (0.14   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA1   GLY   51  23.34 +/- 0.44   0.000% *  0.4414% (0.57   0.02   0.02) =   0.000%
          HA    ALA  120 - HA1   GLY   51  25.44 +/- 0.54   0.000% *  0.7375% (0.95   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA1   GLY   51  26.62 +/- 0.57   0.000% *  0.7197% (0.92   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA1   GLY   51  26.00 +/- 0.76   0.000% *  0.5044% (0.65   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 0.933, support = 1.34, residual support = 9.92:
          QB    PHE   55 - HB2   PRO   52   3.87 +/- 0.61  88.752% * 14.0272% (0.92   0.75   1.18) =  82.425%  kept
          HB3   CYS   53 - HB2   PRO   52   6.95 +/- 0.45   3.128% * 83.8591% (0.99   4.18  51.51) =  17.366%  kept
          HD3   PRO   93 - HB2   PRO   52   6.58 +/- 1.16   7.464% *  0.3972% (0.98   0.02   0.02) =   0.196%
          HD2   ARG+  54 - HB2   PRO   52   9.69 +/- 0.36   0.381% *  0.3911% (0.97   0.02   0.02) =   0.010%
          HB2   PHE   59 - HB2   PRO   52  11.44 +/- 0.82   0.132% *  0.2783% (0.69   0.02   0.02) =   0.002%
          HD3   PRO   93 - HG2   MET   96  13.91 +/- 0.55   0.042% *  0.1167% (0.29   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   96  13.14 +/- 0.39   0.057% *  0.0818% (0.20   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   96  16.11 +/- 0.81   0.018% *  0.1180% (0.29   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   96  16.30 +/- 0.93   0.015% *  0.1099% (0.27   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   MET   96  18.65 +/- 0.89   0.008% *  0.1149% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   PRO   52  26.00 +/- 0.86   0.001% *  0.3911% (0.97   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   MET   96  22.00 +/- 0.92   0.003% *  0.1149% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 1 structures by 0.08 A, kept.
 
    Peak 2632 (3.31, 1.84, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.488, support = 1.23, residual support = 7.83:
          QB    PHE   55 - HB3   PRO   52   3.62 +/- 0.65  81.612% * 25.7225% (0.53   0.75   1.18) =  86.470%  kept
          HB3   CYS   53 - HB3   PRO   52   5.83 +/- 0.46   4.492% * 71.4612% (0.25   4.40  51.51) =  13.222%  kept
        T HD3   PRO   93 - HB3   PRO   52   5.32 +/- 1.10  13.500% *  0.5360% (0.41   0.02   0.02) =   0.298%
          HB2   PHE   59 - HB3   PRO   52  10.10 +/- 0.80   0.164% *  1.0440% (0.80   0.02   0.02) =   0.007%
        T HD2   ARG+  54 - HB3   PRO   52   9.61 +/- 0.34   0.205% *  0.2580% (0.20   0.02   0.02) =   0.002%
          HD3   PRO   93 - QB    LYS+  81  15.60 +/- 0.36   0.011% *  0.0615% (0.05   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB3   PRO   52  24.63 +/- 0.89   0.001% *  0.5845% (0.45   0.02   0.02) =   0.000%
          HB3   CYS   53 - QB    LYS+  81  16.07 +/- 0.69   0.009% *  0.0373% (0.03   0.02   0.02) =   0.000%
          QB    PHE   55 - QB    LYS+  81  19.67 +/- 0.63   0.003% *  0.0787% (0.06   0.02   0.02) =   0.000%
          HB2   PHE   59 - QB    LYS+  81  22.00 +/- 0.33   0.001% *  0.1198% (0.09   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - QB    LYS+  81  22.32 +/- 1.13   0.001% *  0.0296% (0.02   0.02   0.02) =   0.000%
          HD3   PRO   68 - QB    LYS+  81  28.62 +/- 0.27   0.000% *  0.0671% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 1 structures by 0.04 A, kept.
 
    Peak 2633 (1.45, 2.63, 32.81 ppm):
    26 chemical-shift based assignments, quality = 0.267, support = 0.0192, residual support = 0.0192:
          QB    ALA  110 - HB2   PRO   52   3.91 +/- 0.98  96.297% *  2.7932% (0.28   0.02   0.02) =  96.205%  kept
          HG    LEU   73 - HG2   MET   96  10.18 +/- 1.02   0.833% *  2.8481% (0.28   0.02   0.02) =   0.848%
          HG    LEU   40 - HG2   MET   96   9.88 +/- 0.85   0.810% *  2.4650% (0.25   0.02   0.02) =   0.714%
          HB3   LEU  115 - HB2   PRO   52  11.44 +/- 1.14   0.206% *  8.3913% (0.84   0.02   0.02) =   0.618%
          HG2   LYS+ 102 - HG2   MET   96  11.76 +/- 0.99   0.445% *  2.9446% (0.29   0.02   0.02) =   0.469%
          QB    ALA   61 - HB2   PRO   52  12.57 +/- 0.39   0.175% *  4.8900% (0.49   0.02   0.02) =   0.307%
          HG    LEU  115 - HB2   PRO   52  11.56 +/- 0.87   0.237% *  2.7932% (0.28   0.02   0.02) =   0.237%
          HB3   LEU  115 - HG2   MET   96  12.68 +/- 1.02   0.194% *  2.4650% (0.25   0.02   0.02) =   0.171%
          QB    ALA  110 - HG2   MET   96  12.19 +/- 0.59   0.224% *  0.8205% (0.08   0.02   0.02) =   0.066%
          HB3   LEU   67 - HG2   MET   96  14.56 +/- 0.61   0.074% *  1.9091% (0.19   0.02   0.02) =   0.050%
          HG    LEU   67 - HG2   MET   96  14.94 +/- 1.07   0.064% *  2.1430% (0.21   0.02   0.02) =   0.049%
          QG    LYS+  66 - HB2   PRO   52  18.98 +/- 0.82   0.014% *  8.3913% (0.84   0.02   0.02) =   0.043%
          HG    LEU   80 - HG2   MET   96  13.67 +/- 1.20   0.122% *  0.9109% (0.09   0.02   0.02) =   0.040%
          QB    ALA   61 - HG2   MET   96  14.85 +/- 0.22   0.064% *  1.4365% (0.14   0.02   0.02) =   0.033%
          QG    LYS+  66 - HG2   MET   96  16.77 +/- 0.53   0.032% *  2.4650% (0.25   0.02   0.02) =   0.028%
          HG    LEU  115 - HG2   MET   96  14.89 +/- 0.90   0.066% *  0.8205% (0.08   0.02   0.02) =   0.019%
          HG    LEU   73 - HB2   PRO   52  21.77 +/- 0.85   0.005% *  9.6953% (0.97   0.02   0.02) =   0.019%
          QB    ALA  120 - HG2   MET   96  14.97 +/- 0.34   0.063% *  0.8205% (0.08   0.02   0.02) =   0.018%
          QB    ALA  120 - HB2   PRO   52  17.86 +/- 0.72   0.018% *  2.7932% (0.28   0.02   0.02) =   0.018%
          HG    LEU   40 - HB2   PRO   52  23.56 +/- 1.14   0.003% *  8.3913% (0.84   0.02   0.02) =   0.010%
          HG    LEU   67 - HB2   PRO   52  23.11 +/- 1.53   0.004% *  7.2951% (0.73   0.02   0.02) =   0.010%
          HB3   LEU   67 - HB2   PRO   52  23.54 +/- 0.89   0.004% *  6.4990% (0.65   0.02   0.02) =   0.008%
          HG12  ILE   19 - HG2   MET   96  16.56 +/- 0.88   0.035% *  0.6570% (0.07   0.02   0.02) =   0.008%
          HG    LEU   80 - HB2   PRO   52  21.19 +/- 1.37   0.006% *  3.1007% (0.31   0.02   0.02) =   0.007%
          HG2   LYS+ 102 - HB2   PRO   52  30.04 +/- 1.17   0.001% * 10.0239% (1.00   0.02   0.02) =   0.003%
          HG12  ILE   19 - HB2   PRO   52  24.24 +/- 0.86   0.003% *  2.2366% (0.22   0.02   0.02) =   0.003%
    Distance limit 3.20 A violated in 11 structures by 0.83 A, eliminated.
    Peak unassigned.
 
    Peak 2634 (1.34, 3.98, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.653, support = 0.0194, residual support = 0.0194:
          HB3   PRO   93 - HD2   PRO   52   7.94 +/- 1.19  84.625% *  7.1341% (0.65   0.02   0.02) =  83.070%  kept
          HG2   LYS+ 111 - HD2   PRO   52  13.39 +/- 0.84   4.245% *  9.2114% (0.84   0.02   0.02) =   5.381%  kept
          HB3   ASP-  44 - HD2   PRO   52  13.99 +/- 1.18   2.937% * 10.8097% (0.98   0.02   0.02) =   4.369%  kept
          QB    ALA   84 - HD2   PRO   52  13.36 +/- 0.85   3.912% *  7.5752% (0.69   0.02   0.02) =   4.078%  kept
          HB2   LEU   63 - HD2   PRO   52  18.07 +/- 0.87   0.666% * 11.0280% (1.00   0.02   0.02) =   1.010%
          HB3   LEU   80 - HD2   PRO   52  18.12 +/- 1.17   0.648% * 10.8097% (0.98   0.02   0.02) =   0.964%
        T QB    ALA   88 - HD2   PRO   52  14.72 +/- 0.76   2.278% *  1.9314% (0.18   0.02   0.02) =   0.605%
          HG    LEU   98 - HD2   PRO   52  23.66 +/- 1.51   0.137% *  8.8306% (0.80   0.02   0.02) =   0.167%
          QB    ALA  124 - HD2   PRO   52  24.31 +/- 0.88   0.118% *  9.8903% (0.90   0.02   0.02) =   0.160%
          HB2   LEU   31 - HD2   PRO   52  27.04 +/- 1.23   0.059% *  9.8903% (0.90   0.02   0.02) =   0.081%
        T HG3   LYS+ 106 - HD2   PRO   52  20.24 +/- 1.42   0.324% *  1.7016% (0.15   0.02   0.02) =   0.076%
          HG2   LYS+  99 - HD2   PRO   52  29.92 +/- 1.03   0.034% *  6.2436% (0.57   0.02   0.02) =   0.029%
          HG2   LYS+  38 - HD2   PRO   52  34.06 +/- 1.21   0.016% *  4.9442% (0.45   0.02   0.02) =   0.011%
    Distance limit 3.67 A violated in 20 structures by 4.09 A, eliminated.
    Peak unassigned.
 
    Peak 2635 (3.99, 3.84, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.801, support = 7.85, residual support = 206.7:
      O T HD2   PRO   52 - HD3   PRO   52   1.75 +/- 0.00  99.990% * 98.0341% (0.80   7.85 206.66) = 100.000%  kept
        T HA    SER   48 - HD3   PRO   52   8.36 +/- 0.69   0.009% *  0.3094% (0.99   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   PRO   52  16.83 +/- 0.73   0.000% *  0.3012% (0.97   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   PRO   52  19.54 +/- 0.74   0.000% *  0.2019% (0.65   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   PRO   52  17.62 +/- 0.66   0.000% *  0.0618% (0.20   0.02   0.02) =   0.000%
        T HB2   SER   82 - HD3   PRO   52  22.33 +/- 0.91   0.000% *  0.2266% (0.73   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   PRO   52  18.10 +/- 0.63   0.000% *  0.0547% (0.18   0.02   0.02) =   0.000%
          HA    LYS+  65 - HD3   PRO   52  22.58 +/- 0.52   0.000% *  0.0695% (0.22   0.02   0.02) =   0.000%
          HA    GLN   32 - HD3   PRO   52  29.87 +/- 0.86   0.000% *  0.2952% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  29 - HD3   PRO   52  28.69 +/- 0.80   0.000% *  0.1893% (0.61   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   PRO   52  25.27 +/- 0.86   0.000% *  0.0547% (0.18   0.02   0.02) =   0.000%
        T HA    VAL   70 - HD3   PRO   52  26.17 +/- 0.71   0.000% *  0.0618% (0.20   0.02   0.02) =   0.000%
          HA    LYS+  33 - HD3   PRO   52  30.59 +/- 0.81   0.000% *  0.1399% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.49 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 = 7.85, residual support = 206.7:
      O T HD3   PRO   52 - HD2   PRO   52   1.75 +/- 0.00  99.846% * 98.7223% (0.87   7.85 206.66) = 100.000%  kept
          HB2   CYS   53 - HD2   PRO   52   5.39 +/- 0.50   0.153% *  0.1089% (0.38   0.02  51.51) =   0.000%
          HA    ILE   89 - HD2   PRO   52  14.03 +/- 1.27   0.000% *  0.1301% (0.45   0.02   0.02) =   0.000%
        T HB3   SER   82 - HD2   PRO   52  22.52 +/- 1.15   0.000% *  0.2678% (0.92   0.02   0.02) =   0.000%
          HB    THR  118 - HD2   PRO   52  17.63 +/- 0.78   0.000% *  0.0448% (0.15   0.02   0.02) =   0.000%
          HA    GLN   30 - HD2   PRO   52  27.31 +/- 1.26   0.000% *  0.2323% (0.80   0.02   0.02) =   0.000%
          QB    SER   13 - HD2   PRO   52  29.16 +/- 1.30   0.000% *  0.1877% (0.65   0.02   0.02) =   0.000%
          HB    THR   39 - HD2   PRO   52  29.50 +/- 1.58   0.000% *  0.1760% (0.61   0.02   0.02) =   0.000%
          HB3   SER   37 - HD2   PRO   52  31.23 +/- 1.14   0.000% *  0.1301% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.57 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 = 4.1, residual support = 16.9:
      O   HA1   GLY   51 - HD3   PRO   52   3.16 +/- 0.50  99.694% * 95.7194% (0.76   4.10  16.88) =  99.999%  kept
          HB    THR   77 - HD3   PRO   52  10.37 +/- 0.93   0.134% *  0.5479% (0.90   0.02   0.02) =   0.001%
          HA    ALA   57 - HD3   PRO   52  10.26 +/- 0.57   0.129% *  0.2739% (0.45   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD3   PRO   52  13.17 +/- 0.75   0.028% *  0.5103% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD3   PRO   52  15.77 +/- 0.59   0.009% *  0.5640% (0.92   0.02   0.02) =   0.000%
          HA    SER   85 - HD3   PRO   52  18.77 +/- 0.73   0.003% *  0.5479% (0.90   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD3   PRO   52  24.06 +/- 0.85   0.001% *  0.5896% (0.97   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD3   PRO   52  21.85 +/- 0.88   0.001% *  0.1070% (0.18   0.02   0.02) =   0.000%
        T HA    THR   39 - HD3   PRO   52  29.70 +/- 0.70   0.000% *  0.5299% (0.87   0.02   0.02) =   0.000%
          HA    MET   11 - HD3   PRO   52  36.56 +/- 3.15   0.000% *  0.4892% (0.80   0.02   0.02) =   0.000%
          HA    ALA   12 - HD3   PRO   52  33.78 +/- 1.94   0.000% *  0.1209% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2638 (4.29, 3.98, 51.93 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 5.5, residual support = 16.9:
      O   HA1   GLY   51 - HD2   PRO   52   2.75 +/- 0.24  99.946% * 92.6152% (0.34   5.50  16.88) =  99.999%  kept
          HB    THR   77 - HD2   PRO   52  11.16 +/- 1.12   0.038% *  0.9521% (0.97   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD2   PRO   52  13.91 +/- 1.18   0.010% *  0.9778% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD2   PRO   52  16.54 +/- 0.82   0.003% *  0.5191% (0.53   0.02   0.02) =   0.000%
        T HA    SER   85 - HD2   PRO   52  19.43 +/- 0.90   0.001% *  0.9521% (0.97   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD2   PRO   52  22.54 +/- 1.13   0.000% *  0.5191% (0.53   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD2   PRO   52  24.71 +/- 1.18   0.000% *  0.8848% (0.90   0.02   0.02) =   0.000%
          HA    GLU-  14 - HD2   PRO   52  29.09 +/- 1.40   0.000% *  0.4423% (0.45   0.02   0.02) =   0.000%
        T HA    THR   39 - HD2   PRO   52  30.41 +/- 1.14   0.000% *  0.4423% (0.45   0.02   0.02) =   0.000%
          HA    LEU  104 - HD2   PRO   52  26.44 +/- 1.04   0.000% *  0.1522% (0.15   0.02   0.02) =   0.000%
          HA    MET   11 - HD2   PRO   52  37.18 +/- 3.08   0.000% *  0.9844% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HD2   PRO   52  34.37 +/- 2.15   0.000% *  0.5586% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 206.7:
      O   HG2   PRO   52 - HD3   PRO   52   2.73 +/- 0.25  98.981% * 98.9770% (0.90   6.60 206.66) =  99.999%  kept
          HG2   MET   92 - HD3   PRO   52   8.15 +/- 2.07   0.997% *  0.1256% (0.38   0.02   0.02) =   0.001%
          QG    GLU- 114 - HD3   PRO   52  13.16 +/- 0.62   0.009% *  0.1500% (0.45   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD3   PRO   52  13.52 +/- 0.43   0.008% *  0.1141% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD3   PRO   52  14.76 +/- 0.61   0.005% *  0.1760% (0.53   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD3   PRO   52  28.80 +/- 0.83   0.000% *  0.3316% (0.99   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD3   PRO   52  34.22 +/- 1.07   0.000% *  0.1256% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 206.7:
      O   HG3   PRO   52 - HD3   PRO   52   2.45 +/- 0.26  99.559% * 98.7385% (0.97   6.60 206.66) = 100.000%  kept
        T HB2   PRO   93 - HD3   PRO   52   6.37 +/- 0.91   0.433% *  0.0614% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   52  12.03 +/- 0.47   0.008% *  0.2994% (0.97   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD3   PRO   52  28.70 +/- 1.93   0.000% *  0.2863% (0.92   0.02   0.02) =   0.000%
          HB    VAL   24 - HD3   PRO   52  23.07 +/- 1.14   0.000% *  0.0773% (0.25   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD3   PRO   52  28.11 +/- 1.17   0.000% *  0.1632% (0.53   0.02   0.02) =   0.000%
          QB    GLN   32 - HD3   PRO   52  27.25 +/- 0.81   0.000% *  0.0957% (0.31   0.02   0.02) =   0.000%
          HG2   MET   11 - HD3   PRO   52  36.68 +/- 3.30   0.000% *  0.2782% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 6.7, residual support = 206.6:
      O   HB3   PRO   52 - HD3   PRO   52   3.92 +/- 0.12  96.107% * 95.8454% (0.57   6.70 206.66) =  99.988%  kept
          HG2   ARG+  54 - HD3   PRO   52   7.85 +/- 0.32   1.559% *  0.4779% (0.95   0.02   0.02) =   0.008%
          HB    ILE   56 - HD3   PRO   52   7.63 +/- 0.62   1.957% *  0.1260% (0.25   0.02   0.02) =   0.003%
          HB3   GLN   90 - HD3   PRO   52  10.63 +/- 1.39   0.333% *  0.3861% (0.76   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HD3   PRO   52  16.36 +/- 0.78   0.019% *  0.3268% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   PRO   52  17.53 +/- 0.58   0.012% *  0.3470% (0.69   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   PRO   52  21.49 +/- 0.78   0.004% *  0.4663% (0.92   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   PRO   52  24.47 +/- 0.83   0.002% *  0.4875% (0.97   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   PRO   52  25.44 +/- 0.71   0.001% *  0.4220% (0.84   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   52  24.46 +/- 0.92   0.002% *  0.2860% (0.57   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   52  23.21 +/- 0.99   0.002% *  0.1559% (0.31   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD3   PRO   52  28.45 +/- 0.62   0.001% *  0.4952% (0.98   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   52  23.59 +/- 1.02   0.002% *  0.1000% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   PRO   52  32.51 +/- 1.02   0.000% *  0.0779% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2642 (8.10, 3.84, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 6.53, residual support = 51.5:
          HN    CYS   53 - HD3   PRO   52   2.75 +/- 0.55  99.997% * 99.3481% (0.61   6.53  51.51) = 100.000%  kept
          HN    LEU   80 - HD3   PRO   52  17.36 +/- 0.68   0.002% *  0.1882% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD3   PRO   52  24.55 +/- 0.74   0.000% *  0.3244% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD3   PRO   52  27.44 +/- 0.78   0.000% *  0.1394% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 4.1, residual support = 16.9:
          HN    GLY   51 - HD3   PRO   52   2.20 +/- 0.35  99.999% * 99.5437% (0.92   4.10  16.88) = 100.000%  kept
          HN    VAL  107 - HD3   PRO   52  15.80 +/- 0.78   0.001% *  0.4563% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2644 (7.85, 3.98, 51.93 ppm):
    6 chemical-shift based assignments, quality = 0.646, support = 0.02, residual support = 0.415:
          HN    ARG+  54 - HD2   PRO   52   5.43 +/- 0.46  69.824% * 16.5352% (0.61   0.02   0.02) =  65.905%  kept
          HN    PHE   55 - HD2   PRO   52   6.29 +/- 0.19  30.048% * 19.7962% (0.73   0.02   1.18) =  33.954%  kept
          HN    ASP-  62 - HD2   PRO   52  16.81 +/- 0.71   0.081% * 25.1660% (0.92   0.02   0.02) =   0.116%
          HN    ALA   88 - HD2   PRO   52  19.00 +/- 1.06   0.040% *  6.7978% (0.25   0.02   0.02) =   0.015%
          HN    LEU   31 - HD2   PRO   52  26.07 +/- 1.25   0.006% * 26.3097% (0.97   0.02   0.02) =   0.009%
          HN    LYS+  38 - HD2   PRO   52  31.97 +/- 1.11   0.002% *  5.3951% (0.20   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 19 structures by 1.41 A, eliminated.
    Peak unassigned.
 
    Peak 2645 (8.10, 3.98, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 7.18, residual support = 51.5:
          HN    CYS   53 - HD2   PRO   52   3.38 +/- 0.56  99.994% * 99.4060% (0.61   7.18  51.51) = 100.000%  kept
          HN    LEU   80 - HD2   PRO   52  18.19 +/- 0.94   0.005% *  0.1714% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD2   PRO   52  25.41 +/- 1.10   0.001% *  0.2955% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD2   PRO   52  28.26 +/- 1.19   0.000% *  0.1270% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 1.61, residual support = 8.77:
          QB    CYS   50 - HB3   CYS   53   2.30 +/- 0.60  99.554% * 97.0638% (0.92   1.61   8.77) =  99.995%  kept
          QE    LYS+  74 - HB3   CYS   53   7.32 +/- 0.73   0.362% *  1.2326% (0.95   0.02   0.02) =   0.005%
          HB3   ASP-  78 - HB3   CYS   53   9.18 +/- 1.09   0.079% *  0.7377% (0.57   0.02   0.02) =   0.001%
          HB2   PHE   72 - HB3   CYS   53  14.65 +/- 1.08   0.005% *  0.2282% (0.18   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB3   CYS   53  25.56 +/- 0.67   0.000% *  0.7377% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2648 (2.80, 3.83, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 8.77:
        T QB    CYS   50 - HB2   CYS   53   2.33 +/- 0.47  99.769% * 96.3763% (0.92   1.50   8.77) =  99.997%  kept
          QE    LYS+  74 - HB2   CYS   53   7.94 +/- 0.68   0.197% *  1.2484% (0.90   0.02   0.02) =   0.003%
          HB3   ASP-  78 - HB2   CYS   53   9.53 +/- 1.20   0.031% *  0.2438% (0.18   0.02   0.02) =   0.000%
          HB2   PHE   72 - HB2   CYS   53  15.33 +/- 1.14   0.003% *  0.7881% (0.57   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   CYS   53  26.17 +/- 0.92   0.000% *  1.3434% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 0.922, support = 0.0195, residual support = 0.0195:
        T QG2   ILE   56 - HA    CYS   53   3.00 +/- 0.62  97.245% * 14.3765% (0.95   0.02   0.02) =  97.495%  kept
          QB    ALA   91 - HA    CYS   53   7.44 +/- 1.45   2.555% * 13.6298% (0.90   0.02   0.02) =   2.429%
          HG2   LYS+  74 - HA    CYS   53   9.27 +/- 0.55   0.185% *  5.1841% (0.34   0.02   0.02) =   0.067%
          QB    ALA   34 - HA    CYS   53  18.24 +/- 0.45   0.003% * 12.1694% (0.80   0.02   0.02) =   0.003%
          QG2   THR   23 - HA    CYS   53  17.30 +/- 0.56   0.005% *  6.8136% (0.45   0.02   0.02) =   0.002%
          QG2   THR   39 - HA    CYS   53  19.69 +/- 0.83   0.002% * 13.6298% (0.90   0.02   0.02) =   0.002%
        T HG13  ILE   19 - HA    CYS   53  18.62 +/- 0.67   0.003% *  8.6043% (0.57   0.02   0.02) =   0.002%
        T HG    LEU   71 - HA    CYS   53  20.94 +/- 1.07   0.001% *  4.6908% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    CYS   53  29.26 +/- 1.29   0.000% * 15.1978% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    CYS   53  24.35 +/- 1.19   0.001% *  5.7039% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 1 structures by 0.09 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 = 4.79, residual support = 41.7:
      O   HN    CYS   53 - HA    CYS   53   2.74 +/- 0.04  99.997% * 99.1122% (0.61   4.79  41.72) = 100.000%  kept
          HN    LEU   80 - HA    CYS   53  16.13 +/- 0.69   0.002% *  0.2563% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HA    CYS   53  22.05 +/- 0.68   0.000% *  0.4417% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    CYS   53  23.30 +/- 0.61   0.000% *  0.1898% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 4.89, residual support = 41.7:
      O   HN    CYS   53 - HB2   CYS   53   2.41 +/- 0.36  99.997% * 99.1315% (0.61   4.89  41.72) = 100.000%  kept
          HN    LEU   80 - HB2   CYS   53  15.07 +/- 0.59   0.002% *  0.2507% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HB2   CYS   53  21.40 +/- 0.40   0.000% *  0.4321% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   CYS   53  24.01 +/- 0.54   0.000% *  0.1857% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 5.2, residual support = 29.5:
          HN    ARG+  54 - HB2   CYS   53   3.05 +/- 0.27  94.922% * 98.9285% (0.97   5.20  29.47) =  99.993%  kept
          HN    PHE   55 - HB2   CYS   53   5.01 +/- 0.20   5.057% *  0.1217% (0.31   0.02   0.02) =   0.007%
          HN    ASP-  62 - HB2   CYS   53  12.93 +/- 0.91   0.020% *  0.3730% (0.95   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   CYS   53  21.97 +/- 0.52   0.001% *  0.3536% (0.90   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   CYS   53  27.94 +/- 0.58   0.000% *  0.2232% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2654 (7.87, 3.34, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.07, residual support = 29.5:
          HN    ARG+  54 - HB3   CYS   53   3.88 +/- 0.28  99.906% * 99.1255% (0.87   5.07  29.47) = 100.000%  kept
          HN    ASP-  62 - HB3   CYS   53  12.73 +/- 0.56   0.089% *  0.2372% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   CYS   53  21.01 +/- 0.66   0.004% *  0.2021% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   CYS   53  26.97 +/- 0.64   0.001% *  0.4351% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2655 (1.61, 3.34, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.61, residual support = 156.8:
      O T HG3   ARG+  54 - HD2   ARG+  54   2.77 +/- 0.24  83.345% * 99.3462% (0.87   4.62 156.80) =  99.980%  kept
          QB    ALA   57 - HD2   ARG+  54   4.18 +/- 0.86  16.653% *  0.0982% (0.20   0.02   0.02) =   0.020%
          HD3   LYS+ 111 - HD2   ARG+  54  18.60 +/- 0.80   0.001% *  0.1105% (0.22   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   ARG+  54  23.40 +/- 0.96   0.000% *  0.2225% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   ARG+  54  25.37 +/- 1.79   0.000% *  0.2225% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 3.55, residual support = 156.8:
      O T HD2   ARG+  54 - HD3   ARG+  54   1.75 +/- 0.00  99.958% * 98.2723% (0.87   3.55 156.80) = 100.000%  kept
          QB    PHE   55 - HD3   ARG+  54   7.02 +/- 0.46   0.027% *  0.3104% (0.49   0.02   2.72) =   0.000%
          HB3   CYS   53 - HD3   ARG+  54   8.10 +/- 0.80   0.013% *  0.5106% (0.80   0.02  29.47) =   0.000%
          HB2   PHE   59 - HD3   ARG+  54  11.01 +/- 0.97   0.002% *  0.1590% (0.25   0.02   0.02) =   0.000%
          HD3   PRO   93 - HD3   ARG+  54  13.20 +/- 1.08   0.001% *  0.3867% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   68 - HD3   ARG+  54  21.79 +/- 1.43   0.000% *  0.3610% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2657 (3.24, 3.34, 43.59 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.55, residual support = 156.8:
      O T HD3   ARG+  54 - HD2   ARG+  54   1.75 +/- 0.00 100.000% * 99.5131% (1.00   3.55 156.80) = 100.000%  kept
          HB3   HIS   22 - HD2   ARG+  54  20.28 +/- 1.59   0.000% *  0.4869% (0.87   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2658 (1.61, 3.25, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.74, residual support = 156.8:
      O T HG3   ARG+  54 - HD3   ARG+  54   2.71 +/- 0.29  79.132% * 99.1952% (0.87   3.74 156.80) =  99.968%  kept
          QB    ALA   57 - HD3   ARG+  54   4.05 +/- 0.97  20.867% *  0.1209% (0.20   0.02   0.02) =   0.032%
          HD3   LYS+ 111 - HD3   ARG+  54  19.22 +/- 0.85   0.001% *  0.1360% (0.22   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   ARG+  54  23.64 +/- 1.03   0.000% *  0.2739% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   ARG+  54  24.82 +/- 1.90   0.000% *  0.2739% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 156.8:
      O T HG2   ARG+  54 - HD3   ARG+  54   2.56 +/- 0.26  99.860% * 92.1327% (0.49   3.89 156.80) =  99.999%  kept
          HB    ILE   56 - HD3   ARG+  54   9.55 +/- 0.76   0.046% *  0.9638% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD3   ARG+  54   8.76 +/- 1.09   0.090% *  0.3998% (0.41   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   ARG+  54  16.98 +/- 1.04   0.001% *  0.5898% (0.61   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   ARG+  54  19.01 +/- 1.14   0.001% *  0.7061% (0.73   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   ARG+  54  19.57 +/- 1.00   0.001% *  0.8122% (0.84   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   ARG+  54  21.86 +/- 1.33   0.000% *  0.7786% (0.80   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   ARG+  54  23.23 +/- 1.52   0.000% *  0.7431% (0.76   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   ARG+  54  22.38 +/- 1.18   0.000% *  0.5116% (0.53   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   ARG+  54  24.15 +/- 1.40   0.000% *  0.6290% (0.65   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   ARG+  54  23.20 +/- 1.19   0.000% *  0.3998% (0.41   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   ARG+  54  31.81 +/- 2.23   0.000% *  0.8976% (0.92   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   ARG+  54  27.36 +/- 1.15   0.000% *  0.4360% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 4.08, residual support = 156.8:
      O   HB2   ARG+  54 - HD3   ARG+  54   3.08 +/- 0.48  99.904% * 95.6098% (0.73   4.08 156.80) = 100.000%  kept
          HB2   PRO   93 - HD3   ARG+  54  11.01 +/- 0.92   0.069% *  0.2656% (0.41   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   ARG+  54  17.44 +/- 0.91   0.004% *  0.6234% (0.97   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   ARG+  54  15.10 +/- 1.65   0.012% *  0.1796% (0.28   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   ARG+  54  19.87 +/- 0.93   0.002% *  0.5172% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HD3   ARG+  54  17.14 +/- 0.80   0.004% *  0.2203% (0.34   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   ARG+  54  21.55 +/- 1.72   0.001% *  0.4179% (0.65   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   ARG+  54  23.15 +/- 1.60   0.001% *  0.6234% (0.97   0.02   0.02) =   0.000%
          HG3   GLN   30 - HD3   ARG+  54  23.30 +/- 1.64   0.001% *  0.6234% (0.97   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   ARG+  54  20.31 +/- 1.39   0.002% *  0.1796% (0.28   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   ARG+  54  33.04 +/- 1.30   0.000% *  0.6402% (0.99   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   ARG+  54  27.93 +/- 1.61   0.000% *  0.0997% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 156.8:
      O T HG2   ARG+  54 - HG3   ARG+  54   1.75 +/- 0.00  99.988% * 96.3458% (0.92   4.97 156.80) = 100.000%  kept
          HB    ILE   56 - HG3   ARG+  54   9.19 +/- 0.45   0.005% *  0.2714% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   ARG+  54   8.81 +/- 0.33   0.006% *  0.0830% (0.20   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   ARG+  54  17.28 +/- 1.36   0.000% *  0.4196% (1.00   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   ARG+  54  19.39 +/- 0.60   0.000% *  0.4113% (0.98   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   ARG+  54  15.71 +/- 0.93   0.000% *  0.0830% (0.20   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   ARG+  54  20.66 +/- 1.05   0.000% *  0.4159% (0.99   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   ARG+  54  22.75 +/- 0.80   0.000% *  0.3969% (0.95   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   ARG+  54  24.52 +/- 0.85   0.000% *  0.4159% (0.99   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HG3   ARG+  54  24.64 +/- 1.02   0.000% *  0.3640% (0.87   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   ARG+  54  27.31 +/- 0.74   0.000% *  0.3763% (0.90   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   ARG+  54  23.33 +/- 0.92   0.000% *  0.1295% (0.31   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   ARG+  54  22.41 +/- 0.98   0.000% *  0.0830% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   ARG+  54  32.38 +/- 1.72   0.000% *  0.2042% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.58 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 = 5.17, residual support = 156.8:
      O   HB2   ARG+  54 - HG3   ARG+  54   2.71 +/- 0.04  99.990% * 91.7920% (0.31   5.17 156.80) = 100.000%  kept
          HB2   GLN   17 - HG3   ARG+  54  16.14 +/- 1.40   0.003% *  0.7908% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   ARG+  54  16.93 +/- 0.49   0.002% *  0.8799% (0.76   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   ARG+  54  18.42 +/- 0.83   0.001% *  0.6983% (0.61   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   ARG+  54  16.93 +/- 0.63   0.002% *  0.2278% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   ARG+  54  21.35 +/- 1.16   0.000% *  0.7908% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   ARG+  54  23.00 +/- 1.83   0.000% *  1.1285% (0.98   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   ARG+  54  19.42 +/- 0.87   0.001% *  0.4321% (0.38   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   ARG+  54  23.52 +/- 1.12   0.000% *  1.0325% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   ARG+  54  23.40 +/- 0.94   0.000% *  0.6983% (0.61   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   ARG+  54  19.38 +/- 0.88   0.001% *  0.1776% (0.15   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   ARG+  54  27.51 +/- 1.15   0.000% *  0.5604% (0.49   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   ARG+  54  33.48 +/- 0.74   0.000% *  0.7908% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2663 (4.11, 1.60, 27.63 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 156.8:
      O   HA    ARG+  54 - HG3   ARG+  54   3.21 +/- 0.56  99.988% * 98.2230% (1.00   4.76 156.80) = 100.000%  kept
          HA    LEU  115 - HG3   ARG+  54  16.38 +/- 0.89   0.007% *  0.2502% (0.61   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   ARG+  54  21.34 +/- 1.11   0.002% *  0.2668% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   ARG+  54  19.54 +/- 0.56   0.002% *  0.0722% (0.18   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   ARG+  54  26.45 +/- 1.00   0.000% *  0.2668% (0.65   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   ARG+  54  28.24 +/- 0.76   0.000% *  0.4043% (0.98   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   ARG+  54  27.57 +/- 0.95   0.000% *  0.1849% (0.45   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   ARG+  54  30.14 +/- 1.21   0.000% *  0.1147% (0.28   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   ARG+  54  33.87 +/- 0.94   0.000% *  0.2170% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2665 (3.26, 1.60, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 3.74, residual support = 156.8:
      O T HD3   ARG+  54 - HG3   ARG+  54   2.71 +/- 0.29  99.999% * 99.7134% (0.76   3.74 156.80) = 100.000%  kept
          HB3   HIS   22 - HG3   ARG+  54  18.94 +/- 1.28   0.001% *  0.2866% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 4.61, residual support = 156.8:
      O T HD2   ARG+  54 - HG3   ARG+  54   2.77 +/- 0.24  98.725% * 98.6644% (0.87   4.62 156.80) =  99.996%  kept
          HB3   CYS   53 - HG3   ARG+  54   6.74 +/- 0.57   0.576% *  0.3947% (0.80   0.02  29.47) =   0.002%
          QB    PHE   55 - HG3   ARG+  54   6.51 +/- 0.17   0.658% *  0.2399% (0.49   0.02   2.72) =   0.002%
          HD3   PRO   93 - HG3   ARG+  54  11.87 +/- 0.98   0.020% *  0.2990% (0.61   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   ARG+  54  11.60 +/- 0.64   0.021% *  0.1229% (0.25   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   ARG+  54  23.17 +/- 0.95   0.000% *  0.2791% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 6.42, residual support = 156.8:
          HN    ARG+  54 - HG3   ARG+  54   3.78 +/- 0.10  99.916% * 99.3082% (0.87   6.42 156.80) = 100.000%  kept
          HN    ASP-  62 - HG3   ARG+  54  12.58 +/- 0.76   0.083% *  0.1877% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   ARG+  54  25.53 +/- 0.90   0.001% *  0.1599% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   ARG+  54  30.88 +/- 1.04   0.000% *  0.3442% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2668 (1.61, 1.86, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 4.97, residual support = 156.8:
      O T HG3   ARG+  54 - HG2   ARG+  54   1.75 +/- 0.00  98.436% * 99.1270% (0.87   4.97 156.80) =  99.999%  kept
          QB    ALA   57 - HG2   ARG+  54   3.68 +/- 0.51   1.563% *  0.0909% (0.20   0.02   0.02) =   0.001%
        T HB3   LEU  123 - HG3   PRO   68  13.00 +/- 1.32   0.001% *  0.0550% (0.12   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   PRO   68  14.76 +/- 1.72   0.000% *  0.0550% (0.12   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   ARG+  54  18.38 +/- 0.62   0.000% *  0.1023% (0.22   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   PRO   68  16.43 +/- 0.35   0.000% *  0.0243% (0.05   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   ARG+  54  24.19 +/- 1.42   0.000% *  0.2060% (0.45   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG2   ARG+  54  24.28 +/- 0.59   0.000% *  0.2060% (0.45   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG3   PRO   68  24.64 +/- 1.02   0.000% *  0.1063% (0.23   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   PRO   68  27.61 +/- 0.87   0.000% *  0.0273% (0.06   0.02   0.02) =   0.000%
    Distance limit 2.57 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 = 0.143, support = 2.95, residual support = 36.8:
      O   HG2   PRO   68 - HG3   PRO   68   1.75 +/- 0.00  92.825% * 18.2547% (0.12   2.38  36.77) =  77.158%  kept
      O   HB3   PRO   68 - HG3   PRO   68   2.79 +/- 0.28   7.156% * 70.0980% (0.22   4.90  36.77) =  22.842%  kept
          QB    GLU-  15 - HG3   PRO   68   8.00 +/- 1.22   0.016% *  0.3421% (0.27   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   ARG+  54  15.20 +/- 1.18   0.000% *  1.2820% (1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   PRO   68  12.40 +/- 1.30   0.001% *  0.3421% (0.27   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   ARG+  54  16.45 +/- 0.48   0.000% *  1.2820% (1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   ARG+  54  16.43 +/- 0.59   0.000% *  0.7793% (0.61   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   PRO   68  14.41 +/- 0.55   0.000% *  0.1804% (0.14   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   ARG+  54  18.20 +/- 0.92   0.000% *  0.6760% (0.53   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   ARG+  54  20.51 +/- 0.96   0.000% *  1.2820% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   ARG+  54  22.13 +/- 1.45   0.000% *  1.0732% (0.84   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   ARG+  54  17.82 +/- 0.43   0.000% *  0.2543% (0.20   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   PRO   68  17.69 +/- 1.09   0.000% *  0.1537% (0.12   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   68  15.64 +/- 0.93   0.000% *  0.0678% (0.05   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   ARG+  54  22.33 +/- 1.15   0.000% *  0.5760% (0.45   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   ARG+  54  22.66 +/- 1.09   0.000% *  0.5760% (0.45   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   ARG+  54  26.38 +/- 1.13   0.000% *  1.1860% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   68  16.58 +/- 0.54   0.000% *  0.0678% (0.05   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   PRO   68  21.15 +/- 0.92   0.000% *  0.2079% (0.16   0.02   0.02) =   0.000%
        T HB2   GLN   30 - HG2   ARG+  54  22.18 +/- 1.07   0.000% *  0.2543% (0.20   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   68  18.99 +/- 1.47   0.000% *  0.0855% (0.07   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   PRO   68  24.72 +/- 0.80   0.000% *  0.3421% (0.27   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   PRO   68  27.44 +/- 0.68   0.000% *  0.3165% (0.25   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   ARG+  54  32.30 +/- 0.76   0.000% *  0.3204% (0.25   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 = 0.652, support = 4.65, residual support = 120.7:
      O T HD2   ARG+  54 - HG2   ARG+  54   2.89 +/- 0.16  29.438% * 83.3856% (0.87   4.59 156.80) =  69.943%  kept
      O   HD3   PRO   68 - HG3   PRO   68   2.48 +/- 0.28  69.647% * 15.1421% (0.15   4.78  36.77) =  30.049%  kept
          HB3   CYS   53 - HG2   ARG+  54   5.83 +/- 0.63   0.635% *  0.3356% (0.80   0.02  29.47) =   0.006%
          QB    PHE   55 - HG2   ARG+  54   6.40 +/- 0.05   0.255% *  0.2040% (0.49   0.02   2.72) =   0.001%
          HD3   PRO   93 - HG2   ARG+  54  11.15 +/- 1.04   0.012% *  0.2542% (0.61   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  10.74 +/- 0.42   0.012% *  0.1045% (0.25   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  22.29 +/- 0.88   0.000% *  0.2373% (0.57   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  16.81 +/- 0.26   0.001% *  0.0279% (0.07   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  23.49 +/- 0.99   0.000% *  0.0970% (0.23   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  21.74 +/- 0.26   0.000% *  0.0544% (0.13   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  24.19 +/- 0.63   0.000% *  0.0896% (0.21   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  26.79 +/- 0.40   0.000% *  0.0678% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 156.8:
      O T HD3   ARG+  54 - HG2   ARG+  54   2.56 +/- 0.26 100.000% * 99.8631% (0.31   3.89 156.80) = 100.000%  kept
        T HD3   ARG+  54 - HG3   PRO   68  23.20 +/- 1.19   0.000% *  0.1369% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2672 (4.11, 1.86, 27.63 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.74, residual support = 156.8:
      O T HA    ARG+  54 - HG2   ARG+  54   2.32 +/- 0.31  99.992% * 97.6432% (1.00   4.74 156.80) = 100.000%  kept
        T HA    LEU  115 - HG2   ARG+  54  15.66 +/- 0.50   0.001% *  0.2497% (0.61   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   PRO   68  15.77 +/- 1.72   0.002% *  0.1077% (0.26   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   PRO   68  14.40 +/- 0.55   0.002% *  0.0493% (0.12   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   ARG+  54  20.43 +/- 1.16   0.000% *  0.2663% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   ARG+  54  19.02 +/- 0.42   0.000% *  0.0721% (0.18   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG3   PRO   68  19.03 +/- 0.77   0.000% *  0.0666% (0.16   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   PRO   68  19.67 +/- 0.81   0.000% *  0.0578% (0.14   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   ARG+  54  25.22 +/- 1.06   0.000% *  0.2663% (0.65   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG3   PRO   68  22.30 +/- 0.43   0.000% *  0.1099% (0.27   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   ARG+  54  27.57 +/- 0.59   0.000% *  0.4035% (0.98   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   PRO   68  22.69 +/- 0.50   0.000% *  0.0711% (0.17   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   ARG+  54  26.36 +/- 0.99   0.000% *  0.1846% (0.45   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   PRO   68  20.33 +/- 1.08   0.000% *  0.0305% (0.07   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   ARG+  54  28.93 +/- 1.15   0.000% *  0.1145% (0.28   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   ARG+  54  32.64 +/- 1.02   0.000% *  0.2166% (0.53   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   PRO   68  22.86 +/- 0.94   0.000% *  0.0192% (0.05   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG3   PRO   68  31.63 +/- 0.40   0.000% *  0.0711% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 6.29, residual support = 156.8:
          HN    ARG+  54 - HG2   ARG+  54   3.30 +/- 0.07  99.909% * 99.0235% (0.87   6.29 156.80) = 100.000%  kept
          HN    ASP-  62 - HG2   ARG+  54  11.80 +/- 0.70   0.051% *  0.1911% (0.53   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG3   PRO   68  12.88 +/- 0.33   0.029% *  0.0510% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   PRO   68  16.18 +/- 0.94   0.008% *  0.0935% (0.26   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   ARG+  54  24.29 +/- 1.00   0.001% *  0.1628% (0.45   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   PRO   68  19.72 +/- 0.42   0.002% *  0.0435% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   ARG+  54  29.67 +/- 1.12   0.000% *  0.3505% (0.97   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   PRO   68  24.60 +/- 0.37   0.001% *  0.0841% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2674 (1.63, 1.95, 30.44 ppm):
    7 chemical-shift based assignments, quality = 0.962, support = 0.0199, residual support = 0.0199:
          QB    ALA   57 - HB3   ARG+  54   4.52 +/- 0.22  99.580% * 19.4000% (0.97   0.02   0.02) =  99.710%  kept
          HD2   LYS+  74 - HB3   ARG+  54  12.12 +/- 0.77   0.297% * 14.5972% (0.73   0.02   0.02) =   0.224%
          HD3   LYS+ 111 - HB3   ARG+  54  16.63 +/- 0.71   0.045% * 19.7041% (0.98   0.02   0.02) =   0.046%
          QD    LYS+  65 - HB3   ARG+  54  15.57 +/- 0.52   0.061% *  3.5205% (0.18   0.02   0.02) =   0.011%
          HB3   LEU  123 - HB3   ARG+  54  24.31 +/- 0.45   0.004% * 19.4000% (0.97   0.02   0.02) =   0.004%
          QD    LYS+  33 - HB3   ARG+  54  25.75 +/- 1.24   0.003% * 19.4000% (0.97   0.02   0.02) =   0.003%
          HB2   LYS+ 121 - HB3   ARG+  54  21.32 +/- 0.41   0.009% *  3.9782% (0.20   0.02   0.02) =   0.002%
    Distance limit 3.11 A violated in 20 structures by 1.41 A, eliminated.
    Peak unassigned.
 
    Peak 2675 (7.87, 1.95, 30.44 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.4, residual support = 156.8:
      O   HN    ARG+  54 - HB3   ARG+  54   2.06 +/- 0.01  99.998% * 98.9948% (0.87   4.40 156.80) = 100.000%  kept
          HN    ASP-  62 - HB3   ARG+  54  12.63 +/- 0.27   0.002% *  0.2727% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ARG+  54  25.72 +/- 0.64   0.000% *  0.2324% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ARG+  54  30.89 +/- 0.70   0.000% *  0.5002% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2676 (7.87, 2.05, 30.44 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.37, residual support = 156.8:
      O   HN    ARG+  54 - HB2   ARG+  54   3.35 +/- 0.02  99.916% * 99.0599% (0.87   6.37 156.80) = 100.000%  kept
          HN    ASP-  62 - HB2   ARG+  54  11.61 +/- 0.34   0.059% *  0.1885% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   GLU-  14  18.35 +/- 1.99   0.005% *  0.0509% (0.14   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   GLU-  14  16.34 +/- 1.78   0.010% *  0.0236% (0.07   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   GLU-  14  18.31 +/- 1.44   0.004% *  0.0277% (0.08   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ARG+  54  26.09 +/- 0.77   0.000% *  0.1606% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   MET   11  23.12 +/- 4.28   0.002% *  0.0334% (0.09   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ARG+  54  30.81 +/- 0.87   0.000% *  0.3458% (0.97   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   GLU-  14  25.12 +/- 1.99   0.001% *  0.0457% (0.13   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   MET   11  23.97 +/- 2.88   0.001% *  0.0155% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG2   MET   11  24.66 +/- 2.71   0.001% *  0.0182% (0.05   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   MET   11  32.73 +/- 3.37   0.000% *  0.0301% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2677 (7.27, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.246, support = 1.5, residual support = 25.4:
          QE    PHE   59 - HA    LEU  115   2.40 +/- 0.36  99.457% * 83.3682% (0.25   1.50  25.43) =  99.991%  kept
          HN    PHE   59 - HA    ARG+  54   7.25 +/- 0.26   0.177% *  1.8547% (0.41   0.02   0.02) =   0.004%
          QD    PHE   60 - HA    ARG+  54   8.99 +/- 0.55   0.051% *  2.5542% (0.57   0.02   0.02) =   0.002%
          HN    PHE   59 - HA    LEU  115   7.53 +/- 0.58   0.196% *  0.5707% (0.13   0.02  25.43) =   0.001%
          QD    PHE   60 - HA    LEU  115   8.40 +/- 0.66   0.098% *  0.7859% (0.17   0.02   0.02) =   0.001%
          QE    PHE   59 - HA    ARG+  54  11.68 +/- 0.25   0.012% *  3.6125% (0.80   0.02   0.02) =   0.001%
          HN    LYS+  66 - HA    ARG+  54  15.44 +/- 0.34   0.002% *  4.4221% (0.98   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LEU  115  12.97 +/- 0.52   0.006% *  1.3607% (0.30   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    ARG+  54  20.54 +/- 0.97   0.000% *  1.1249% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LEU  115  25.43 +/- 0.38   0.000% *  0.3461% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2678 (7.86, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.941, support = 6.14, residual support = 151.2:
      O   HN    ARG+  54 - HA    ARG+  54   2.75 +/- 0.03  81.100% * 85.1386% (0.97   6.25 156.80) =  96.361%  kept
      O   HN    PHE   55 - HA    ARG+  54   3.51 +/- 0.03  18.808% * 13.8613% (0.31   3.18   2.72) =   3.638%  kept
          HN    ASP-  62 - HA    ARG+  54  10.01 +/- 0.37   0.036% *  0.2671% (0.95   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LEU  115  10.10 +/- 0.54   0.036% *  0.0822% (0.29   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU  115  13.86 +/- 0.50   0.005% *  0.0838% (0.30   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    LEU  115  11.78 +/- 0.55   0.014% *  0.0268% (0.09   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ARG+  54  23.31 +/- 0.73   0.000% *  0.2532% (0.90   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LEU  115  22.46 +/- 0.63   0.000% *  0.0779% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ARG+  54  28.20 +/- 0.78   0.000% *  0.1598% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    LEU  115  23.27 +/- 0.56   0.000% *  0.0492% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2679 (7.61, 3.33, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 4.42, residual support = 16.2:
          HN    ILE   56 - QB    PHE   55   2.85 +/- 0.33  99.379% * 97.5195% (0.57   4.42  16.20) =  99.999%  kept
          HN    LYS+ 111 - QB    PHE   55   6.89 +/- 0.72   0.565% *  0.1736% (0.22   0.02   0.02) =   0.001%
          HN    LEU   63 - QB    PHE   55  11.62 +/- 0.23   0.026% *  0.5355% (0.69   0.02   0.02) =   0.000%
          QE    PHE   60 - QB    PHE   55  11.31 +/- 0.48   0.028% *  0.1944% (0.25   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QB    PHE   55  22.15 +/- 1.13   0.001% *  0.6512% (0.84   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    PHE   55  23.74 +/- 0.74   0.000% *  0.7523% (0.97   0.02   0.02) =   0.000%
          HN    ALA   84 - QB    PHE   55  19.24 +/- 0.83   0.001% *  0.1736% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2680 (7.85, 3.33, 38.95 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.1, residual support = 19.7:
      O   HN    PHE   55 - QB    PHE   55   1.98 +/- 0.06  98.874% * 97.4522% (0.73   3.10  19.74) =  99.994%  kept
          HN    ARG+  54 - QB    PHE   55   4.19 +/- 0.16   1.121% *  0.5253% (0.61   0.02   2.72) =   0.006%
          HN    ASP-  62 - QB    PHE   55  10.44 +/- 0.19   0.005% *  0.7994% (0.92   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    PHE   55  23.06 +/- 0.79   0.000% *  0.8358% (0.97   0.02   0.02) =   0.000%
          HN    ALA   88 - QB    PHE   55  20.70 +/- 0.91   0.000% *  0.2159% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    PHE   55  26.64 +/- 0.68   0.000% *  0.1714% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.87, support = 0.0197, residual support = 0.0197:
          QD    PHE   60 - QB    PHE   55   9.67 +/- 0.41  91.338% * 36.5548% (0.90   0.02   0.02) =  95.718%  kept
          HN    LYS+  66 - QB    PHE   55  15.33 +/- 0.26   5.860% * 16.7569% (0.41   0.02   0.02) =   2.815%  kept
          HN    LYS+  81 - QB    PHE   55  20.63 +/- 0.72   0.984% * 40.3993% (0.99   0.02   0.02) =   1.139%
          HE3   TRP   27 - QB    PHE   55  18.60 +/- 0.71   1.819% *  6.2891% (0.15   0.02   0.02) =   0.328%
    Distance limit 3.28 A violated in 20 structures by 6.30 A, eliminated.
    Peak unassigned.
 
    Peak 2682 (7.61, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 6.0, residual support = 114.1:
      O   HN    ILE   56 - HB    ILE   56   2.35 +/- 0.10  99.963% * 96.3247% (0.25   6.00 114.14) = 100.000%  kept
          QE    PHE   60 - HB    ILE   56   9.40 +/- 0.40   0.025% *  0.7293% (0.57   0.02   0.02) =   0.000%
          HN    LEU   63 - HB    ILE   56  10.75 +/- 0.18   0.011% *  0.4394% (0.34   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB    ILE   56  21.20 +/- 0.90   0.000% *  1.2881% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB    ILE   56  22.91 +/- 0.57   0.000% *  1.2185% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2683 (7.34, 1.88, 41.57 ppm):
    8 chemical-shift based assignments, quality = 0.59, support = 1.9, residual support = 9.79:
          QD    PHE   55 - HB    ILE   56   4.48 +/- 0.77  43.267% * 61.5462% (0.41   2.73  16.20) =  57.840%  kept
          QE    PHE   95 - HB    ILE   56   4.31 +/- 0.26  56.586% * 34.3002% (0.84   0.75   1.00) =  42.158%  kept
          HD1   TRP   49 - HB    ILE   56  13.71 +/- 1.85   0.089% *  0.8369% (0.76   0.02   0.02) =   0.002%
          HN    LEU   67 - HB    ILE   56  16.36 +/- 0.59   0.019% *  1.0854% (0.99   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB    ILE   56  16.59 +/- 1.02   0.018% *  0.6642% (0.61   0.02   0.02) =   0.000%
          HN    THR   23 - HB    ILE   56  19.98 +/- 0.61   0.006% *  0.9499% (0.87   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB    ILE   56  17.19 +/- 0.60   0.014% *  0.3735% (0.34   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB    ILE   56  26.95 +/- 1.33   0.001% *  0.2438% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2684 (0.80, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.91, residual support = 114.1:
      O T QD1   ILE   56 - HB    ILE   56   2.39 +/- 0.05  99.994% * 98.7177% (0.87   3.91 114.14) = 100.000%  kept
          QD2   LEU   73 - HB    ILE   56  13.68 +/- 1.15   0.003% *  0.3534% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB    ILE   56  16.16 +/- 0.57   0.001% *  0.5225% (0.90   0.02   0.02) =   0.000%
        T QD2   LEU  123 - HB    ILE   56  15.31 +/- 0.36   0.001% *  0.1453% (0.25   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    ILE   56  21.21 +/- 0.71   0.000% *  0.2612% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2685 (0.80, 1.72, 31.79 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.58, residual support = 114.1:
      O T QD1   ILE   56 - QG1   ILE   56   1.92 +/- 0.01  99.994% * 98.6011% (0.87   3.58 114.14) = 100.000%  kept
        T QD2   LEU   73 - QG1   ILE   56  11.45 +/- 1.04   0.003% *  0.3855% (0.61   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QG1   ILE   56  12.12 +/- 0.53   0.002% *  0.5700% (0.90   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG1   ILE   56  12.16 +/- 0.32   0.002% *  0.1585% (0.25   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   ILE   56  18.10 +/- 0.65   0.000% *  0.2849% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 3.9, residual support = 114.1:
        T QG2   ILE   56 - QD1   ILE   56   3.27 +/- 0.01  99.548% * 97.8414% (0.72   3.90 114.14) =  99.999%  kept
          QB    ALA   91 - QD1   ILE   56   9.16 +/- 0.32   0.211% *  0.2028% (0.29   0.02   0.02) =   0.000%
          QG2   THR   77 - QD1   ILE   56   9.10 +/- 0.30   0.218% *  0.1301% (0.19   0.02   0.02) =   0.000%
        T QB    ALA   34 - QD1   ILE   56  15.14 +/- 0.32   0.010% *  0.6066% (0.87   0.02   0.02) =   0.000%
          QG2   THR   23 - QD1   ILE   56  17.69 +/- 0.31   0.004% *  0.6441% (0.93   0.02   0.02) =   0.000%
          QG2   THR   39 - QD1   ILE   56  15.45 +/- 0.49   0.009% *  0.2028% (0.29   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   56  23.44 +/- 1.20   0.001% *  0.3721% (0.54   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.848, support = 2.62, residual support = 6.82:
          QB    ALA  110 - QD1   ILE   56   2.57 +/- 0.48  69.715% * 94.0830% (0.85   2.62   6.82) =  99.916%  kept
          HB3   LEU  115 - QD1   ILE   56   3.03 +/- 0.44  30.065% *  0.1781% (0.21   0.02   0.02) =   0.082%
          QB    ALA   61 - QD1   ILE   56   7.32 +/- 0.18   0.163% *  0.7984% (0.94   0.02   0.02) =   0.002%
          QG    LYS+  66 - QD1   ILE   56  10.63 +/- 0.62   0.017% *  0.6941% (0.82   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - QD1   ILE   56  11.24 +/- 1.28   0.017% *  0.2225% (0.26   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   ILE   56  14.00 +/- 0.54   0.003% *  0.7843% (0.93   0.02   0.02) =   0.000%
          HG    LEU   73 - QD1   ILE   56  14.61 +/- 0.31   0.002% *  0.5496% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   ILE   56  12.40 +/- 0.33   0.006% *  0.1995% (0.24   0.02   0.02) =   0.000%
          HG    LEU   80 - QD1   ILE   56  17.33 +/- 0.91   0.001% *  0.7386% (0.87   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   ILE   56  13.51 +/- 1.12   0.005% *  0.1235% (0.15   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   ILE   56  17.14 +/- 0.45   0.001% *  0.6683% (0.79   0.02   0.02) =   0.000%
          HG    LEU   40 - QD1   ILE   56  14.20 +/- 0.42   0.003% *  0.1781% (0.21   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   56  16.72 +/- 0.45   0.001% *  0.3290% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   56  20.25 +/- 1.15   0.000% *  0.4530% (0.54   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 1 structures by 0.03 A, kept.
 
    Peak 2688 (1.71, 0.79, 56.43 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 3.58, residual support = 114.1:
      O T QG1   ILE   56 - QD1   ILE   56   1.92 +/- 0.01  99.891% * 97.5508% (0.85   3.58 114.14) = 100.000%  kept
          HD2   LYS+ 111 - QD1   ILE   56   6.34 +/- 0.36   0.083% *  0.1877% (0.29   0.02   2.29) =   0.000%
          HB3   MET   92 - QD1   ILE   56   8.77 +/- 1.36   0.021% *  0.2500% (0.39   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   ILE   56  10.60 +/- 0.48   0.004% *  0.4648% (0.72   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   ILE   56  13.50 +/- 0.27   0.001% *  0.3443% (0.54   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   ILE   56  15.55 +/- 0.46   0.000% *  0.4870% (0.76   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   ILE   56  14.85 +/- 0.29   0.000% *  0.2283% (0.36   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   56  16.96 +/- 0.65   0.000% *  0.4870% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 3.91, residual support = 114.1:
      O T HB    ILE   56 - QD1   ILE   56   2.39 +/- 0.05  99.495% * 96.6993% (0.72   3.91 114.14) =  99.997%  kept
          HB3   PRO   58 - QD1   ILE   56   5.92 +/- 0.18   0.441% *  0.5809% (0.85   0.02   0.23) =   0.003%
          HB2   MET   92 - QD1   ILE   56   9.69 +/- 1.06   0.029% *  0.6420% (0.94   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   ILE   56   9.22 +/- 0.39   0.032% *  0.2210% (0.32   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE   56  14.36 +/- 0.55   0.002% *  0.1615% (0.24   0.02   0.02) =   0.000%
        T HB3   GLN   30 - QD1   ILE   56  18.11 +/- 0.45   0.001% *  0.6420% (0.94   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE   56  22.06 +/- 0.91   0.000% *  0.5809% (0.85   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE   56  18.52 +/- 0.31   0.000% *  0.1999% (0.29   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE   56  18.81 +/- 0.44   0.000% *  0.1282% (0.19   0.02   0.02) =   0.000%
          HG3   MET   11 - QD1   ILE   56  27.70 +/- 2.34   0.000% *  0.1442% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 1.22, residual support = 7.38:
        T HA    LYS+ 112 - QD1   ILE   56   2.57 +/- 0.33  99.782% * 97.7951% (0.79   1.22   7.38) =  99.999%  kept
          HB    THR   46 - QD1   ILE   56   7.76 +/- 0.83   0.208% *  0.5903% (0.29   0.02   0.02) =   0.001%
          HB2   HIS  122 - QD1   ILE   56  12.86 +/- 0.46   0.009% *  1.0828% (0.54   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   ILE   56  18.17 +/- 0.43   0.001% *  0.5318% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2691 (4.46, 0.79, 56.43 ppm):
    6 chemical-shift based assignments, quality = 0.93, support = 2.83, residual support = 7.24:
          HA    ALA  110 - QD1   ILE   56   2.65 +/- 0.32  95.186% * 49.8362% (0.94   2.80   6.82) =  95.576%  kept
          HA    PHE   55 - QD1   ILE   56   4.58 +/- 0.28   4.433% * 49.5201% (0.76   3.45  16.20) =   4.423%  kept
          HA    VAL  107 - QD1   ILE   56   6.96 +/- 0.38   0.339% *  0.1347% (0.36   0.02   0.02) =   0.001%
          HA    ALA   91 - QD1   ILE   56  11.08 +/- 0.43   0.021% *  0.0895% (0.24   0.02   0.02) =   0.000%
          HA    GLN   90 - QD1   ILE   56  14.24 +/- 0.80   0.004% *  0.3395% (0.89   0.02   0.02) =   0.000%
          HA    VAL   42 - QD1   ILE   56  11.60 +/- 0.42   0.016% *  0.0799% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 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  11.38 +/- 0.29 100.000% *100.0000% (0.82   0.02   0.02) = 100.000%  kept
    Distance limit 3.40 A violated in 20 structures by 7.98 A, eliminated.
    Peak unassigned.
 
    Peak 2693 (7.23, 0.79, 56.43 ppm):
    3 chemical-shift based assignments, quality = 0.29, support = 0.0199, residual support = 15.5:
          HN    PHE   59 - QD1   ILE   56   4.03 +/- 0.19  99.788% * 14.7032% (0.29   0.02  15.55) =  99.405%  kept
          HN    HIS  122 - QD1   ILE   56  11.36 +/- 0.36   0.205% * 41.3220% (0.82   0.02   0.02) =   0.575%
          HH2   TRP   87 - QD1   ILE   56  20.21 +/- 0.72   0.007% * 43.9748% (0.87   0.02   0.02) =   0.020%
    Distance limit 3.50 A violated in 17 structures by 0.54 A, eliminated.
    Peak unassigned.
 
    Peak 2694 (7.39, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.42, support = 0.02, residual support = 24.3:
          HN    ALA   57 - QD1   ILE   56   4.43 +/- 0.10  93.065% * 20.7175% (0.42   0.02  25.85) =  94.079%  kept
          HE21  GLN  116 - QD1   ILE   56   7.11 +/- 0.79   6.891% * 17.3432% (0.36   0.02   0.02) =   5.831%  kept
          HE21  GLN   90 - QD1   ILE   56  16.57 +/- 1.24   0.039% * 44.5961% (0.91   0.02   0.02) =   0.086%
          HD21  ASN   35 - QD1   ILE   56  23.00 +/- 1.05   0.005% * 17.3432% (0.36   0.02   0.02) =   0.004%
    Distance limit 3.85 A violated in 20 structures by 0.53 A, eliminated.
    Peak unassigned.
 
    Peak 2695 (7.61, 0.79, 56.43 ppm):
    5 chemical-shift based assignments, quality = 0.236, support = 4.58, residual support = 114.1:
          HN    ILE   56 - QD1   ILE   56   3.44 +/- 0.17  98.957% * 95.2421% (0.24   4.58 114.14) =  99.992%  kept
          QE    PHE   60 - QD1   ILE   56   8.43 +/- 0.41   0.498% *  0.9441% (0.54   0.02   0.02) =   0.005%
          HN    LEU   63 - QD1   ILE   56   8.31 +/- 0.28   0.539% *  0.5688% (0.32   0.02   0.02) =   0.003%
          HZ2   TRP   87 - QD1   ILE   56  18.95 +/- 0.66   0.004% *  1.6676% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   ILE   56  20.55 +/- 0.31   0.002% *  1.5775% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 1 structures by 0.03 A, kept.
 
    Peak 2696 (8.51, 0.79, 56.43 ppm):
    4 chemical-shift based assignments, quality = 0.498, support = 1.74, residual support = 7.38:
          HN    LYS+ 112 - QD1   ILE   56   3.37 +/- 0.29  99.883% * 97.4191% (0.50   1.74   7.38) =  99.999%  kept
          HN    VAL   75 - QD1   ILE   56  11.13 +/- 0.32   0.090% *  0.4746% (0.21   0.02   0.02) =   0.000%
          HN    ASP-  78 - QD1   ILE   56  13.57 +/- 0.37   0.027% *  1.3791% (0.61   0.02   0.02) =   0.000%
          HN    MET   11 - QD1   ILE   56  28.22 +/- 2.22   0.000% *  0.7272% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2697 (3.18, 1.72, 31.79 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 2.25, residual support = 15.5:
        T HB3   PHE   59 - QG1   ILE   56   3.45 +/- 0.18  90.435% * 98.6769% (0.38   2.25  15.55) =  99.858%  kept
          HB2   PHE   95 - QG1   ILE   56   5.26 +/- 0.51   9.565% *  1.3231% (0.57   0.02   1.00) =   0.142%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2698 (3.35, 1.72, 31.79 ppm):
    6 chemical-shift based assignments, quality = 0.395, support = 2.6, residual support = 15.7:
        T HB2   PHE   59 - QG1   ILE   56   3.12 +/- 0.17  91.042% * 23.6131% (0.34   2.25  15.55) =  79.701%  kept
          QB    PHE   55 - QG1   ILE   56   4.86 +/- 0.49   7.350% * 74.3835% (0.61   3.99  16.20) =  20.269%  kept
          HD3   PRO   93 - QG1   ILE   56   6.87 +/- 0.40   0.848% *  0.4468% (0.73   0.02   0.02) =   0.014%
          HB3   CYS   53 - QG1   ILE   56   7.18 +/- 0.42   0.664% *  0.5518% (0.90   0.02   0.02) =   0.014%
          HD2   ARG+  54 - QG1   ILE   56   9.97 +/- 0.62   0.090% *  0.5821% (0.95   0.02   0.02) =   0.002%
          HD3   PRO   68 - QG1   ILE   56  16.31 +/- 0.57   0.005% *  0.4227% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.11 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  11.45 +/- 0.21 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.96 A violated in 20 structures by 7.48 A, eliminated.
    Peak unassigned.
 
    Peak 2700 (7.21, 1.72, 31.79 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 1.74, residual support = 15.5:
          QD    PHE   59 - QG1   ILE   56   2.90 +/- 0.61  99.954% * 95.9861% (0.34   1.74  15.55) =  99.999%  kept
          HN    HIS  122 - QG1   ILE   56  11.76 +/- 0.21   0.041% *  1.3319% (0.41   0.02   0.02) =   0.001%
          HD1   TRP   27 - QG1   ILE   56  18.28 +/- 0.37   0.003% *  1.1051% (0.34   0.02   0.02) =   0.000%
          HH2   TRP   87 - QG1   ILE   56  19.80 +/- 0.74   0.002% *  1.5769% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 2 structures by 0.05 A, kept.
 
    Peak 2701 (7.61, 4.38, 60.23 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 5.05, residual support = 114.1:
      O   HN    ILE   56 - HA    ILE   56   2.93 +/- 0.01  99.720% * 95.6650% (0.25   5.05 114.14) =  99.998%  kept
          QE    PHE   60 - HA    ILE   56   9.06 +/- 0.33   0.117% *  0.8602% (0.57   0.02   0.02) =   0.001%
          HN    LEU   63 - HA    ILE   56   8.55 +/- 0.19   0.162% *  0.5183% (0.34   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HA    ILE   56  22.99 +/- 0.73   0.000% *  1.5193% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    ILE   56  23.87 +/- 0.38   0.000% *  1.4372% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 5.04, residual support = 24.6:
        T HD2   PRO   58 - QB    ALA   57   2.36 +/- 0.10  95.330% * 98.9247% (0.95   5.04  24.61) =  99.993%  kept
          HB2   CYS   53 - QB    ALA   57   4.57 +/- 0.87   4.669% *  0.1416% (0.34   0.02   0.02) =   0.007%
        T HA    VAL   83 - QB    ALA   57  18.06 +/- 0.41   0.000% *  0.4069% (0.98   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    ALA   57  22.24 +/- 0.31   0.000% *  0.4114% (0.99   0.02   0.02) =   0.000%
          HA    LYS+  38 - QB    ALA   57  21.56 +/- 0.49   0.000% *  0.1154% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2703 (7.44, 1.64, 57.72 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 4.58, residual support = 23.2:
      O   HN    ALA   57 - QB    ALA   57   2.12 +/- 0.04  99.985% * 93.7099% (0.18   4.58  23.20) = 100.000%  kept
          HE21  GLN   17 - QB    ALA   57  11.67 +/- 1.71   0.006% *  1.6971% (0.73   0.02   0.02) =   0.000%
          HE21  GLN  116 - QB    ALA   57  10.89 +/- 0.94   0.006% *  0.5203% (0.22   0.02   0.02) =   0.000%
          HN    ALA  120 - QB    ALA   57  13.79 +/- 0.24   0.001% *  1.3232% (0.57   0.02   0.02) =   0.000%
          HN    ALA  124 - QB    ALA   57  17.65 +/- 0.29   0.000% *  1.9522% (0.84   0.02   0.02) =   0.000%
          HN    LEU  123 - QB    ALA   57  15.89 +/- 0.26   0.001% *  0.7972% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2704 (7.42, 4.26, 57.40 ppm):
    5 chemical-shift based assignments, quality = 0.566, support = 4.21, residual support = 23.2:
      O   HN    ALA   57 - HA    ALA   57   2.88 +/- 0.01  99.959% * 98.1354% (0.57   4.21  23.20) = 100.000%  kept
          HE21  GLN  116 - HA    ALA   57  12.06 +/- 1.07   0.022% *  0.5325% (0.65   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   57  14.82 +/- 0.26   0.005% *  0.7943% (0.97   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   57  13.79 +/- 1.82   0.013% *  0.2289% (0.28   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   57  19.38 +/- 0.32   0.001% *  0.3089% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2705 (1.65, 4.26, 57.40 ppm):
    12 chemical-shift based assignments, quality = 0.526, support = 2.81, residual support = 23.2:
      O T QB    ALA   57 - HA    ALA   57   2.14 +/- 0.01  99.792% * 92.7211% (0.53   2.81  23.20) =  99.998%  kept
          HD2   LYS+  74 - HA    ALA   57   6.37 +/- 0.53   0.169% *  1.0481% (0.84   0.02   0.02) =   0.002%
          HG3   PRO   93 - HA    ALA   57   8.48 +/- 0.68   0.030% *  0.2198% (0.18   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    ALA   57  10.98 +/- 0.28   0.006% *  1.1253% (0.90   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    ALA   57  15.59 +/- 0.30   0.001% *  1.1583% (0.92   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    ALA   57  15.67 +/- 0.34   0.001% *  0.6108% (0.49   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    ALA   57  18.03 +/- 0.54   0.000% *  1.0481% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    ALA   57  18.74 +/- 0.47   0.000% *  0.3129% (0.25   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    ALA   57  17.81 +/- 0.44   0.000% *  0.1936% (0.15   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    ALA   57  24.21 +/- 1.76   0.000% *  0.8619% (0.69   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    ALA   57  19.82 +/- 1.36   0.000% *  0.3129% (0.25   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    ALA   57  22.58 +/- 0.92   0.000% *  0.3873% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 0.168, support = 0.0186, residual support = 0.0186:
          HN    CYS   53 - HB2   PRO   58  11.09 +/- 0.32  96.908% *  5.7685% (0.15   0.02   0.02) =  90.338%  kept
          HN    GLN   32 - HB2   PRO   58  27.00 +/- 0.43   0.472% * 37.3861% (1.00   0.02   0.02) =   2.852%  kept
          HN    LEU   80 - HB2   PRO   58  22.84 +/- 0.53   1.310% * 11.5391% (0.31   0.02   0.02) =   2.444%
          HN    SER   85 - HB2   PRO   58  27.00 +/- 0.39   0.473% * 29.9364% (0.80   0.02   0.02) =   2.287%
          HN    ALA   34 - HB2   PRO   58  24.54 +/- 0.34   0.837% * 15.3699% (0.41   0.02   0.02) =   2.079%
    Distance limit 4.02 A violated in 20 structures by 7.06 A, eliminated.
    Peak unassigned.
 
    Peak 2707 (7.26, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.27, residual support = 37.7:
      O   HN    PHE   59 - HB3   PRO   58   3.16 +/- 0.08  99.239% * 98.9623% (0.61   6.27  37.72) =  99.998%  kept
          QE    PHE   59 - HB3   PRO   58   8.03 +/- 0.17   0.372% *  0.4311% (0.83   0.02  37.72) =   0.002%
          QD    PHE   60 - HB3   PRO   58   8.43 +/- 0.09   0.277% *  0.1209% (0.23   0.02   0.02) =   0.000%
          HN    LYS+  66 - HB3   PRO   58  10.09 +/- 0.19   0.095% *  0.3324% (0.64   0.02   0.02) =   0.000%
          HN    HIS  122 - HB3   PRO   58  13.62 +/- 0.41   0.016% *  0.0861% (0.17   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PRO   58  29.32 +/- 0.57   0.000% *  0.0671% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2708 (3.81, 1.98, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.39, residual support = 135.4:
      O   HD2   PRO   58 - HG3   PRO   58   2.36 +/- 0.18  99.974% * 98.9949% (0.95   5.39 135.45) = 100.000%  kept
          HB2   CYS   53 - HG3   PRO   58   9.52 +/- 0.67   0.026% *  0.1323% (0.34   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   58  25.81 +/- 0.48   0.000% *  0.3803% (0.98   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   58  28.09 +/- 0.44   0.000% *  0.3846% (0.99   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   58  27.66 +/- 0.67   0.000% *  0.1079% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2709 (4.42, 1.98, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 4.5, residual support = 135.4:
      O   HA    PRO   58 - HG3   PRO   58   3.89 +/- 0.03  99.837% * 96.9581% (0.76   4.50 135.45) =  99.999%  kept
          HA    THR   46 - HG3   PRO   58  12.45 +/- 0.49   0.096% *  0.5442% (0.97   0.02   0.02) =   0.001%
          HA    GLN   17 - HG3   PRO   58  14.51 +/- 0.77   0.040% *  0.5205% (0.92   0.02   0.02) =   0.000%
          HA    VAL   42 - HG3   PRO   58  16.53 +/- 0.45   0.017% *  0.2116% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   58  20.39 +/- 0.74   0.005% *  0.4515% (0.80   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   58  21.94 +/- 0.46   0.003% *  0.3420% (0.61   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   58  26.25 +/- 1.44   0.001% *  0.4515% (0.80   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   58  29.48 +/- 0.58   0.001% *  0.5205% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.15 A, kept.
 
    Peak 2710 (7.42, 3.81, 50.93 ppm):
    5 chemical-shift based assignments, quality = 0.536, support = 5.58, residual support = 24.6:
          HN    ALA   57 - HD2   PRO   58   1.65 +/- 0.09  99.997% * 98.5862% (0.54   5.58  24.61) = 100.000%  kept
          HE21  GLN  116 - HD2   PRO   58  10.31 +/- 1.14   0.002% *  0.4037% (0.61   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   58  14.36 +/- 0.30   0.000% *  0.6023% (0.91   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   58  16.07 +/- 2.04   0.000% *  0.1735% (0.26   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   58  19.26 +/- 0.35   0.000% *  0.2342% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2711 (4.42, 3.72, 50.93 ppm):
    16 chemical-shift based assignments, quality = 0.723, support = 6.52, residual support = 135.4:
      O   HA    PRO   58 - HD3   PRO   58   3.98 +/- 0.00  97.949% * 97.7769% (0.72   6.52 135.45) =  99.998%  kept
          HA    THR   46 - HD3   PRO   58  10.06 +/- 0.46   0.391% *  0.3786% (0.91   0.02   0.02) =   0.002%
          HA    GLN   17 - HD3   PRO   58  13.54 +/- 0.71   0.067% *  0.3621% (0.87   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   68   9.30 +/- 0.91   0.729% *  0.0160% (0.04   0.02   0.02) =   0.000%
          HA    VAL   42 - HD3   PRO   58  14.14 +/- 0.29   0.049% *  0.1472% (0.36   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   68  10.51 +/- 0.66   0.311% *  0.0139% (0.03   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   68  11.78 +/- 1.43   0.253% *  0.0105% (0.03   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD3   PRO   58  19.32 +/- 0.61   0.008% *  0.3141% (0.76   0.02   0.02) =   0.000%
          HA    LEU   40 - HD3   PRO   58  19.86 +/- 0.32   0.006% *  0.2379% (0.57   0.02   0.02) =   0.000%
          HA    VAL   42 - HD2   PRO   68  12.51 +/- 0.96   0.121% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HA    PRO   58 - HD2   PRO   68  14.40 +/- 0.87   0.047% *  0.0133% (0.03   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   68  15.44 +/- 1.32   0.035% *  0.0139% (0.03   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   68  15.87 +/- 1.25   0.029% *  0.0160% (0.04   0.02   0.02) =   0.000%
          HA    SER   13 - HD3   PRO   58  25.56 +/- 1.21   0.001% *  0.3141% (0.76   0.02   0.02) =   0.000%
          HA    SER   37 - HD3   PRO   58  27.55 +/- 0.43   0.001% *  0.3621% (0.87   0.02   0.02) =   0.000%
          HA    THR   46 - HD2   PRO   68  21.77 +/- 0.60   0.004% *  0.0168% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.18 A, kept.
 
    Peak 2712 (7.42, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.536, support = 3.88, residual support = 24.6:
          HN    ALA   57 - HD3   PRO   58   2.03 +/- 0.05  99.976% * 97.8708% (0.54   3.88  24.61) = 100.000%  kept
          HE21  GLN  116 - HD3   PRO   58   9.09 +/- 1.10   0.016% *  0.5762% (0.61   0.02   0.02) =   0.000%
          HN    ALA  120 - HD3   PRO   58  12.82 +/- 0.27   0.002% *  0.8595% (0.91   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD3   PRO   58  16.40 +/- 1.89   0.000% *  0.2476% (0.26   0.02   0.02) =   0.000%
          HN    ALA  124 - HD3   PRO   58  17.81 +/- 0.32   0.000% *  0.3343% (0.36   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   68  13.89 +/- 0.52   0.001% *  0.0381% (0.04   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   68  12.80 +/- 1.62   0.002% *  0.0110% (0.01   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   68  13.23 +/- 0.57   0.001% *  0.0148% (0.02   0.02   0.02) =   0.000%
          HE21  GLN  116 - HD2   PRO   68  15.84 +/- 0.93   0.000% *  0.0255% (0.03   0.02   0.02) =   0.000%
          HN    ALA   57 - HD2   PRO   68  18.13 +/- 0.66   0.000% *  0.0223% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2713 (1.64, 3.72, 50.93 ppm):
    18 chemical-shift based assignments, quality = 0.873, support = 3.3, residual support = 24.6:
          QB    ALA   57 - HD3   PRO   58   3.46 +/- 0.07  98.517% * 96.7335% (0.87   3.30  24.61) =  99.998%  kept
          HD2   LYS+  74 - HD3   PRO   58   9.84 +/- 0.51   0.201% *  0.6298% (0.94   0.02   0.02) =   0.001%
          QD    LYS+  65 - HD3   PRO   58  11.67 +/- 0.34   0.070% *  0.3093% (0.46   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD3   PRO   58  13.57 +/- 0.34   0.028% *  0.5698% (0.85   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD2   PRO   68   8.00 +/- 1.39   0.959% *  0.0137% (0.02   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD3   PRO   58  14.44 +/- 0.40   0.019% *  0.3343% (0.50   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   PRO   58  17.22 +/- 0.45   0.007% *  0.4110% (0.61   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   68  11.53 +/- 0.55   0.077% *  0.0182% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   PRO   58  22.41 +/- 1.39   0.001% *  0.4110% (0.61   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   PRO   58  20.88 +/- 0.55   0.002% *  0.2612% (0.39   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   PRO   68  14.83 +/- 0.57   0.016% *  0.0260% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   68  14.77 +/- 1.85   0.023% *  0.0182% (0.03   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   68  13.87 +/- 0.79   0.026% *  0.0148% (0.02   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   PRO   68  16.19 +/- 2.24   0.043% *  0.0078% (0.01   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   PRO   68  16.17 +/- 1.11   0.011% *  0.0279% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   PRO   58  25.69 +/- 1.72   0.001% *  0.1767% (0.26   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   68  25.23 +/- 0.72   0.001% *  0.0252% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   PRO   68  26.13 +/- 0.69   0.001% *  0.0116% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 4 structures by 0.25 A, kept.
 
    Peak 2714 (1.64, 3.81, 50.93 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 5.04, residual support = 24.6:
        T QB    ALA   57 - HD2   PRO   58   2.36 +/- 0.10  99.971% * 97.9432% (0.87   5.04  24.61) = 100.000%  kept
        T HD2   LYS+  74 - HD2   PRO   58  10.08 +/- 0.54   0.018% *  0.4174% (0.94   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD2   PRO   58  11.54 +/- 0.37   0.008% *  0.2050% (0.46   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   58  14.87 +/- 0.38   0.002% *  0.3777% (0.85   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   58  16.12 +/- 0.38   0.001% *  0.2216% (0.50   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   58  18.51 +/- 0.50   0.000% *  0.2724% (0.61   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   58  22.90 +/- 1.40   0.000% *  0.2724% (0.61   0.02   0.02) =   0.000%
        T HB    VAL   83 - HD2   PRO   58  21.36 +/- 0.57   0.000% *  0.1731% (0.39   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   PRO   58  26.77 +/- 1.78   0.000% *  0.1171% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2715 (3.81, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 7.73, residual support = 135.4:
      O T HD2   PRO   58 - HD3   PRO   58   1.75 +/- 0.00  99.987% * 99.2544% (0.89   7.73 135.45) = 100.000%  kept
          HB2   CYS   53 - HD3   PRO   58   8.03 +/- 0.63   0.012% *  0.0926% (0.32   0.02   0.02) =   0.000%
          HA    VAL   83 - HD3   PRO   58  23.16 +/- 0.48   0.000% *  0.2660% (0.93   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD3   PRO   58  25.89 +/- 0.34   0.000% *  0.2690% (0.94   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD2   PRO   68  17.21 +/- 1.45   0.000% *  0.0119% (0.04   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   PRO   68  17.74 +/- 0.74   0.000% *  0.0114% (0.04   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD2   PRO   68  15.87 +/- 1.59   0.000% *  0.0033% (0.01   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   58  25.53 +/- 0.54   0.000% *  0.0755% (0.26   0.02   0.02) =   0.000%
          HB2   CYS   53 - HD2   PRO   68  22.61 +/- 1.13   0.000% *  0.0041% (0.01   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   PRO   68  28.39 +/- 0.74   0.000% *  0.0118% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2716 (3.72, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 7.73, residual support = 135.4:
      O T HD3   PRO   58 - HD2   PRO   58   1.75 +/- 0.00  99.990% * 99.5819% (0.95   7.73 135.45) = 100.000%  kept
          HA    ALA   61 - HD2   PRO   58   8.19 +/- 0.17   0.010% *  0.1155% (0.42   0.02   1.15) =   0.000%
          HA    VAL   75 - HD2   PRO   58  15.37 +/- 0.39   0.000% *  0.2310% (0.85   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD2   PRO   58  17.74 +/- 0.74   0.000% *  0.0716% (0.26   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 = 6.62, residual support = 37.7:
          HN    PHE   59 - HD2   PRO   58   3.69 +/- 0.02  99.534% * 99.0651% (0.69   6.62  37.72) =  99.999%  kept
          QE    PHE   59 - HD2   PRO   58   9.09 +/- 0.09   0.450% *  0.1407% (0.32   0.02  37.72) =   0.001%
          HN    HIS  122 - HD2   PRO   58  16.07 +/- 0.29   0.015% *  0.4042% (0.93   0.02   0.02) =   0.000%
          HH2   TRP   87 - HD2   PRO   58  27.05 +/- 0.62   0.001% *  0.3901% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 2.25, residual support = 15.5:
        T QG1   ILE   56 - HB3   PHE   59   3.45 +/- 0.18  99.992% * 97.3245% (0.53   2.25  15.55) = 100.000%  kept
          HB3   LYS+  99 - HB3   PHE   59  18.10 +/- 0.76   0.005% *  1.0637% (0.65   0.02   0.02) =   0.000%
          HB    ILE   89 - HB3   PHE   59  19.61 +/- 0.26   0.003% *  1.6117% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2719 (2.43, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.554, support = 0.503, residual support = 4.24:
          HB3   ASP-  62 - HB3   PHE   59   5.74 +/- 0.20   8.903% * 68.2208% (0.45   0.75   6.44) =  64.845%  kept
          QE    LYS+ 112 - HB3   PHE   59   3.88 +/- 0.27  88.755% *  3.2492% (0.80   0.02   0.02) =  30.789%  kept
          HB    VAL  107 - HB3   PHE   59   7.29 +/- 0.37   2.280% * 17.8449% (0.38   0.23   1.21) =   4.344%  kept
          HB3   PHE   45 - HB3   PHE   59  13.24 +/- 0.36   0.060% *  3.2492% (0.80   0.02   0.02) =   0.021%
          HB3   ASP-  86 - HB3   PHE   59  25.22 +/- 0.79   0.001% *  3.5198% (0.87   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB3   PHE   59  27.45 +/- 0.70   0.001% *  3.9160% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2720 (1.75, 3.32, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 2.25, residual support = 15.5:
        T QG1   ILE   56 - HB2   PHE   59   3.12 +/- 0.17  99.953% * 91.7792% (0.18   2.25  15.55) =  99.999%  kept
          HB    VAL   43 - HB2   PHE   59  11.84 +/- 0.31   0.036% *  1.5890% (0.34   0.02   0.02) =   0.001%
          HB    ILE   89 - HB2   PHE   59  18.31 +/- 0.25   0.003% *  3.0135% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB2   PHE   59  17.35 +/- 0.92   0.004% *  1.1616% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   PHE   59  17.38 +/- 0.74   0.004% *  1.1616% (0.25   0.02   0.02) =   0.000%
          QD    LYS+  81 - HB2   PHE   59  22.11 +/- 0.76   0.001% *  1.2952% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2721 (7.23, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 4.98, residual support = 55.2:
      O   HN    PHE   59 - HB3   PHE   59   2.31 +/- 0.15  99.989% * 97.7226% (0.31   4.98  55.16) = 100.000%  kept
          HN    HIS  122 - HB3   PHE   59  10.76 +/- 0.32   0.011% *  1.1033% (0.87   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PHE   59  25.39 +/- 0.73   0.000% *  1.1741% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2723 (7.25, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.37, residual support = 55.2:
      O   HN    PHE   59 - HB2   PHE   59   2.41 +/- 0.15  97.558% * 98.9848% (1.00   4.37  55.16) =  99.991%  kept
          QE    PHE   59 - HB2   PHE   59   4.50 +/- 0.02   2.408% *  0.3626% (0.80   0.02  55.16) =   0.009%
          HN    LYS+  66 - HB2   PHE   59   9.87 +/- 0.25   0.023% *  0.1398% (0.31   0.02   0.02) =   0.000%
          HN    HIS  122 - HB2   PHE   59  11.06 +/- 0.31   0.012% *  0.2746% (0.61   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   PHE   59  24.16 +/- 0.63   0.000% *  0.2382% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 6.44:
          HB2   ASP-  62 - HA    PHE   59   3.37 +/- 0.21  99.883% * 99.1175% (0.99   1.50   6.44) = 100.000%  kept
        T QB    ASP- 113 - HA    PHE   59  10.95 +/- 0.35   0.091% *  0.2335% (0.18   0.02   0.02) =   0.000%
          HB2   PRO   52 - HA    PHE   59  13.53 +/- 0.64   0.026% *  0.6490% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2725 (2.48, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.96, residual support = 6.44:
          HB3   ASP-  62 - HA    PHE   59   3.31 +/- 0.23  99.324% * 93.1322% (0.18   2.96   6.44) =  99.991%  kept
          HG3   GLN  116 - HA    PHE   59   7.90 +/- 0.66   0.663% *  1.2269% (0.34   0.02   0.02) =   0.009%
          HG3   MET   96 - HA    PHE   59  15.13 +/- 0.31   0.012% *  1.8923% (0.53   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    PHE   59  26.53 +/- 1.70   0.000% *  2.7487% (0.76   0.02   0.02) =   0.000%
        T HB3   TRP   87 - HA    PHE   59  23.41 +/- 0.31   0.001% *  1.0000% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2726 (7.25, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.87, residual support = 55.2:
      O   HN    PHE   59 - HA    PHE   59   2.73 +/- 0.01  95.251% * 99.0881% (1.00   4.87  55.16) =  99.984%  kept
          QE    PHE   59 - HA    PHE   59   4.57 +/- 0.25   4.558% *  0.3257% (0.80   0.02  55.16) =   0.016%
          HN    LYS+  66 - HA    PHE   59   8.03 +/- 0.23   0.149% *  0.1255% (0.31   0.02   0.02) =   0.000%
          HN    HIS  122 - HA    PHE   59   9.92 +/- 0.34   0.042% *  0.2467% (0.61   0.02   0.02) =   0.000%
          HH2   TRP   87 - HA    PHE   59  26.86 +/- 0.58   0.000% *  0.2140% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 4.0, residual support = 16.7:
          HN    PHE   60 - HB3   PHE   59   3.69 +/- 0.12  92.085% * 98.7544% (0.61   4.00  16.69) =  99.985%  kept
          HN    GLN  116 - HB3   PHE   59   5.91 +/- 0.47   6.516% *  0.1425% (0.18   0.02   0.02) =   0.010%
          HN    THR  118 - HB3   PHE   59   7.50 +/- 0.30   1.396% *  0.3054% (0.38   0.02   5.66) =   0.005%
          HN    GLU-  15 - HB3   PHE   59  20.39 +/- 0.73   0.003% *  0.7977% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2729 (7.28, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 3.93, residual support = 69.8:
          QD    PHE   60 - HA    PHE   60   2.35 +/- 0.48  96.175% * 99.1020% (1.00   3.93  69.81) =  99.994%  kept
          QE    PHE   59 - HA    PHE   60   4.75 +/- 0.69   3.572% *  0.1261% (0.25   0.02  16.69) =   0.005%
          HN    LYS+  66 - HA    PHE   60   6.81 +/- 0.14   0.253% *  0.3671% (0.73   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    PHE   60  21.61 +/- 0.34   0.000% *  0.4048% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2730 (8.20, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.63, residual support = 69.8:
      O   HN    PHE   60 - HA    PHE   60   2.80 +/- 0.02  99.916% * 98.9224% (0.61   4.63  69.81) = 100.000%  kept
          HN    THR  118 - HA    PHE   60  10.20 +/- 0.18   0.043% *  0.2642% (0.38   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    PHE   60  10.52 +/- 0.35   0.037% *  0.1233% (0.18   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    PHE   60  15.43 +/- 0.62   0.004% *  0.6901% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2731 (7.73, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 5.03, residual support = 41.6:
      O   HN    ALA   61 - HA    PHE   60   3.63 +/- 0.01  99.970% * 98.3610% (0.84   5.03  41.57) = 100.000%  kept
          HN    ALA   91 - HA    PHE   60  18.01 +/- 0.34   0.007% *  0.4196% (0.90   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    PHE   60  18.49 +/- 0.33   0.006% *  0.4637% (0.99   0.02   0.02) =   0.000%
          HN    THR   39 - HA    PHE   60  17.15 +/- 0.67   0.009% *  0.2277% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    PHE   60  19.78 +/- 0.22   0.004% *  0.2097% (0.45   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    PHE   60  23.59 +/- 0.28   0.001% *  0.2461% (0.53   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    PHE   60  20.36 +/- 0.40   0.003% *  0.0722% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.153, support = 0.745, residual support = 0.739:
          HA    ALA   57 - HB2   PHE   60   3.67 +/- 0.17  95.876% * 42.7977% (0.15   0.75   0.74) =  99.269%  kept
          HA    ASP-  44 - HB2   PHE   60   6.36 +/- 0.53   4.027% *  7.3803% (1.00   0.02   2.92) =   0.719%
          HB    THR   77 - HB2   PHE   60  14.57 +/- 0.47   0.025% *  7.2502% (0.98   0.02   0.02) =   0.004%
          HA    ILE  103 - HB2   PHE   60  15.91 +/- 0.61   0.015% *  6.8280% (0.92   0.02   0.02) =   0.003%
          HA1   GLY   51 - HB2   PHE   60  14.67 +/- 0.41   0.025% *  2.7761% (0.38   0.02   0.02) =   0.002%
          HA    GLU-  79 - HB2   PHE   60  17.38 +/- 0.38   0.009% *  4.1877% (0.57   0.02   0.02) =   0.001%
          HA    GLU-  14 - HB2   PHE   60  17.61 +/- 1.04   0.009% *  3.0409% (0.41   0.02   0.02) =   0.001%
          HA    THR   39 - HB2   PHE   60  17.85 +/- 0.26   0.008% *  3.6004% (0.49   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   PHE   60  22.76 +/- 0.35   0.002% *  7.2502% (0.98   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   PHE   60  25.64 +/- 2.43   0.001% *  7.3967% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   PHE   60  22.91 +/- 1.28   0.002% *  3.8916% (0.53   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   PHE   60  23.91 +/- 0.41   0.001% *  3.6004% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2733 (7.30, 3.40, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.76, residual support = 69.8:
      O   QD    PHE   60 - HB2   PHE   60   2.51 +/- 0.13  99.911% * 98.8201% (0.76   3.76  69.81) = 100.000%  kept
          HN    LYS+  66 - HB2   PHE   60   8.94 +/- 0.31   0.051% *  0.1911% (0.28   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   PHE   60   9.91 +/- 0.64   0.032% *  0.1360% (0.20   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   PHE   60  13.03 +/- 0.33   0.005% *  0.1714% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB2   PHE   60  19.71 +/- 0.36   0.000% *  0.6813% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2734 (7.74, 3.40, 40.02 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 4.87, residual support = 41.6:
          HN    ALA   61 - HB2   PHE   60   2.91 +/- 0.42  99.985% * 95.7147% (0.38   4.87  41.57) = 100.000%  kept
          HN    ALA   91 - HB2   PHE   60  16.08 +/- 0.40   0.005% *  0.4697% (0.45   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   PHE   60  17.59 +/- 0.38   0.003% *  0.8389% (0.80   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   PHE   60  18.51 +/- 0.42   0.002% *  0.9395% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   PHE   60  18.81 +/- 0.64   0.002% *  0.9671% (0.92   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   PHE   60  19.31 +/- 0.69   0.002% *  0.3574% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   PHE   60  21.35 +/- 0.36   0.001% *  0.5512% (0.53   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   PHE   60  22.61 +/- 0.52   0.001% *  0.1616% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2735 (8.20, 3.40, 40.02 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.5, residual support = 69.8:
      O   HN    PHE   60 - HB2   PHE   60   2.27 +/- 0.39  99.985% * 98.8899% (0.61   4.50  69.81) = 100.000%  kept
          HN    THR  118 - HB2   PHE   60  11.77 +/- 0.57   0.006% *  0.2722% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB2   PHE   60  15.80 +/- 0.91   0.002% *  0.7109% (0.98   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   PHE   60  11.40 +/- 0.69   0.007% *  0.1270% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2736 (0.58, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.43, residual support = 12.1:
        T QD1   LEU   63 - HA    PHE   60   2.59 +/- 0.36  93.276% * 97.7533% (1.00   3.43  12.09) =  99.975%  kept
          QD2   LEU   63 - HA    PHE   60   4.49 +/- 0.30   5.978% *  0.3226% (0.57   0.02  12.09) =   0.021%
          QD2   LEU  115 - HA    PHE   60   6.08 +/- 0.54   0.701% *  0.4759% (0.84   0.02   0.02) =   0.004%
        T QD1   LEU   73 - HA    PHE   60  10.59 +/- 0.28   0.023% *  0.5697% (1.00   0.02   0.76) =   0.000%
        T QD1   LEU  104 - HA    PHE   60  11.34 +/- 0.34   0.016% *  0.3226% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    PHE   60  14.86 +/- 0.29   0.003% *  0.4562% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    PHE   60  15.93 +/- 0.49   0.002% *  0.0998% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 1 structures by 0.02 A, kept.
 
    Peak 2737 (1.35, 3.92, 62.21 ppm):
    15 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 12.1:
        T HB2   LEU   63 - HA    PHE   60   2.11 +/- 0.22  99.141% * 89.3097% (0.92   1.50  12.09) =  99.988%  kept
          HB3   ASP-  44 - HA    PHE   60   4.88 +/- 0.16   0.831% *  1.2644% (0.98   0.02   2.92) =   0.012%
          HB3   PRO   93 - HA    PHE   60  10.07 +/- 0.62   0.011% *  1.1190% (0.87   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    PHE   60  12.89 +/- 1.14   0.003% *  1.2449% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    PHE   60  13.98 +/- 0.31   0.001% *  1.2871% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   60  12.41 +/- 0.69   0.003% *  0.3981% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   60  11.19 +/- 0.17   0.005% *  0.1990% (0.15   0.02   0.76) =   0.000%
          HG2   LYS+ 111 - HA    PHE   60  14.75 +/- 0.29   0.001% *  0.7824% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    PHE   60  12.95 +/- 0.44   0.002% *  0.2872% (0.22   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    PHE   60  16.82 +/- 0.20   0.000% *  1.1569% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    PHE   60  17.48 +/- 0.31   0.000% *  1.0775% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    PHE   60  16.09 +/- 0.40   0.001% *  0.4400% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    PHE   60  18.41 +/- 0.49   0.000% *  0.8861% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    PHE   60  21.01 +/- 1.27   0.000% *  0.3217% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   60  20.69 +/- 0.61   0.000% *  0.2259% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 0.334, support = 0.0196, residual support = 0.0196:
        T QG2   VAL   18 - HA    ALA   61   3.56 +/- 0.46  98.599% *  7.8238% (0.34   0.02   0.02) =  97.876%  kept
          QD2   LEU   73 - HA    ALA   61   9.55 +/- 0.28   0.313% * 19.8957% (0.87   0.02   0.02) =   0.790%
          QD1   ILE   56 - HA    ALA   61   9.63 +/- 0.21   0.329% * 13.9117% (0.61   0.02   0.02) =   0.580%
          QG2   THR   46 - HA    ALA   61   8.78 +/- 0.46   0.574% *  5.7193% (0.25   0.02   0.02) =   0.416%
          QG1   VAL   43 - HA    ALA   61  11.04 +/- 0.31   0.139% * 12.9856% (0.57   0.02   0.02) =   0.228%
        T QG1   VAL   41 - HA    ALA   61  13.52 +/- 0.23   0.042% * 17.5287% (0.76   0.02   0.02) =   0.093%
          HG    LEU   31 - HA    ALA   61  18.63 +/- 0.73   0.006% * 22.1353% (0.97   0.02   0.02) =   0.016%
    Distance limit 2.98 A violated in 14 structures by 0.61 A, eliminated.
    Peak unassigned.
 
    Peak 2740 (0.42, 3.74, 54.57 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.31, residual support = 6.76:
        T QB    ALA   64 - HA    ALA   61   2.88 +/- 0.20  99.853% * 97.6669% (0.34   2.31   6.76) =  99.998%  kept
          QD1   LEU  115 - HA    ALA   61   8.82 +/- 0.47   0.130% *  1.4030% (0.57   0.02   0.02) =   0.002%
        T QG1   VAL   75 - HA    ALA   61  12.63 +/- 0.69   0.017% *  0.9301% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2741 (6.47, 3.74, 54.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 0.75, residual support = 6.76:
          HN    ALA   64 - HA    ALA   61   3.66 +/- 0.09 100.000% *100.0000% (0.84   0.75   6.76) = 100.000%  kept
    Distance limit 4.08 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 = 2.74, residual support = 17.9:
      O   HN    ALA   61 - HA    ALA   61   2.76 +/- 0.03  99.996% * 92.6350% (0.38   2.74  17.87) = 100.000%  kept
          HN    THR   39 - HA    ALA   61  18.82 +/- 0.66   0.001% *  1.6621% (0.92   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ALA   61  18.89 +/- 0.44   0.001% *  1.4417% (0.80   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ALA   61  22.40 +/- 0.34   0.000% *  1.6147% (0.90   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ALA   61  20.21 +/- 0.31   0.001% *  0.8072% (0.45   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ALA   61  21.77 +/- 0.52   0.000% *  0.9473% (0.53   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    ALA   61  21.30 +/- 0.52   0.000% *  0.6142% (0.34   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ALA   61  26.71 +/- 0.37   0.000% *  0.2778% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 3.73, residual support = 69.8:
      O   QD    PHE   60 - HB3   PHE   60   2.48 +/- 0.17  98.134% * 98.3309% (0.73   3.73  69.81) =  99.995%  kept
          HN    PHE   59 - HB3   PHE   60   5.25 +/- 0.36   1.403% *  0.2019% (0.28   0.02  16.69) =   0.003%
          QE    PHE   59 - HB3   PHE   60   6.61 +/- 0.88   0.407% *  0.4698% (0.65   0.02  16.69) =   0.002%
          HN    LYS+  66 - HB3   PHE   60   8.73 +/- 0.49   0.056% *  0.7247% (1.00   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PHE   60  19.75 +/- 0.36   0.000% *  0.2726% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 4.63, residual support = 69.8:
      O   HN    PHE   60 - HB3   PHE   60   2.53 +/- 0.42  99.996% * 98.2105% (0.20   4.63  69.81) = 100.000%  kept
          HN    GLU-  15 - HB3   PHE   60  15.44 +/- 1.23   0.004% *  1.7895% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2745 (7.75, 2.97, 40.02 ppm):
    5 chemical-shift based assignments, quality = 0.825, support = 0.02, residual support = 0.02:
          HD1   TRP   87 - HB3   PHE   60  18.69 +/- 0.54  21.042% * 23.9067% (0.95   0.02   0.02) =  27.298%  kept
          HN    THR   39 - HB3   PHE   60  18.66 +/- 0.65  21.176% * 23.3294% (0.92   0.02   0.02) =  26.810%  kept
          HN    LYS+ 102 - HB3   PHE   60  19.33 +/- 0.49  17.084% * 20.2366% (0.80   0.02   0.02) =  18.761%  kept
          HN    TRP   27 - HB3   PHE   60  17.49 +/- 0.43  30.944% *  8.6206% (0.34   0.02   0.02) =  14.476%  kept
          HN    GLU-  36 - HB3   PHE   60  21.19 +/- 0.43   9.754% * 23.9067% (0.95   0.02   0.02) =  12.654%  kept
    Distance limit 3.67 A violated in 20 structures by 10.70 A, eliminated.
    Peak unassigned.
 
    Peak 2746 (4.12, 1.35, 18.25 ppm):
    10 chemical-shift based assignments, quality = 0.329, support = 2.0, residual support = 4.93:
          HA    LYS+  81 - QB    ALA   84   2.23 +/- 0.05  99.993% * 85.9051% (0.33   2.00   4.93) = 100.000%  kept
        T HA    ASN   28 - QB    ALA   84  12.62 +/- 0.37   0.003% *  2.3248% (0.89   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   84  15.54 +/- 0.78   0.001% *  2.1845% (0.84   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   84  13.53 +/- 0.29   0.002% *  0.3886% (0.15   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   84  18.67 +/- 0.21   0.000% *  2.2586% (0.87   0.02   0.02) =   0.000%
        T HA    ALA   34 - QB    ALA   84  19.16 +/- 0.38   0.000% *  1.9246% (0.74   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA   84  18.69 +/- 1.04   0.000% *  1.4258% (0.55   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   84  21.03 +/- 0.26   0.000% *  1.0354% (0.40   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA   84  22.15 +/- 0.37   0.000% *  0.6280% (0.24   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   84  28.68 +/- 0.54   0.000% *  1.9246% (0.74   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.18, support = 2.23, residual support = 19.6:
          HA    SER   85 - QB    ALA   84   3.74 +/- 0.01  60.133% * 39.1114% (0.15   2.33  20.65) =  94.764%  kept
          HA    ASP-  86 - QB    ALA   84   6.49 +/- 0.02   2.199% * 53.0943% (0.84   0.56   0.02) =   4.705%  kept
          HB    THR   77 - QB    ALA   84   4.10 +/- 0.26  35.762% *  0.3363% (0.15   0.02   0.02) =   0.485%
          HA    TRP   87 - QB    ALA   84   6.69 +/- 0.03   1.830% *  0.6060% (0.27   0.02   0.02) =   0.045%
        T HA    ASP-  44 - QB    ALA   84  11.47 +/- 0.20   0.072% *  0.4313% (0.19   0.02   0.02) =   0.001%
          HA    LEU  104 - QB    ALA   84  20.77 +/- 0.26   0.002% *  2.1033% (0.93   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    ALA   84  23.10 +/- 0.93   0.001% *  2.0119% (0.89   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    ALA   84  27.41 +/- 1.63   0.000% *  1.8204% (0.81   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   84  29.00 +/- 2.41   0.000% *  0.4852% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 20 structures by 0.41 A, eliminated.
    Peak unassigned.
 
    Peak 2748 (7.60, 1.35, 18.25 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 4.26, residual support = 18.2:
      O   HN    ALA   84 - QB    ALA   84   1.95 +/- 0.01  99.979% * 94.8153% (0.30   4.26  18.19) = 100.000%  kept
          HZ2   TRP   87 - QB    ALA   84   8.47 +/- 0.16   0.015% *  1.0474% (0.70   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    ALA   84  10.78 +/- 0.38   0.004% *  1.2936% (0.87   0.02   0.02) =   0.000%
          HN    ILE   56 - QB    ALA   84  15.19 +/- 0.41   0.000% *  0.9908% (0.66   0.02   0.02) =   0.000%
          QE    PHE   60 - QB    ALA   84  12.28 +/- 0.35   0.002% *  0.2526% (0.17   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QB    ALA   84  15.99 +/- 0.26   0.000% *  0.4452% (0.30   0.02   0.02) =   0.000%
          HN    LEU   63 - QB    ALA   84  19.27 +/- 0.20   0.000% *  1.1550% (0.77   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2750 (8.06, 1.35, 18.25 ppm):
    5 chemical-shift based assignments, quality = 0.773, support = 3.87, residual support = 20.7:
          HN    SER   85 - QB    ALA   84   2.73 +/- 0.04  97.698% * 98.8040% (0.77   3.87  20.65) =  99.995%  kept
          HN    LEU   80 - QB    ALA   84   5.13 +/- 0.22   2.289% *  0.1970% (0.30   0.02   0.02) =   0.005%
          HN    GLN   32 - QB    ALA   84  15.86 +/- 0.36   0.003% *  0.6382% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   84  12.91 +/- 0.46   0.009% *  0.0985% (0.15   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    ALA   84  17.47 +/- 0.34   0.001% *  0.2624% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 0.739, support = 0.863, residual support = 14.8:
          HN    ALA  124 - QB    ALA  120   3.00 +/- 0.08  82.494% * 20.0505% (0.57   0.53   1.23) =  54.454%  kept
          HN    LEU  123 - QB    ALA  120   3.90 +/- 0.13  17.505% * 79.0358% (0.94   1.27  30.96) =  45.546%  kept
          HE21  GLN   17 - QB    ALA  120  20.06 +/- 0.97   0.001% *  0.9136% (0.69   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 1 structures by 0.08 A, kept.
 
    Peak 2752 (4.25, 1.48, 18.41 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 1.58, residual support = 5.15:
        T HA    SER  117 - QB    ALA  120   3.15 +/- 0.11  99.970% * 93.5374% (0.54   1.58   5.15) = 100.000%  kept
          HA    ALA   57 - QB    ALA  120  14.47 +/- 0.23   0.011% *  1.9826% (0.89   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA  120  16.49 +/- 0.63   0.005% *  1.1866% (0.54   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA  120  14.25 +/- 0.28   0.012% *  0.3670% (0.17   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    ALA  120  21.26 +/- 0.52   0.001% *  1.4396% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA  120  26.49 +/- 0.32   0.000% *  1.0201% (0.46   0.02   0.02) =   0.000%
        T HB    THR   26 - QB    ALA  120  26.41 +/- 0.28   0.000% *  0.4666% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2753 (7.73, 1.43, 17.92 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 3.99, residual support = 17.9:
      O   HN    ALA   61 - QB    ALA   61   2.07 +/- 0.08  99.973% * 96.8427% (0.97   3.99  17.87) = 100.000%  kept
          HN    ALA   91 - QB    ALA  110   9.26 +/- 0.35   0.013% *  0.3685% (0.73   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA  110   9.58 +/- 0.32   0.011% *  0.3588% (0.71   0.02   0.02) =   0.000%
          HN    ALA   91 - QB    ALA   61  16.77 +/- 0.34   0.000% *  0.4980% (0.99   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   61  17.13 +/- 0.41   0.000% *  0.4506% (0.90   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA  110  16.75 +/- 0.78   0.000% *  0.2700% (0.54   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA  110  14.26 +/- 0.59   0.001% *  0.1034% (0.21   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA  110  19.17 +/- 0.38   0.000% *  0.3335% (0.66   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   61  17.70 +/- 0.55   0.000% *  0.1551% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   61  19.37 +/- 0.27   0.000% *  0.1397% (0.28   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   61  22.98 +/- 0.29   0.000% *  0.3649% (0.73   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA  110  22.15 +/- 0.54   0.000% *  0.1148% (0.23   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2754 (8.76, 1.42, 18.06 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 2.12, residual support = 9.58:
      O   HN    ALA  110 - QB    ALA  110   2.13 +/- 0.15  99.912% * 97.0566% (0.87   2.12   9.58) = 100.000%  kept
          HN    PHE   45 - QB    ALA  110   7.73 +/- 0.38   0.052% *  0.6829% (0.65   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA   61   9.24 +/- 0.20   0.016% *  0.2172% (0.21   0.02   0.02) =   0.000%
          HN    PHE   45 - QB    ALA   61  10.85 +/- 0.27   0.006% *  0.5053% (0.48   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA  110  10.13 +/- 0.30   0.010% *  0.2935% (0.28   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   61  12.76 +/- 0.42   0.003% *  0.6776% (0.64   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA   61  19.93 +/- 0.46   0.000% *  0.2411% (0.23   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA  110  21.07 +/- 0.42   0.000% *  0.3258% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 8.33:
          HN    ASP-  62 - QB    ALA   61   2.75 +/- 0.06  93.904% * 96.2308% (1.00   2.79   8.33) =  99.982%  kept
          HN    PHE   55 - QB    ALA  110   4.69 +/- 0.49   4.890% *  0.2295% (0.33   0.02   0.47) =   0.012%
          HN    ARG+  54 - QB    ALA  110   5.98 +/- 0.43   0.996% *  0.4440% (0.64   0.02   0.02) =   0.005%
          HN    ARG+  54 - QB    ALA   61   8.98 +/- 0.36   0.080% *  0.6001% (0.87   0.02   0.02) =   0.001%
          HN    PHE   55 - QB    ALA   61   8.64 +/- 0.28   0.100% *  0.3101% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA  110  10.73 +/- 0.31   0.027% *  0.5108% (0.74   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   61  16.95 +/- 0.41   0.002% *  0.6781% (0.98   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA  110  19.62 +/- 0.48   0.001% *  0.5018% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA   61  19.23 +/- 0.53   0.001% *  0.2844% (0.41   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA  110  23.08 +/- 0.31   0.000% *  0.2105% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 0.874, support = 0.0195, residual support = 0.0195:
          HA    LEU  104 - HB2   ASP-  62  17.35 +/- 0.63  51.924% * 28.1529% (1.00   0.02   0.02) =  59.964%  kept
          HA    GLU-  14 - HB2   ASP-  62  18.68 +/- 0.68  33.466% * 21.5631% (0.76   0.02   0.02) =  29.602%  kept
          HA    ALA   12 - HB2   ASP-  62  23.08 +/- 1.75  10.269% * 18.2527% (0.65   0.02   0.02) =   7.689%  kept
          HA    ASP-  86 - HB2   ASP-  62  30.48 +/- 0.30   1.786% * 19.3814% (0.69   0.02   0.02) =   1.420%
          HA    TRP   87 - HB2   ASP-  62  28.71 +/- 0.29   2.555% * 12.6499% (0.45   0.02   0.02) =   1.326%
    Distance limit 3.53 A violated in 20 structures by 12.13 A, eliminated.
    Peak unassigned.
 
    Peak 2757 (4.32, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.827, support = 0.0193, residual support = 0.0193:
          HA    LEU  104 - HB3   ASP-  62  18.55 +/- 0.49  41.745% * 28.1529% (0.98   0.02   0.02) =  49.813%  kept
          HA    GLU-  14 - HB3   ASP-  62  18.63 +/- 0.78  40.804% * 21.5631% (0.75   0.02   0.02) =  37.294%  kept
          HA    ALA   12 - HB3   ASP-  62  23.06 +/- 1.85  12.381% * 18.2527% (0.63   0.02   0.02) =   9.579%  kept
        T HA    ASP-  86 - HB3   ASP-  62  30.56 +/- 0.31   2.089% * 19.3814% (0.67   0.02   0.02) =   1.716%
          HA    TRP   87 - HB3   ASP-  62  28.79 +/- 0.31   2.981% * 12.6499% (0.44   0.02   0.02) =   1.599%
    Distance limit 3.26 A violated in 20 structures by 12.88 A, eliminated.
    Peak unassigned.
 
    Peak 2758 (6.93, 4.22, 57.45 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.75, residual support = 3.18:
          HN    LYS+  65 - HA    ASP-  62   3.44 +/- 0.20 100.000% *100.0000% (0.15   0.75   3.18) = 100.000%  kept
    Distance limit 3.69 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   2.83 +/- 0.01  99.986% * 98.6060% (1.00   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HA    ASP-  62  14.69 +/- 0.35   0.005% *  0.4467% (0.87   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ASP-  62  13.64 +/- 0.28   0.008% *  0.2309% (0.45   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ASP-  62  21.54 +/- 0.44   0.001% *  0.5047% (0.98   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ASP-  62  22.13 +/- 0.63   0.000% *  0.2117% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.34 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   2.82 +/- 0.29  99.947% * 98.7156% (0.97   5.25  42.53) = 100.000%  kept
          HN    ILE   56 - HB2   ASP-  62  10.94 +/- 0.32   0.040% *  0.3493% (0.90   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   ASP-  62  13.29 +/- 0.50   0.012% *  0.2049% (0.53   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASP-  62  25.24 +/- 0.37   0.000% *  0.2675% (0.69   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   ASP-  62  25.47 +/- 0.40   0.000% *  0.2049% (0.53   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASP-  62  26.91 +/- 0.42   0.000% *  0.1896% (0.49   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   ASP-  62  27.88 +/- 0.70   0.000% *  0.0682% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2761 (7.87, 2.65, 41.28 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HB2   ASP-  62   2.79 +/- 0.22  99.993% * 98.1835% (0.69   3.84  41.03) = 100.000%  kept
          HN    ARG+  54 - HB2   ASP-  62  14.09 +/- 0.49   0.006% *  0.7188% (0.97   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ASP-  62  22.23 +/- 0.69   0.000% *  0.6460% (0.87   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ASP-  62  21.84 +/- 0.49   0.000% *  0.4517% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2762 (7.60, 2.45, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 5.25, residual support = 42.5:
          HN    LEU   63 - HB3   ASP-  62   3.43 +/- 0.23  99.807% * 98.7156% (0.95   5.25  42.53) =  99.999%  kept
          HN    ILE   56 - HB3   ASP-  62  10.21 +/- 0.33   0.160% *  0.3493% (0.88   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HB3   ASP-  62  13.33 +/- 0.51   0.031% *  0.2049% (0.52   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   ASP-  62  25.52 +/- 0.31   0.001% *  0.2675% (0.67   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   ASP-  62  25.39 +/- 0.39   0.001% *  0.2049% (0.52   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   ASP-  62  27.23 +/- 0.42   0.000% *  0.1896% (0.48   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   ASP-  62  28.48 +/- 0.73   0.000% *  0.0682% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2763 (7.86, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.978, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HB3   ASP-  62   2.24 +/- 0.21  99.992% * 98.6060% (0.98   3.84  41.03) = 100.000%  kept
          HN    PHE   55 - HB3   ASP-  62  11.74 +/- 0.45   0.005% *  0.2309% (0.44   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB3   ASP-  62  13.14 +/- 0.47   0.003% *  0.4467% (0.85   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ASP-  62  22.29 +/- 0.51   0.000% *  0.5047% (0.96   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ASP-  62  23.16 +/- 0.71   0.000% *  0.2117% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2764 (1.82, 3.50, 57.67 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.35, residual support = 6.08:
          QB    LYS+  66 - HA    LEU   63   2.33 +/- 0.42  98.240% * 95.4536% (1.00   2.35   6.08) =  99.991%  kept
          QB    LYS+  65 - HA    LEU   63   5.23 +/- 0.15   1.507% *  0.4605% (0.57   0.02   1.19) =   0.007%
          HG    LEU  123 - HA    LEU   63   7.41 +/- 0.50   0.237% *  0.4605% (0.57   0.02   0.02) =   0.001%
          HB    VAL   41 - HA    LEU   63  13.42 +/- 0.33   0.005% *  0.7694% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LEU   63  12.52 +/- 0.40   0.007% *  0.4279% (0.53   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   63  16.46 +/- 0.83   0.001% *  0.7295% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   63  16.33 +/- 0.88   0.001% *  0.6794% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   63  16.74 +/- 0.40   0.001% *  0.5587% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU   63  17.65 +/- 0.66   0.001% *  0.4605% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2765 (7.29, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 1.61, residual support = 6.07:
          HN    LYS+  66 - HA    LEU   63   3.22 +/- 0.15  88.730% * 95.3829% (0.53   1.61   6.08) =  99.909%  kept
          QD    PHE   60 - HA    LEU   63   6.18 +/- 0.60   2.292% *  2.1774% (0.97   0.02  12.09) =   0.059%
          QE    PHE   59 - HA    LEU   63   4.97 +/- 0.72   8.978% *  0.3054% (0.14   0.02   1.00) =   0.032%
          HN    LYS+  81 - HA    LEU   63  25.98 +/- 0.38   0.000% *  2.1343% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2766 (7.59, 3.50, 57.67 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.54, residual support = 243.6:
      O   HN    LEU   63 - HA    LEU   63   2.81 +/- 0.02  99.984% * 99.0656% (1.00   7.54 243.64) = 100.000%  kept
          HN    ILE   56 - HA    LEU   63  13.24 +/- 0.17   0.009% *  0.2611% (0.99   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    LEU   63  14.49 +/- 0.46   0.005% *  0.1913% (0.73   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    LEU   63  22.97 +/- 0.35   0.000% *  0.1282% (0.49   0.02   0.02) =   0.000%
          HN    ALA   84 - HA    LEU   63  24.63 +/- 0.32   0.000% *  0.1913% (0.73   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    LEU   63  24.71 +/- 0.70   0.000% *  0.0813% (0.31   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    LEU   63  25.24 +/- 0.29   0.000% *  0.0813% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 12.1:
        T HA    PHE   60 - HB2   LEU   63   2.11 +/- 0.22  99.920% * 86.6046% (0.49   1.50  12.09) =  99.999%  kept
          HA    LYS+  65 - HB2   LEU   63   7.64 +/- 0.12   0.050% *  0.4155% (0.18   0.02   1.19) =   0.000%
          HA    ALA  120 - HB2   LEU   63  10.41 +/- 0.51   0.011% *  1.2481% (0.53   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   LEU   63  11.66 +/- 0.49   0.005% *  2.3253% (0.98   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   LEU   63  11.82 +/- 0.50   0.005% *  2.1899% (0.92   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU   63  13.01 +/- 0.15   0.002% *  2.0578% (0.87   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU   63  11.32 +/- 0.41   0.005% *  0.5282% (0.22   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU   63  17.29 +/- 0.90   0.000% *  1.8130% (0.76   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU   63  18.21 +/- 0.24   0.000% *  2.2894% (0.97   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU   63  23.72 +/- 0.30   0.000% *  0.5282% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2768 (6.48, 1.34, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.74, residual support = 54.0:
          HN    ALA   64 - HB2   LEU   63   2.71 +/- 0.12 100.000% *100.0000% (0.57   6.74  53.96) = 100.000%  kept
    Distance limit 3.78 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 = 2.53, residual support = 19.1:
          QE    PHE   72 - HB2   LEU   63   2.58 +/- 0.75  99.992% * 99.3183% (0.99   2.53  19.08) = 100.000%  kept
          HN    ALA   47 - HB2   LEU   63  15.11 +/- 0.30   0.007% *  0.3556% (0.45   0.02   0.02) =   0.000%
          HD22  ASN   28 - HB2   LEU   63  21.43 +/- 0.59   0.001% *  0.3261% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2770 (7.59, 1.34, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.98, residual support = 243.6:
      O   HN    LEU   63 - HB2   LEU   63   2.20 +/- 0.07  99.990% * 99.1168% (1.00   7.98 243.64) = 100.000%  kept
          HN    ILE   56 - HB2   LEU   63  11.05 +/- 0.25   0.006% *  0.2468% (0.99   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   LEU   63  12.57 +/- 0.51   0.003% *  0.1808% (0.73   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LEU   63  21.76 +/- 0.40   0.000% *  0.1808% (0.73   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LEU   63  20.77 +/- 0.52   0.000% *  0.1212% (0.49   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   LEU   63  22.71 +/- 0.32   0.000% *  0.0768% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LEU   63  23.38 +/- 0.92   0.000% *  0.0768% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.36 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   4.34 +/- 0.06  99.767% * 98.5497% (0.76   4.54  42.53) =  99.999%  kept
          HN    PHE   55 - HB2   LEU   63  13.21 +/- 0.31   0.125% *  0.5092% (0.90   0.02   0.02) =   0.001%
          HN    ARG+  54 - HB2   LEU   63  14.24 +/- 0.21   0.080% *  0.2334% (0.41   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   LEU   63  17.32 +/- 0.67   0.026% *  0.4743% (0.84   0.02   0.02) =   0.000%
          HN    ALA   88 - HB2   LEU   63  25.57 +/- 0.32   0.002% *  0.2334% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2772 (6.48, 0.88, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.84, residual support = 54.0:
          HN    ALA   64 - HB3   LEU   63   3.45 +/- 0.26 100.000% *100.0000% (0.57   6.84  53.96) = 100.000%  kept
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2773 (6.72, 0.88, 41.55 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.25, residual support = 19.1:
        T HZ    PHE   72 - HB3   LEU   63   2.60 +/- 0.77  99.994% * 99.8908% (0.87   3.25  19.08) = 100.000%  kept
          HZ2   TRP   27 - HB3   LEU   63  15.30 +/- 0.62   0.006% *  0.1092% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 2 structures by 0.04 A, kept.
 
    Peak 2774 (7.59, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.61, residual support = 243.6:
      O   HN    LEU   63 - HB3   LEU   63   3.45 +/- 0.10  99.923% * 99.0737% (1.00   7.61 243.64) = 100.000%  kept
          HN    ILE   56 - HB3   LEU   63  12.62 +/- 0.31   0.042% *  0.2588% (0.99   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB3   LEU   63  13.44 +/- 0.55   0.029% *  0.1896% (0.73   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   LEU   63  20.71 +/- 0.80   0.002% *  0.1271% (0.49   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LEU   63  22.37 +/- 0.58   0.001% *  0.1896% (0.73   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LEU   63  22.73 +/- 1.17   0.001% *  0.0806% (0.31   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   LEU   63  22.78 +/- 0.47   0.001% *  0.0806% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 7.59, residual support = 243.6:
          HN    LEU   63 - HG    LEU   63   2.83 +/- 0.41  97.537% * 98.9460% (0.76   7.59 243.64) =  99.998%  kept
          QE    PHE   60 - HG    LEU   63   6.52 +/- 0.63   2.415% *  0.0675% (0.20   0.02  12.09) =   0.002%
          HN    ILE   56 - HG    LEU   63  11.23 +/- 0.68   0.027% *  0.2208% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG    LEU   63  11.96 +/- 0.85   0.019% *  0.0949% (0.28   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG    LEU   63  22.44 +/- 0.78   0.001% *  0.3151% (0.92   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG    LEU   63  23.80 +/- 0.60   0.000% *  0.2608% (0.76   0.02   0.02) =   0.000%
          HN    ALA   84 - HG    LEU   63  23.16 +/- 0.46   0.000% *  0.0949% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2776 (3.94, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.135, support = 3.43, residual support = 12.1:
        T HA    PHE   60 - QD1   LEU   63   2.59 +/- 0.36  98.779% * 58.8238% (0.14   3.43  12.09) =  99.964%  kept
          HA    ALA  120 - QD1   LEU   63   7.70 +/- 0.49   0.286% *  2.3964% (0.95   0.02   0.02) =   0.012%
          HA    LYS+ 121 - QD1   LEU   63   8.12 +/- 0.51   0.221% *  2.3385% (0.92   0.02   0.02) =   0.009%
          QB    SER  117 - QD1   LEU   63   7.94 +/- 0.40   0.187% *  1.5365% (0.61   0.02   0.02) =   0.005%
          HA    LYS+  65 - QD1   LEU   63   8.47 +/- 0.27   0.104% *  1.4342% (0.57   0.02   1.19) =   0.003%
          HB    THR   94 - QD1   LEU   63   9.49 +/- 0.17   0.051% *  2.4448% (0.97   0.02   0.02) =   0.002%
          HA    LYS+ 121 - QD1   LEU  104   7.74 +/- 0.45   0.178% *  0.5724% (0.23   0.02   0.02) =   0.002%
          HB    THR   94 - QD1   LEU   73  11.42 +/- 0.37   0.017% *  2.4448% (0.97   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD1   LEU   63  11.45 +/- 0.58   0.017% *  1.6388% (0.65   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   73  13.14 +/- 0.56   0.008% *  2.5276% (1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU  104  10.37 +/- 0.44   0.031% *  0.5866% (0.23   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU   73  12.37 +/- 0.69   0.011% *  1.6388% (0.65   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU   73  13.05 +/- 0.41   0.008% *  1.4342% (0.57   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   73  13.53 +/- 0.22   0.007% *  1.6388% (0.65   0.02   0.02) =   0.000%
        T HA    PHE   60 - QD1   LEU   73  10.59 +/- 0.28   0.027% *  0.3428% (0.14   0.02   0.76) =   0.000%
          QB    SER   48 - QD1   LEU   63  14.73 +/- 0.68   0.004% *  2.5276% (1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU  104  11.22 +/- 0.40   0.019% *  0.3761% (0.15   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   63  15.25 +/- 0.39   0.003% *  2.1974% (0.87   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD1   LEU   73  17.17 +/- 0.35   0.001% *  2.3385% (0.92   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  104  14.07 +/- 0.24   0.005% *  0.5984% (0.24   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU   73  18.07 +/- 0.39   0.001% *  2.3964% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU  104  13.57 +/- 0.54   0.007% *  0.3511% (0.14   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU   73  16.93 +/- 0.41   0.002% *  1.5365% (0.61   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   73  18.74 +/- 0.34   0.001% *  2.1974% (0.87   0.02   0.02) =   0.000%
        T HA    PHE   60 - QD1   LEU  104  11.34 +/- 0.34   0.020% *  0.0839% (0.03   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  104  14.95 +/- 1.02   0.004% *  0.4011% (0.16   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   63  19.36 +/- 0.31   0.001% *  1.6388% (0.65   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  104  20.89 +/- 0.45   0.000% *  0.6187% (0.24   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  104  21.73 +/- 0.35   0.000% *  0.4011% (0.16   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  104  23.78 +/- 0.35   0.000% *  0.5379% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2777 (6.37, 0.58, 26.34 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 1.59, residual support = 10.1:
        T HZ3   TRP   27 - QD1   LEU   73   2.39 +/- 0.28  99.790% * 94.5405% (0.49   1.59  10.05) =  99.996%  kept
          HZ    PHE   45 - QD1   LEU   73   7.17 +/- 0.43   0.175% *  1.7730% (0.73   0.02   0.02) =   0.003%
        T HZ3   TRP   27 - QD1   LEU   63  10.48 +/- 0.46   0.017% *  1.1885% (0.49   0.02   0.02) =   0.000%
          HZ    PHE   45 - QD1   LEU   63  11.71 +/- 0.29   0.009% *  1.7730% (0.73   0.02   0.02) =   0.000%
          HZ    PHE   45 - QD1   LEU  104  13.65 +/- 0.28   0.003% *  0.4340% (0.18   0.02   0.02) =   0.000%
        T HZ3   TRP   27 - QD1   LEU  104  12.63 +/- 0.64   0.005% *  0.2909% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2778 (7.28, 0.58, 26.34 ppm):
    15 chemical-shift based assignments, quality = 0.658, support = 1.16, residual support = 6.0:
          QE    PHE   59 - QD1   LEU   63   2.23 +/- 0.27  80.462% * 21.0242% (0.49   0.81   1.00) =  54.948%  kept
          QD    PHE   60 - QD1   LEU   63   3.07 +/- 0.43  18.939% * 73.2204% (0.87   1.58  12.09) =  45.043%  kept
          HN    LYS+  66 - QD1   LEU   63   6.24 +/- 0.16   0.167% *  1.0113% (0.95   0.02   6.08) =   0.005%
          HN    PHE   59 - QD1   LEU   63   5.58 +/- 0.41   0.354% *  0.1872% (0.18   0.02   1.00) =   0.002%
          QD    PHE   60 - QD1   LEU   73   8.01 +/- 0.22   0.036% *  0.9274% (0.87   0.02   0.76) =   0.001%
          QE    PHE   59 - QD1   LEU   73  11.61 +/- 0.96   0.005% *  0.5204% (0.49   0.02   0.02) =   0.000%
          QE    PHE   59 - QD1   LEU  104   9.07 +/- 0.35   0.017% *  0.1274% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD1   LEU   73  13.07 +/- 0.23   0.002% *  1.0113% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   73  12.10 +/- 0.38   0.003% *  0.5625% (0.53   0.02   0.02) =   0.000%
          QD    PHE   60 - QD1   LEU  104  10.41 +/- 0.30   0.008% *  0.2270% (0.21   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD1   LEU  104  11.59 +/- 0.44   0.004% *  0.2476% (0.23   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU   73  14.51 +/- 0.31   0.001% *  0.1872% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   63  19.31 +/- 0.48   0.000% *  0.5625% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU  104  14.93 +/- 0.32   0.001% *  0.0458% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  104  22.78 +/- 0.51   0.000% *  0.1377% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2779 (7.60, 0.58, 26.34 ppm):
    21 chemical-shift based assignments, quality = 0.747, support = 6.4, residual support = 236.6:
          HN    LEU   63 - QD1   LEU   63   3.64 +/- 0.19  60.863% * 92.0343% (0.76   6.56 243.64) =  96.958%  kept
          QE    PHE   60 - QD1   LEU   63   4.05 +/- 0.38  34.006% *  5.1435% (0.20   1.42  12.09) =   3.028%  kept
          HD21  ASN   28 - QD1   LEU   73   6.75 +/- 0.29   1.560% *  0.3390% (0.92   0.02   0.02) =   0.009%
          QE    PHE   60 - QD1   LEU   73   6.22 +/- 0.22   2.501% *  0.0727% (0.20   0.02   0.76) =   0.003%
          HN    ILE   56 - QD1   LEU   63   8.95 +/- 0.36   0.280% *  0.2375% (0.65   0.02   0.02) =   0.001%
          HN    LYS+ 111 - QD1   LEU   63   8.89 +/- 0.48   0.312% *  0.1021% (0.28   0.02   0.02) =   0.001%
          HZ2   TRP   87 - QD1   LEU   73  11.74 +/- 0.60   0.060% *  0.2806% (0.76   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU   73  12.38 +/- 0.34   0.040% *  0.2806% (0.76   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   73  11.49 +/- 0.24   0.063% *  0.1021% (0.28   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU  104  11.74 +/- 0.38   0.056% *  0.0687% (0.19   0.02   0.02) =   0.000%
          QE    PHE   60 - QD1   LEU  104   9.50 +/- 0.35   0.199% *  0.0178% (0.05   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU   73  15.38 +/- 0.47   0.011% *  0.2375% (0.65   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU   63  17.24 +/- 0.45   0.005% *  0.3390% (0.92   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU   63  17.96 +/- 0.44   0.004% *  0.2806% (0.76   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   73  16.24 +/- 0.40   0.008% *  0.1021% (0.28   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU  104  17.15 +/- 0.49   0.006% *  0.0830% (0.23   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   63  17.72 +/- 0.35   0.005% *  0.1021% (0.28   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU  104  18.04 +/- 0.43   0.004% *  0.0687% (0.19   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU  104  17.80 +/- 0.38   0.005% *  0.0581% (0.16   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU  104  15.49 +/- 0.30   0.010% *  0.0250% (0.07   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU  104  20.70 +/- 0.41   0.002% *  0.0250% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2782 (6.47, 2.84, 53.98 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.22, residual support = 20.8:
      O   HN    ALA   64 - HA    ALA   64   2.79 +/- 0.04 100.000% *100.0000% (0.97   4.22  20.76) = 100.000%  kept
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2783 (6.70, 2.84, 53.98 ppm):
    3 chemical-shift based assignments, quality = 0.776, support = 2.92, residual support = 40.3:
        T QD    PHE   72 - HA    ALA   64   3.04 +/- 0.39  58.989% * 61.3162% (0.87   2.96  40.29) =  69.695%  kept
        T HZ    PHE   72 - HA    ALA   64   3.38 +/- 0.49  41.004% * 38.3553% (0.57   2.83  40.29) =  30.305%  kept
          QE    PHE   45 - HA    ALA   64  13.78 +/- 0.45   0.007% *  0.3285% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2785 (7.34, 2.84, 53.98 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 1.19, residual support = 4.27:
          HN    LEU   67 - HA    ALA   64   3.29 +/- 0.21  99.552% * 92.6457% (0.87   1.19   4.27) =  99.992%  kept
          QE    PHE   95 - HA    ALA   64   8.47 +/- 0.70   0.404% *  1.7643% (0.98   0.02   0.02) =   0.008%
          HE3   TRP   27 - HA    ALA   64  13.75 +/- 0.31   0.020% *  1.0191% (0.57   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    ALA   64  15.90 +/- 0.48   0.008% *  1.1644% (0.65   0.02   0.02) =   0.000%
          HN    THR   23 - HA    ALA   64  17.88 +/- 0.28   0.004% *  1.7840% (0.99   0.02   0.02) =   0.000%
          HD2   HIS   22 - HA    ALA   64  15.42 +/- 0.33   0.010% *  0.6755% (0.38   0.02   0.02) =   0.000%
          HD1   TRP   49 - HA    ALA   64  23.11 +/- 0.57   0.001% *  0.9470% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2786 (0.76, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 1.84, residual support = 8.15:
          QG2   VAL   18 - QB    ALA   64   2.78 +/- 0.37  97.978% * 94.5729% (0.84   1.84   8.15) =  99.986%  kept
          QD2   LEU   73 - QB    ALA   64   6.02 +/- 0.22   1.112% *  0.4631% (0.38   0.02   0.24) =   0.006%
          QG1   VAL   43 - QB    ALA   64   7.72 +/- 0.40   0.254% *  1.2094% (0.98   0.02   0.02) =   0.003%
          QG2   THR   46 - QB    ALA   64   8.22 +/- 0.41   0.177% *  0.8959% (0.73   0.02   0.02) =   0.002%
          QD1   ILE   19 - QB    ALA   64   7.66 +/- 0.34   0.281% *  0.4631% (0.38   0.02   0.02) =   0.001%
          QG1   VAL   41 - QB    ALA   64   9.10 +/- 0.22   0.097% *  1.2229% (0.99   0.02   0.02) =   0.001%
          QD1   ILE   56 - QB    ALA   64   9.53 +/- 0.32   0.072% *  0.2161% (0.18   0.02   0.02) =   0.000%
          HG    LEU   31 - QB    ALA   64  13.42 +/- 0.65   0.010% *  0.6491% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  104 - QB    ALA   64  11.98 +/- 0.37   0.018% *  0.3076% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2787 (1.44, 0.40, 18.57 ppm):
    13 chemical-shift based assignments, quality = 0.891, support = 1.11, residual support = 6.03:
          QB    ALA   61 - QB    ALA   64   4.18 +/- 0.14  62.890% * 17.0626% (0.92   0.99   6.76) =  65.751%  kept
          HB3   LEU   67 - QB    ALA   64   5.65 +/- 0.61  11.139% * 23.5382% (0.99   1.27   4.27) =  16.065%  kept
          QG    LYS+  66 - QB    ALA   64   6.23 +/- 0.45   6.265% * 21.6532% (0.98   1.18   7.08) =   8.312%  kept
          HG    LEU   67 - QB    ALA   64   6.06 +/- 1.20  14.328% *  8.0064% (0.28   1.54   4.27) =   7.029%  kept
          HG    LEU   73 - QB    ALA   64   7.77 +/- 0.34   1.616% * 28.2208% (0.87   1.74   0.24) =   2.795%  kept
          HG12  ILE   19 - QB    ALA   64   7.48 +/- 0.64   2.281% *  0.2423% (0.65   0.02   0.02) =   0.034%
          HG    LEU   40 - QB    ALA   64   8.56 +/- 0.71   0.965% *  0.1405% (0.38   0.02   0.02) =   0.008%
          QB    ALA  110 - QB    ALA   64  11.32 +/- 0.36   0.160% *  0.2719% (0.73   0.02   0.02) =   0.003%
          HB3   LEU  115 - QB    ALA   64  10.66 +/- 0.57   0.238% *  0.1405% (0.38   0.02   0.02) =   0.002%
          HG    LEU   80 - QB    ALA   64  15.51 +/- 0.93   0.027% *  0.2862% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   64  13.51 +/- 0.66   0.058% *  0.0578% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QB    ALA   64  17.81 +/- 0.86   0.011% *  0.2862% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   64  15.64 +/- 0.38   0.023% *  0.0934% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2788 (1.44, 2.84, 53.98 ppm):
    13 chemical-shift based assignments, quality = 0.882, support = 1.81, residual support = 4.44:
          HB3   LEU   67 - HA    ALA   64   4.37 +/- 0.67  52.842% * 44.8625% (0.99   1.82   4.27) =  78.512%  kept
          HG    LEU   67 - HA    ALA   64   5.01 +/- 1.15  35.874% * 12.7402% (0.28   1.84   4.27) =  15.136%  kept
          QG    LYS+  66 - HA    ALA   64   6.61 +/- 0.37   4.793% * 39.4845% (0.98   1.62   7.08) =   6.268%  kept
          QB    ALA   61 - HA    ALA   64   6.71 +/- 0.09   4.080% *  0.4599% (0.92   0.02   6.76) =   0.062%
          HG    LEU   73 - HA    ALA   64   9.43 +/- 0.32   0.544% *  0.4322% (0.87   0.02   0.24) =   0.008%
          HG    LEU   40 - HA    ALA   64   8.44 +/- 0.77   1.232% *  0.1870% (0.38   0.02   0.02) =   0.008%
          HG12  ILE   19 - HA    ALA   64   9.89 +/- 0.56   0.444% *  0.3223% (0.65   0.02   0.02) =   0.005%
          HB3   LEU  115 - HA    ALA   64  12.88 +/- 0.72   0.087% *  0.1870% (0.38   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    ALA   64  14.41 +/- 0.42   0.042% *  0.3618% (0.73   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HA    ALA   64  14.71 +/- 0.83   0.041% *  0.0769% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   64  19.57 +/- 1.12   0.007% *  0.3808% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   64  19.72 +/- 1.06   0.007% *  0.3808% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   64  19.86 +/- 0.43   0.006% *  0.1242% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2789 (2.28, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 2.75, residual support = 40.3:
        T HB3   PHE   72 - QB    ALA   64   3.06 +/- 0.35  97.369% * 95.5190% (0.76   2.75  40.29) =  99.977%  kept
          QG    GLU-  15 - QB    ALA   64   6.90 +/- 0.71   1.300% *  0.8609% (0.95   0.02   0.02) =   0.012%
          HB2   ASP-  44 - QB    ALA   64   6.67 +/- 0.45   1.032% *  0.7894% (0.87   0.02   0.02) =   0.009%
          QG    GLU-  14 - QB    ALA   64   9.49 +/- 0.89   0.160% *  0.7602% (0.84   0.02   0.02) =   0.001%
          HG12  ILE  119 - QB    ALA   64   9.80 +/- 0.48   0.117% *  0.3104% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - QB    ALA   64  15.09 +/- 1.39   0.010% *  0.8162% (0.90   0.02   0.02) =   0.000%
          QG    GLN   90 - QB    ALA   64  18.01 +/- 0.52   0.003% *  0.6251% (0.69   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    ALA   64  16.79 +/- 1.19   0.004% *  0.1594% (0.18   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    ALA   64  16.72 +/- 0.59   0.004% *  0.1594% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2790 (3.74, 0.40, 18.57 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 2.31, residual support = 6.76:
        T HA    ALA   61 - QB    ALA   64   2.88 +/- 0.20  99.204% * 98.4146% (1.00   2.31   6.76) =  99.994%  kept
          HD2   PRO   68 - QB    ALA   64   6.83 +/- 0.48   0.656% *  0.7880% (0.92   0.02   0.02) =   0.005%
          HD3   PRO   58 - QB    ALA   64   9.13 +/- 0.26   0.100% *  0.4155% (0.49   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   64  10.89 +/- 0.25   0.036% *  0.2129% (0.25   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   64  15.57 +/- 0.35   0.004% *  0.1689% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2791 (3.99, 0.40, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 1.84, residual support = 8.15:
          HA    VAL   18 - QB    ALA   64   3.37 +/- 0.27  99.041% * 92.8642% (0.90   1.84   8.15) =  99.995%  kept
          HA    VAL   70 - QB    ALA   64   7.56 +/- 0.24   0.823% *  0.4639% (0.41   0.02   0.02) =   0.004%
          HA    GLN  116 - QB    ALA   64  11.79 +/- 0.40   0.059% *  0.4639% (0.41   0.02   0.02) =   0.000%
          HA    SER   48 - QB    ALA   64  14.15 +/- 0.79   0.021% *  1.0674% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   64  13.97 +/- 0.49   0.020% *  0.8193% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   64  15.62 +/- 0.45   0.011% *  0.9787% (0.87   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   64  15.63 +/- 0.41   0.011% *  0.8193% (0.73   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA   64  16.43 +/- 0.92   0.009% *  0.5936% (0.53   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    ALA   64  19.63 +/- 0.59   0.003% *  1.0674% (0.95   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    ALA   64  21.66 +/- 0.35   0.002% *  0.8623% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2792 (4.44, 0.40, 18.57 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 1.22, residual support = 2.45:
        T HA    GLN   17 - QB    ALA   64   2.93 +/- 0.31  99.560% * 89.6770% (0.49   1.22   2.45) =  99.987%  kept
        T HA    VAL   42 - QB    ALA   64   7.72 +/- 0.36   0.367% *  2.9526% (0.98   0.02   0.02) =   0.012%
        T HA    PHE   55 - QB    ALA   64  12.29 +/- 0.31   0.021% *  2.0691% (0.69   0.02   0.02) =   0.000%
          HA    THR   46 - QB    ALA   64  11.98 +/- 0.49   0.026% *  1.2384% (0.41   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   64  12.66 +/- 0.41   0.018% *  1.1305% (0.38   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   64  14.90 +/- 0.54   0.006% *  1.4662% (0.49   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   64  18.27 +/- 0.40   0.002% *  1.4662% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2793 (8.27, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.25, residual support = 8.15:
          HN    VAL   18 - QB    ALA   64   3.07 +/- 0.25  99.971% * 99.5979% (1.00   2.25   8.15) = 100.000%  kept
          HN    SER   13 - QB    ALA   64  12.80 +/- 0.60   0.021% *  0.2467% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    ALA   64  15.01 +/- 0.44   0.008% *  0.1554% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2795 (6.70, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 4.85, residual support = 40.3:
        T QD    PHE   72 - QB    ALA   64   2.31 +/- 0.36  97.367% * 99.4079% (0.87   4.85  40.29) =  99.993%  kept
          HZ    PHE   72 - QB    ALA   64   4.49 +/- 0.40   2.622% *  0.2675% (0.57   0.02  40.29) =   0.007%
          QE    PHE   45 - QB    ALA   64  11.23 +/- 0.33   0.011% *  0.3246% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.49 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   2.06 +/- 0.08 100.000% *100.0000% (0.57   4.22  20.76) = 100.000%  kept
    Distance limit 3.13 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 = 6.07, residual support = 160.4:
      O   HN    LYS+  65 - HA    LYS+  65   2.84 +/- 0.03  99.996% * 99.9628% (0.71   6.07 160.36) = 100.000%  kept
          HN    LYS+  65 - HA    LYS+ 121  15.12 +/- 0.37   0.004% *  0.0372% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.85, support = 0.0199, residual support = 0.0199:
          HN    GLY   16 - HA    LYS+  65   6.70 +/- 0.81  76.553% * 34.8898% (0.87   0.02   0.02) =  97.050%  kept
          HN    SER  117 - HA    LYS+ 121   8.31 +/- 0.18  23.069% *  3.1809% (0.08   0.02   0.02) =   2.666%  kept
          HN    SER  117 - HA    LYS+  65  17.82 +/- 0.44   0.244% * 28.1870% (0.71   0.02   0.02) =   0.250%
          HN    SER   82 - HA    LYS+  65  27.45 +/- 0.49   0.018% * 26.7825% (0.67   0.02   0.02) =   0.017%
          HN    GLY   16 - HA    LYS+ 121  20.44 +/- 0.72   0.108% *  3.9373% (0.10   0.02   0.02) =   0.015%
          HN    SER   82 - HA    LYS+ 121  31.36 +/- 0.65   0.008% *  3.0224% (0.08   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 20 structures by 2.90 A, eliminated.
    Peak unassigned.
 
    Peak 2799 (6.93, 0.40, 18.57 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 4.63, residual support = 26.7:
          HN    LYS+  65 - QB    ALA   64   2.66 +/- 0.21 100.000% *100.0000% (0.31   4.63  26.66) = 100.000%  kept
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2800 (6.97, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 4.06, residual support = 40.3:
          QE    PHE   72 - HA    ALA   64   2.77 +/- 0.36  99.999% * 99.3440% (0.65   4.06  40.29) = 100.000%  kept
          HD22  ASN   28 - HA    ALA   64  20.58 +/- 0.39   0.001% *  0.6560% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 1.68, residual support = 3.18:
          HA    ASP-  62 - QB    LYS+  65   2.48 +/- 0.33  99.997% * 97.6902% (0.80   1.68   3.18) = 100.000%  kept
          HA    SER  117 - QB    LYS+  65  14.70 +/- 0.54   0.003% *  0.3234% (0.22   0.02   0.02) =   0.000%
          HB    THR   26 - QB    LYS+  65  20.49 +/- 0.51   0.000% *  0.8225% (0.57   0.02   0.02) =   0.000%
          HA    SER   82 - QB    LYS+  65  27.33 +/- 0.38   0.000% *  0.9398% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  25 - QB    LYS+  65  24.13 +/- 0.49   0.000% *  0.2242% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2802 (6.92, 1.80, 33.13 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 6.87, residual support = 160.4:
      O   HN    LYS+  65 - QB    LYS+  65   2.22 +/- 0.07 100.000% *100.0000% (0.76   6.87 160.36) = 100.000%  kept
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2803 (7.29, 1.80, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 6.05, residual support = 27.5:
          HN    LYS+  66 - QB    LYS+  65   3.02 +/- 0.13  99.373% * 98.7314% (0.53   6.05  27.52) =  99.997%  kept
          QD    PHE   60 - QB    LYS+  65   7.53 +/- 0.30   0.450% *  0.5983% (0.97   0.02   0.02) =   0.003%
          QE    PHE   59 - QB    LYS+  65   8.77 +/- 0.37   0.177% *  0.0839% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  65  24.44 +/- 0.43   0.000% *  0.5864% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2804 (6.93, 1.50, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.309, support = 5.44, residual support = 160.4:
          HN    LYS+  65 - HG2   LYS+  65   3.08 +/- 0.24 100.000% *100.0000% (0.31   5.44 160.36) = 100.000%  kept
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2805 (3.97, 1.38, 25.13 ppm):
    44 chemical-shift based assignments, quality = 0.867, support = 5.27, residual support = 160.3:
      O T HA    LYS+  65 - HG3   LYS+  65   2.49 +/- 0.54  96.748% * 92.7091% (0.87   5.27 160.36) =  99.991%  kept
        T HA    GLN   32 - HG3   LYS+  33   5.91 +/- 0.84   1.911% *  0.2404% (0.59   0.02  13.90) =   0.005%
          HA2   GLY   16 - HG3   LYS+  65   5.87 +/- 1.41   1.162% *  0.3245% (0.80   0.02   0.02) =   0.004%
          HB    THR   94 - HG3   LYS+ 106   8.39 +/- 0.63   0.127% *  0.0298% (0.07   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+  33  15.19 +/- 1.58   0.005% *  0.2802% (0.69   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 102  14.76 +/- 1.63   0.004% *  0.2265% (0.56   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  65  15.19 +/- 0.59   0.004% *  0.1817% (0.45   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+  33  17.65 +/- 1.47   0.002% *  0.3036% (0.75   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 106  12.00 +/- 0.39   0.014% *  0.0230% (0.06   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 106  15.19 +/- 0.31   0.003% *  0.0762% (0.19   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  19.08 +/- 1.26   0.001% *  0.1666% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  21.49 +/- 1.05   0.001% *  0.3515% (0.87   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  17.69 +/- 1.03   0.001% *  0.1168% (0.29   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  65  18.57 +/- 1.45   0.001% *  0.1010% (0.25   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  33  21.36 +/- 1.20   0.001% *  0.2802% (0.69   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 102  16.49 +/- 1.34   0.003% *  0.0446% (0.11   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 106  19.40 +/- 0.75   0.001% *  0.1475% (0.36   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  20.24 +/- 1.42   0.001% *  0.1475% (0.36   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 106  19.80 +/- 0.82   0.001% *  0.1362% (0.34   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 102  20.61 +/- 1.18   0.001% *  0.1479% (0.36   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  22.90 +/- 0.68   0.000% *  0.2784% (0.69   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  65  18.01 +/- 0.47   0.001% *  0.0548% (0.14   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  20.27 +/- 0.76   0.001% *  0.1100% (0.27   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 106  21.72 +/- 1.23   0.000% *  0.1362% (0.34   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  65  19.58 +/- 0.47   0.001% *  0.0710% (0.18   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 102  24.48 +/- 0.86   0.000% *  0.2861% (0.71   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 102  19.10 +/- 0.60   0.001% *  0.0578% (0.14   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 102  25.35 +/- 1.51   0.000% *  0.2641% (0.65   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 102  24.87 +/- 1.05   0.000% *  0.2641% (0.65   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  33  21.83 +/- 1.16   0.000% *  0.0873% (0.22   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  65  27.06 +/- 0.45   0.000% *  0.3245% (0.80   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  24.21 +/- 1.10   0.000% *  0.1439% (0.36   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  21.06 +/- 0.91   0.000% *  0.0699% (0.17   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  26.16 +/- 1.14   0.000% *  0.2264% (0.56   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 106  19.81 +/- 0.87   0.001% *  0.0424% (0.10   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  33  21.13 +/- 0.53   0.000% *  0.0613% (0.15   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  33  24.95 +/- 1.41   0.000% *  0.1569% (0.39   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  27.59 +/- 1.03   0.000% *  0.2133% (0.53   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  29.59 +/- 1.49   0.000% *  0.3036% (0.75   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  29.90 +/- 0.52   0.000% *  0.2621% (0.65   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  31.29 +/- 1.36   0.000% *  0.2861% (0.71   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  33  23.90 +/- 1.42   0.000% *  0.0474% (0.12   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 102  27.95 +/- 0.73   0.000% *  0.0822% (0.20   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  30.55 +/- 0.76   0.000% *  0.1356% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2806 (7.81, 1.38, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.336, support = 3.01, residual support = 21.4:
          HN    ASP- 105 - HG3   LYS+ 106   3.98 +/- 0.17  99.285% * 92.0396% (0.34   3.01  21.37) =  99.991%  kept
          HN    ASP- 105 - HG3   LYS+ 102   9.50 +/- 0.75   0.647% *  1.1856% (0.65   0.02   0.02) =   0.008%
          HN    ASP- 105 - HG3   LYS+  33  17.75 +/- 1.04   0.014% *  1.2581% (0.69   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   LYS+  65  18.98 +/- 0.43   0.009% *  1.4569% (0.80   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  65  16.20 +/- 0.80   0.023% *  0.2807% (0.15   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+ 106  19.55 +/- 0.68   0.008% *  0.4323% (0.24   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  33  25.56 +/- 1.09   0.002% *  0.8895% (0.49   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 106  18.50 +/- 0.84   0.011% *  0.1178% (0.06   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+ 102  26.19 +/- 1.02   0.001% *  0.8383% (0.46   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  65  30.45 +/- 0.47   0.001% *  1.0301% (0.57   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  33  27.24 +/- 0.68   0.001% *  0.2424% (0.13   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 102  29.29 +/- 0.63   0.001% *  0.2285% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2807 (7.29, 4.07, 57.65 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.07, residual support = 112.8:
      O   HN    LYS+  66 - HA    LYS+  66   2.89 +/- 0.05  99.856% * 98.4877% (0.53   5.07 112.80) =  99.999%  kept
          QD    PHE   60 - HA    LYS+  66  10.06 +/- 0.42   0.058% *  0.7132% (0.97   0.02   0.02) =   0.000%
          QE    PHE   59 - HA    LYS+  66   9.53 +/- 0.74   0.086% *  0.1000% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LYS+  66  29.60 +/- 0.36   0.000% *  0.6991% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2808 (7.29, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.01, residual support = 112.8:
      O   HN    LYS+  66 - QB    LYS+  66   2.25 +/- 0.12  99.675% * 98.4705% (0.53   5.01 112.80) =  99.999%  kept
          QD    PHE   60 - QB    LYS+  66   7.68 +/- 0.59   0.071% *  0.7213% (0.97   0.02   0.02) =   0.001%
          QE    PHE   59 - QB    LYS+  66   6.34 +/- 0.78   0.254% *  0.1011% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  66  25.49 +/- 0.48   0.000% *  0.7070% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2809 (7.29, 1.44, 25.66 ppm):
    8 chemical-shift based assignments, quality = 0.526, support = 4.55, residual support = 112.8:
          HN    LYS+  66 - QG    LYS+  66   3.04 +/- 0.45  84.156% * 98.1602% (0.53   4.55 112.80) =  99.991%  kept
          HN    LYS+  66 - HG    LEU   67   5.26 +/- 1.24  14.145% *  0.0332% (0.04   0.02  10.46) =   0.006%
          QD    PHE   60 - QG    LYS+  66   8.58 +/- 0.71   0.170% *  0.7911% (0.97   0.02   0.02) =   0.002%
          QE    PHE   59 - QG    LYS+  66   6.96 +/- 0.95   0.797% *  0.1109% (0.14   0.02   0.02) =   0.001%
          QD    PHE   60 - HG    LEU   67   8.51 +/- 0.98   0.306% *  0.0609% (0.07   0.02   0.02) =   0.000%
          QE    PHE   59 - HG    LEU   67   8.43 +/- 1.38   0.426% *  0.0085% (0.01   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG    LYS+  66  26.46 +/- 0.65   0.000% *  0.7754% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG    LEU   67  26.80 +/- 0.86   0.000% *  0.0597% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 4.83, residual support = 112.8:
          HN    LYS+  66 - QD    LYS+  66   3.65 +/- 0.68  96.459% * 98.1709% (0.53   4.83 112.80) =  99.995%  kept
          QD    PHE   60 - QD    LYS+  66   9.37 +/- 0.90   0.388% *  0.7460% (0.97   0.02   0.02) =   0.003%
          QE    PHE   59 - QD    LYS+  66   7.99 +/- 1.22   1.199% *  0.1046% (0.14   0.02   0.02) =   0.001%
          QE    PHE   59 - HD2   LYS+ 121   7.72 +/- 0.90   1.850% *  0.0130% (0.02   0.02   0.02) =   0.000%
          QD    PHE   60 - HD2   LYS+ 121  12.79 +/- 0.91   0.073% *  0.0928% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  66 - HD2   LYS+ 121  14.80 +/- 0.98   0.030% *  0.0506% (0.07   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD    LYS+  66  27.21 +/- 1.04   0.001% *  0.7312% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HD2   LYS+ 121  30.05 +/- 1.07   0.000% *  0.0909% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2811 (1.45, 1.98, 42.52 ppm):
    13 chemical-shift based assignments, quality = 0.479, support = 3.34, residual support = 62.0:
      O T HB3   LEU   67 - HB2   LEU   67   1.75 +/- 0.00  91.280% * 33.2623% (0.47   3.00  62.04) =  84.494%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.66 +/- 0.24   8.628% * 64.5724% (0.53   5.19  62.04) =  15.505%  kept
          QG    LYS+  66 - HB2   LEU   67   6.41 +/- 0.37   0.041% *  0.2861% (0.61   0.02  10.46) =   0.000%
        T HG    LEU   40 - HB2   LEU   67   6.61 +/- 0.79   0.039% *  0.2861% (0.61   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   LEU   67   8.91 +/- 0.53   0.006% *  0.1667% (0.35   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   LEU   67  10.36 +/- 0.29   0.002% *  0.3306% (0.70   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  13.50 +/- 0.91   0.000% *  0.2861% (0.61   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  11.49 +/- 0.55   0.001% *  0.0952% (0.20   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   LEU   67  11.67 +/- 0.55   0.001% *  0.0763% (0.16   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  14.18 +/- 1.03   0.000% *  0.0952% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   LEU   67  17.83 +/- 1.19   0.000% *  0.3418% (0.72   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   LEU   67  15.69 +/- 0.42   0.000% *  0.0952% (0.20   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   LEU   67  21.14 +/- 1.09   0.000% *  0.1057% (0.22   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 = 3.25, residual support = 62.0:
      O T QD1   LEU   67 - HB2   LEU   67   2.21 +/- 0.12  99.771% * 97.5746% (0.70   3.25  62.04) =  99.999%  kept
        T QD2   LEU   40 - HB2   LEU   67   6.86 +/- 0.54   0.139% *  0.6102% (0.71   0.02   0.02) =   0.001%
          QD2   LEU   71 - HB2   LEU   67   7.37 +/- 0.39   0.083% *  0.1921% (0.22   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   67  12.70 +/- 0.57   0.003% *  0.5583% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   67  13.91 +/- 1.02   0.002% *  0.4985% (0.58   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LEU   67  15.59 +/- 0.67   0.001% *  0.4276% (0.50   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LEU   67  14.06 +/- 0.52   0.002% *  0.1386% (0.16   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 62.0:
          HA    LEU   67 - QD2   LEU   67   2.31 +/- 0.40  99.999% * 98.8214% (0.53   2.76  62.04) = 100.000%  kept
          HA    ASP-  76 - QD2   LEU   67  17.45 +/- 0.62   0.001% *  1.1786% (0.87   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2814 (1.47, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 3.33, residual support = 62.0:
      O   HG    LEU   67 - QD1   LEU   67   2.10 +/- 0.02  98.229% * 96.0218% (0.73   3.33  62.04) =  99.990%  kept
        T HG    LEU   40 - QD1   LEU   67   4.88 +/- 1.19   1.170% *  0.4821% (0.61   0.02   0.02) =   0.006%
          HB3   LEU   40 - QD1   LEU   67   5.61 +/- 1.12   0.519% *  0.7338% (0.92   0.02   0.02) =   0.004%
          QB    ALA  120 - QD1   LEU   67   8.47 +/- 1.48   0.032% *  0.7949% (1.00   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD1   LEU   67  10.86 +/- 1.04   0.006% *  0.7949% (1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD1   LEU   67  10.24 +/- 1.13   0.009% *  0.4821% (0.61   0.02   0.02) =   0.000%
        T HG    LEU   73 - QD1   LEU   67   8.90 +/- 0.80   0.021% *  0.1392% (0.18   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD1   LEU   67  10.49 +/- 1.22   0.010% *  0.2453% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   67  13.87 +/- 1.52   0.001% *  0.1982% (0.25   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   67  12.98 +/- 1.12   0.002% *  0.1076% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2815 (1.99, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.309, support = 3.25, residual support = 62.0:
      O T HB2   LEU   67 - QD1   LEU   67   2.21 +/- 0.12  99.630% * 90.5499% (0.31   3.25  62.04) =  99.996%  kept
          HG2   PRO   68 - QD1   LEU   67   7.33 +/- 0.39   0.081% *  1.6675% (0.92   0.02  18.59) =   0.002%
          QB    GLU-  15 - QD1   LEU   67   9.24 +/- 1.87   0.184% *  0.5023% (0.28   0.02   0.02) =   0.001%
          HB    ILE   19 - QD1   LEU   67   9.75 +/- 1.42   0.033% *  1.5670% (0.87   0.02   0.02) =   0.001%
          HB2   GLN   17 - QD1   LEU   67   9.88 +/- 1.83   0.057% *  0.5023% (0.28   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   LEU   67  11.45 +/- 1.03   0.006% *  1.2409% (0.69   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   LEU   67  12.20 +/- 1.45   0.005% *  1.4465% (0.80   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   LEU   67  12.78 +/- 0.62   0.003% *  1.3117% (0.73   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   LEU   67  14.64 +/- 1.28   0.001% *  0.4022% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   LEU   67  20.42 +/- 1.28   0.000% *  0.8099% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2816 (0.93, 1.46, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 3.22, residual support = 62.0:
      O   QD2   LEU   67 - HG    LEU   67   2.11 +/- 0.02  93.445% * 99.3694% (0.87   3.22  62.04) =  99.986%  kept
        T QD1   LEU   40 - HG    LEU   67   4.53 +/- 1.30   2.814% *  0.4316% (0.61   0.02   0.02) =   0.013%
          QD2   LEU   67 - QG    LYS+  66   4.68 +/- 1.14   1.452% *  0.0475% (0.07   0.02  10.46) =   0.001%
          QG2   ILE  119 - QG    LYS+  66   4.23 +/- 0.63   2.173% *  0.0085% (0.01   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG    LEU   67   7.75 +/- 1.50   0.089% *  0.1098% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG    LYS+  66   8.22 +/- 0.24   0.027% *  0.0332% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 0.265, support = 0.02, residual support = 0.02:
          QD1   LEU  104 - QD1   LEU   67   5.98 +/- 1.38  98.015% * 12.0360% (0.22   0.02   0.02) =  93.182%  kept
          QG2   ILE   89 - QD1   LEU   67  14.96 +/- 0.49   0.938% * 52.9912% (0.98   0.02   0.02) =   3.928%  kept
          QG1   VAL   83 - QD1   LEU   67  15.02 +/- 0.50   1.046% * 34.9728% (0.65   0.02   0.02) =   2.890%  kept
    Distance limit 3.17 A violated in 20 structures by 2.78 A, eliminated.
    Peak unassigned.
 
    Peak 2818 (6.71, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.951, support = 3.93, residual support = 35.1:
        T HZ    PHE   72 - QD1   LEU   67   2.18 +/- 0.59  86.155% * 86.1167% (0.97   4.00  35.09) =  97.495%  kept
        T QD    PHE   72 - QD1   LEU   67   4.08 +/- 0.67  13.841% * 13.7720% (0.41   1.50  35.09) =   2.505%  kept
          QE    PHE   45 - QD1   LEU   67  11.63 +/- 0.37   0.004% *  0.1114% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2819 (7.00, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 35.1:
          QE    PHE   72 - QD1   LEU   67   2.45 +/- 0.32  99.832% * 99.2527% (0.80   4.00  35.09) = 100.000%  kept
          QD    PHE   95 - QD1   LEU   67   7.38 +/- 0.70   0.167% *  0.1913% (0.31   0.02   0.02) =   0.000%
          HN    ALA   47 - QD1   LEU   67  16.24 +/- 0.42   0.002% *  0.5560% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.633, support = 0.0188, residual support = 0.0188:
          HA    ALA  124 - HG    LEU   67  12.96 +/- 1.73  14.230% * 19.7896% (0.84   0.02   0.02) =  59.936%  kept
        T HA    LEU  115 - HG    LEU   67  13.47 +/- 1.69  11.112% *  4.6887% (0.20   0.02   0.02) =  11.090%  kept
          HA    ALA  124 - QG    LYS+  66  11.06 +/- 0.76  32.750% *  1.5234% (0.06   0.02   0.02) =  10.619%  kept
          HA    GLU-  36 - HG    LEU   67  18.81 +/- 1.14   1.406% * 22.4121% (0.95   0.02   0.02) =   6.708%  kept
        T HA    ARG+  54 - HG    LEU   67  18.64 +/- 1.26   1.501% * 17.2042% (0.73   0.02   0.02) =   5.497%  kept
          HA    LEU  115 - QG    LYS+  66  11.14 +/- 0.79  30.538% *  0.3609% (0.02   0.02   0.02) =   2.346%
          HA    ARG+  54 - QG    LYS+  66  14.64 +/- 0.80   6.277% *  1.3244% (0.06   0.02   0.02) =   1.769%
          HA    ASN   28 - HG    LEU   67  19.90 +/- 0.68   0.979% *  5.2748% (0.22   0.02   0.02) =   1.099%
          HA    LYS+  81 - HG    LEU   67  27.57 +/- 0.79   0.134% * 23.4828% (0.99   0.02   0.02) =   0.670%
          HA    GLU-  36 - QG    LYS+  66  22.37 +/- 0.47   0.457% *  1.7253% (0.07   0.02   0.02) =   0.168%
          HA    LYS+  81 - QG    LYS+  66  27.00 +/- 0.65   0.149% *  1.8077% (0.08   0.02   0.02) =   0.057%
          HA    ASN   28 - QG    LYS+  66  22.35 +/- 0.56   0.466% *  0.4061% (0.02   0.02   0.02) =   0.040%
    Distance limit 4.03 A violated in 20 structures by 5.84 A, eliminated.
    Peak unassigned.
 
    Peak 2821 (5.02, 1.46, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.154, support = 4.05, residual support = 62.0:
      O   HA    LEU   67 - HG    LEU   67   3.17 +/- 0.42  97.098% * 96.7429% (0.15   4.05  62.04) =  99.999%  kept
          HA    LEU   67 - QG    LYS+  66   5.94 +/- 0.17   2.897% *  0.0368% (0.01   0.02  10.46) =   0.001%
          HA    ASP-  76 - HG    LEU   67  19.85 +/- 0.97   0.002% *  2.9901% (0.97   0.02   0.02) =   0.000%
          HA    ASP-  76 - QG    LYS+  66  19.09 +/- 0.65   0.002% *  0.2302% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 0.269, support = 0.0196, residual support = 0.0196:
          QD    PHE   60 - HG    LEU   67   8.51 +/- 0.98  36.274% *  5.4059% (0.18   0.02   0.02) =  52.657%  kept
          QE    PHE   95 - HG    LEU   67  10.73 +/- 1.29   9.869% * 11.5851% (0.38   0.02   0.02) =  30.701%  kept
          HE3   TRP   27 - HG    LEU   67  16.65 +/- 0.59   0.615% * 26.7757% (0.87   0.02   0.02) =   4.425%  kept
          QE    PHE   95 - QG    LYS+  66   9.57 +/- 0.67  16.865% *  0.8918% (0.03   0.02   0.02) =   4.039%  kept
          QD    PHE   60 - QG    LYS+  66   8.58 +/- 0.71  33.256% *  0.4162% (0.01   0.02   0.02) =   3.716%  kept
          QD    PHE   55 - HG    LEU   67  17.80 +/- 1.22   0.401% * 24.7171% (0.80   0.02   0.02) =   2.660%  kept
          QD    PHE   55 - QG    LYS+  66  13.56 +/- 0.67   2.083% *  1.9027% (0.06   0.02   0.02) =   1.064%
          HN    THR   23 - HG    LEU   67  21.42 +/- 0.93   0.141% * 10.5293% (0.34   0.02   0.02) =   0.398%
          HE3   TRP   27 - QG    LYS+  66  18.51 +/- 0.58   0.317% *  2.0612% (0.07   0.02   0.02) =   0.176%
          HN    LYS+  81 - HG    LEU   67  26.80 +/- 0.86   0.035% * 13.8391% (0.45   0.02   0.02) =   0.129%
          HN    THR   23 - QG    LYS+  66  22.17 +/- 0.57   0.107% *  0.8106% (0.03   0.02   0.02) =   0.023%
          HN    LYS+  81 - QG    LYS+  66  26.46 +/- 0.65   0.037% *  1.0653% (0.03   0.02   0.02) =   0.011%
    Distance limit 3.79 A violated in 20 structures by 3.26 A, eliminated.
    Peak unassigned.
 
    Peak 2823 (1.99, 1.43, 42.52 ppm):
    10 chemical-shift based assignments, quality = 0.292, support = 3.0, residual support = 62.0:
      O T HB2   LEU   67 - HB3   LEU   67   1.75 +/- 0.00  99.946% * 89.8538% (0.29   3.00  62.04) =  99.999%  kept
          HG2   PRO   68 - HB3   LEU   67   6.55 +/- 0.46   0.043% *  1.7904% (0.87   0.02  18.59) =   0.001%
          QB    GLU-  15 - HB3   LEU   67   9.36 +/- 1.18   0.007% *  0.5393% (0.26   0.02   0.02) =   0.000%
        T HB    ILE   19 - HB3   LEU   67  11.18 +/- 0.66   0.002% *  1.6824% (0.82   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LEU   67  11.28 +/- 0.87   0.002% *  0.5393% (0.26   0.02   0.02) =   0.000%
          HB2   LEU  115 - HB3   LEU   67  15.88 +/- 0.58   0.000% *  1.3323% (0.65   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   67  16.69 +/- 0.86   0.000% *  1.5530% (0.76   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   67  16.76 +/- 0.63   0.000% *  1.4084% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   LEU   67  19.81 +/- 0.75   0.000% *  0.4318% (0.21   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LEU   67  24.16 +/- 0.86   0.000% *  0.8695% (0.42   0.02   0.02) =   0.000%
    Distance limit 2.65 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  19.33 +/- 0.58 100.000% *100.0000% (0.54   0.02   0.02) = 100.000%  kept
    Distance limit 3.68 A violated in 20 structures by 15.65 A, eliminated.
    Peak unassigned.
 
    Peak 2825 (7.36, 1.43, 42.52 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.92, residual support = 62.0:
      O   HN    LEU   67 - HB3   LEU   67   3.57 +/- 0.40  99.833% * 97.7770% (0.54   4.92  62.04) = 100.000%  kept
          QE    PHE   95 - HB3   LEU   67  10.89 +/- 0.86   0.151% *  0.1390% (0.19   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   LEU   67  18.38 +/- 0.97   0.007% *  0.6093% (0.82   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   LEU   67  18.58 +/- 0.72   0.006% *  0.6885% (0.93   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   LEU   67  20.32 +/- 0.58   0.003% *  0.1564% (0.21   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   LEU   67  26.64 +/- 0.73   0.001% *  0.6299% (0.85   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2826 (5.01, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.382, support = 5.08, residual support = 62.0:
      O   HA    LEU   67 - HB2   LEU   67   2.90 +/- 0.16  99.998% * 99.3549% (0.38   5.08  62.04) = 100.000%  kept
          HA    ASP-  76 - HB2   LEU   67  18.42 +/- 0.42   0.002% *  0.6451% (0.63   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2827 (7.00, 1.98, 42.52 ppm):
    3 chemical-shift based assignments, quality = 0.581, support = 2.96, residual support = 35.1:
          QE    PHE   72 - HB2   LEU   67   2.39 +/- 0.41  99.966% * 98.9921% (0.58   2.96  35.09) = 100.000%  kept
          QD    PHE   95 - HB2   LEU   67   9.66 +/- 0.55   0.033% *  0.2581% (0.22   0.02   0.02) =   0.000%
          HN    ALA   47 - HB2   LEU   67  19.73 +/- 0.41   0.000% *  0.7499% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2828 (7.35, 1.98, 42.52 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 5.13, residual support = 62.0:
      O   HN    LEU   67 - HB2   LEU   67   2.73 +/- 0.32  99.932% * 98.4700% (0.70   5.13  62.04) = 100.000%  kept
          QE    PHE   95 - HB2   LEU   67   9.92 +/- 0.82   0.058% *  0.2414% (0.44   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU   67  17.84 +/- 0.49   0.002% *  0.3325% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU   67  15.15 +/- 0.31   0.004% *  0.0697% (0.13   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU   67  19.82 +/- 0.32   0.001% *  0.2575% (0.47   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   LEU   67  18.94 +/- 0.88   0.001% *  0.1637% (0.30   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   LEU   67  17.36 +/- 0.58   0.002% *  0.0886% (0.16   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   LEU   67  25.58 +/- 0.68   0.000% *  0.3766% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 35.1:
        T HZ    PHE   72 - HB2   LEU   67   2.61 +/- 0.47  99.997% * 99.8798% (0.63   2.96  35.09) = 100.000%  kept
          HZ2   TRP   27 - HB2   LEU   67  15.97 +/- 0.55   0.003% *  0.1202% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2832 (3.78, 2.11, 31.99 ppm):
    6 chemical-shift based assignments, quality = 0.553, support = 4.02, residual support = 65.5:
      O T HA    VAL   24 - HB    VAL   24   2.81 +/- 0.20  88.445% * 77.2903% (0.57   3.97  66.49) =  96.544%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.98 +/- 0.16  11.551% * 21.1857% (0.11   5.47  36.77) =   3.456%  kept
          HA    LYS+  38 - HB2   PRO   68  16.08 +/- 1.62   0.003% *  0.5416% (0.79   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  20.47 +/- 0.34   0.001% *  0.4412% (0.64   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  24.07 +/- 0.60   0.000% *  0.4782% (0.70   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  26.96 +/- 0.87   0.000% *  0.0631% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 3.36, residual support = 66.5:
      O T QG1   VAL   24 - HB    VAL   24   2.12 +/- 0.01  99.988% * 95.0482% (0.63   3.36  66.49) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  11.05 +/- 0.30   0.005% *  0.4210% (0.47   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  11.37 +/- 0.17   0.004% *  0.1213% (0.13   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  15.63 +/- 0.82   0.001% *  0.4867% (0.54   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.08 +/- 0.36   0.001% *  0.4563% (0.51   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  14.71 +/- 1.10   0.001% *  0.1489% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  19.70 +/- 0.47   0.000% *  0.5168% (0.57   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  19.64 +/- 0.85   0.000% *  0.3717% (0.41   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  22.00 +/- 0.77   0.000% *  0.6945% (0.77   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  22.91 +/- 1.19   0.000% *  0.7374% (0.82   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  27.08 +/- 1.12   0.000% *  0.3965% (0.44   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  30.24 +/- 1.31   0.000% *  0.6007% (0.67   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2834 (8.80, 2.11, 31.99 ppm):
    8 chemical-shift based assignments, quality = 0.315, support = 5.86, residual support = 32.2:
          HN    GLU-  25 - HB    VAL   24   3.36 +/- 0.35  59.550% * 32.7845% (0.31   5.85  37.07) =  55.854%  kept
      O   HN    ASN   69 - HB2   PRO   68   3.66 +/- 0.59  37.729% * 38.9291% (0.34   6.17  27.33) =  42.019%  kept
          HN    ASN   28 - HB    VAL   24   5.62 +/- 0.16   2.705% * 27.4783% (0.66   2.28  15.19) =   2.127%
          HN    ASP-  44 - HB    VAL   24  14.59 +/- 0.80   0.010% *  0.1218% (0.33   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  16.78 +/- 0.52   0.004% *  0.1495% (0.41   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  22.26 +/- 0.54   0.001% *  0.2963% (0.81   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  25.63 +/- 0.75   0.000% *  0.1377% (0.37   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  25.34 +/- 0.48   0.000% *  0.1028% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2835 (9.23, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 4.68, residual support = 66.5:
      O   HN    VAL   24 - HB    VAL   24   2.12 +/- 0.21 100.000% * 99.4783% (0.33   4.68  66.49) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  25.92 +/- 0.71   0.000% *  0.5217% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 3.13, residual support = 36.8:
      O   HD3   PRO   68 - HG2   PRO   68   2.70 +/- 0.27  99.996% * 96.9659% (0.57   3.13  36.77) = 100.000%  kept
          HB2   PHE   59 - HG2   PRO   68  15.97 +/- 0.39   0.003% *  0.3605% (0.33   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   PRO   68  20.85 +/- 0.66   0.001% *  0.5660% (0.52   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   68  22.30 +/- 1.32   0.000% *  0.7390% (0.69   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   PRO   68  23.28 +/- 0.82   0.000% *  0.7260% (0.67   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG2   PRO   68  26.04 +/- 0.38   0.000% *  0.6425% (0.60   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 2.99, residual support = 36.8:
      O   HD2   PRO   68 - HG2   PRO   68   2.47 +/- 0.26  99.983% * 98.8113% (0.63   2.99  36.77) = 100.000%  kept
          HA    ALA   61 - HG2   PRO   68  11.45 +/- 1.20   0.015% *  0.5471% (0.52   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   68  17.11 +/- 2.19   0.001% *  0.1105% (0.11   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   PRO   68  18.11 +/- 0.72   0.001% *  0.0969% (0.09   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   PRO   68  25.27 +/- 0.62   0.000% *  0.4342% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.77, support = 4.76, residual support = 50.5:
      O   HD3   PRO   68 - HG3   PRO   68   2.48 +/- 0.28  69.647% * 75.1040% (0.84   4.78  36.77) =  88.555%  kept
      O T HD2   ARG+  54 - HG2   ARG+  54   2.89 +/- 0.16  29.438% * 22.9612% (0.27   4.59 156.80) =  11.443%  kept
          HB3   CYS   53 - HG2   ARG+  54   5.83 +/- 0.63   0.635% *  0.0983% (0.26   0.02  29.47) =   0.001%
          QB    PHE   55 - HG2   ARG+  54   6.40 +/- 0.05   0.255% *  0.0767% (0.20   0.02   2.72) =   0.000%
          HD3   PRO   93 - HG2   ARG+  54  11.15 +/- 1.04   0.012% *  0.0870% (0.23   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  10.74 +/- 0.42   0.012% *  0.0488% (0.13   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  16.81 +/- 0.26   0.001% *  0.1830% (0.49   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  21.74 +/- 0.26   0.000% *  0.2873% (0.76   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  23.49 +/- 0.99   0.000% *  0.3751% (1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  24.19 +/- 0.63   0.000% *  0.3685% (0.98   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  26.79 +/- 0.40   0.000% *  0.3261% (0.87   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  22.29 +/- 0.88   0.000% *  0.0838% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2839 (3.75, 1.86, 27.31 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 4.63, residual support = 36.8:
      O   HD2   PRO   68 - HG3   PRO   68   2.72 +/- 0.28  99.662% * 98.9120% (0.92   4.63  36.77) = 100.000%  kept
          HD3   PRO   58 - HG2   ARG+  54   7.44 +/- 0.45   0.297% *  0.0167% (0.04   0.02   0.02) =   0.000%
          HA    ALA   61 - HG3   PRO   68  12.49 +/- 0.69   0.013% *  0.3539% (0.76   0.02   0.02) =   0.000%
          HA    ALA   61 - HG2   ARG+  54  11.39 +/- 0.73   0.023% *  0.0944% (0.20   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG3   PRO   68  16.32 +/- 1.49   0.004% *  0.0714% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG3   PRO   68  19.13 +/- 0.17   0.001% *  0.0627% (0.14   0.02   0.02) =   0.000%
          HD2   PRO   68 - HG2   ARG+  54  21.95 +/- 0.96   0.000% *  0.1141% (0.25   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   PRO   68  25.39 +/- 0.39   0.000% *  0.2808% (0.61   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   ARG+  54  22.64 +/- 1.20   0.000% *  0.0749% (0.16   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG2   ARG+  54  29.82 +/- 1.09   0.000% *  0.0191% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 5.15, residual support = 36.8:
      O T HD3   PRO   68 - HD2   PRO   68   1.75 +/- 0.00  98.855% * 98.0962% (0.98   5.15  36.77) = 100.000%  kept
          HB2   PHE   59 - HD3   PRO   58   3.90 +/- 0.17   0.857% *  0.0271% (0.07   0.02  37.72) =   0.000%
          QB    PHE   55 - HD3   PRO   58   4.78 +/- 0.18   0.246% *  0.0293% (0.08   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD3   PRO   58   7.15 +/- 0.87   0.029% *  0.0224% (0.06   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD3   PRO   58   7.98 +/- 0.39   0.012% *  0.0245% (0.06   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   68  14.50 +/- 0.57   0.000% *  0.3588% (0.92   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD3   PRO   58  10.85 +/- 0.50   0.002% *  0.0283% (0.07   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   68  19.79 +/- 0.61   0.000% *  0.3878% (1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   68  21.69 +/- 1.27   0.000% *  0.2970% (0.76   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD2   PRO   68  22.16 +/- 0.91   0.000% *  0.3247% (0.84   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD2   PRO   68  24.58 +/- 0.41   0.000% *  0.3751% (0.97   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD3   PRO   58  17.27 +/- 0.64   0.000% *  0.0288% (0.07   0.02   0.02) =   0.000%
    Distance limit 2.62 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 = 5.15, residual support = 36.8:
      O T HD2   PRO   68 - HD3   PRO   68   1.75 +/- 0.00  99.996% * 99.1098% (0.92   5.15  36.77) = 100.000%  kept
          HA    ALA   61 - HD3   PRO   68  11.03 +/- 0.71   0.002% *  0.3187% (0.76   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   93  10.85 +/- 0.50   0.002% *  0.0104% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   68  15.78 +/- 1.47   0.000% *  0.0643% (0.15   0.02   0.02) =   0.000%
          HA    ALA   61 - HD3   PRO   93  16.12 +/- 0.36   0.000% *  0.0585% (0.14   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   68  17.27 +/- 0.64   0.000% *  0.0564% (0.14   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   68  24.43 +/- 0.38   0.000% *  0.2529% (0.61   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   93  18.94 +/- 0.55   0.000% *  0.0464% (0.11   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD3   PRO   93  24.58 +/- 0.41   0.000% *  0.0707% (0.17   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   93  26.94 +/- 0.39   0.000% *  0.0118% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2844 (5.01, 3.33, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.07, residual support = 18.6:
      O   HA    LEU   67 - HD3   PRO   68   2.28 +/- 0.16  99.974% * 99.1651% (0.53   5.07  18.59) = 100.000%  kept
          HA    ASP-  76 - HD3   PRO   93   9.24 +/- 0.35   0.026% *  0.1184% (0.16   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   68  22.45 +/- 0.32   0.000% *  0.6448% (0.87   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   93  23.22 +/- 0.38   0.000% *  0.0718% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2845 (5.01, 3.75, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 18.6:
      O   HA    LEU   67 - HD2   PRO   68   2.38 +/- 0.12  99.995% * 99.1907% (0.53   4.53  18.59) = 100.000%  kept
          HA    ASP-  76 - HD3   PRO   58  13.43 +/- 0.42   0.003% *  0.0545% (0.07   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD2   PRO   68  22.16 +/- 0.57   0.000% *  0.7218% (0.87   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   58  16.06 +/- 0.20   0.001% *  0.0330% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 59.8:
      O   HD21  ASN   69 - HB2   ASN   69   2.44 +/- 0.11  99.981% * 97.7644% (0.65   3.63  59.79) = 100.000%  kept
          HN    GLN   17 - HB2   ASN   69  10.43 +/- 0.57   0.017% *  0.6950% (0.84   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   ASN   69  16.79 +/- 0.58   0.001% *  0.2568% (0.31   0.02   0.02) =   0.000%
          HN    TRP   87 - HB2   ASN   69  31.18 +/- 0.79   0.000% *  0.5716% (0.69   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   ASN   69  31.60 +/- 1.07   0.000% *  0.5047% (0.61   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   ASN   69  30.31 +/- 0.85   0.000% *  0.2075% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 5.45, residual support = 59.8:
      O   HN    ASN   69 - HB2   ASN   69   3.30 +/- 0.34  99.981% * 99.7854% (0.97   5.45  59.79) = 100.000%  kept
          HN    GLY  101 - HB2   ASN   69  14.70 +/- 0.85   0.017% *  0.0586% (0.15   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   69  21.06 +/- 0.73   0.002% *  0.1561% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2848 (7.69, 2.81, 37.49 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.6, residual support = 59.8:
      O   HD21  ASN   69 - HB3   ASN   69   3.55 +/- 0.01  99.826% * 98.7942% (0.99   3.60  59.79) =  99.999%  kept
          HN    GLN   17 - HB3   ASN   69  10.35 +/- 0.64   0.174% *  0.5432% (0.98   0.02   0.02) =   0.001%
          HN    TRP   87 - HB3   ASN   69  31.15 +/- 0.86   0.000% *  0.5529% (1.00   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   ASN   69  31.58 +/- 1.19   0.000% *  0.1097% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 4.94, residual support = 59.8:
      O   HN    ASN   69 - HB3   ASN   69   3.24 +/- 0.48  99.979% * 99.7632% (0.97   4.94  59.79) = 100.000%  kept
          HN    GLY  101 - HB3   ASN   69  14.77 +/- 0.96   0.019% *  0.0646% (0.15   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASN   69  21.07 +/- 0.91   0.002% *  0.1722% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2850 (7.71, 4.68, 53.57 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.07, residual support = 59.8:
          HD21  ASN   69 - HA    ASN   69   3.67 +/- 0.09  99.062% * 89.7868% (0.20   3.07  59.79) =  99.989%  kept
          HN    GLN   17 - HA    ASN   69   8.19 +/- 0.59   0.915% *  1.0077% (0.34   0.02   0.02) =   0.010%
          HN    ALA   61 - HA    ASN   69  15.51 +/- 0.26   0.018% *  2.3656% (0.80   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ASN   69  19.63 +/- 0.36   0.004% *  1.1088% (0.38   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ASN   69  29.13 +/- 0.65   0.000% *  2.1452% (0.73   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ASN   69  30.83 +/- 0.87   0.000% *  2.9281% (0.99   0.02   0.02) =   0.000%
          HN    TRP   87 - HA    ASN   69  30.08 +/- 0.54   0.000% *  0.6577% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2851 (6.35, 4.68, 53.57 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ3   TRP   27 - HA    ASN   69  15.88 +/- 0.27 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.61 A violated in 20 structures by 12.27 A, eliminated.
    Peak unassigned.
 
    Peak 2852 (1.31, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.309, support = 0.0196, residual support = 0.0196:
          QG2   THR   77 - HA    SER   48   6.99 +/- 0.36  34.828% *  3.9121% (0.23   0.02   0.02) =  33.011%  kept
          HG2   LYS+  99 - HA    VAL   70   7.96 +/- 0.44  16.103% *  7.1226% (0.41   0.02   0.02) =  27.788%  kept
          QG2   THR   23 - HB2   SER   82   6.95 +/- 0.69  35.229% *  1.8692% (0.11   0.02   0.02) =  15.954%  kept
          HG2   LYS+  38 - HA    VAL   70  11.02 +/- 1.44   4.841% *  9.1152% (0.53   0.02   0.02) =  10.691%  kept
        T QB    ALA   88 - HB2   SER   82  10.48 +/- 0.22   3.010% *  7.2826% (0.42   0.02   0.02) =   5.311%  kept
          QG2   THR   77 - HB2   SER   82  10.76 +/- 0.36   2.552% *  8.3214% (0.48   0.02   0.02) =   5.145%  kept
          QG2   THR   77 - HA    VAL   70  17.72 +/- 0.31   0.127% * 17.1719% (0.99   0.02   0.02) =   0.529%
        T QB    ALA   88 - HA    SER   48  13.81 +/- 0.86   0.605% *  3.4238% (0.20   0.02   0.02) =   0.502%
          HB2   LEU   31 - HA    VAL   70  13.71 +/- 0.42   0.580% *  2.6732% (0.15   0.02   0.02) =   0.376%
          HB2   LEU   31 - HB2   SER   82  13.04 +/- 0.50   0.837% *  1.2954% (0.07   0.02   0.02) =   0.263%
          QG2   THR   23 - HA    SER   48  12.68 +/- 0.52   0.993% *  0.8787% (0.05   0.02   0.02) =   0.211%
          QG2   THR   23 - HA    VAL   70  18.72 +/- 0.25   0.090% *  3.8572% (0.22   0.02   0.02) =   0.084%
          QB    ALA   88 - HA    VAL   70  25.26 +/- 0.63   0.015% * 15.0284% (0.87   0.02   0.02) =   0.056%
          HG2   LYS+  38 - HB2   SER   82  24.32 +/- 0.53   0.019% *  4.4171% (0.25   0.02   0.02) =   0.021%
          HG2   LYS+ 111 - HA    VAL   70  23.74 +/- 0.39   0.022% *  3.4286% (0.20   0.02   0.02) =   0.018%
          HG2   LYS+ 111 - HA    SER   48  19.35 +/- 0.59   0.075% *  0.7811% (0.05   0.02   0.02) =   0.014%
          HG2   LYS+  99 - HB2   SER   82  25.32 +/- 0.83   0.015% *  3.4516% (0.20   0.02   0.02) =   0.013%
          HB2   LEU   31 - HA    SER   48  22.08 +/- 0.48   0.034% *  0.6090% (0.04   0.02   0.02) =   0.005%
          HG2   LYS+ 111 - HB2   SER   82  26.48 +/- 0.86   0.012% *  1.6615% (0.10   0.02   0.02) =   0.005%
          HG2   LYS+  99 - HA    SER   48  28.18 +/- 0.51   0.008% *  1.6227% (0.09   0.02   0.02) =   0.003%
          HG2   LYS+  38 - HA    SER   48  30.64 +/- 1.29   0.005% *  2.0766% (0.12   0.02   0.02) =   0.002%
    Distance limit 3.53 A violated in 20 structures by 2.28 A, eliminated.
    Peak unassigned.
 
    Peak 2853 (8.14, 4.01, 61.79 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 4.88, residual support = 31.5:
      O   HN    LEU   71 - HA    VAL   70   2.28 +/- 0.01  99.975% * 99.0121% (0.87   4.88  31.48) = 100.000%  kept
          HN    THR   26 - HB2   SER   82   9.39 +/- 0.66   0.023% *  0.0566% (0.12   0.02   0.02) =   0.000%
          HN    THR   26 - HA    VAL   70  18.99 +/- 0.29   0.000% *  0.1167% (0.25   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    VAL   70  22.29 +/- 0.50   0.000% *  0.2279% (0.49   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   SER   82  22.13 +/- 0.57   0.000% *  0.1968% (0.42   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    VAL   70  19.80 +/- 0.49   0.000% *  0.0634% (0.14   0.02   0.02) =   0.000%
          HN    THR   26 - HA    SER   48  18.12 +/- 0.57   0.000% *  0.0266% (0.06   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    SER   48  22.39 +/- 0.65   0.000% *  0.0925% (0.20   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    SER   48  20.74 +/- 0.65   0.000% *  0.0519% (0.11   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    SER   48  20.67 +/- 0.98   0.000% *  0.0144% (0.03   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   SER   82  29.06 +/- 0.75   0.000% *  0.1104% (0.24   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   SER   82  29.77 +/- 0.68   0.000% *  0.0307% (0.07   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 0.692, support = 3.75, residual support = 41.7:
        T HZ    PHE   72 - HB    VAL   70   3.73 +/- 0.54  33.355% * 71.0825% (1.00   3.30  41.74) =  55.594%  kept
          QD    PHE   72 - HB    VAL   70   3.28 +/- 0.36  65.933% * 28.7230% (0.31   4.31  41.74) =  44.405%  kept
          QD    PHE   72 - QG    GLN   17   7.00 +/- 0.43   0.624% *  0.0248% (0.06   0.02   0.02) =   0.000%
        T HZ    PHE   72 - QG    GLN   17   9.98 +/- 0.37   0.071% *  0.0801% (0.19   0.02   0.02) =   0.000%
          QE    PHE   45 - HB    VAL   70  13.93 +/- 0.32   0.010% *  0.0757% (0.18   0.02   0.02) =   0.000%
          QE    PHE   45 - QG    GLN   17  15.03 +/- 0.77   0.007% *  0.0141% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2855 (7.00, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 4.18, residual support = 41.7:
          QE    PHE   72 - HB    VAL   70   1.98 +/- 0.26  99.957% * 98.8904% (0.73   4.18  41.74) = 100.000%  kept
          QE    PHE   72 - QG    GLN   17   8.24 +/- 0.35   0.033% *  0.0880% (0.13   0.02   0.02) =   0.000%
          QD    PHE   95 - HB    VAL   70  10.25 +/- 0.43   0.007% *  0.2447% (0.38   0.02   0.02) =   0.000%
          QD    PHE   95 - QG    GLN   17  12.39 +/- 0.50   0.003% *  0.0455% (0.07   0.02   0.02) =   0.000%
          HN    ALA   47 - HB    VAL   70  20.24 +/- 0.27   0.000% *  0.6169% (0.95   0.02   0.02) =   0.000%
          HN    ALA   47 - QG    GLN   17  16.60 +/- 0.78   0.000% *  0.1146% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2856 (7.99, 2.20, 34.17 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 81.7:
      O   HN    VAL   70 - HB    VAL   70   2.52 +/- 0.12  99.934% * 99.6928% (0.76   4.31  81.72) = 100.000%  kept
          HN    VAL   70 - QG    GLN   17   9.09 +/- 0.85   0.065% *  0.0859% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB    VAL   70  21.65 +/- 0.24   0.000% *  0.1867% (0.31   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG    GLN   17  16.98 +/- 0.85   0.001% *  0.0347% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2857 (8.01, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 4.85, residual support = 81.7:
          HN    VAL   70 - QG1   VAL   70   2.28 +/- 0.29  99.998% * 98.2862% (0.28   4.85  81.72) = 100.000%  kept
          HN    THR   94 - QG1   VAL   70  14.76 +/- 0.19   0.002% *  0.5469% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG1   VAL   70  19.78 +/- 0.18   0.000% *  1.1669% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 1.27, residual support = 1.25:
          HN    VAL   42 - QG2   VAL   70   3.16 +/- 0.19  96.861% * 96.2192% (0.52   1.27   1.25) =  99.943%  kept
          HN    LEU   73 - QG2   VAL   70   5.89 +/- 0.17   2.459% *  1.5173% (0.52   0.02   0.02) =   0.040%
          HN    ILE   19 - QG2   VAL   70   7.33 +/- 0.28   0.679% *  2.2635% (0.77   0.02   0.02) =   0.016%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2860 (1.46, 0.19, 63.87 ppm):
    11 chemical-shift based assignments, quality = 0.716, support = 4.03, residual support = 33.0:
        T HG    LEU   40 - QG2   VAL   70   2.40 +/- 0.69  62.632% * 69.7144% (0.80   4.04  33.04) =  82.329%  kept
        T HB3   LEU   40 - QG2   VAL   70   2.84 +/- 0.72  33.036% * 28.3501% (0.33   3.99  33.04) =  17.659%  kept
          HB3   LEU   67 - QG2   VAL   70   3.44 +/- 0.28   3.409% *  0.0962% (0.22   0.02   0.35) =   0.006%
          HG    LEU   67 - QG2   VAL   70   4.58 +/- 0.67   0.809% *  0.3428% (0.79   0.02   0.35) =   0.005%
        T HG    LEU   73 - QG2   VAL   70   6.26 +/- 0.19   0.086% *  0.2238% (0.52   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   VAL   70   8.47 +/- 0.21   0.014% *  0.1551% (0.36   0.02   0.02) =   0.000%
          QB    ALA  120 - QG2   VAL   70  10.87 +/- 0.33   0.003% *  0.2238% (0.52   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   70  11.53 +/- 0.72   0.002% *  0.2644% (0.61   0.02   0.02) =   0.000%
        T HB3   LEU  115 - QG2   VAL   70  12.28 +/- 0.81   0.002% *  0.3451% (0.80   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   VAL   70   9.54 +/- 0.27   0.007% *  0.0606% (0.14   0.02   0.02) =   0.000%
        T HG    LEU  115 - QG2   VAL   70  13.34 +/- 0.84   0.001% *  0.2238% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.617, support = 4.38, residual support = 41.7:
        T QD    PHE   72 - QG2   VAL   70   2.79 +/- 0.45  76.847% * 54.8119% (0.64   4.37  41.74) =  80.192%  kept
        T HZ    PHE   72 - QG2   VAL   70   3.60 +/- 0.39  23.121% * 44.9982% (0.52   4.44  41.74) =  19.808%  kept
          QE    PHE   45 - QG2   VAL   70  10.38 +/- 0.25   0.031% *  0.1900% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2862 (6.99, 0.19, 63.87 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.44, residual support = 41.7:
          QE    PHE   72 - QG2   VAL   70   2.19 +/- 0.43  99.997% * 99.6110% (0.80   4.44  41.74) = 100.000%  kept
          HD22  ASN   28 - QG2   VAL   70  14.85 +/- 0.33   0.002% *  0.1530% (0.27   0.02   0.02) =   0.000%
          HN    ALA   47 - QG2   VAL   70  16.51 +/- 0.31   0.001% *  0.2360% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2863 (8.16, 0.19, 63.87 ppm):
    5 chemical-shift based assignments, quality = 0.757, support = 6.14, residual support = 31.5:
          HN    LEU   71 - QG2   VAL   70   2.24 +/- 0.11  99.981% * 99.3546% (0.76   6.14  31.48) = 100.000%  kept
          HN    PHE   60 - QG2   VAL   70  10.08 +/- 0.32   0.012% *  0.0463% (0.11   0.02   0.02) =   0.000%
          HN    THR  118 - QG2   VAL   70  12.17 +/- 0.38   0.004% *  0.0952% (0.22   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   VAL   70  14.28 +/- 0.48   0.002% *  0.1801% (0.42   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   VAL   70  16.20 +/- 0.46   0.001% *  0.3238% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2864 (6.70, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.723, support = 2.44, residual support = 41.7:
        T HZ    PHE   72 - QG1   VAL   70   4.12 +/- 0.41  64.171% * 36.1501% (0.65   2.02  41.74) =  50.538%  kept
          QD    PHE   72 - QG1   VAL   70   4.63 +/- 0.22  35.746% * 63.5151% (0.80   2.87  41.74) =  49.461%  kept
          QE    PHE   45 - QG1   VAL   70  12.61 +/- 0.25   0.083% *  0.3348% (0.61   0.02   0.02) =   0.001%
    Distance limit 3.84 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2865 (4.88, 1.80, 44.15 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 0.75, residual support = 2.75:
          HA    VAL   41 - HB2   LEU   71   3.48 +/- 0.19  99.956% * 95.8609% (0.92   0.75   2.75) =  99.999%  kept
          HA    HIS  122 - HB2   LEU   71  14.41 +/- 0.52   0.021% *  2.6725% (0.97   0.02   0.02) =   0.001%
          HA    PHE   45 - HB2   LEU   71  14.40 +/- 0.40   0.021% *  1.0393% (0.38   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   LEU   71  21.67 +/- 0.52   0.002% *  0.4273% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2866 (8.16, 1.80, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.66, residual support = 126.4:
      O   HN    LEU   71 - HB2   LEU   71   2.65 +/- 0.28  99.994% * 99.3010% (0.95   5.66 126.38) = 100.000%  kept
          HN    PHE   60 - HB2   LEU   71  14.74 +/- 0.29   0.004% *  0.0502% (0.14   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   LEU   71  23.23 +/- 0.46   0.000% *  0.3507% (0.95   0.02   0.02) =   0.000%
          HN    THR  118 - HB2   LEU   71  19.11 +/- 0.44   0.001% *  0.1031% (0.28   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   LEU   71  21.32 +/- 0.50   0.000% *  0.1951% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2867 (8.16, 1.20, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.32, residual support = 126.4:
      O   HN    LEU   71 - HB3   LEU   71   2.71 +/- 0.53  99.991% * 99.2567% (0.95   5.32 126.38) = 100.000%  kept
          HN    PHE   60 - HB3   LEU   71  15.15 +/- 0.49   0.007% *  0.0534% (0.14   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   71  23.91 +/- 0.57   0.000% *  0.3729% (0.95   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   71  21.85 +/- 0.53   0.001% *  0.2074% (0.53   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   71  19.69 +/- 0.43   0.001% *  0.1096% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2870 (1.81, 1.24, 27.63 ppm):
    20 chemical-shift based assignments, quality = 0.965, support = 4.16, residual support = 126.4:
      O   HB2   LEU   71 - HG    LEU   71   2.45 +/- 0.08  98.906% * 97.0480% (0.97   4.16 126.38) =  99.999%  kept
          HB    VAL   41 - HG    LEU   71   6.84 +/- 1.15   0.400% *  0.2356% (0.49   0.02   2.75) =   0.001%
          HB2   LEU   71 - HG13  ILE   19   7.08 +/- 0.90   0.251% *  0.0670% (0.14   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG13  ILE   19   6.78 +/- 1.00   0.364% *  0.0338% (0.07   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG    LEU   71  10.27 +/- 1.39   0.028% *  0.2356% (0.49   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   71  13.06 +/- 0.62   0.005% *  0.4744% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG    LEU   71  12.82 +/- 0.61   0.005% *  0.3325% (0.69   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG    LEU   71  14.90 +/- 0.75   0.002% *  0.4840% (1.00   0.02   0.02) =   0.000%
          HB    VAL   41 - HG13  ILE   19  10.52 +/- 1.48   0.025% *  0.0338% (0.07   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE   19  12.41 +/- 0.62   0.006% *  0.0680% (0.14   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   71  14.92 +/- 0.52   0.002% *  0.1651% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE   19  13.88 +/- 0.64   0.003% *  0.0477% (0.10   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   71  22.36 +/- 1.35   0.000% *  0.4468% (0.92   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE   19  18.95 +/- 1.05   0.001% *  0.0694% (0.14   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   71  19.16 +/- 1.14   0.000% *  0.0747% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE   19  20.95 +/- 0.94   0.000% *  0.0640% (0.13   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG13  ILE   19  18.06 +/- 1.11   0.001% *  0.0237% (0.05   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   71  24.65 +/- 1.15   0.000% *  0.0747% (0.15   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE   19  21.17 +/- 0.95   0.000% *  0.0107% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE   19  22.67 +/- 0.79   0.000% *  0.0107% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2873 (8.14, 0.96, 23.45 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.8, residual support = 126.4:
          HN    LEU   71 - QD2   LEU   71   3.77 +/- 0.13  99.884% * 99.6548% (0.87   5.80 126.38) = 100.000%  kept
          HN    THR   26 - QD2   LEU   71  11.91 +/- 0.36   0.106% *  0.0988% (0.25   0.02   0.02) =   0.000%
          HN    GLU- 114 - QD2   LEU   71  20.87 +/- 0.43   0.004% *  0.1928% (0.49   0.02   0.02) =   0.000%
          HN    GLN  116 - QD2   LEU   71  18.93 +/- 0.41   0.006% *  0.0536% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2874 (9.37, 0.96, 23.45 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.27, residual support = 19.1:
          HN    PHE   72 - QD2   LEU   71   3.06 +/- 0.30  99.978% * 99.5652% (0.73   5.27  19.13) = 100.000%  kept
          HN    LEU  104 - QD2   LEU   71  12.69 +/- 0.20   0.022% *  0.4348% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2875 (8.96, 5.27, 56.60 ppm):
    4 chemical-shift based assignments, quality = 0.612, support = 4.63, residual support = 28.7:
      O   HN    LEU   73 - HA    PHE   72   2.30 +/- 0.03  62.752% * 79.8309% (0.61   5.11  31.98) =  87.474%  kept
          HN    VAL   42 - HA    PHE   72   2.54 +/- 0.22  36.249% * 19.7882% (0.61   1.27   6.13) =  12.525%  kept
          HN    ILE   19 - HA    PHE   72   4.58 +/- 0.15   0.997% *  0.0684% (0.13   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HA    PHE   72  13.67 +/- 0.25   0.001% *  0.3126% (0.61   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2876 (9.35, 5.27, 56.60 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 5.12, residual support = 83.8:
      O   HN    PHE   72 - HA    PHE   72   2.92 +/- 0.01  99.967% * 99.9163% (0.71   5.12  83.76) = 100.000%  kept
          HN    LEU  104 - HA    PHE   72  11.11 +/- 0.28   0.033% *  0.0837% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.372, support = 2.51, residual support = 32.0:
          HG    LEU   73 - HA    PHE   72   3.73 +/- 0.11  94.264% * 89.0575% (0.37   2.51  31.98) =  99.925%  kept
          HB3   LEU   67 - HA    PHE   72   7.25 +/- 0.51   2.007% *  1.2635% (0.66   0.02  35.09) =   0.030%
          HG12  ILE   19 - HA    PHE   72   7.33 +/- 0.22   1.687% *  1.4057% (0.74   0.02   0.02) =   0.028%
          HB3   LYS+  74 - HA    PHE   72   8.15 +/- 0.29   0.901% *  0.5988% (0.31   0.02   0.02) =   0.006%
          QB    ALA   61 - HA    PHE   72   9.57 +/- 0.23   0.340% *  1.4057% (0.74   0.02   0.02) =   0.006%
          QB    LEU   98 - HA    PHE   72   8.82 +/- 0.42   0.566% *  0.2883% (0.15   0.02   0.02) =   0.002%
          QG    LYS+  66 - HA    PHE   72  11.46 +/- 0.34   0.115% *  1.0005% (0.52   0.02   0.02) =   0.001%
          HG    LEU   80 - HA    PHE   72  14.47 +/- 1.04   0.032% *  1.4533% (0.76   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    PHE   72  14.22 +/- 0.29   0.031% *  1.4437% (0.76   0.02   0.02) =   0.001%
          HB2   LEU   80 - HA    PHE   72  15.01 +/- 0.32   0.023% *  0.8834% (0.46   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   72  15.31 +/- 0.86   0.021% *  0.6530% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    PHE   72  16.30 +/- 0.82   0.014% *  0.5467% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 6 structures by 0.22 A, kept.
 
    Peak 2878 (0.78, 2.83, 40.30 ppm):
    6 chemical-shift based assignments, quality = 0.799, support = 0.0195, residual support = 31.2:
          QD2   LEU   73 - HB2   PHE   72   4.10 +/- 0.12  91.109% * 25.5964% (0.82   0.02  31.98) =  97.650%  kept
          QG1   VAL   43 - HB2   PHE   72   6.45 +/- 0.65   7.265% *  5.1678% (0.17   0.02   0.02) =   1.572%
          QG1   VAL   41 - HB2   PHE   72   8.31 +/- 0.26   1.339% *  8.9075% (0.28   0.02   0.02) =   0.499%
          QD1   ILE   56 - HB2   PHE   72  12.35 +/- 0.76   0.127% * 25.2013% (0.81   0.02   0.02) =   0.134%
          HG    LEU   31 - HB2   PHE   72  12.37 +/- 0.68   0.134% * 23.4194% (0.75   0.02   0.02) =   0.131%
          HG3   LYS+ 121 - HB2   PHE   72  16.10 +/- 0.66   0.026% * 11.7075% (0.37   0.02   0.02) =   0.013%
    Distance limit 3.72 A violated in 13 structures by 0.37 A, eliminated.
    Peak unassigned.
 
    Peak 2879 (0.40, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.57, residual support = 40.3:
        T QB    ALA   64 - HB2   PHE   72   3.07 +/- 0.32  99.988% * 99.8638% (0.84   2.57  40.29) = 100.000%  kept
          QB    ALA   47 - HB2   PHE   72  14.55 +/- 0.80   0.012% *  0.1362% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2880 (0.77, 2.28, 40.30 ppm):
    7 chemical-shift based assignments, quality = 0.676, support = 5.03, residual support = 28.9:
          QD2   LEU   73 - HB3   PHE   72   4.38 +/- 0.19  29.105% * 93.1401% (0.72   5.62  31.98) =  87.892%  kept
          QG2   VAL   18 - HB3   PHE   72   3.74 +/- 0.55  66.622% *  5.5900% (0.33   0.75   6.69) =  12.075%  kept
          QG1   VAL   43 - HB3   PHE   72   6.50 +/- 0.72   3.128% *  0.2409% (0.53   0.02   0.02) =   0.024%
          QG1   VAL   41 - HB3   PHE   72   8.36 +/- 0.24   0.632% *  0.3180% (0.69   0.02   0.02) =   0.007%
          QG2   THR   46 - HB3   PHE   72   9.12 +/- 0.67   0.389% *  0.1104% (0.24   0.02   0.02) =   0.001%
          HG    LEU   31 - HB3   PHE   72  12.42 +/- 0.82   0.063% *  0.3757% (0.82   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB3   PHE   72  12.32 +/- 0.55   0.060% *  0.2249% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 2 structures by 0.11 A, kept.
 
    Peak 2881 (0.41, 2.28, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.75, residual support = 40.3:
        T QB    ALA   64 - HB3   PHE   72   3.06 +/- 0.35  99.958% * 99.7773% (0.63   2.75  40.29) = 100.000%  kept
          QD1   LEU  115 - HB3   PHE   72  11.84 +/- 0.80   0.042% *  0.2227% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2882 (4.02, 2.83, 40.30 ppm):
    9 chemical-shift based assignments, quality = 0.473, support = 1.5, residual support = 6.69:
        T HA    VAL   18 - HB2   PHE   72   2.33 +/- 0.49  99.757% * 89.6965% (0.47   1.50   6.69) =  99.996%  kept
          HA    VAL   70 - HB2   PHE   72   7.73 +/- 0.49   0.107% *  2.0706% (0.82   0.02  41.74) =   0.002%
          HA1   GLY   16 - HB2   PHE   72   7.51 +/- 0.70   0.120% *  0.5873% (0.23   0.02   0.02) =   0.001%
          HA    LYS+  33 - HB2   PHE   72  13.68 +/- 0.51   0.004% *  1.6144% (0.64   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   PHE   72  13.33 +/- 0.73   0.005% *  1.2812% (0.51   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   PHE   72  16.01 +/- 0.73   0.002% *  2.0706% (0.82   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PHE   72  15.22 +/- 0.44   0.002% *  1.2812% (0.51   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   PHE   72  16.45 +/- 0.95   0.002% *  0.3699% (0.15   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PHE   72  20.28 +/- 0.71   0.000% *  1.0282% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2883 (4.03, 2.28, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.152, support = 2.33, residual support = 6.68:
          HA    VAL   18 - HB3   PHE   72   2.45 +/- 0.35  99.625% * 85.1213% (0.15   2.33   6.69) =  99.987%  kept
          HA1   GLY   16 - HB3   PHE   72   7.41 +/- 1.17   0.235% *  3.0338% (0.63   0.02   0.02) =   0.008%
          HA    VAL   70 - HB3   PHE   72   7.71 +/- 0.56   0.126% *  2.5340% (0.53   0.02  41.74) =   0.004%
          HB2   SER   37 - HB3   PHE   72  13.34 +/- 0.68   0.005% *  4.0952% (0.85   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   PHE   72  15.96 +/- 0.72   0.002% *  2.5340% (0.53   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB3   PHE   72  13.75 +/- 0.50   0.004% *  1.2895% (0.27   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB3   PHE   72  15.32 +/- 0.35   0.002% *  0.8268% (0.17   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PHE   72  20.35 +/- 0.89   0.000% *  0.5654% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2884 (6.69, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 4.65, residual support = 83.8:
      O T QD    PHE   72 - HB3   PHE   72   2.46 +/- 0.18  99.383% * 99.4718% (0.87   4.65  83.76) =  99.999%  kept
          HZ    PHE   72 - HB3   PHE   72   5.84 +/- 0.00   0.604% *  0.1324% (0.27   0.02  83.76) =   0.001%
        T QE    PHE   45 - HB3   PHE   72  10.98 +/- 0.76   0.013% *  0.3959% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2885 (6.69, 2.83, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.833, support = 3.71, residual support = 83.8:
      O T QD    PHE   72 - HB2   PHE   72   2.55 +/- 0.20  99.241% * 99.3386% (0.83   3.71  83.76) =  99.999%  kept
          HZ    PHE   72 - HB2   PHE   72   5.84 +/- 0.00   0.743% *  0.1657% (0.26   0.02  83.76) =   0.001%
          QE    PHE   45 - HB2   PHE   72  10.94 +/- 0.69   0.016% *  0.4956% (0.77   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2886 (9.37, 2.83, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.79, support = 4.33, residual support = 83.8:
      O   HN    PHE   72 - HB2   PHE   72   2.84 +/- 0.64  99.981% * 99.7243% (0.79   4.33  83.76) = 100.000%  kept
          HN    LEU  104 - HB2   PHE   72  13.39 +/- 0.48   0.019% *  0.2757% (0.47   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 0.838, support = 0.0196, residual support = 4.54:
          HB2   GLN   30 - HA    LEU   73   6.01 +/- 0.28  56.767% * 10.7462% (0.80   0.02   4.91) =  55.407%  kept
          HG3   GLN   30 - HA    LEU   73   6.74 +/- 0.72  30.731% * 13.3017% (0.99   0.02   4.91) =  37.127%  kept
          HB2   GLN   17 - HA    LEU   73   8.25 +/- 0.42   9.025% *  6.5324% (0.49   0.02   0.02) =   5.355%  kept
          QB    GLU-  15 - HA    LEU   73  10.67 +/- 0.73   1.974% *  6.5324% (0.49   0.02   0.02) =   1.171%
          HB3   PRO   68 - HA    LEU   73  13.90 +/- 1.12   0.417% * 11.6413% (0.87   0.02   0.02) =   0.441%
          HB3   GLU-  25 - HA    LEU   73  14.16 +/- 0.37   0.347% *  4.1422% (0.31   0.02   0.02) =   0.130%
          HB2   PRO   93 - HA    LEU   73  13.83 +/- 0.77   0.429% *  2.9879% (0.22   0.02   0.02) =   0.116%
          HB    ILE  119 - HA    LEU   73  18.27 +/- 0.43   0.075% * 10.7462% (0.80   0.02   0.02) =   0.073%
          HB3   GLU- 100 - HA    LEU   73  18.69 +/- 0.44   0.067% * 11.6413% (0.87   0.02   0.02) =   0.071%
          HB2   ARG+  54 - HA    LEU   73  18.07 +/- 0.76   0.084% *  6.5324% (0.49   0.02   0.02) =   0.050%
          HB    VAL  108 - HA    LEU   73  19.74 +/- 0.31   0.047% *  7.5980% (0.57   0.02   0.02) =   0.032%
          HB2   LYS+ 111 - HA    LEU   73  20.51 +/- 0.61   0.038% *  7.5980% (0.57   0.02   0.02) =   0.026%
    Distance limit 3.78 A violated in 20 structures by 1.71 A, eliminated.
    Peak unassigned.
 
    Peak 2888 (8.49, 5.57, 52.40 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.93, residual support = 45.4:
      O   HN    LYS+  74 - HA    LEU   73   2.35 +/- 0.10  99.976% * 98.8376% (0.69   5.93  45.45) = 100.000%  kept
          HN    THR   46 - HA    LEU   73   9.65 +/- 0.20   0.022% *  0.1349% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HA    LEU   73  20.26 +/- 0.42   0.000% *  0.4842% (1.00   0.02   0.02) =   0.000%
          HN    MET   92 - HA    LEU   73  15.51 +/- 1.70   0.002% *  0.0749% (0.15   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LEU   73  21.93 +/- 2.57   0.000% *  0.4684% (0.97   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 0.709, support = 6.07, residual support = 139.7:
      O   HN    LEU   73 - HA    LEU   73   2.93 +/- 0.01  32.592% * 91.8087% (0.80   6.68 162.74) =  85.371%  kept
          HN    ILE   19 - HA    LEU   73   2.56 +/- 0.39  67.091% *  7.6414% (0.18   2.54   5.23) =  14.627%  kept
          HN    VAL   42 - HA    LEU   73   6.42 +/- 0.20   0.316% *  0.2749% (0.80   0.02   3.07) =   0.002%
          HN    LYS+ 106 - HA    LEU   73  16.53 +/- 0.24   0.001% *  0.2749% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 6.43, residual support = 162.7:
      O   HN    LEU   73 - HB2   LEU   73   2.98 +/- 0.25  98.215% * 98.8742% (0.38   6.43 162.74) =  99.994%  kept
          HN    VAL   42 - HB2   LEU   73   5.84 +/- 0.44   1.778% *  0.3077% (0.38   0.02   3.07) =   0.006%
          HN    LYS+ 106 - HB2   LEU   73  14.85 +/- 0.50   0.007% *  0.8181% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 0.801, support = 2.66, residual support = 10.6:
          HA    VAL   43 - HB2   LEU   73   3.21 +/- 0.38  99.687% * 98.1745% (0.80   2.66  10.58) =  99.997%  kept
        T HA    HIS   22 - HB2   LEU   73   9.23 +/- 0.52   0.298% *  0.9219% (1.00   0.02   0.02) =   0.003%
          HA    ASN   69 - HB2   LEU   73  14.26 +/- 0.28   0.015% *  0.9036% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2892 (8.50, 1.38, 46.21 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.68, residual support = 45.4:
          HN    LYS+  74 - HB3   LEU   73   2.98 +/- 0.14  99.981% * 97.5992% (0.25   5.68  45.45) = 100.000%  kept
          HN    ASP-  78 - HB3   LEU   73  12.63 +/- 0.37   0.018% *  0.5667% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB3   LEU   73  21.07 +/- 0.27   0.001% *  1.0535% (0.76   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LEU   73  23.06 +/- 2.92   0.001% *  0.7805% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2893 (8.96, 1.44, 27.31 ppm):
    20 chemical-shift based assignments, quality = 0.768, support = 5.33, residual support = 150.7:
          HN    LEU   73 - HG    LEU   73   3.04 +/- 0.17  56.107% * 66.8580% (0.80   5.69 162.74) =  92.519%  kept
          HN    VAL   42 - HG    LEU   73   4.41 +/- 0.36   6.284% * 22.1362% (0.80   1.88   3.07) =   3.431%  kept
          HN    ILE   19 - HG12  ILE   19   3.67 +/- 0.36  19.648% *  5.1466% (0.06   6.14 170.43) =   2.494%
          HN    VAL   42 - HG    LEU   40   4.42 +/- 1.21  12.237% *  5.1327% (0.15   2.34   1.85) =   1.549%
          HN    ILE   19 - HG    LEU   73   4.96 +/- 0.59   5.051% *  0.0514% (0.18   0.02   5.23) =   0.006%
          HN    LEU   73 - HG12  ILE   19   7.34 +/- 0.21   0.298% *  0.0767% (0.26   0.02   5.23) =   0.001%
          HN    LEU   73 - HG    LEU   40   8.24 +/- 1.16   0.182% *  0.0438% (0.15   0.02   0.02) =   0.000%
          HN    VAL   42 - HG12  ILE   19   9.34 +/- 0.34   0.071% *  0.0767% (0.26   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   40  10.82 +/- 0.48   0.029% *  0.0438% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  15.09 +/- 0.55   0.004% *  0.2349% (0.80   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  12.41 +/- 1.08   0.015% *  0.0286% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  10.94 +/- 1.18   0.030% *  0.0096% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU  115  11.34 +/- 0.53   0.022% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  15.00 +/- 1.00   0.004% *  0.0286% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  13.64 +/- 1.03   0.008% *  0.0063% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  20.80 +/- 0.25   0.001% *  0.0767% (0.26   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU  115  15.28 +/- 1.10   0.004% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU  115  15.50 +/- 1.06   0.004% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  20.27 +/- 1.30   0.001% *  0.0286% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU  115  17.69 +/- 1.05   0.002% *  0.0014% (0.00   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.209, support = 0.0196, residual support = 0.0196:
          HN    LEU   71 - HG    LEU   73   6.55 +/- 0.17  18.638% * 15.0226% (0.28   0.02   0.02) =  49.370%  kept
          HN    LEU   71 - HG    LEU   40   5.16 +/- 0.89  71.351% *  2.8008% (0.05   0.02   0.02) =  35.236%  kept
          HN    THR   26 - HG    LEU   73  11.46 +/- 0.26   0.688% * 45.1304% (0.84   0.02   0.02) =   5.474%  kept
          HN    THR   26 - HG    LEU   80   8.18 +/- 0.72   5.311% *  5.4916% (0.10   0.02   0.02) =   5.143%  kept
          HN    LEU   71 - HG12  ILE   19   8.78 +/- 0.47   3.124% *  4.9061% (0.09   0.02   0.02) =   2.703%  kept
          HN    THR   26 - HG12  ILE   19  11.25 +/- 0.49   0.779% * 14.7389% (0.27   0.02   0.02) =   2.024%
          HN    THR   26 - HG    LEU   40  19.66 +/- 1.10   0.022% *  8.4139% (0.16   0.02   0.02) =   0.032%
          HN    LEU   71 - HG    LEU   80  17.96 +/- 0.86   0.045% *  1.8280% (0.03   0.02   0.02) =   0.015%
          HN    LEU   71 - HG    LEU  115  18.62 +/- 0.99   0.038% *  0.4165% (0.01   0.02   0.02) =   0.003%
          HN    THR   26 - HG    LEU  115  27.51 +/- 1.15   0.004% *  1.2512% (0.02   0.02   0.02) =   0.001%
    Distance limit 4.00 A violated in 18 structures by 0.80 A, eliminated.
    Peak unassigned.
 
    Peak 2895 (8.97, 0.78, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.375, support = 7.95, residual support = 162.7:
          HN    LEU   73 - QD2   LEU   73   2.56 +/- 0.61  89.311% * 98.6980% (0.38   7.96 162.74) =  99.970%  kept
          HN    VAL   42 - QD2   LEU   73   3.74 +/- 0.78   9.270% *  0.2481% (0.38   0.02   3.07) =   0.026%
          HN    LYS+ 106 - HG3   LYS+ 121   5.85 +/- 0.43   1.401% *  0.2250% (0.34   0.02   0.02) =   0.004%
          HN    LYS+ 106 - QD2   LEU   73  12.98 +/- 1.32   0.006% *  0.6597% (1.00   0.02   0.02) =   0.000%
          HN    VAL   42 - HG3   LYS+ 121  13.34 +/- 0.51   0.008% *  0.0846% (0.13   0.02   0.02) =   0.000%
          HN    LEU   73 - HG3   LYS+ 121  15.84 +/- 0.48   0.003% *  0.0846% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2897 (8.50, 0.78, 24.39 ppm):
    8 chemical-shift based assignments, quality = 0.249, support = 6.07, residual support = 45.4:
          HN    LYS+  74 - QD2   LEU   73   4.00 +/- 0.29  99.792% * 96.9027% (0.25   6.07  45.45) =  99.999%  kept
          HN    ASP-  78 - QD2   LEU   73  12.56 +/- 0.43   0.124% *  0.5261% (0.41   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QD2   LEU   73  17.67 +/- 1.23   0.019% *  0.9780% (0.76   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HG3   LYS+ 121  15.05 +/- 0.56   0.040% *  0.3335% (0.26   0.02   0.02) =   0.000%
          HN    MET   11 - QD2   LEU   73  18.23 +/- 2.07   0.015% *  0.7245% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   LYS+ 121  19.78 +/- 0.47   0.007% *  0.1088% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 121  25.15 +/- 0.42   0.002% *  0.1794% (0.14   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 121  33.58 +/- 2.88   0.000% *  0.2471% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 4 structures by 0.14 A, kept.
 
    Peak 2898 (8.50, 1.48, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.2, support = 5.75, residual support = 175.6:
      O   HN    LYS+  74 - HB2   LYS+  74   3.02 +/- 0.17  99.916% * 97.6281% (0.20   5.75 175.61) = 100.000%  kept
          HN    ASP-  78 - HB2   LYS+  74  10.50 +/- 0.62   0.080% *  0.5599% (0.33   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   LYS+  74  17.70 +/- 0.62   0.003% *  1.0409% (0.61   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+  74  23.77 +/- 2.79   0.001% *  0.7711% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.403, support = 0.0196, residual support = 26.6:
          HN    VAL   75 - HB3   LYS+  74   4.44 +/- 0.09  99.059% * 23.3279% (0.41   0.02  27.08) =  98.072%  kept
          HN    ASP-  78 - HB3   LYS+  74   9.73 +/- 0.40   0.915% * 49.2209% (0.87   0.02   0.02) =   1.912%
          HN    LYS+ 112 - HB3   LYS+  74  18.78 +/- 0.57   0.018% * 17.5137% (0.31   0.02   0.02) =   0.013%
          HN    MET   11 - HB3   LYS+  74  23.73 +/- 2.98   0.008% *  9.9375% (0.18   0.02   0.02) =   0.003%
    Distance limit 3.74 A violated in 20 structures by 0.70 A, eliminated.
    Peak unassigned.
 
    Peak 2900 (8.52, 1.24, 25.23 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 5.66, residual support = 27.1:
          HN    VAL   75 - HG2   LYS+  74   3.36 +/- 0.27  99.399% * 99.5058% (0.84   5.66  27.08) =  99.998%  kept
          HN    ASP-  78 - HG2   LYS+  74   8.10 +/- 0.93   0.590% *  0.4126% (0.98   0.02   0.02) =   0.002%
          HN    VAL   75 - HG3   LYS+ 111  16.92 +/- 0.46   0.007% *  0.0376% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  18.59 +/- 0.52   0.004% *  0.0441% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2901 (0.45, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 0.335, residual support = 0.335:
          QG1   VAL   75 - HA    THR   77   3.57 +/- 0.41  99.975% * 95.5857% (0.84   0.34   0.34) =  99.999%  kept
          QD1   LEU  115 - HA    THR   77  14.90 +/- 0.63   0.025% *  4.4143% (0.65   0.02   0.02) =   0.001%
    Distance limit 3.54 A violated in 2 structures by 0.14 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2902 (8.53, 2.78, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.95, residual support = 37.1:
      O   HN    ASP-  78 - HB3   ASP-  78   2.53 +/- 0.36  99.974% * 99.5226% (0.95   3.95  37.07) = 100.000%  kept
          HN    VAL   75 - HB3   ASP-  78  10.32 +/- 0.32   0.026% *  0.4774% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2903 (8.53, 2.91, 41.22 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 4.83, residual support = 37.1:
      O   HN    ASP-  78 - HB2   ASP-  78   2.65 +/- 0.24  99.966% * 99.6093% (0.95   4.83  37.07) = 100.000%  kept
          HN    VAL   75 - HB2   ASP-  78  10.07 +/- 0.39   0.034% *  0.3907% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 4.15, residual support = 53.7:
      O T HB3   GLU-  79 - HA    GLU-  79   2.92 +/- 0.13  99.935% * 98.5585% (1.00   4.15  53.74) = 100.000%  kept
        T HB2   GLN   90 - HA    GLU-  79  10.39 +/- 0.81   0.058% *  0.2883% (0.61   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU-  79  17.08 +/- 0.55   0.003% *  0.3807% (0.80   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  79  16.28 +/- 0.68   0.003% *  0.1954% (0.41   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  79  22.52 +/- 0.29   0.000% *  0.4712% (0.99   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  79  28.39 +/- 0.57   0.000% *  0.1058% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 3.44, residual support = 53.7:
      O   QG    GLU-  79 - HB3   GLU-  79   2.24 +/- 0.07  99.992% * 97.6797% (0.98   3.44  53.74) = 100.000%  kept
          QG    GLU-  79 - HB2   GLN   90  11.49 +/- 0.66   0.006% *  0.2113% (0.36   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU-  79  16.19 +/- 1.19   0.001% *  0.4433% (0.76   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  79  18.68 +/- 0.82   0.000% *  0.1291% (0.22   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU-  79  20.79 +/- 0.40   0.000% *  0.2385% (0.41   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLN   90  18.11 +/- 0.84   0.000% *  0.0480% (0.08   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   GLU-  79  26.23 +/- 0.68   0.000% *  0.3984% (0.69   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU-  79  26.75 +/- 0.49   0.000% *  0.3284% (0.57   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLN   90  24.37 +/- 1.32   0.000% *  0.1647% (0.28   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLN   90  25.03 +/- 0.66   0.000% *  0.1220% (0.21   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLN   90  23.98 +/- 0.61   0.000% *  0.0886% (0.15   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLN   90  31.24 +/- 0.73   0.000% *  0.1480% (0.26   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2906 (2.90, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.986, support = 2.14, residual support = 4.8:
          HB2   ASP-  76 - HB3   GLU-  79   3.04 +/- 0.40  95.942% * 41.3854% (1.00   2.06   4.25) =  95.109%  kept
          HB2   ASP-  78 - HB3   GLU-  79   5.51 +/- 0.64   3.552% * 57.4735% (0.76   3.73  15.47) =   4.890%  kept
          HB2   ASP-  78 - HB2   GLN   90   8.12 +/- 1.04   0.426% *  0.1144% (0.28   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HB2   GLN   90  11.31 +/- 0.55   0.048% *  0.1494% (0.37   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HB3   GLU-  79  12.59 +/- 0.41   0.025% *  0.0706% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   GLU-  79  16.75 +/- 1.17   0.005% *  0.1005% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   GLU-  79  25.65 +/- 0.61   0.000% *  0.3889% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB3   GLU-  79  24.18 +/- 0.72   0.000% *  0.0797% (0.20   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HB2   GLN   90  22.10 +/- 0.60   0.001% *  0.0262% (0.07   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLN   90  25.66 +/- 1.00   0.000% *  0.0373% (0.09   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLN   90  33.07 +/- 0.58   0.000% *  0.1445% (0.36   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLN   90  27.33 +/- 0.81   0.000% *  0.0296% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2907 (4.26, 2.14, 31.53 ppm):
    20 chemical-shift based assignments, quality = 0.801, support = 4.15, residual support = 53.7:
      O T HA    GLU-  79 - HB3   GLU-  79   2.92 +/- 0.13  95.792% * 96.1940% (0.80   4.15  53.74) =  99.997%  kept
          HB    THR   77 - HB2   GLN   90   5.07 +/- 0.23   3.741% *  0.0665% (0.11   0.02   0.02) =   0.003%
          HB    THR   77 - HB3   GLU-  79   8.17 +/- 0.32   0.216% *  0.1788% (0.31   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HB2   GLN   90  10.39 +/- 0.81   0.055% *  0.1724% (0.30   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLN   90   9.09 +/- 0.30   0.110% *  0.0665% (0.11   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  11.10 +/- 0.24   0.033% *  0.1788% (0.31   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  12.37 +/- 0.77   0.018% *  0.2037% (0.35   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  15.13 +/- 0.51   0.005% *  0.5680% (0.98   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  12.50 +/- 0.31   0.016% *  0.1445% (0.25   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  17.35 +/- 0.59   0.002% *  0.5481% (0.95   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  16.98 +/- 0.38   0.003% *  0.2110% (0.36   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  15.08 +/- 0.46   0.005% *  0.0537% (0.09   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  21.00 +/- 0.58   0.001% *  0.2382% (0.41   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  23.70 +/- 0.52   0.000% *  0.5026% (0.87   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  23.98 +/- 0.79   0.000% *  0.0885% (0.15   0.02   0.02) =   0.000%
          HA    SER  117 - HB3   GLU-  79  28.11 +/- 0.34   0.000% *  0.1611% (0.28   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  28.72 +/- 3.04   0.000% *  0.1290% (0.22   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  30.67 +/- 0.57   0.000% *  0.1868% (0.32   0.02   0.02) =   0.000%
          HA    SER  117 - HB2   GLN   90  27.38 +/- 0.63   0.000% *  0.0599% (0.10   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  38.86 +/- 2.85   0.000% *  0.0479% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2908 (4.47, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.27, support = 3.96, residual support = 95.2:
      O T HA    GLN   90 - HB2   GLN   90   2.47 +/- 0.13  98.257% * 92.1903% (0.27   3.96  95.25) =  99.994%  kept
          HA    ALA   91 - HB2   GLN   90   5.06 +/- 0.30   1.660% *  0.3118% (0.18   0.02  33.38) =   0.006%
        T HA    GLN   90 - HB3   GLU-  79   9.67 +/- 0.60   0.030% *  1.2520% (0.73   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   GLU-  79   9.41 +/- 0.43   0.034% *  0.4794% (0.28   0.02   0.02) =   0.000%
          HA    ALA   91 - HB3   GLU-  79  11.44 +/- 1.88   0.014% *  0.8392% (0.49   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  15.06 +/- 0.55   0.002% *  0.5351% (0.31   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  18.01 +/- 0.34   0.001% *  1.4401% (0.84   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  20.13 +/- 0.70   0.000% *  0.9071% (0.53   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  20.88 +/- 0.37   0.000% *  1.1154% (0.65   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  18.42 +/- 0.63   0.001% *  0.3370% (0.20   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  19.38 +/- 0.82   0.000% *  0.4144% (0.24   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   GLN   90  19.56 +/- 0.42   0.000% *  0.1781% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.986, support = 1.98, residual support = 4.83:
          HB2   ASP-  76 - HB2   GLU-  79   2.25 +/- 0.30  96.350% * 40.3796% (1.00   1.89   4.25) =  94.764%  kept
          HB2   ASP-  78 - HB2   GLU-  79   4.33 +/- 0.65   3.647% * 58.9408% (0.76   3.60  15.47) =   5.236%  kept
          HB2   ASN   28 - HB2   GLU-  79  13.98 +/- 0.47   0.002% *  0.0750% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLU-  79  17.62 +/- 1.12   0.001% *  0.1068% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLU-  79  26.01 +/- 0.76   0.000% *  0.4132% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLU-  79  23.88 +/- 0.80   0.000% *  0.0847% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2910 (8.07, 2.31, 31.53 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 5.2, residual support = 47.2:
          HN    LEU   80 - HB2   GLU-  79   3.25 +/- 0.40  99.801% * 98.4672% (0.61   5.20  47.25) =  99.999%  kept
          HN    SER   85 - HB2   GLU-  79   9.54 +/- 0.30   0.172% *  0.3038% (0.49   0.02   0.02) =   0.001%
          HN    CYS   53 - HB2   GLU-  79  13.97 +/- 0.43   0.019% *  0.2343% (0.38   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLU-  79  17.29 +/- 0.49   0.005% *  0.5414% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLU-  79  18.58 +/- 0.61   0.003% *  0.4533% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2911 (8.07, 2.14, 31.53 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 5.36, residual support = 47.2:
          HN    LEU   80 - HB3   GLU-  79   1.95 +/- 0.33  99.962% * 97.8357% (0.61   5.36  47.25) = 100.000%  kept
          HN    SER   85 - HB3   GLU-  79   8.81 +/- 0.26   0.017% *  0.2932% (0.49   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   GLN   90   9.87 +/- 0.26   0.012% *  0.1089% (0.18   0.02   0.02) =   0.000%
          HN    LEU   80 - HB2   GLN   90  12.24 +/- 0.63   0.003% *  0.1357% (0.23   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLN   90  11.83 +/- 0.57   0.004% *  0.0840% (0.14   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   GLU-  79  15.05 +/- 0.52   0.001% *  0.2260% (0.38   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  16.10 +/- 0.39   0.001% *  0.5224% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HB3   GLU-  79  17.61 +/- 0.39   0.000% *  0.4374% (0.73   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  25.20 +/- 0.59   0.000% *  0.1941% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLN   90  26.32 +/- 0.54   0.000% *  0.1625% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2912 (8.61, 2.14, 31.53 ppm):
    8 chemical-shift based assignments, quality = 0.225, support = 5.68, residual support = 95.2:
      O   HN    GLN   90 - HB2   GLN   90   3.80 +/- 0.11  97.164% * 95.3158% (0.23   5.68  95.25) =  99.992%  kept
          HE1   HIS   22 - HB3   GLU-  79   7.09 +/- 0.55   2.612% *  0.2297% (0.15   0.02   0.02) =   0.006%
          HN    GLN   90 - HB3   GLU-  79  11.29 +/- 0.54   0.149% *  0.9030% (0.61   0.02   0.02) =   0.001%
          HN    GLY  109 - HB2   GLN   90  13.96 +/- 1.02   0.046% *  0.4961% (0.33   0.02   0.02) =   0.000%
          HN    GLY  109 - HB3   GLU-  79  17.97 +/- 0.71   0.009% *  1.3351% (0.90   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLU-  79  22.59 +/- 0.72   0.002% *  1.1921% (0.80   0.02   0.02) =   0.000%
          HE1   HIS   22 - HB2   GLN   90  16.42 +/- 1.10   0.016% *  0.0853% (0.06   0.02   0.02) =   0.000%
          HN    ILE  103 - HB2   GLN   90  25.20 +/- 0.89   0.001% *  0.4429% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2913 (8.07, 2.38, 37.37 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.96, residual support = 47.2:
          HN    LEU   80 - QG    GLU-  79   2.51 +/- 0.59  99.907% * 98.3951% (0.61   4.96  47.25) = 100.000%  kept
          HN    SER   85 - QG    GLU-  79   8.88 +/- 0.50   0.079% *  0.3181% (0.49   0.02   0.02) =   0.000%
          HN    GLN   32 - QG    GLU-  79  15.12 +/- 0.50   0.004% *  0.5669% (0.87   0.02   0.02) =   0.000%
          HN    CYS   53 - QG    GLU-  79  14.32 +/- 0.65   0.008% *  0.2453% (0.38   0.02   0.02) =   0.000%
          HN    ALA   34 - QG    GLU-  79  16.56 +/- 0.43   0.002% *  0.4746% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2914 (8.06, 4.27, 58.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 5.32, residual support = 47.2:
      O   HN    LEU   80 - HA    GLU-  79   3.06 +/- 0.11  99.644% * 97.0995% (0.28   5.32  47.25) =  99.996%  kept
          HN    SER   85 - HA    GLU-  79   7.91 +/- 0.17   0.352% *  1.0971% (0.84   0.02   0.02) =   0.004%
          HN    GLN   32 - HA    GLU-  79  18.59 +/- 0.28   0.002% *  1.3105% (1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    GLU-  79  20.36 +/- 0.38   0.001% *  0.4929% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2915 (1.40, 0.59, 24.39 ppm):
    15 chemical-shift based assignments, quality = 0.543, support = 4.44, residual support = 82.9:
      O   HG    LEU   80 - QD2   LEU   80   2.10 +/- 0.02  76.964% * 31.4995% (0.34   4.76  82.86) =  61.546%  kept
      O   HB2   LEU   80 - QD2   LEU   80   2.68 +/- 0.36  22.936% * 66.0411% (0.87   3.92  82.86) =  38.454%  kept
          HB3   LYS+  74 - QD2   LEU   80   8.34 +/- 0.32   0.021% *  0.3805% (0.98   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD2   LEU   80   6.92 +/- 0.38   0.064% *  0.0968% (0.25   0.02   0.02) =   0.000%
          QB    LEU   98 - QD2   LEU   80  11.47 +/- 0.58   0.003% *  0.3746% (0.97   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   80  10.79 +/- 0.34   0.004% *  0.1740% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   80  11.89 +/- 1.08   0.003% *  0.1457% (0.38   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   80  12.87 +/- 0.40   0.001% *  0.1198% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   80  13.78 +/- 0.35   0.001% *  0.1457% (0.38   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   80  18.07 +/- 2.04   0.000% *  0.2967% (0.76   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   80  14.05 +/- 0.30   0.001% *  0.0768% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   80  20.77 +/- 1.00   0.000% *  0.3746% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   80  18.29 +/- 0.41   0.000% *  0.1198% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   80  18.31 +/- 1.04   0.000% *  0.0864% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   80  21.37 +/- 0.50   0.000% *  0.0680% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 0.922, support = 4.86, residual support = 48.1:
          HA    LEU   80 - QD2   LEU   80   3.14 +/- 0.28  44.010% * 59.3312% (0.87   5.94  82.86) =  55.387%  kept
          HA    THR   23 - QD2   LEU   80   3.05 +/- 0.32  52.285% * 40.2138% (0.99   3.52   4.93) =  44.600%  kept
          HB    THR   23 - QD2   LEU   80   4.69 +/- 0.23   3.621% *  0.1673% (0.73   0.02   4.93) =   0.013%
          HA    ASP-  78 - QD2   LEU   80   8.78 +/- 0.10   0.082% *  0.1845% (0.80   0.02   0.64) =   0.000%
          HA    ASP- 105 - QD2   LEU   80  17.54 +/- 0.51   0.001% *  0.1033% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.77 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 = 0.627, support = 2.62, residual support = 13.4:
          HE3   TRP   27 - QD2   LEU   80   4.43 +/- 0.25  21.499% * 45.3228% (0.92   2.55  15.20) =  43.190%  kept
          HN    THR   23 - QD2   LEU   80   3.59 +/- 0.22  70.698% * 13.6922% (0.41   1.73   4.93) =  42.907%  kept
          HN    LYS+  81 - QD2   LEU   80   5.24 +/- 0.22   7.758% * 40.4262% (0.38   5.59  34.22) =  13.902%  kept
          QE    PHE   95 - QD2   LEU   80  12.75 +/- 0.49   0.036% *  0.1727% (0.45   0.02   0.02) =   0.000%
          QD    PHE   55 - QD2   LEU   80  17.70 +/- 0.61   0.005% *  0.3341% (0.87   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   80  18.19 +/- 0.32   0.004% *  0.0521% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2918 (9.19, 0.59, 24.39 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 2.97, residual support = 9.64:
          HN    VAL   24 - QD2   LEU   80   2.72 +/- 0.24  99.965% * 99.5162% (0.31   2.97   9.64) = 100.000%  kept
          HN    VAL   43 - QD2   LEU   80  10.48 +/- 0.35   0.035% *  0.4838% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2919 (7.32, 0.56, 25.66 ppm):
    12 chemical-shift based assignments, quality = 0.244, support = 4.15, residual support = 32.4:
          HN    LYS+  81 - QD1   LEU   80   3.49 +/- 0.21  72.686% * 80.7322% (0.24   4.38  34.22) =  93.836%  kept
          HN    THR   23 - QD1   LEU   80   4.51 +/- 1.00  25.337% * 15.1534% (0.27   0.75   4.93) =   6.140%  kept
          HE3   TRP   27 - QD1   LEU   80   6.62 +/- 0.91   1.372% *  0.9074% (0.60   0.02  15.20) =   0.020%
          HE3   TRP   27 - QD2   LEU   98   8.05 +/- 0.77   0.445% *  0.5201% (0.34   0.02   0.02) =   0.004%
          QE    PHE   95 - QD2   LEU   98  10.69 +/- 0.87   0.086% *  0.2526% (0.17   0.02   0.02) =   0.000%
          HN    THR   23 - QD2   LEU   98  12.79 +/- 0.60   0.025% *  0.2316% (0.15   0.02   0.02) =   0.000%
          QE    PHE   95 - QD1   LEU   80  14.17 +/- 1.10   0.013% *  0.4407% (0.29   0.02   0.02) =   0.000%
          QD    PHE   55 - QD1   LEU   80  18.55 +/- 1.19   0.003% *  0.8526% (0.56   0.02   0.02) =   0.000%
          QD    PHE   55 - QD2   LEU   98  17.33 +/- 0.82   0.004% *  0.4887% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD2   LEU   98  15.65 +/- 0.73   0.007% *  0.2115% (0.14   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   98  13.36 +/- 0.60   0.020% *  0.0763% (0.05   0.02   0.02) =   0.000%
          HN    LEU   67 - QD1   LEU   80  20.20 +/- 1.21   0.002% *  0.1330% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2920 (7.30, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 5.9, residual support = 109.6:
          HN    LYS+  81 - QG    LYS+  81   1.94 +/- 0.22  99.981% * 98.7928% (0.87   5.90 109.60) = 100.000%  kept
          HE3   TRP   27 - HG2   LYS+  33   9.76 +/- 0.33   0.008% *  0.0828% (0.21   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  11.60 +/- 0.40   0.003% *  0.1730% (0.45   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+ 106  10.78 +/- 1.01   0.005% *  0.0447% (0.12   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+  33  14.03 +/- 0.92   0.001% *  0.0972% (0.25   0.02   0.02) =   0.000%
          QD    PHE   60 - QG    LYS+  81  15.75 +/- 0.40   0.000% *  0.2030% (0.53   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  14.90 +/- 1.15   0.001% *  0.0381% (0.10   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  19.66 +/- 0.68   0.000% *  0.1448% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  19.81 +/- 0.63   0.000% *  0.1602% (0.42   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  16.27 +/- 0.78   0.000% *  0.0319% (0.08   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+  33  17.51 +/- 1.32   0.000% *  0.0250% (0.06   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  21.76 +/- 0.90   0.000% *  0.0736% (0.19   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+ 106  17.26 +/- 0.64   0.000% *  0.0115% (0.03   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  25.42 +/- 1.03   0.000% *  0.0693% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - QG    LYS+  81  25.00 +/- 0.33   0.000% *  0.0522% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.643, support = 0.0199, residual support = 0.0199:
          HN    GLU-  79 - QG    LYS+  81   5.19 +/- 0.14  96.108% * 29.1271% (0.65   0.02   0.02) =  99.337%  kept
          HN    VAL   70 - HG2   LYS+  33  11.56 +/- 1.40   1.035% *  8.8625% (0.20   0.02   0.02) =   0.325%
          HN    THR   94 - HG2   LYS+ 106  10.01 +/- 1.08   2.483% *  2.4703% (0.05   0.02   0.02) =   0.218%
          HN    THR   94 - QG    LYS+  81  14.86 +/- 0.37   0.176% * 11.2272% (0.25   0.02   0.02) =   0.070%
          HN    GLU-  79 - HG2   LYS+  33  19.64 +/- 0.27   0.033% * 13.9455% (0.31   0.02   0.02) =   0.017%
          HN    VAL   70 - HG2   LYS+ 106  16.72 +/- 0.59   0.089% *  4.0728% (0.09   0.02   0.02) =   0.013%
          HN    GLU-  79 - HG2   LYS+ 106  19.40 +/- 1.05   0.038% *  6.4088% (0.14   0.02   0.02) =   0.009%
          HN    VAL   70 - QG    LYS+  81  24.55 +/- 0.44   0.009% * 18.5105% (0.41   0.02   0.02) =   0.006%
          HN    THR   94 - HG2   LYS+  33  20.15 +/- 0.96   0.030% *  5.3754% (0.12   0.02   0.02) =   0.006%
    Distance limit 3.87 A violated in 20 structures by 1.32 A, eliminated.
    Peak unassigned.
 
    Peak 2922 (7.32, 1.87, 32.96 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 5.22, residual support = 109.6:
      O   HN    LYS+  81 - QB    LYS+  81   2.61 +/- 0.13  88.473% * 96.8875% (0.38   5.22 109.60) =  99.987%  kept
          QD    PHE   55 - HB3   PRO   52   4.66 +/- 1.03  11.377% *  0.0984% (0.10   0.02   1.18) =   0.013%
          HN    THR   23 - QB    LYS+  81   9.38 +/- 0.30   0.043% *  0.4065% (0.41   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    LYS+  81  12.42 +/- 0.39   0.008% *  0.9127% (0.92   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   PRO   52   8.48 +/- 0.78   0.096% *  0.0509% (0.05   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    LYS+  81  17.93 +/- 0.36   0.001% *  0.4433% (0.45   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    LYS+  81  20.85 +/- 0.63   0.000% *  0.8577% (0.87   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   PRO   52  19.86 +/- 0.98   0.001% *  0.1047% (0.11   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PRO   52  20.67 +/- 0.81   0.000% *  0.0426% (0.04   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   PRO   52  21.70 +/- 0.80   0.000% *  0.0466% (0.05   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    LYS+  81  26.20 +/- 0.42   0.000% *  0.1338% (0.14   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   PRO   52  20.96 +/- 0.91   0.000% *  0.0153% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 5.31, residual support = 109.6:
      O   HN    LYS+  81 - HA    LYS+  81   2.75 +/- 0.02  99.986% * 99.3588% (0.87   5.31 109.60) = 100.000%  kept
          HE3   TRP   27 - HA    LYS+  81  12.52 +/- 0.37   0.011% *  0.1936% (0.45   0.02   0.02) =   0.000%
          QD    PHE   60 - HA    LYS+  81  17.16 +/- 0.40   0.002% *  0.2272% (0.53   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    LYS+  81  21.34 +/- 0.73   0.000% *  0.1621% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LYS+  81  27.66 +/- 0.38   0.000% *  0.0584% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.374, support = 4.56, residual support = 34.1:
          HA    LEU   80 - QG    LYS+  81   4.10 +/- 0.28  73.997% * 95.6424% (0.38   4.57  34.22) =  99.638%  kept
          HA    ASP-  78 - QG    LYS+  81   5.39 +/- 0.54  18.672% *  1.0920% (0.98   0.02   0.02) =   0.287%
          HA    THR   23 - QG    LYS+  81   6.40 +/- 0.64   5.794% *  0.8514% (0.76   0.02   0.02) =   0.069%
          HB    THR   23 - QG    LYS+  81   8.33 +/- 0.73   1.133% *  0.2778% (0.25   0.02   0.02) =   0.004%
          HA    PHE   45 - QG    LYS+  81  11.37 +/- 0.26   0.156% *  0.1719% (0.15   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+  33  14.92 +/- 0.60   0.031% *  0.4076% (0.37   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+  33  13.95 +/- 0.87   0.049% *  0.1330% (0.12   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+ 106  12.18 +/- 1.14   0.124% *  0.0378% (0.03   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+  33  17.31 +/- 0.57   0.013% *  0.2002% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+  33  23.01 +/- 0.24   0.002% *  0.5228% (0.47   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+  33  17.10 +/- 0.72   0.014% *  0.0823% (0.07   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+ 106  20.68 +/- 1.06   0.004% *  0.2403% (0.22   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+ 106  21.33 +/- 1.14   0.004% *  0.1873% (0.17   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+ 106  20.20 +/- 0.95   0.005% *  0.0920% (0.08   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+ 106  22.87 +/- 1.07   0.002% *  0.0611% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 2 structures by 0.12 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 = 34.9:
      O   HN    SER   82 - HB3   SER   82   2.60 +/- 0.40 100.000% * 97.4913% (0.41   3.71  34.89) = 100.000%  kept
          HN    GLY   16 - HB3   SER   82  24.70 +/- 0.68   0.000% *  1.2543% (0.98   0.02   0.02) =   0.000%
          HN    SER  117 - HB3   SER   82  29.84 +/- 0.78   0.000% *  1.2543% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 0.328, support = 3.7, residual support = 15.7:
      O   HN    TRP   49 - HA    SER   48   3.49 +/- 0.04  31.600% * 52.7182% (0.40   3.93  14.67) =  49.600%  kept
          HN    VAL   83 - HB2   SER   82   3.36 +/- 0.29  41.118% * 32.7142% (0.24   4.10  20.89) =  40.051%  kept
          HN    CYS   50 - HA    SER   48   3.58 +/- 0.20  27.239% * 12.7605% (0.36   1.06   0.11) =  10.349%  kept
          HE22  GLN   30 - HB2   SER   82  13.03 +/- 0.84   0.012% *  0.2182% (0.32   0.02   0.02) =   0.000%
          HE22  GLN   30 - HA    VAL   70  12.48 +/- 0.94   0.018% *  0.0758% (0.11   0.02   0.02) =   0.000%
          HN    TRP   49 - HB2   SER   82  17.46 +/- 0.58   0.002% *  0.4888% (0.72   0.02   0.02) =   0.000%
          HN    CYS   50 - HB2   SER   82  19.03 +/- 0.50   0.001% *  0.4394% (0.65   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    SER   48  14.97 +/- 0.74   0.006% *  0.0876% (0.13   0.02   0.02) =   0.000%
          HE22  GLN   30 - HA    SER   48  16.21 +/- 1.17   0.003% *  0.1198% (0.18   0.02   0.02) =   0.000%
          HN    CYS   50 - HA    VAL   70  25.12 +/- 0.44   0.000% *  0.1526% (0.23   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   70  26.02 +/- 0.38   0.000% *  0.1697% (0.25   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    VAL   70  23.02 +/- 0.31   0.000% *  0.0554% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 34.9:
      O   HN    SER   82 - HB2   SER   82   2.74 +/- 0.64  99.572% * 95.6003% (0.39   4.32  34.89) =  99.998%  kept
          HN    GLY   16 - HA    VAL   70   8.14 +/- 1.11   0.417% *  0.3665% (0.32   0.02   0.02) =   0.002%
          HN    SER   82 - HA    SER   48  15.05 +/- 0.80   0.008% *  0.2431% (0.21   0.02   0.02) =   0.000%
          HN    SER  117 - HA    VAL   70  19.55 +/- 0.42   0.001% *  0.3665% (0.32   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER   48  21.67 +/- 1.04   0.001% *  0.5795% (0.51   0.02   0.02) =   0.000%
          HN    SER  117 - HA    SER   48  22.89 +/- 0.83   0.001% *  0.5795% (0.51   0.02   0.02) =   0.000%
          HN    GLY   16 - HB2   SER   82  25.39 +/- 0.94   0.000% *  1.0555% (0.93   0.02   0.02) =   0.000%
          HN    SER  117 - HB2   SER   82  30.67 +/- 0.73   0.000% *  1.0555% (0.93   0.02   0.02) =   0.000%
          HN    SER   82 - HA    VAL   70  24.64 +/- 0.40   0.000% *  0.1537% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 5.26, residual support = 41.3:
          HN    ALA   84 - HB    VAL   83   3.09 +/- 0.42  99.989% * 98.7965% (0.44   5.26  41.30) = 100.000%  kept
          HE21  GLN   32 - HB    VAL   83  16.77 +/- 2.02   0.006% *  0.6924% (0.80   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB    VAL   83  19.43 +/- 0.74   0.002% *  0.3758% (0.44   0.02   0.02) =   0.000%
          HN    ILE   56 - HB    VAL   83  19.25 +/- 0.69   0.002% *  0.1352% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 5 structures by 0.12 A, kept.
 
    Peak 2930 (6.60, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.651, support = 4.8, residual support = 87.3:
      O   HN    VAL   83 - HB    VAL   83   2.51 +/- 0.52  99.993% * 99.2724% (0.65   4.80  87.28) = 100.000%  kept
          HN    CYS   50 - HB    VAL   83  15.56 +/- 0.71   0.003% *  0.5693% (0.90   0.02   0.02) =   0.000%
          HN    TRP   49 - HB    VAL   83  14.41 +/- 0.74   0.004% *  0.1583% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 4 structures by 0.06 A, kept.
 
    Peak 2931 (7.61, 3.68, 55.33 ppm):
    5 chemical-shift based assignments, quality = 0.944, support = 0.0196, residual support = 0.0196:
          HZ2   TRP   87 - HA    ALA   84   8.16 +/- 0.12  90.038% * 31.7530% (0.96   0.02   0.02) =  92.049%  kept
          HD21  ASN   28 - HA    ALA   84  12.83 +/- 0.64   6.217% * 30.7120% (0.93   0.02   0.02) =   6.148%  kept
          QE    PHE   60 - HA    ALA   84  14.56 +/- 0.33   2.826% * 16.7431% (0.51   0.02   0.02) =   1.524%
          HN    ILE   56 - HA    ALA   84  18.26 +/- 0.53   0.734% *  8.8482% (0.27   0.02   0.02) =   0.209%
          HN    LEU   63 - HA    ALA   84  22.91 +/- 0.20   0.185% * 11.9438% (0.36   0.02   0.02) =   0.071%
    Distance limit 3.57 A violated in 20 structures by 4.51 A, eliminated.
    Peak unassigned.
 
    Peak 2932 (6.69, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.804, support = 0.02, residual support = 0.02:
          QE    PHE   45 - HA    ALA   84   6.13 +/- 0.27  99.796% * 37.7702% (0.81   0.02   0.02) =  99.792%  kept
          QD    PHE   72 - HA    ALA   84  17.97 +/- 0.31   0.163% * 43.6396% (0.93   0.02   0.02) =   0.188%
          HZ    PHE   72 - HA    ALA   84  22.60 +/- 0.52   0.041% * 18.5902% (0.40   0.02   0.02) =   0.020%
    Distance limit 4.12 A violated in 20 structures by 2.01 A, eliminated.
    Peak unassigned.
 
    Peak 2933 (1.74, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.913, support = 1.44, residual support = 14.7:
          HB    ILE   89 - HA    ALA   84   1.79 +/- 0.02 100.000% * 98.5325% (0.91   1.44  14.67) = 100.000%  kept
          QG1   ILE   56 - HA    ALA   84  15.71 +/- 0.26   0.000% *  0.6486% (0.43   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ALA   84  23.97 +/- 0.61   0.000% *  0.8190% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2934 (0.10, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.762, support = 3.24, residual support = 29.7:
          QG2   VAL   83 - HA    ALA   84   3.41 +/- 0.37  58.045% * 48.1907% (0.66   3.55  41.30) =  56.337%  kept
          QD1   ILE   89 - HA    ALA   84   3.59 +/- 0.03  41.925% * 51.7109% (0.89   2.84  14.67) =  43.663%  kept
          QD2   LEU   31 - HA    ALA   84  12.09 +/- 0.44   0.030% *  0.0985% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 3.15, residual support = 14.7:
          HG13  ILE   89 - HA    ALA   84   1.95 +/- 0.04 100.000% *100.0000% (0.55   3.15  14.67) = 100.000%  kept
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2936 (0.10, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.752, support = 3.65, residual support = 30.8:
          QG2   VAL   83 - QB    ALA   84   3.86 +/- 0.55  68.718% * 41.1025% (0.66   3.56  41.30) =  60.709%  kept
          QD1   ILE   89 - QB    ALA   84   4.47 +/- 0.04  31.082% * 58.8136% (0.89   3.79  14.67) =  39.291%  kept
        T QD2   LEU   31 - QB    ALA   84  10.40 +/- 0.22   0.200% *  0.0839% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2937 (-0.06, 1.35, 18.25 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 4.06, residual support = 14.7:
          HG13  ILE   89 - QB    ALA   84   3.61 +/- 0.07 100.000% *100.0000% (0.55   4.06  14.67) = 100.000%  kept
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2938 (6.86, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 0.02, residual support = 0.02:
          QD    PHE   45 - QB    ALA   84   5.87 +/- 0.20  99.932% * 73.1356% (0.87   0.02   0.02) =  99.987%  kept
          HD2   HIS  122 - QB    ALA   84  20.98 +/- 0.29   0.048% * 14.2817% (0.17   0.02   0.02) =   0.009%
          HE22  GLN  116 - QB    ALA   84  24.48 +/- 0.63   0.020% * 12.5826% (0.15   0.02   0.02) =   0.003%
    Distance limit 4.04 A violated in 20 structures by 1.83 A, eliminated.
    Peak unassigned.
 
    Peak 2939 (6.64, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.655, support = 0.02, residual support = 0.02:
          HN    TRP   49 - QB    ALA   84   8.95 +/- 0.26  85.951% * 28.9138% (0.59   0.02   0.02) =  79.480%  kept
          HE22  GLN   30 - QB    ALA   84  12.22 +/- 0.70  13.824% * 46.0056% (0.93   0.02   0.02) =  20.340%  kept
          HD22  ASN   69 - QB    ALA   84  24.26 +/- 0.81   0.225% * 25.0806% (0.51   0.02   0.02) =   0.180%
    Distance limit 4.26 A violated in 20 structures by 4.47 A, eliminated.
    Peak unassigned.
 
    Peak 2940 (8.05, 3.96, 63.04 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 3.15, residual support = 18.0:
      O   HN    SER   85 - QB    SER   85   2.23 +/- 0.00  99.987% * 98.6335% (0.99   3.15  18.02) = 100.000%  kept
          HN    SER   85 - QB    SER   48  12.18 +/- 0.90   0.004% *  0.1526% (0.24   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   85  18.00 +/- 0.38   0.000% *  0.5479% (0.87   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   48  11.64 +/- 0.35   0.005% *  0.0343% (0.05   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   85  15.61 +/- 0.23   0.001% *  0.1406% (0.22   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER  117  13.25 +/- 0.30   0.002% *  0.0217% (0.03   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   48  20.92 +/- 0.65   0.000% *  0.1336% (0.21   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   85  20.51 +/- 0.33   0.000% *  0.1106% (0.18   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER  117  25.18 +/- 0.51   0.000% *  0.0845% (0.13   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER  117  26.29 +/- 0.39   0.000% *  0.0966% (0.15   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   48  21.40 +/- 0.75   0.000% *  0.0270% (0.04   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER  117  22.73 +/- 0.42   0.000% *  0.0171% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2941 (8.30, 3.96, 63.04 ppm):
    18 chemical-shift based assignments, quality = 0.867, support = 3.33, residual support = 13.4:
          HN    ASP-  86 - QB    SER   85   3.06 +/- 0.02  99.893% * 97.6189% (0.87   3.33  13.42) = 100.000%  kept
          HN    GLU-  29 - QB    SER   85  15.37 +/- 0.31   0.006% *  0.6621% (0.98   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   85  16.51 +/- 0.31   0.004% *  0.5409% (0.80   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER   48  13.90 +/- 0.89   0.013% *  0.1429% (0.21   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER  117  10.50 +/- 0.56   0.065% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER   48  18.22 +/- 0.69   0.002% *  0.1614% (0.24   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   48  17.88 +/- 0.78   0.003% *  0.1319% (0.20   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   48  14.83 +/- 1.41   0.009% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   85  22.19 +/- 0.31   0.001% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER  117  25.00 +/- 0.42   0.000% *  0.0835% (0.12   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   85  25.81 +/- 1.59   0.000% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER  117  18.87 +/- 0.61   0.002% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   85  28.23 +/- 1.51   0.000% *  0.1504% (0.22   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER  117  25.83 +/- 0.49   0.000% *  0.0904% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   48  22.86 +/- 1.59   0.001% *  0.0367% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER  117  26.89 +/- 0.44   0.000% *  0.1022% (0.15   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   48  21.98 +/- 0.74   0.001% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER  117  27.99 +/- 0.61   0.000% *  0.0232% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 2.73, residual support = 15.0:
      O   HN    SER  117 - QB    SER  117   2.20 +/- 0.09 100.000% * 90.4121% (0.12   2.73  14.98) = 100.000%  kept
          HN    GLY   16 - QB    SER   48  20.33 +/- 1.36   0.000% *  0.7405% (0.14   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   85  26.14 +/- 0.50   0.000% *  3.0367% (0.57   0.02   0.02) =   0.000%
          HN    SER  117 - QB    SER   85  27.72 +/- 0.29   0.000% *  4.2949% (0.80   0.02   0.02) =   0.000%
          HN    SER  117 - QB    SER   48  22.22 +/- 0.58   0.000% *  1.0473% (0.20   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER  117  21.36 +/- 0.53   0.000% *  0.4685% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2943 (8.05, 4.28, 61.37 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.65, residual support = 18.0:
      O   HN    SER   85 - HA    SER   85   2.82 +/- 0.00  99.996% * 99.3061% (0.99   3.65  18.02) = 100.000%  kept
          HN    THR   94 - HA    SER   85  16.29 +/- 0.32   0.003% *  0.1221% (0.22   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   85  21.48 +/- 0.53   0.001% *  0.4757% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   85  23.95 +/- 0.47   0.000% *  0.0960% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.52 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   2.56 +/- 0.50  99.994% * 98.1294% (0.95   3.56  41.59) = 100.000%  kept
          HN    GLN   30 - HB3   ASP-  86  16.47 +/- 0.74   0.002% *  0.5716% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   ASP-  86  15.40 +/- 0.82   0.003% *  0.3302% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASP-  86  21.45 +/- 0.71   0.001% *  0.2614% (0.45   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASP-  86  25.84 +/- 2.03   0.000% *  0.3068% (0.53   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASP-  86  30.85 +/- 1.75   0.000% *  0.4006% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2945 (8.32, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 5.0, residual support = 41.6:
      O   HN    ASP-  86 - HB2   ASP-  86   2.57 +/- 0.34  99.995% * 97.1189% (0.49   5.00  41.59) = 100.000%  kept
          HN    GLN   30 - HB2   ASP-  86  16.56 +/- 0.79   0.002% *  0.4520% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASP-  86  20.82 +/- 0.55   0.000% *  0.7370% (0.92   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   ASP-  86  15.69 +/- 0.79   0.002% *  0.1232% (0.15   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASP-  86  24.97 +/- 2.09   0.000% *  0.7705% (0.97   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASP-  86  30.74 +/- 1.77   0.000% *  0.7984% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2946 (7.73, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.408, support = 3.57, residual support = 22.4:
          HD1   TRP   87 - HB2   ASP-  86   3.28 +/- 0.12  90.095% * 38.7967% (0.38   3.60  22.41) =  85.695%  kept
          HE3   TRP   87 - HB2   ASP-  86   4.84 +/- 0.35   9.830% * 59.3550% (0.61   3.41  22.41) =  14.304%  kept
          HN    ALA   91 - HB2   ASP-  86  11.44 +/- 0.43   0.054% *  0.5432% (0.95   0.02   0.02) =   0.001%
          HN    TRP   27 - HB2   ASP-  86  13.53 +/- 0.69   0.021% *  0.5541% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   ASP-  86  23.97 +/- 0.29   0.001% *  0.5150% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASP-  86  24.44 +/- 0.47   0.001% *  0.2361% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2947 (3.83, 2.94, 40.49 ppm):
    9 chemical-shift based assignments, quality = 0.223, support = 2.25, residual support = 10.8:
        T HA    VAL   83 - HB2   ASP-  86   2.54 +/- 0.45  99.531% * 86.2245% (0.22   2.25  10.83) =  99.992%  kept
          HB3   SER   82 - HB2   ASP-  86   6.43 +/- 0.63   0.466% *  1.4153% (0.41   0.02   0.02) =   0.008%
          HA    GLN   30 - HB2   ASP-  86  19.00 +/- 0.79   0.001% *  3.3223% (0.97   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   ASP-  86  19.80 +/- 0.76   0.001% *  3.0874% (0.90   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   ASP-  86  20.32 +/- 0.95   0.001% *  3.1779% (0.92   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   ASP-  86  24.77 +/- 0.44   0.000% *  0.9572% (0.28   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB2   ASP-  86  23.36 +/- 0.58   0.000% *  0.6813% (0.20   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   ASP-  86  24.22 +/- 0.79   0.000% *  0.5312% (0.15   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   ASP-  86  29.25 +/- 1.47   0.000% *  0.6029% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.63 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   2.80 +/- 0.01  99.997% * 96.4709% (0.49   4.05  41.59) = 100.000%  kept
          HN    GLN   30 - HA    ASP-  86  18.81 +/- 0.59   0.001% *  0.5537% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    ASP-  86  23.59 +/- 0.55   0.000% *  0.9028% (0.92   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    ASP-  86  17.64 +/- 0.57   0.002% *  0.1509% (0.15   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    ASP-  86  27.90 +/- 2.08   0.000% *  0.9438% (0.97   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASP-  86  33.11 +/- 1.71   0.000% *  0.9780% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 3.44, residual support = 69.8:
          HE3   TRP   87 - HA    TRP   87   3.26 +/- 0.06  99.831% * 98.5341% (0.99   3.44  69.76) =  99.999%  kept
          HN    ALA   91 - HA    TRP   87   9.71 +/- 0.56   0.164% *  0.5008% (0.87   0.02   0.02) =   0.001%
          HN    TRP   27 - HA    TRP   87  17.69 +/- 0.64   0.004% *  0.3037% (0.53   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    TRP   87  25.14 +/- 0.29   0.000% *  0.5329% (0.92   0.02   0.02) =   0.000%
          HN    GLN   17 - HA    TRP   87  28.83 +/- 0.50   0.000% *  0.1285% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.14 A, kept.
 
    Peak 2950 (7.72, 3.41, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.15, residual support = 69.8:
      O   HE3   TRP   87 - HB2   TRP   87   2.49 +/- 0.01  99.959% * 98.4009% (0.99   3.15  69.76) = 100.000%  kept
          HN    ALA   91 - HB2   TRP   87   9.27 +/- 0.48   0.040% *  0.5463% (0.87   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   TRP   87  17.35 +/- 0.81   0.001% *  0.3313% (0.53   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   87  23.76 +/- 0.31   0.000% *  0.5813% (0.92   0.02   0.02) =   0.000%
          HN    GLN   17 - HB2   TRP   87  27.65 +/- 0.58   0.000% *  0.1402% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2951 (7.72, 2.50, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.973, support = 0.0196, residual support = 68.5:
      O   HE3   TRP   87 - HB3   TRP   87   4.04 +/- 0.01  97.894% * 28.0743% (0.99   0.02  69.76) =  98.161%  kept
          HN    ALA   91 - HB3   TRP   87   7.79 +/- 0.49   2.078% * 24.5699% (0.87   0.02   0.02) =   1.823%
          HN    TRP   27 - HB3   TRP   87  16.34 +/- 0.73   0.023% * 14.9024% (0.53   0.02   0.02) =   0.012%
          HN    ALA   61 - HB3   TRP   87  22.32 +/- 0.30   0.003% * 26.1473% (0.92   0.02   0.02) =   0.003%
          HN    GLN   17 - HB3   TRP   87  26.33 +/- 0.53   0.001% *  6.3061% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 20 structures by 0.74 A, eliminated.
    Peak unassigned.
 
    Peak 2952 (0.08, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 0.874, support = 2.2, residual support = 19.4:
          QD1   ILE   89 - HB2   TRP   87   3.32 +/- 0.16  95.936% * 61.9343% (0.90   2.25  19.88) =  97.505%  kept
          QG2   VAL   83 - HB2   TRP   87   5.82 +/- 0.44   4.042% * 37.6204% (1.00   1.23  13.65) =   2.495%
          QD2   LEU   31 - HB2   TRP   87  13.84 +/- 0.90   0.023% *  0.4453% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 3.87, residual support = 19.9:
        T QD1   ILE   89 - HB3   TRP   87   2.03 +/- 0.12  99.309% * 99.2267% (0.45   3.87  19.88) =  99.998%  kept
          QG2   VAL   83 - HB3   TRP   87   4.87 +/- 0.36   0.680% *  0.2547% (0.22   0.02  13.65) =   0.002%
          QG2   VAL   75 - HB3   TRP   87   9.59 +/- 0.46   0.011% *  0.3181% (0.28   0.02   0.02) =   0.000%
          QG2   VAL   42 - HB3   TRP   87  16.65 +/- 0.63   0.000% *  0.2004% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2954 (1.25, 2.50, 28.05 ppm):
    11 chemical-shift based assignments, quality = 0.223, support = 0.75, residual support = 19.9:
          HG12  ILE   89 - HB3   TRP   87   2.10 +/- 0.26  99.902% * 54.8868% (0.22   0.75  19.88) =  99.990%  kept
          QB    ALA   91 - HB3   TRP   87   8.56 +/- 1.29   0.094% *  5.7027% (0.87   0.02   0.02) =   0.010%
          HG2   LYS+  74 - HB3   TRP   87  15.62 +/- 0.54   0.001% *  5.8960% (0.90   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB3   TRP   87  13.93 +/- 0.41   0.001% *  2.7027% (0.41   0.02   0.02) =   0.000%
          QB    ALA   34 - HB3   TRP   87  17.27 +/- 0.91   0.001% *  1.6393% (0.25   0.02   0.02) =   0.000%
          QG2   THR   39 - HB3   TRP   87  21.52 +/- 0.93   0.000% *  5.7027% (0.87   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   TRP   87  22.58 +/- 0.53   0.000% *  6.5596% (1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - HB3   TRP   87  23.21 +/- 1.46   0.000% *  5.7027% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB3   TRP   87  24.55 +/- 0.91   0.000% *  6.0688% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB3   TRP   87  18.28 +/- 0.83   0.000% *  1.1513% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB3   TRP   87  26.95 +/- 1.48   0.000% *  3.9875% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2955 (7.84, 3.98, 52.68 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.63, residual support = 10.6:
      O   HN    ALA   88 - HA    ALA   88   2.28 +/- 0.02  99.999% * 91.1240% (0.38   1.63  10.64) = 100.000%  kept
          HN    LEU   31 - HA    ALA   88  20.71 +/- 0.65   0.000% *  2.5803% (0.87   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ALA   88  21.29 +/- 0.62   0.000% *  2.5803% (0.87   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ALA   88  20.09 +/- 0.75   0.000% *  1.3336% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ALA   88  26.77 +/- 0.34   0.000% *  2.3819% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2956 (7.84, 1.31, 16.77 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.81, residual support = 10.6:
      O   HN    ALA   88 - QB    ALA   88   2.54 +/- 0.04  99.997% * 91.9276% (0.38   1.81  10.64) = 100.000%  kept
          HN    PHE   55 - QB    ALA   88  18.22 +/- 0.54   0.001% *  2.3466% (0.87   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   88  18.90 +/- 0.63   0.001% *  2.3466% (0.87   0.02   0.02) =   0.000%
          HN    ARG+  54 - QB    ALA   88  17.36 +/- 0.63   0.001% *  1.2129% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA   88  23.27 +/- 0.31   0.000% *  2.1662% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 211.0:
          QD1   ILE   89 - HA    ILE   89   2.92 +/- 0.26  98.467% * 99.6619% (0.92   5.98 211.03) =  99.996%  kept
          QG2   VAL   83 - HA    ILE   89   5.92 +/- 0.36   1.525% *  0.2481% (0.69   0.02   0.14) =   0.004%
          QD2   LEU   31 - HA    ILE   89  14.14 +/- 0.85   0.008% *  0.0901% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2958 (8.62, 3.87, 59.74 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 6.14, residual support = 37.5:
      O   HN    GLN   90 - HA    ILE   89   2.22 +/- 0.03  99.987% * 99.4691% (0.99   6.14  37.52) = 100.000%  kept
          HN    SER   82 - HA    ILE   89  10.65 +/- 0.10   0.008% *  0.1466% (0.45   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    ILE   89  11.82 +/- 0.58   0.005% *  0.0909% (0.28   0.02   0.02) =   0.000%
          HN    ILE  103 - HA    ILE   89  20.52 +/- 1.01   0.000% *  0.2933% (0.90   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2959 (7.92, 3.87, 59.74 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.92, residual support = 211.0:
      O   HN    ILE   89 - HA    ILE   89   2.82 +/- 0.01  99.995% * 98.8609% (0.76   5.92 211.03) = 100.000%  kept
          HN    CYS   21 - HA    ILE   89  15.38 +/- 0.49   0.004% *  0.3919% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ILE   89  23.49 +/- 0.43   0.000% *  0.4134% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE   89  26.81 +/- 1.19   0.000% *  0.2474% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE   89  23.14 +/- 1.08   0.000% *  0.0865% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 0.922, support = 2.44, residual support = 8.35:
          HN    ALA   91 - HA    ILE   89   3.93 +/- 0.41  82.604% * 80.2565% (0.95   2.49   7.85) =  95.836%  kept
          HD1   TRP   87 - HA    ILE   89   5.19 +/- 0.17  16.171% * 17.7803% (0.38   1.39  19.88) =   4.156%  kept
          HE3   TRP   87 - HA    ILE   89   8.08 +/- 0.02   1.206% *  0.4135% (0.61   0.02  19.88) =   0.007%
          HN    TRP   27 - HA    ILE   89  16.86 +/- 0.68   0.014% *  0.6580% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE   89  20.48 +/- 0.37   0.004% *  0.6114% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE   89  26.90 +/- 0.99   0.001% *  0.2803% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2961 (0.10, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.732, support = 5.15, residual support = 202.7:
      O T QD1   ILE   89 - HB    ILE   89   3.00 +/- 0.08  79.174% * 84.9862% (0.74   5.31 211.03) =  96.040%  kept
          QG2   VAL   83 - HB    ILE   89   3.89 +/- 0.40  18.761% * 14.7867% (0.55   1.24   0.14) =   3.959%  kept
        T QD2   LEU   31 - HB    VAL   43   5.91 +/- 0.45   1.671% *  0.0189% (0.04   0.02   0.02) =   0.000%
          QG2   VAL   83 - HB    VAL   43   7.97 +/- 0.37   0.235% *  0.0520% (0.12   0.02   0.02) =   0.000%
        T QD1   ILE   89 - HB    VAL   43   8.84 +/- 0.58   0.141% *  0.0699% (0.16   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    ILE   89  12.19 +/- 0.54   0.019% *  0.0864% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2962 (-0.07, 1.74, 34.76 ppm):
    2 chemical-shift based assignments, quality = 0.785, support = 4.97, residual support = 211.0:
      O T HG13  ILE   89 - HB    ILE   89   2.23 +/- 0.02  99.995% * 99.9123% (0.78   4.97 211.03) = 100.000%  kept
        T HG13  ILE   89 - HB    VAL   43  11.76 +/- 0.63   0.005% *  0.0877% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 5.49, residual support = 211.0:
      O   HN    ILE   89 - HB    ILE   89   2.62 +/- 0.06  99.910% * 98.4318% (0.61   5.49 211.03) = 100.000%  kept
          HN    CYS   21 - HB    VAL   43   9.02 +/- 0.35   0.063% *  0.0919% (0.16   0.02   0.02) =   0.000%
          HN    CYS   21 - HB    ILE   89  12.84 +/- 0.34   0.007% *  0.4207% (0.72   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    VAL   43  14.17 +/- 0.54   0.004% *  0.0783% (0.13   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    VAL   43  15.01 +/- 0.27   0.003% *  0.0969% (0.17   0.02   0.02) =   0.000%
          HN    SER   37 - HB    VAL   43  14.75 +/- 0.52   0.003% *  0.0580% (0.10   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    VAL   43  12.60 +/- 0.56   0.009% *  0.0203% (0.03   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    ILE   89  23.44 +/- 0.23   0.000% *  0.4438% (0.76   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE   89  20.72 +/- 0.72   0.000% *  0.0928% (0.16   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE   89  24.72 +/- 0.71   0.000% *  0.2656% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2964 (5.61, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   ILE   89  11.95 +/- 0.27 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.57 A violated in 20 structures by 8.38 A, eliminated.
    Peak unassigned.
 
    Peak 2965 (7.75, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.945, support = 0.02, residual support = 19.9:
          HD1   TRP   87 - QG2   ILE   89   4.03 +/- 0.05  99.837% * 23.9067% (0.95   0.02  19.88) =  99.925%  kept
          HN    TRP   27 - QG2   ILE   89  12.32 +/- 0.71   0.133% *  8.6206% (0.34   0.02   0.02) =   0.048%
          HN    LYS+ 102 - QG2   ILE   89  17.57 +/- 0.73   0.015% * 20.2366% (0.80   0.02   0.02) =   0.013%
          HN    GLU-  36 - QG2   ILE   89  19.58 +/- 0.91   0.008% * 23.9067% (0.95   0.02   0.02) =   0.008%
          HN    THR   39 - QG2   ILE   89  20.29 +/- 0.72   0.006% * 23.3294% (0.92   0.02   0.02) =   0.006%
    Distance limit 3.62 A violated in 20 structures by 0.40 A, eliminated.
    Peak unassigned.
 
    Peak 2966 (8.63, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 6.99, residual support = 37.5:
          HN    GLN   90 - QG2   ILE   89   2.77 +/- 0.30  99.833% * 99.1592% (0.61   6.99  37.52) =  99.999%  kept
          HN    SER   82 - QG2   ILE   89   8.43 +/- 0.17   0.160% *  0.4319% (0.92   0.02   0.02) =   0.001%
          HN    ILE  103 - QG2   ILE   89  15.55 +/- 0.54   0.004% *  0.1923% (0.41   0.02   0.02) =   0.000%
          HN    GLY   16 - QG2   ILE   89  20.31 +/- 0.57   0.001% *  0.1444% (0.31   0.02   0.02) =   0.000%
          HN    SER  117 - QG2   ILE   89  17.93 +/- 0.21   0.002% *  0.0722% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2967 (3.06, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.953, support = 0.0197, residual support = 2.97:
        T HB2   PHE   45 - QG2   ILE   89   5.03 +/- 0.29  97.993% * 38.7738% (0.97   0.02   3.01) =  98.702%  kept
          HB2   CYS   21 - QG2   ILE   89  10.07 +/- 0.75   1.609% * 21.1381% (0.53   0.02   0.02) =   0.884%
          QE    LYS+ 111 - QG2   ILE   89  12.85 +/- 0.53   0.398% * 40.0881% (1.00   0.02   0.02) =   0.414%
    Distance limit 4.04 A violated in 19 structures by 1.00 A, eliminated.
    Peak unassigned.
 
    Peak 2968 (2.29, 0.63, 17.89 ppm):
    11 chemical-shift based assignments, quality = 0.242, support = 4.68, residual support = 31.7:
          QG    GLN   90 - QG2   ILE   89   4.28 +/- 0.20  51.634% * 76.9213% (0.15   5.49  37.52) =  84.600%  kept
          HG2   MET   92 - QG2   ILE   89   5.33 +/- 2.30  46.110% * 15.6368% (0.73   0.24   0.02) =  15.358%  kept
          HB2   GLU-  79 - QG2   ILE   89   7.94 +/- 0.50   1.533% *  1.0282% (0.57   0.02   0.02) =   0.034%
          HB2   ASP-  44 - QG2   ILE   89   9.78 +/- 0.41   0.392% *  0.5049% (0.28   0.02   0.02) =   0.004%
          QG    GLU- 114 - QG2   ILE   89  12.37 +/- 0.30   0.081% *  1.1748% (0.65   0.02   0.02) =   0.002%
          HG2   PRO   52 - QG2   ILE   89  10.86 +/- 1.23   0.195% *  0.4043% (0.22   0.02   0.02) =   0.002%
          HB3   PHE   72 - QG2   ILE   89  14.55 +/- 0.90   0.038% *  0.3594% (0.20   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE   89  19.23 +/- 1.05   0.006% *  0.6816% (0.38   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG2   ILE   89  22.13 +/- 0.93   0.003% *  1.3188% (0.73   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE   89  20.12 +/- 1.50   0.006% *  0.4528% (0.25   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE   89  26.53 +/- 1.75   0.001% *  1.5169% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 6 structures by 0.17 A, kept.
 
    Peak 2969 (2.44, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 0.639, support = 0.0667, residual support = 2.11:
        T HB3   PHE   45 - QG2   ILE   89   3.91 +/- 0.31  97.252% *  3.9856% (0.49   0.02   3.01) =  69.993%  kept
          HB3   ASP-  86 - QG2   ILE   89   7.50 +/- 0.38   2.280% * 72.3785% (1.00   0.18   0.02) =  29.793%  kept
          HG3   MET   96 - QG2   ILE   89  10.77 +/- 0.57   0.234% *  2.7931% (0.34   0.02   0.02) =   0.118%
          HB    VAL  107 - QG2   ILE   89  11.49 +/- 0.59   0.169% *  1.2634% (0.15   0.02   0.02) =   0.038%
          QE    LYS+ 112 - QG2   ILE   89  14.55 +/- 0.46   0.040% *  3.9856% (0.49   0.02   0.02) =   0.029%
          HG2   GLU-  29 - QG2   ILE   89  17.85 +/- 0.72   0.011% *  7.9022% (0.97   0.02   0.02) =   0.016%
          HB3   ASP-  62 - QG2   ILE   89  18.10 +/- 0.28   0.010% *  6.2577% (0.76   0.02   0.02) =   0.012%
          HG2   GLU-  36 - QG2   ILE   89  21.47 +/- 1.22   0.004% *  1.4340% (0.18   0.02   0.02) =   0.001%
    Distance limit 3.90 A violated in 2 structures by 0.10 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2970 (1.34, 0.63, 17.89 ppm):
    12 chemical-shift based assignments, quality = 0.472, support = 2.19, residual support = 13.9:
          QB    ALA   84 - QG2   ILE   89   3.57 +/- 0.11  90.323% * 42.3386% (0.49   2.03  14.67) =  91.554%  kept
          QB    ALA   88 - QG2   ILE   89   5.50 +/- 0.05   6.895% * 50.8575% (0.31   3.85   5.60) =   8.395%  kept
          HB3   LEU   80 - QG2   ILE   89   6.98 +/- 0.67   2.027% *  0.8480% (0.99   0.02   0.02) =   0.041%
          HB3   PRO   93 - QG2   ILE   89   8.61 +/- 0.22   0.462% *  0.3836% (0.45   0.02   0.02) =   0.004%
          HB3   ASP-  44 - QG2   ILE   89  10.14 +/- 0.35   0.174% *  0.7421% (0.87   0.02   0.02) =   0.003%
          HG2   LYS+ 111 - QG2   ILE   89  13.11 +/- 0.53   0.039% *  0.8257% (0.97   0.02   0.02) =   0.001%
          HB2   LEU   31 - QG2   ILE   89  14.18 +/- 0.86   0.024% *  0.8480% (0.99   0.02   0.02) =   0.000%
          HG    LEU   98 - QG2   ILE   89  13.44 +/- 1.23   0.036% *  0.5189% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   ILE   89  15.49 +/- 0.38   0.014% *  0.8093% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   ILE   89  19.79 +/- 0.71   0.003% *  0.6538% (0.76   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   ILE   89  20.67 +/- 0.53   0.002% *  0.6212% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   ILE   89  21.69 +/- 0.87   0.002% *  0.5535% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2971 (-0.07, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.67, residual support = 211.0:
      O T HG13  ILE   89 - QG2   ILE   89   2.90 +/- 0.11 100.000% *100.0000% (0.98   5.67 211.03) = 100.000%  kept
    Distance limit 3.23 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 = 6.29, residual support = 211.0:
        T QD1   ILE   89 - QG2   ILE   89   1.72 +/- 0.04  98.992% * 99.6786% (0.92   6.29 211.03) =  99.998%  kept
        T QG2   VAL   83 - QG2   ILE   89   3.78 +/- 0.32   1.005% *  0.2358% (0.69   0.02   0.14) =   0.002%
          QD2   LEU   31 - QG2   ILE   89  10.06 +/- 0.71   0.003% *  0.0856% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2973 (0.10, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 5.42, residual support = 211.0:
      O T QD1   ILE   89 - HG12  ILE   89   2.16 +/- 0.00  97.804% * 99.3283% (0.92   5.42 211.03) =  99.994%  kept
          QG2   VAL   83 - HG12  ILE   89   4.22 +/- 0.44   2.186% *  0.2729% (0.69   0.02   0.14) =   0.006%
          QD2   LEU   31 - HG3   LYS+  99  11.01 +/- 1.10   0.007% *  0.0402% (0.10   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG12  ILE   89  12.90 +/- 0.85   0.002% *  0.0991% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG3   LYS+  99  17.68 +/- 0.69   0.000% *  0.1107% (0.28   0.02   0.02) =   0.000%
        T QD1   ILE   89 - HG3   LYS+  99  18.85 +/- 0.73   0.000% *  0.1488% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 5.1, residual support = 211.0:
      O T HG13  ILE   89 - HG12  ILE   89   1.75 +/- 0.00 100.000% * 99.8412% (0.98   5.10 211.03) = 100.000%  kept
        T HG13  ILE   89 - HG3   LYS+  99  23.87 +/- 0.89   0.000% *  0.1588% (0.40   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 0.903, support = 5.03, residual support = 198.6:
      O T QD1   ILE   89 - HG13  ILE   89   2.16 +/- 0.00  79.505% * 80.3102% (0.90   5.27 211.03) =  94.126%  kept
          QG2   VAL   83 - HG13  ILE   89   2.81 +/- 0.37  20.492% * 19.4432% (1.00   1.15   0.14) =   5.874%  kept
          QD2   LEU   31 - HG13  ILE   89  11.58 +/- 0.81   0.004% *  0.2466% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 5.67, residual support = 211.0:
      O T QG2   ILE   89 - HG13  ILE   89   2.90 +/- 0.11  92.513% * 99.9061% (0.84   5.67 211.03) =  99.992%  kept
          QG1   VAL   83 - HG13  ILE   89   4.99 +/- 0.70   7.487% *  0.0939% (0.22   0.02   0.14) =   0.008%
    Distance limit 3.57 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 = 211.0:
      O T HB    ILE   89 - HG13  ILE   89   2.23 +/- 0.02  99.975% * 98.8347% (0.49   4.97 211.03) = 100.000%  kept
          QD    LYS+  81 - HG13  ILE   89   9.44 +/- 0.65   0.020% *  0.3356% (0.41   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG13  ILE   89  11.76 +/- 0.63   0.005% *  0.3973% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG13  ILE   89  22.61 +/- 0.72   0.000% *  0.3064% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG13  ILE   89  22.62 +/- 0.76   0.000% *  0.1260% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 5.44, residual support = 211.0:
          HN    ILE   89 - HG13  ILE   89   2.64 +/- 0.21  99.991% * 98.7626% (0.76   5.44 211.03) = 100.000%  kept
          HN    CYS   21 - HG13  ILE   89  13.43 +/- 0.64   0.008% *  0.4257% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HG13  ILE   89  23.78 +/- 0.25   0.000% *  0.4490% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG13  ILE   89  19.95 +/- 1.07   0.001% *  0.0939% (0.20   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE   89  23.83 +/- 1.06   0.000% *  0.2687% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2979 (7.92, 1.22, 26.04 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 5.63, residual support = 211.0:
          HN    ILE   89 - HG12  ILE   89   1.92 +/- 0.02  99.988% * 98.1849% (0.76   5.63 211.03) = 100.000%  kept
          HN    SER   37 - HG3   LYS+  99   9.42 +/- 1.21   0.010% *  0.1049% (0.23   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE   89  15.00 +/- 0.59   0.000% *  0.4096% (0.90   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG3   LYS+  99  12.94 +/- 1.35   0.001% *  0.0367% (0.08   0.02   0.02) =   0.000%
          HN    ILE  119 - HG3   LYS+  99  16.73 +/- 0.45   0.000% *  0.1752% (0.38   0.02   0.02) =   0.000%
          HN    CYS   21 - HG3   LYS+  99  18.95 +/- 1.38   0.000% *  0.1661% (0.36   0.02   0.02) =   0.000%
          HN    ILE  119 - HG12  ILE   89  24.17 +/- 0.23   0.000% *  0.4321% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE   89  25.29 +/- 1.15   0.000% *  0.2586% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG12  ILE   89  21.54 +/- 1.14   0.000% *  0.0904% (0.20   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  26.40 +/- 0.84   0.000% *  0.1416% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2980 (-0.07, 0.09, 50.60 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.27, residual support = 211.0:
      O T HG13  ILE   89 - QD1   ILE   89   2.16 +/- 0.00 100.000% *100.0000% (0.98   5.27 211.03) = 100.000%  kept
    Distance limit 2.60 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 = 6.29, residual support = 211.0:
        T QG2   ILE   89 - QD1   ILE   89   1.72 +/- 0.04  99.711% * 99.9153% (0.84   6.29 211.03) = 100.000%  kept
        T QG1   VAL   83 - QD1   ILE   89   4.93 +/- 0.53   0.289% *  0.0847% (0.22   0.02   0.14) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2982 (1.22, 0.09, 50.60 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.42, residual support = 211.0:
      O T HG12  ILE   89 - QD1   ILE   89   2.16 +/- 0.00  99.990% * 98.7795% (1.00   5.42 211.03) = 100.000%  kept
          HG2   LYS+  74 - QD1   ILE   89  10.68 +/- 0.48   0.007% *  0.1779% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   89  13.76 +/- 0.67   0.002% *  0.3583% (0.98   0.02   0.02) =   0.000%
          HG    LEU   71 - QD1   ILE   89  17.37 +/- 1.28   0.000% *  0.1923% (0.53   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD1   ILE   89  17.20 +/- 0.97   0.000% *  0.1247% (0.34   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD1   ILE   89  16.72 +/- 0.53   0.000% *  0.1016% (0.28   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD1   ILE   89  18.85 +/- 0.73   0.000% *  0.1639% (0.45   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   ILE   89  18.65 +/- 0.47   0.000% *  0.1016% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.83 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 = 211.0:
      O T HB    ILE   89 - QD1   ILE   89   3.00 +/- 0.08  99.710% * 98.9082% (0.49   5.31 211.03) =  99.999%  kept
        T HB    VAL   43 - QD1   ILE   89   8.84 +/- 0.58   0.182% *  0.3723% (0.49   0.02   0.02) =   0.001%
          QD    LYS+  81 - QD1   ILE   89   9.61 +/- 0.56   0.103% *  0.3144% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD1   ILE   89  17.66 +/- 0.61   0.003% *  0.2870% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   89  17.69 +/- 0.68   0.003% *  0.1180% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.528, support = 0.0196, residual support = 0.0196:
        T HB3   MET   96 - QD1   ILE   89   8.34 +/- 0.37  93.744% * 15.0865% (0.53   0.02   0.02) =  92.032%  kept
          HB3   ARG+  54 - QD1   ILE   89  16.14 +/- 0.69   1.907% * 24.8734% (0.87   0.02   0.02) =   3.087%  kept
          HB    VAL   18 - QD1   ILE   89  15.27 +/- 0.58   2.527% * 17.3922% (0.61   0.02   0.02) =   2.860%  kept
          HB2   LEU   40 - QD1   ILE   89  18.20 +/- 0.64   0.871% * 25.7165% (0.90   0.02   0.02) =   1.457%
          HB2   LEU   67 - QD1   ILE   89  18.85 +/- 0.48   0.708% *  9.7812% (0.34   0.02   0.02) =   0.451%
          HB3   GLU-  14 - QD1   ILE   89  22.76 +/- 1.51   0.243% *  7.1501% (0.25   0.02   0.02) =   0.113%
    Distance limit 3.61 A violated in 20 structures by 4.67 A, eliminated.
    Peak unassigned.
 
    Peak 2985 (2.49, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.87, residual support = 19.9:
        T HB3   TRP   87 - QD1   ILE   89   2.03 +/- 0.12  99.991% * 99.1624% (0.76   3.87  19.88) = 100.000%  kept
          HG3   MET   96 - QD1   ILE   89  10.02 +/- 0.58   0.009% *  0.0908% (0.14   0.02   0.02) =   0.000%
          HG3   GLN  116 - QD1   ILE   89  20.20 +/- 0.37   0.000% *  0.5603% (0.84   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QD1   ILE   89  20.62 +/- 1.20   0.000% *  0.1865% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 0.496, support = 0.02, residual support = 0.02:
          HA    PHE   60 - QD1   ILE   89  15.04 +/- 0.26  57.115% * 62.4025% (0.57   0.02   0.02) =  68.852%  kept
          HB    THR  118 - QD1   ILE   89  15.78 +/- 0.18  42.885% * 37.5975% (0.34   0.02   0.02) =  31.148%  kept
    Distance limit 2.97 A violated in 20 structures by 10.73 A, eliminated.
    Peak unassigned.
 
    Peak 2987 (6.84, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 0.834, residual support = 3.01:
          QD    PHE   45 - QD1   ILE   89   3.75 +/- 0.15  99.985% * 88.9880% (0.45   0.83   3.01) =  99.999%  kept
          HD2   HIS  122 - QD1   ILE   89  17.77 +/- 0.33   0.009% *  4.7199% (0.99   0.02   0.02) =   0.000%
          HE22  GLN  116 - QD1   ILE   89  21.84 +/- 0.50   0.003% *  4.6677% (0.98   0.02   0.02) =   0.000%
          HE22  GLN   17 - QD1   ILE   89  21.32 +/- 0.87   0.003% *  1.6244% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2988 (7.69, 0.09, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.925, support = 2.46, residual support = 19.9:
          HN    TRP   87 - QD1   ILE   89   3.95 +/- 0.06  80.093% * 79.0777% (0.97   2.48  19.88) =  94.190%  kept
          HE3   TRP   87 - QD1   ILE   89   4.99 +/- 0.14  19.898% * 19.6343% (0.28   2.13  19.88) =   5.810%  kept
          HN    GLN   17 - QD1   ILE   89  19.67 +/- 0.49   0.005% *  0.6619% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - QD1   ILE   89  22.26 +/- 1.05   0.003% *  0.6261% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2989 (7.92, 0.09, 50.60 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.81, residual support = 211.0:
          HN    ILE   89 - QD1   ILE   89   3.59 +/- 0.02  99.883% * 98.8399% (0.76   5.81 211.03) = 100.000%  kept
          HN    CYS   21 - QD1   ILE   89  11.50 +/- 0.48   0.096% *  0.3991% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - QD1   ILE   89  18.21 +/- 0.20   0.006% *  0.4210% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE   89  19.56 +/- 0.97   0.004% *  0.2520% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE   89  16.70 +/- 0.96   0.011% *  0.0881% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 6.12, residual support = 95.2:
          HN    GLN   90 - QG    GLN   90   2.81 +/- 0.54  99.978% * 99.2834% (0.69   6.12  95.25) = 100.000%  kept
          HN    GLY  109 - QG    GLN   90  12.69 +/- 0.65   0.021% *  0.3245% (0.69   0.02   0.02) =   0.000%
          HN    ILE  103 - QG    GLN   90  21.90 +/- 0.81   0.001% *  0.3920% (0.83   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2991 (8.62, 1.87, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.68, residual support = 95.2:
      O   HN    GLN   90 - HB3   GLN   90   2.91 +/- 0.22  99.973% * 99.4269% (0.83   5.68  95.25) = 100.000%  kept
          HN    SER   82 - HB3   GLN   90  13.07 +/- 0.39   0.014% *  0.1583% (0.37   0.02   0.02) =   0.000%
          HN    GLY  109 - HB3   GLN   90  13.07 +/- 0.72   0.013% *  0.0982% (0.23   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLN   90  24.37 +/- 0.87   0.000% *  0.3167% (0.75   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2992 (8.04, 2.15, 31.73 ppm):
    8 chemical-shift based assignments, quality = 0.161, support = 3.85, residual support = 53.7:
      O   HN    GLU-  79 - HB3   GLU-  79   2.99 +/- 0.28  99.513% * 91.8687% (0.16   3.85  53.74) =  99.994%  kept
          HN    SER   85 - HB3   GLU-  79   8.81 +/- 0.26   0.178% *  1.3126% (0.44   0.02   0.02) =   0.003%
          HN    SER   85 - HB2   GLN   90   9.87 +/- 0.26   0.086% *  1.8137% (0.61   0.02   0.02) =   0.002%
          HN    GLU-  79 - HB2   GLN   90   8.95 +/- 0.62   0.176% *  0.6598% (0.22   0.02   0.02) =   0.001%
          HN    THR   94 - HB2   GLN   90  12.17 +/- 0.64   0.025% *  1.6302% (0.55   0.02   0.02) =   0.000%
          HN    THR   94 - HB3   GLU-  79  13.00 +/- 0.35   0.016% *  1.1798% (0.40   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  16.10 +/- 0.39   0.005% *  0.6446% (0.22   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  25.20 +/- 0.59   0.000% *  0.8907% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 4.15, residual support = 53.7:
      O T HA    GLU-  79 - HB3   GLU-  79   2.92 +/- 0.13  95.793% * 92.5585% (0.57   4.15  53.74) =  99.976%  kept
          HB    THR   77 - HB2   GLN   90   5.07 +/- 0.23   3.741% *  0.5040% (0.64   0.02   0.02) =   0.021%
          HB    THR   77 - HB3   GLU-  79   8.17 +/- 0.32   0.216% *  0.3647% (0.46   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   GLN   90   9.09 +/- 0.30   0.110% *  0.5040% (0.64   0.02   0.02) =   0.001%
        T HA    GLU-  79 - HB2   GLN   90  10.39 +/- 0.81   0.055% *  0.6169% (0.78   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  11.10 +/- 0.24   0.033% *  0.3647% (0.46   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  12.37 +/- 0.77   0.018% *  0.5459% (0.69   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  12.50 +/- 0.31   0.016% *  0.3307% (0.42   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  15.08 +/- 0.46   0.005% *  0.4570% (0.58   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  15.13 +/- 0.51   0.005% *  0.2579% (0.33   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  16.98 +/- 0.38   0.003% *  0.3563% (0.45   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  17.35 +/- 0.59   0.002% *  0.3951% (0.50   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  21.00 +/- 0.58   0.001% *  0.4085% (0.52   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  23.98 +/- 0.79   0.000% *  0.5644% (0.72   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  23.70 +/- 0.52   0.000% *  0.4309% (0.55   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  30.67 +/- 0.57   0.000% *  0.5954% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  28.72 +/- 3.04   0.000% *  0.3129% (0.40   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  38.86 +/- 2.85   0.000% *  0.4323% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.675, support = 0.02, residual support = 0.02:
          QB    ALA   88 - QG    GLN   90   3.91 +/- 0.44  83.098% * 26.0896% (0.62   0.02   0.02) =  77.554%  kept
          QG2   THR   77 - QG    GLN   90   5.45 +/- 0.59  16.825% * 37.2292% (0.88   0.02   0.02) =  22.407%  kept
          QG2   THR   23 - QG    GLN   90  12.77 +/- 0.84   0.075% * 14.2548% (0.34   0.02   0.02) =   0.038%
          HG2   LYS+  99 - QG    GLN   90  26.57 +/- 0.87   0.001% *  9.4707% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG    GLN   90  28.44 +/- 0.95   0.001% * 12.9557% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 6 structures by 0.25 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2995 (1.53, 2.27, 34.07 ppm):
    10 chemical-shift based assignments, quality = 0.322, support = 0.0195, residual support = 0.0195:
          QG    LYS+  81 - QG    GLN   90   8.04 +/- 0.66  93.365% *  3.4351% (0.18   0.02   0.02) =  76.802%  kept
          HD3   LYS+  74 - QG    GLN   90  14.00 +/- 1.00   3.694% * 17.3194% (0.89   0.02   0.02) =  15.319%  kept
          HB3   LYS+ 111 - QG    GLN   90  16.90 +/- 0.74   1.299% * 17.3580% (0.90   0.02   0.02) =   5.398%  kept
          HG    LEU  104 - QG    GLN   90  23.83 +/- 0.72   0.148% * 17.0143% (0.88   0.02   0.02) =   0.604%
          HB3   LYS+ 121 - QG    GLN   90  24.27 +/- 0.58   0.135% * 17.0143% (0.88   0.02   0.02) =   0.549%
          HG2   LYS+ 106 - QG    GLN   90  17.91 +/- 1.13   0.844% *  2.6782% (0.14   0.02   0.02) =   0.542%
          QD    LYS+  66 - QG    GLN   90  24.69 +/- 1.32   0.125% *  9.8273% (0.51   0.02   0.02) =   0.294%
          HG2   LYS+  33 - QG    GLN   90  23.85 +/- 0.91   0.143% *  8.4490% (0.44   0.02   0.02) =   0.289%
          HD2   LYS+ 121 - QG    GLN   90  24.80 +/- 1.09   0.119% *  3.8645% (0.20   0.02   0.02) =   0.110%
          HG2   LYS+  65 - QG    GLN   90  24.39 +/- 0.62   0.129% *  3.0399% (0.16   0.02   0.02) =   0.094%
    Distance limit 3.77 A violated in 20 structures by 4.20 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 = 63.6:
      O   HG3   MET   92 - HB2   MET   92   2.36 +/- 0.11  99.857% * 94.9153% (0.73   2.96  63.65) =  99.999%  kept
        T QG    GLN   90 - HB2   MET   92   7.78 +/- 1.23   0.117% *  0.7079% (0.80   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HB2   MET   92  10.94 +/- 1.11   0.011% *  0.5362% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   MET   92  11.17 +/- 1.78   0.011% *  0.1548% (0.18   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   MET   92  17.40 +/- 0.76   0.001% *  0.8821% (1.00   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   MET   92  17.37 +/- 1.46   0.001% *  0.6419% (0.73   0.02   0.02) =   0.000%
        T HB2   ASP- 105 - HB2   MET   92  15.94 +/- 0.32   0.001% *  0.3016% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   MET   92  22.40 +/- 2.56   0.000% *  0.7384% (0.84   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   MET   92  23.47 +/- 1.96   0.000% *  0.4303% (0.49   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   MET   92  25.09 +/- 1.51   0.000% *  0.5719% (0.65   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   MET   92  26.01 +/- 1.02   0.000% *  0.1196% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 63.6:
      O   HN    MET   92 - HB2   MET   92   2.51 +/- 0.33  99.553% * 98.6296% (0.92   3.94  63.65) =  99.998%  kept
          HN    THR   46 - HB2   MET   92   7.43 +/- 1.62   0.436% *  0.5415% (1.00   0.02   0.02) =   0.002%
          HN    LYS+  74 - HB2   MET   92  14.39 +/- 1.79   0.005% *  0.4346% (0.80   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   MET   92  12.92 +/- 1.89   0.006% *  0.1509% (0.28   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   MET   92  36.79 +/- 3.24   0.000% *  0.2433% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 63.6:
      O T HA    MET   92 - HB2   MET   92   3.03 +/- 0.05  99.997% * 98.9770% (0.61   3.87  63.65) = 100.000%  kept
          HA    VAL   41 - HB2   MET   92  18.43 +/- 1.31   0.002% *  0.3471% (0.41   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   MET   92  22.30 +/- 0.43   0.001% *  0.6760% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 3.23, residual support = 63.6:
      O   HG3   MET   92 - HB3   MET   92   2.94 +/- 0.11  99.577% * 95.3284% (0.73   3.23  63.65) =  99.997%  kept
          QG    GLN   90 - HB3   MET   92   8.63 +/- 1.24   0.343% *  0.6504% (0.80   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HB3   MET   92  10.74 +/- 0.53   0.043% *  0.4926% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   92  12.06 +/- 0.86   0.023% *  0.1422% (0.18   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   MET   92  16.35 +/- 1.11   0.004% *  0.8104% (1.00   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   MET   92  14.99 +/- 0.54   0.006% *  0.2771% (0.34   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   MET   92  17.21 +/- 1.13   0.003% *  0.5898% (0.73   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   MET   92  23.01 +/- 1.78   0.000% *  0.6784% (0.84   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   MET   92  23.42 +/- 1.36   0.000% *  0.3953% (0.49   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   MET   92  25.24 +/- 1.38   0.000% *  0.5254% (0.65   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   92  25.67 +/- 0.88   0.000% *  0.1099% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 4.16, residual support = 63.6:
      O T HA    MET   92 - HB3   MET   92   2.68 +/- 0.12  99.999% * 99.0487% (0.61   4.16  63.65) = 100.000%  kept
          HA    VAL   41 - HB3   MET   92  18.27 +/- 0.86   0.001% *  0.3227% (0.41   0.02   0.02) =   0.000%
          HA    HIS  122 - HB3   MET   92  21.43 +/- 0.70   0.000% *  0.6286% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 63.6:
      O T HA    MET   92 - HG2   MET   92   2.37 +/- 0.19 100.000% * 98.4188% (0.61   2.49  63.65) = 100.000%  kept
          HA    VAL   41 - HG2   MET   92  20.44 +/- 0.78   0.000% *  0.5364% (0.41   0.02   0.02) =   0.000%
          HA    HIS  122 - HG2   MET   92  23.62 +/- 0.77   0.000% *  1.0448% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 0.308, support = 0.0197, residual support = 3.22:
          HB2   SER   37 - QG2   THR   39   4.59 +/- 1.32  95.738% * 10.7941% (0.30   0.02   3.48) =  92.521%  kept
          HA1   GLY   16 - QG2   THR   39   9.05 +/- 1.53   2.944% * 21.7367% (0.60   0.02   0.02) =   5.729%  kept
          HA    LYS+  66 - QG2   THR   39  11.00 +/- 0.80   1.023% * 16.6488% (0.46   0.02   0.02) =   1.525%
          HA1   GLY   16 - QG2   THR   23  18.63 +/- 0.35   0.075% * 12.1974% (0.33   0.02   0.02) =   0.082%
          HB2   SER   37 - QG2   THR   23  18.50 +/- 0.67   0.120% *  6.0571% (0.17   0.02   0.02) =   0.065%
          HA1   GLY   16 - QB    ALA   91  21.58 +/- 0.60   0.036% * 10.2645% (0.28   0.02   0.02) =   0.033%
          HA    LYS+  66 - QB    ALA   91  21.98 +/- 0.28   0.030% *  7.8619% (0.22   0.02   0.02) =   0.021%
          HA    LYS+  66 - QG2   THR   23  23.28 +/- 0.33   0.020% *  9.3424% (0.26   0.02   0.02) =   0.016%
          HB2   SER   37 - QB    ALA   91  24.62 +/- 1.03   0.015% *  5.0972% (0.14   0.02   0.02) =   0.007%
    Distance limit 3.45 A violated in 18 structures by 1.18 A, eliminated.
    Peak unassigned.
 
    Peak 3003 (8.45, 1.69, 34.43 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.23, residual support = 63.6:
      O   HN    MET   92 - HB3   MET   92   3.62 +/- 0.23  98.668% * 99.3114% (0.92   4.23  63.65) =  99.995%  kept
          HN    THR   46 - HB3   MET   92   7.92 +/- 0.77   1.259% *  0.3884% (0.76   0.02   0.02) =   0.005%
          HN    ASP- 113 - HB3   MET   92  13.50 +/- 1.83   0.046% *  0.1267% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   MET   92  14.71 +/- 0.92   0.027% *  0.1734% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 0.758, support = 0.0196, residual support = 0.0196:
          HA    THR   46 - HB3   MET   92   6.60 +/- 0.47  79.895% * 16.4223% (0.80   0.02   0.02) =  93.642%  kept
          HA    GLN   90 - HB3   MET   92   8.60 +/- 0.34  17.346% *  3.5917% (0.18   0.02   0.02) =   4.446%  kept
          HA    VAL   42 - HB3   MET   92  14.48 +/- 0.71   0.748% * 18.3930% (0.90   0.02   0.02) =   0.981%
          HA    PHE   55 - HB3   MET   92  13.79 +/- 1.50   1.418% *  6.3300% (0.31   0.02   0.02) =   0.640%
          HA    PRO   58 - HB3   MET   92  16.48 +/- 0.89   0.379% *  5.1139% (0.25   0.02   0.02) =   0.138%
          HA    GLN   17 - HB3   MET   92  21.06 +/- 0.62   0.079% * 17.7900% (0.87   0.02   0.02) =   0.100%
          HA    LEU   40 - HB3   MET   92  20.59 +/- 0.81   0.090% *  3.1644% (0.15   0.02   0.02) =   0.020%
          HA    SER   37 - HB3   MET   92  28.32 +/- 1.02   0.013% * 17.7900% (0.87   0.02   0.02) =   0.017%
          HA    GLU-  15 - HB3   MET   92  25.22 +/- 0.74   0.027% *  5.7022% (0.28   0.02   0.02) =   0.011%
          HA    SER   13 - HB3   MET   92  31.91 +/- 0.83   0.007% *  5.7022% (0.28   0.02   0.02) =   0.003%
    Distance limit 4.25 A violated in 20 structures by 2.13 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 = 63.6:
      O T HA    MET   92 - HG3   MET   92   3.24 +/- 0.46  99.965% * 99.5972% (0.99   3.97  63.65) = 100.000%  kept
          HA    LYS+  74 - HG3   MET   92  13.55 +/- 1.16   0.034% *  0.2465% (0.49   0.02   0.02) =   0.000%
          HA    HIS  122 - HG3   MET   92  23.97 +/- 0.79   0.001% *  0.1563% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 63.6:
          HN    MET   92 - HG3   MET   92   3.74 +/- 0.37  98.934% * 99.2793% (0.92   4.04  63.65) =  99.996%  kept
          HN    THR   46 - HG3   MET   92   8.84 +/- 1.04   1.018% *  0.4066% (0.76   0.02   0.02) =   0.004%
          HN    LYS+  74 - HG3   MET   92  15.94 +/- 1.38   0.026% *  0.1815% (0.34   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG3   MET   92  15.47 +/- 2.04   0.022% *  0.1327% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3007 (6.88, 2.06, 34.10 ppm):
    4 chemical-shift based assignments, quality = 0.408, support = 0.0199, residual support = 0.0199:
          QD    PHE   45 - HB2   PRO   93   7.28 +/- 0.57  95.108% * 67.4545% (0.41   0.02   0.02) =  99.356%  kept
          HN    LYS+  65 - HB2   PRO   93  15.88 +/- 0.30   0.935% * 25.3164% (0.15   0.02   0.02) =   0.366%
          QD    PHE   45 - HG3   GLN   30  13.22 +/- 0.63   3.089% *  5.2564% (0.03   0.02   0.02) =   0.251%
          HN    LYS+  65 - HG3   GLN   30  16.36 +/- 1.07   0.868% *  1.9728% (0.01   0.02   0.02) =   0.027%
    Distance limit 4.35 A violated in 20 structures by 2.93 A, eliminated.
    Peak unassigned.
 
    Peak 3008 (8.03, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.39, residual support = 15.5:
      O   HN    THR   94 - HB2   PRO   93   4.18 +/- 0.14  99.682% * 99.4580% (1.00   4.39  15.48) =  99.999%  kept
          HN    GLU-  79 - HB2   PRO   93  11.68 +/- 0.84   0.219% *  0.3299% (0.73   0.02   0.02) =   0.001%
          HN    SER   85 - HB2   PRO   93  16.61 +/- 0.57   0.025% *  0.1402% (0.31   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG3   GLN   30  15.39 +/- 0.72   0.043% *  0.0257% (0.06   0.02   0.02) =   0.000%
          HN    THR   94 - HG3   GLN   30  17.74 +/- 0.68   0.018% *  0.0353% (0.08   0.02   0.02) =   0.000%
          HN    SER   85 - HG3   GLN   30  18.64 +/- 0.81   0.013% *  0.0109% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 0.0199, residual support = 0.0199:
          QD    PHE   45 - HG2   PRO   93   8.62 +/- 0.31  98.611% * 72.7108% (0.41   0.02   0.02) =  99.474%  kept
          HN    LYS+  65 - HG2   PRO   93  17.68 +/- 0.91   1.389% * 27.2892% (0.15   0.02   0.02) =   0.526%
    Distance limit 4.19 A violated in 20 structures by 4.43 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 = 131.8:
      O   HB2   PRO   93 - HG3   PRO   93   2.31 +/- 0.00  99.963% * 97.5185% (0.84   5.30 131.75) = 100.000%  kept
          HB2   ARG+  54 - HG3   PRO   93   9.41 +/- 0.87   0.026% *  0.4394% (1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   PRO   93  10.79 +/- 0.32   0.010% *  0.4394% (1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   93  16.42 +/- 0.34   0.001% *  0.3950% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   93  21.23 +/- 0.95   0.000% *  0.3950% (0.90   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   PRO   93  22.00 +/- 0.92   0.000% *  0.2671% (0.61   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   93  28.31 +/- 0.36   0.000% *  0.3679% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   PRO   93  24.54 +/- 1.22   0.000% *  0.1098% (0.25   0.02   0.02) =   0.000%
          HG2   MET   11 - HG3   PRO   93  35.12 +/- 3.00   0.000% *  0.0680% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 131.7:
      O T HG2   PRO   93 - HG3   PRO   93   1.75 +/- 0.00  93.910% * 97.1713% (0.99   3.97 131.75) =  99.988%  kept
          HB3   PRO   52 - HG3   PRO   93   3.68 +/- 1.19   6.089% *  0.1854% (0.38   0.02   0.02) =   0.012%
          QB    LYS+  66 - HG3   PRO   93  17.59 +/- 0.65   0.000% *  0.4674% (0.95   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HG3   PRO   93  17.31 +/- 0.60   0.000% *  0.3776% (0.76   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   93  18.66 +/- 0.63   0.000% *  0.3196% (0.65   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   PRO   93  19.69 +/- 0.97   0.000% *  0.3957% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   PRO   93  21.30 +/- 0.74   0.000% *  0.3588% (0.73   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   PRO   93  21.96 +/- 0.41   0.000% *  0.4286% (0.87   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   PRO   93  21.20 +/- 0.75   0.000% *  0.1854% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   PRO   93  20.38 +/- 1.07   0.000% *  0.1100% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3012 (1.69, 1.81, 24.81 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.97, residual support = 131.8:
      O T HG3   PRO   93 - HG2   PRO   93   1.75 +/- 0.00  99.769% * 96.5274% (0.95   3.97 131.75) =  99.999%  kept
          HB3   MET   92 - HG2   PRO   93   5.47 +/- 0.91   0.224% *  0.4748% (0.92   0.02   1.41) =   0.001%
        T HD2   LYS+ 111 - HG2   PRO   93   9.37 +/- 0.56   0.005% *  0.5041% (0.98   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   PRO   93  11.97 +/- 0.63   0.001% *  0.3119% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   PRO   93  15.49 +/- 0.62   0.000% *  0.4118% (0.80   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   PRO   93  16.15 +/- 0.63   0.000% *  0.1430% (0.28   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   PRO   93  21.14 +/- 0.49   0.000% *  0.4963% (0.97   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   PRO   93  16.75 +/- 0.47   0.000% *  0.1018% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   PRO   93  21.78 +/- 1.07   0.000% *  0.4118% (0.80   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   PRO   93  20.82 +/- 0.44   0.000% *  0.2912% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   PRO   93  18.67 +/- 0.93   0.000% *  0.1145% (0.22   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   PRO   93  26.55 +/- 1.08   0.000% *  0.2114% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 131.7:
      O   HD3   PRO   93 - HG3   PRO   93   2.30 +/- 0.00  95.363% * 97.7036% (0.97   3.97 131.75) =  99.978%  kept
          HB3   CYS   53 - HG3   PRO   93   4.76 +/- 1.07   4.120% *  0.4262% (0.84   0.02   0.02) =   0.019%
          QB    PHE   55 - HG3   PRO   93   5.90 +/- 0.89   0.490% *  0.5091% (1.00   0.02   0.02) =   0.003%
          HB2   PHE   59 - HG3   PRO   93   9.68 +/- 0.58   0.018% *  0.4710% (0.92   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG3   PRO   93  11.15 +/- 1.05   0.009% *  0.3899% (0.76   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   PRO   93  23.64 +/- 1.09   0.000% *  0.5001% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 131.8:
      O   HD2   PRO   93 - HG3   PRO   93   2.87 +/- 0.00  99.954% * 97.2575% (0.25   3.97 131.75) =  99.999%  kept
          HA    THR   77 - HG3   PRO   93  10.40 +/- 0.29   0.045% *  1.8147% (0.92   0.02   0.02) =   0.001%
          HB2   TRP   27 - HG3   PRO   93  19.43 +/- 0.66   0.001% *  0.4902% (0.25   0.02   0.02) =   0.000%
          HA    LEU   31 - HG3   PRO   93  21.72 +/- 0.64   0.001% *  0.4377% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.79 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  17.74 +/- 0.69 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.23 A violated in 20 structures by 13.51 A, eliminated.
    Peak unassigned.
 
    Peak 3018 (8.75, 3.58, 50.24 ppm):
    4 chemical-shift based assignments, quality = 0.712, support = 2.96, residual support = 6.58:
          HN    ALA  110 - HD2   PRO   93   3.50 +/- 0.51  98.810% * 99.2027% (0.71   2.96   6.58) =  99.994%  kept
          HN    PHE   45 - HD2   PRO   93   7.82 +/- 0.25   1.094% *  0.5718% (0.61   0.02   0.02) =   0.006%
          HN    ASP-  44 - HD2   PRO   93  11.58 +/- 0.18   0.094% *  0.1056% (0.11   0.02   0.02) =   0.000%
          HN    GLU-  25 - HD2   PRO   93  22.64 +/- 0.63   0.002% *  0.1199% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3019 (4.60, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.382, support = 0.986, residual support = 0.986:
          HA1   GLY  109 - HD2   PRO   93   3.42 +/- 0.50  98.374% * 88.9787% (0.38   0.99   0.99) =  99.968%  kept
          HA    CYS   50 - HD2   PRO   93   7.60 +/- 0.63   1.513% *  1.6692% (0.35   0.02   0.02) =   0.029%
          HA    TRP   49 - HD2   PRO   93  11.76 +/- 0.65   0.095% *  2.3555% (0.50   0.02   0.02) =   0.003%
          HA    CYS   21 - HD2   PRO   93  18.49 +/- 0.35   0.005% *  2.9746% (0.63   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   PRO   93  16.39 +/- 0.41   0.011% *  0.6006% (0.13   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD2   PRO   93  22.01 +/- 0.38   0.002% *  3.4216% (0.72   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3020 (1.43, 3.58, 50.24 ppm):
    13 chemical-shift based assignments, quality = 0.687, support = 2.31, residual support = 6.58:
          QB    ALA  110 - HD2   PRO   93   3.45 +/- 0.71  99.676% * 93.8304% (0.69   2.31   6.58) =  99.999%  kept
          QB    ALA   61 - HD2   PRO   93  13.29 +/- 0.49   0.041% *  0.8566% (0.72   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   PRO   93  10.46 +/- 0.75   0.180% *  0.1504% (0.13   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   PRO   93  16.10 +/- 1.33   0.019% *  0.8285% (0.70   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   PRO   93  14.97 +/- 0.79   0.026% *  0.4179% (0.35   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   PRO   93  14.49 +/- 0.36   0.026% *  0.2650% (0.22   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   PRO   93  17.67 +/- 0.28   0.008% *  0.5207% (0.44   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   PRO   93  19.00 +/- 0.80   0.005% *  0.6874% (0.58   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD2   PRO   93  18.03 +/- 1.41   0.008% *  0.2928% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   PRO   93  21.37 +/- 0.66   0.003% *  0.8121% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   PRO   93  21.54 +/- 0.38   0.002% *  0.7699% (0.65   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   PRO   93  19.81 +/- 0.63   0.004% *  0.1504% (0.13   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   PRO   93  24.59 +/- 1.14   0.001% *  0.4179% (0.35   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3021 (1.42, 3.34, 50.24 ppm):
    24 chemical-shift based assignments, quality = 0.616, support = 1.37, residual support = 9.35:
          QB    ALA  110 - HD3   PRO   93   4.08 +/- 0.35  57.236% * 58.7025% (0.78   0.75   6.58) =  76.943%  kept
          HB3   LEU   67 - HD3   PRO   68   4.44 +/- 0.26  37.538% * 26.8006% (0.08   3.43  18.59) =  23.039%  kept
          QG    LYS+  66 - HD3   PRO   68   6.26 +/- 0.64   4.689% *  0.0991% (0.05   0.02   0.02) =   0.011%
          QB    ALA   61 - HD3   PRO   93  13.01 +/- 0.30   0.053% *  1.1674% (0.58   0.02   0.02) =   0.001%
          HB2   LEU   80 - HD3   PRO   93  14.13 +/- 0.69   0.036% *  1.7071% (0.85   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HD3   PRO   93  13.66 +/- 0.34   0.040% *  1.4450% (0.72   0.02   0.02) =   0.001%
          QB    ALA   61 - HD3   PRO   68  10.69 +/- 0.66   0.177% *  0.2078% (0.10   0.02   0.02) =   0.001%
          HG    LEU   80 - HD3   PRO   93  15.37 +/- 1.15   0.024% *  1.5074% (0.75   0.02   0.02) =   0.001%
          HG12  ILE   19 - HD3   PRO   68  13.90 +/- 0.61   0.037% *  0.2965% (0.15   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   93  17.51 +/- 0.38   0.009% *  0.9495% (0.47   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD3   PRO   93  19.28 +/- 1.38   0.006% *  1.5074% (0.75   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD3   PRO   93  20.99 +/- 0.38   0.003% *  1.6659% (0.83   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD3   PRO   68  15.72 +/- 1.02   0.018% *  0.2683% (0.13   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   68  14.93 +/- 0.69   0.025% *  0.1690% (0.08   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   68  14.37 +/- 1.77   0.039% *  0.0893% (0.04   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD3   PRO   93  19.30 +/- 0.71   0.005% *  0.5570% (0.28   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   93  17.50 +/- 0.24   0.009% *  0.3160% (0.16   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   PRO   68  16.95 +/- 0.58   0.011% *  0.2572% (0.13   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD3   PRO   93  21.67 +/- 0.59   0.003% *  0.8784% (0.44   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   68  14.06 +/- 0.35   0.034% *  0.0562% (0.03   0.02   0.02) =   0.000%
          QB    ALA  110 - HD3   PRO   68  18.88 +/- 0.57   0.006% *  0.2786% (0.14   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   93  27.48 +/- 2.05   0.001% *  0.5018% (0.25   0.02   0.02) =   0.000%
          HG    LEU   80 - HD3   PRO   68  25.18 +/- 0.95   0.001% *  0.2683% (0.13   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   PRO   68  25.66 +/- 0.32   0.001% *  0.3038% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3022 (0.65, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.285, support = 0.02, residual support = 0.02:
          QG2   ILE   89 - HB    THR   94   6.30 +/- 0.15 100.000% *100.0000% (0.28   0.02   0.02) = 100.000%  kept
    Distance limit 3.36 A violated in 20 structures by 2.94 A, eliminated.
    Peak unassigned.
 
    Peak 3023 (0.10, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.739, support = 0.0199, residual support = 0.0199:
          QD1   ILE   89 - HB    THR   94   6.70 +/- 0.24  80.705% * 49.6466% (0.77   0.02   0.02) =  85.993%  kept
          QG2   VAL   83 - HB    THR   94   8.77 +/- 0.66  16.737% * 36.9429% (0.57   0.02   0.02) =  13.271%  kept
          QD2   LEU   31 - HB    THR   94  11.99 +/- 0.46   2.558% * 13.4105% (0.21   0.02   0.02) =   0.736%
    Distance limit 3.70 A violated in 20 structures by 2.79 A, eliminated.
    Peak unassigned.
 
    Peak 3024 (3.06, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 2.96, residual support = 27.2:
        T HB2   PHE   45 - HB    THR   94   3.11 +/- 0.21  99.909% * 98.9433% (0.81   2.96  27.20) =  99.999%  kept
          QE    LYS+ 111 - HB    THR   94  10.57 +/- 0.49   0.073% *  0.6919% (0.83   0.02   0.02) =   0.001%
          HB2   CYS   21 - HB    THR   94  13.21 +/- 0.35   0.018% *  0.3648% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3025 (5.59, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.146, support = 0.02, residual support = 0.02:
          HA    LEU   73 - HB    THR   94  13.35 +/- 0.16 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 3.01 A violated in 20 structures by 10.34 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   2.71 +/- 0.10  99.986% * 99.3309% (0.83   3.08  25.32) = 100.000%  kept
          HN    GLU-  79 - HB    THR   94  12.73 +/- 0.32   0.010% *  0.4695% (0.61   0.02   0.02) =   0.000%
          HN    SER   85 - HB    THR   94  14.76 +/- 0.37   0.004% *  0.1996% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3027 (8.74, 3.95, 72.97 ppm):
    2 chemical-shift based assignments, quality = 0.806, support = 3.3, residual support = 27.2:
          HN    PHE   45 - HB    THR   94   4.06 +/- 0.16  94.312% * 99.4994% (0.81   3.30  27.20) =  99.970%  kept
          HN    ALA  110 - HB    THR   94   6.70 +/- 0.63   5.688% *  0.5006% (0.67   0.02   0.02) =   0.030%
    Distance limit 4.26 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3028 (5.61, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   THR   94   4.24 +/- 0.17 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.52 A violated in 20 structures by 0.72 A, eliminated.
    Peak unassigned.
 
    Peak 3030 (9.88, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.02, residual support = 14.3:
          HN    PHE   95 - QG2   THR   94   2.09 +/- 0.08 100.000% *100.0000% (0.97   4.02  14.26) = 100.000%  kept
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3031 (4.33, 5.96, 55.53 ppm):
    6 chemical-shift based assignments, quality = 0.511, support = 0.0196, residual support = 0.0196:
          HA    PHE   59 - HA    PHE   95   9.65 +/- 0.25  77.281% *  8.2742% (0.25   0.02   0.02) =  51.762%  kept
          HA    LEU  104 - HA    PHE   95  12.26 +/- 0.10  18.537% * 27.7167% (0.84   0.02   0.02) =  41.591%  kept
          HA    TRP   87 - HA    PHE   95  17.48 +/- 0.28   2.227% * 25.3593% (0.76   0.02   0.02) =   4.572%  kept
          HA    ASP-  86 - HA    PHE   95  19.43 +/- 0.32   1.175% * 12.4539% (0.38   0.02   0.02) =   1.185%
          HA    GLU-  14 - HA    PHE   95  21.79 +/- 0.79   0.610% * 14.8769% (0.45   0.02   0.02) =   0.734%
          HA    ALA   12 - HA    PHE   95  26.94 +/- 1.10   0.170% * 11.3190% (0.34   0.02   0.02) =   0.156%
    Distance limit 3.56 A violated in 20 structures by 5.71 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   2.55 +/- 0.39  99.976% * 99.8140% (0.87   3.44  73.53) = 100.000%  kept
          HN    ALA   47 - HA    PHE   95  10.80 +/- 0.22   0.024% *  0.1860% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.70 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 +/- 0.01  99.995% * 99.8765% (0.80   4.00  11.99) = 100.000%  kept
          HN    PHE   72 - HA    PHE   95  11.43 +/- 0.19   0.005% *  0.1235% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.87 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   4.33  73.53) = 100.000%  kept
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3035 (7.03, 3.20, 40.96 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 73.5:
      O   QD    PHE   95 - HB2   PHE   95   2.34 +/- 0.09  99.996% * 99.7868% (0.87   3.00  73.53) = 100.000%  kept
          HN    ALA   47 - HB2   PHE   95  12.64 +/- 0.32   0.004% *  0.2132% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.43 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   2.57 +/- 0.15  99.993% * 99.8068% (0.87   3.31  73.53) = 100.000%  kept
          HN    ALA   47 - HB3   PHE   95  12.90 +/- 0.27   0.007% *  0.1932% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.29 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   3.52 +/- 0.07 100.000% *100.0000% (0.53   4.20  73.53) = 100.000%  kept
    Distance limit 3.85 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 = 3.87, residual support = 73.5:
      O   HN    PHE   95 - HB2   PHE   95   2.29 +/- 0.09 100.000% *100.0000% (0.53   3.87  73.53) = 100.000%  kept
    Distance limit 3.58 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 = 0.805, support = 0.0193, residual support = 39.2:
          QG2   VAL  107 - HB3   PHE   95   4.45 +/- 0.30  93.570% * 21.5607% (0.84   0.02  40.66) =  96.352%  kept
          HG13  ILE  119 - HB3   PHE   95   7.64 +/- 0.64   4.237% * 10.6120% (0.41   0.02   0.02) =   2.148%
          HG13  ILE  103 - HB3   PHE   95   9.00 +/- 0.39   1.463% *  9.6879% (0.38   0.02   0.02) =   0.677%
          HG2   LYS+ 121 - HB3   PHE   95  10.71 +/- 0.34   0.520% * 25.3018% (0.98   0.02   0.02) =   0.629%
          QB    ALA   20 - HB3   PHE   95  13.18 +/- 0.45   0.152% * 23.1498% (0.90   0.02   0.02) =   0.168%
          HB3   LEU   31 - HB3   PHE   95  15.57 +/- 0.75   0.058% *  9.6879% (0.38   0.02   0.02) =   0.027%
    Distance limit 3.99 A violated in 17 structures by 0.49 A, eliminated.
    Peak unassigned.
 
    Peak 3040 (0.60, 2.54, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.559, support = 0.896, residual support = 2.43:
          QD1   LEU   63 - HB3   PHE   95   3.82 +/- 0.13  95.121% * 69.5587% (0.57   0.91   2.46) =  98.729%  kept
          QD2   LEU  115 - HB3   PHE   95   6.65 +/- 0.54   3.904% * 21.3202% (0.90   0.18   5.25) =   1.242%
          QD1   LEU  104 - HB3   PHE   95   9.30 +/- 0.29   0.479% *  2.7068% (1.00   0.02   0.02) =   0.019%
          QD1   LEU   73 - HB3   PHE   95  10.15 +/- 0.47   0.283% *  1.5325% (0.57   0.02   0.02) =   0.006%
          QD2   LEU   80 - HB3   PHE   95  13.80 +/- 0.39   0.044% *  2.4987% (0.92   0.02   0.02) =   0.002%
          QG1   VAL   83 - HB3   PHE   95  13.78 +/- 0.62   0.046% *  1.9655% (0.73   0.02   0.02) =   0.001%
          QG2   ILE   89 - HB3   PHE   95  11.63 +/- 0.29   0.123% *  0.4176% (0.15   0.02   0.02) =   0.001%
    Distance limit 3.74 A violated in 2 structures by 0.10 A, kept.
 
    Peak 3041 (0.38, 2.54, 40.96 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 0.75, residual support = 1.5:
          QG1   VAL   42 - HB3   PHE   95   3.50 +/- 0.17  99.382% * 93.8162% (0.65   0.75   1.50) =  99.987%  kept
          QB    ALA   64 - HB3   PHE   95   8.64 +/- 0.47   0.477% *  2.0347% (0.53   0.02   0.02) =   0.010%
          QB    ALA   47 - HB3   PHE   95  12.60 +/- 0.44   0.048% *  2.9555% (0.76   0.02   0.02) =   0.002%
          HG2   LYS+ 112 - HB3   PHE   95  11.53 +/- 1.10   0.093% *  1.1936% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3042 (1.13, 3.20, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 2.63, residual support = 40.7:
          QG2   VAL  107 - HB2   PHE   95   3.12 +/- 0.38  99.307% * 92.3259% (0.34   2.63  40.66) =  99.987%  kept
          HG13  ILE  119 - HB2   PHE   95   7.79 +/- 0.72   0.549% *  1.8454% (0.90   0.02   0.02) =   0.011%
          HG2   LYS+ 121 - HB2   PHE   95  10.62 +/- 0.36   0.080% *  1.1650% (0.57   0.02   0.02) =   0.001%
          QB    ALA   20 - HB2   PHE   95  14.10 +/- 0.39   0.014% *  1.8995% (0.92   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PHE   95  11.78 +/- 0.90   0.040% *  0.5721% (0.28   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PHE   95  16.75 +/- 0.76   0.005% *  1.7849% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB2   PHE   95  16.55 +/- 1.07   0.006% *  0.4072% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3043 (2.40, 3.20, 40.96 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 40.7:
        T HB    VAL  107 - HB2   PHE   95   1.91 +/- 0.65  99.867% * 98.5496% (0.80   4.31  40.66) = 100.000%  kept
          QE    LYS+ 112 - HB2   PHE   95   9.43 +/- 0.59   0.082% *  0.2145% (0.38   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   PHE   95   9.57 +/- 0.29   0.048% *  0.2145% (0.38   0.02   1.89) =   0.000%
          QG    GLU-  79 - HB2   PHE   95  17.44 +/- 0.54   0.001% *  0.3926% (0.69   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   95  19.65 +/- 0.78   0.000% *  0.5406% (0.95   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   95  17.74 +/- 0.41   0.001% *  0.0882% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 2 structures by 0.07 A, kept.
 
    Peak 3044 (0.10, 1.19, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.862, support = 0.0196, residual support = 0.0196:
          QD1   ILE   89 - QG2   THR   94   6.56 +/- 0.27  71.538% * 49.6466% (0.92   0.02   0.02) =  79.819%  kept
          QG2   VAL   83 - QG2   THR   94   8.06 +/- 0.73  21.938% * 36.9429% (0.69   0.02   0.02) =  18.214%  kept
          QD2   LEU   31 - QG2   THR   94   9.83 +/- 0.44   6.524% * 13.4105% (0.25   0.02   0.02) =   1.966%
    Distance limit 3.15 A violated in 20 structures by 3.12 A, eliminated.
    Peak unassigned.
 
    Peak 3045 (5.63, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.972, support = 1.15, residual support = 2.3:
        T HA    LYS+ 106 - HA    MET   96   2.88 +/- 0.22 100.000% *100.0000% (0.97   1.15   2.30) = 100.000%  kept
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3046 (8.40, 5.31, 54.03 ppm):
    3 chemical-shift based assignments, quality = 0.879, support = 6.07, residual support = 45.8:
      O   HN    PHE   97 - HA    MET   96   2.22 +/- 0.02  99.994% * 99.5705% (0.88   6.07  45.77) = 100.000%  kept
          HN    LEU  115 - HA    MET   96  11.66 +/- 0.23   0.005% *  0.3278% (0.88   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    MET   96  14.96 +/- 0.23   0.001% *  0.1016% (0.27   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3047 (9.31, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.634, support = 4.09, residual support = 115.5:
      O   HN    MET   96 - HA    MET   96   2.92 +/- 0.00 100.000% *100.0000% (0.63   4.09 115.53) = 100.000%  kept
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3048 (6.70, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 1.98, residual support = 9.9:
        T QE    PHE   45 - HB2   MET   96   3.61 +/- 0.12  99.148% * 97.0834% (0.49   1.98   9.90) =  99.987%  kept
          QD    PHE   72 - HB2   MET   96   8.38 +/- 0.43   0.665% *  1.3806% (0.69   0.02   0.02) =   0.010%
        T HZ    PHE   72 - HB2   MET   96  10.43 +/- 0.68   0.188% *  1.5360% (0.76   0.02   0.02) =   0.003%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3049 (8.39, 2.21, 36.87 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 45.8:
          HN    PHE   97 - HB2   MET   96   4.13 +/- 0.09  99.807% * 99.4519% (0.92   6.07  45.77) = 100.000%  kept
          HN    LEU  115 - HB2   MET   96  13.92 +/- 0.26   0.069% *  0.3274% (0.92   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   MET   96  12.71 +/- 0.47   0.122% *  0.0480% (0.14   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   MET   96  27.21 +/- 1.70   0.001% *  0.1727% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 1 structures by 0.14 A, kept.
 
    Peak 3050 (9.31, 2.21, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 4.06, residual support = 115.5:
      O   HN    MET   96 - HB2   MET   96   2.69 +/- 0.14 100.000% *100.0000% (0.65   4.06 115.53) = 100.000%  kept
    Distance limit 3.75 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 = 0.671, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - HB3   MET   96  11.52 +/- 0.69  23.941% * 81.6578% (0.99   0.02   0.02) =  58.356%  kept
          QD    PHE   72 - HB3   MET   96   9.44 +/- 0.48  76.059% * 18.3422% (0.22   0.02   0.02) =  41.644%  kept
    Distance limit 3.69 A violated in 20 structures by 5.32 A, eliminated.
    Peak unassigned.
 
    Peak 3052 (9.31, 1.93, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 3.97, residual support = 115.5:
      O   HN    MET   96 - HB3   MET   96   2.71 +/- 0.15 100.000% *100.0000% (0.65   3.97 115.53) = 100.000%  kept
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3053 (0.74, 2.21, 36.87 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 16.4:
          QG1   VAL   43 - HB2   MET   96   3.07 +/- 0.46  97.484% * 94.5898% (0.73   2.00  16.41) =  99.979%  kept
          QG1   VAL   41 - HB2   MET   96   6.49 +/- 0.66   2.061% *  0.6853% (0.53   0.02   0.02) =   0.015%
          QG2   THR   46 - HB2   MET   96   9.53 +/- 0.45   0.147% *  1.2768% (0.98   0.02   0.02) =   0.002%
          QD2   LEU  104 - HB2   MET   96   9.29 +/- 0.24   0.153% *  1.0431% (0.80   0.02   0.02) =   0.002%
          QG2   VAL   18 - HB2   MET   96  10.16 +/- 0.76   0.121% *  1.2025% (0.92   0.02   0.02) =   0.002%
          QD1   ILE   19 - HB2   MET   96  12.10 +/- 0.37   0.033% *  1.2025% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3054 (0.08, 2.21, 36.87 ppm):
    3 chemical-shift based assignments, quality = 0.894, support = 0.02, residual support = 0.02:
          QD2   LEU   31 - HB2   MET   96   7.19 +/- 0.48  65.896% * 36.4416% (0.92   0.02   0.02) =  68.642%  kept
          QG2   VAL   83 - HB2   MET   96   8.95 +/- 0.43  18.467% * 36.4416% (0.92   0.02   0.02) =  19.237%  kept
          QD1   ILE   89 - HB2   MET   96   9.26 +/- 0.44  15.637% * 27.1168% (0.69   0.02   0.02) =  12.121%  kept
    Distance limit 3.95 A violated in 20 structures by 2.74 A, eliminated.
    Peak unassigned.
 
    Peak 3055 (0.10, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.593, support = 0.02, residual support = 0.02:
        T QD1   ILE   89 - HB3   MET   96   8.34 +/- 0.37  53.514% * 62.5588% (0.69   0.02   0.02) =  65.794%  kept
          QG2   VAL   83 - HB3   MET   96   8.57 +/- 0.55  46.486% * 37.4412% (0.41   0.02   0.02) =  34.206%  kept
    Distance limit 3.94 A violated in 20 structures by 3.54 A, eliminated.
    Peak unassigned.
 
    Peak 3056 (8.39, 2.61, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 5.6, residual support = 45.8:
          HN    PHE   97 - HG2   MET   96   3.52 +/- 0.33  99.832% * 99.1286% (0.92   5.60  45.77) = 100.000%  kept
          HN    LEU  115 - HG2   MET   96  13.94 +/- 0.57   0.030% *  0.3543% (0.92   0.02   0.02) =   0.000%
          HN    LEU  115 - HB2   PRO   52  11.71 +/- 0.90   0.094% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   96  13.80 +/- 1.02   0.038% *  0.0519% (0.14   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   PRO   52  19.27 +/- 1.13   0.005% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    ALA   12 - HG2   MET   96  29.67 +/- 1.75   0.000% *  0.1868% (0.49   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   PRO   52  35.89 +/- 2.45   0.000% *  0.0549% (0.14   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   PRO   52  29.87 +/- 0.97   0.000% *  0.0153% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3057 (8.40, 2.47, 32.67 ppm):
    3 chemical-shift based assignments, quality = 0.544, support = 6.05, residual support = 45.8:
          HN    PHE   97 - HG3   MET   96   2.98 +/- 0.36  99.988% * 99.5687% (0.54   6.05  45.77) = 100.000%  kept
          HN    LEU  115 - HG3   MET   96  14.45 +/- 0.34   0.009% *  0.3293% (0.54   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG3   MET   96  17.74 +/- 0.36   0.003% *  0.1021% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3058 (1.19, 2.61, 32.67 ppm):
    12 chemical-shift based assignments, quality = 0.383, support = 2.07, residual support = 7.67:
          HG13  ILE  103 - HG2   MET   96   3.55 +/- 0.36  80.216% * 48.1268% (0.25   2.40   9.02) =  81.985%  kept
          QG2   THR   94 - HG2   MET   96   4.72 +/- 0.52  18.654% * 45.4549% (0.99   0.57   1.52) =  18.007%  kept
          HB3   LYS+ 112 - HB2   PRO   52   9.54 +/- 1.01   0.271% *  0.4631% (0.29   0.02   0.02) =   0.003%
          HD2   LYS+ 112 - HB2   PRO   52   9.53 +/- 1.12   0.280% *  0.4099% (0.25   0.02   0.02) =   0.002%
          QG2   THR   94 - HB2   PRO   52  11.32 +/- 1.09   0.097% *  0.4683% (0.29   0.02   0.02) =   0.001%
          HB3   LEU   71 - HG2   MET   96  13.70 +/- 0.79   0.030% *  1.2879% (0.80   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HB2   PRO   52   9.11 +/- 1.06   0.427% *  0.0729% (0.05   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HG2   MET   96  18.65 +/- 0.76   0.004% *  1.5766% (0.98   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG2   MET   96  19.44 +/- 0.77   0.003% *  1.3952% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG2   MET   96  14.91 +/- 0.75   0.015% *  0.2482% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   PRO   52  25.99 +/- 1.07   0.001% *  0.3783% (0.24   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB2   PRO   52  21.82 +/- 1.16   0.002% *  0.1178% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3059 (0.98, 2.61, 32.67 ppm):
    16 chemical-shift based assignments, quality = 0.734, support = 2.44, residual support = 9.02:
          QD1   ILE  103 - HG2   MET   96   3.57 +/- 0.49  74.672% * 24.3721% (0.49   2.00   9.02) =  51.634%  kept
          QG2   ILE  103 - HG2   MET   96   4.44 +/- 0.41  23.440% * 72.6942% (1.00   2.91   9.02) =  48.344%  kept
          QD2   LEU   40 - HG2   MET   96   7.13 +/- 0.42   1.338% *  0.4735% (0.95   0.02   0.02) =   0.018%
          HB    VAL   75 - HG2   MET   96   9.30 +/- 0.71   0.311% *  0.1879% (0.38   0.02   0.02) =   0.002%
          QD1   LEU   67 - HG2   MET   96  10.95 +/- 0.82   0.107% *  0.4831% (0.97   0.02   0.02) =   0.001%
          QD2   LEU   71 - HG2   MET   96  13.20 +/- 0.66   0.032% *  0.3036% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG2   MET   96  14.36 +/- 0.42   0.019% *  0.4962% (0.99   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   MET   96  13.89 +/- 0.48   0.024% *  0.1545% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PRO   52  14.98 +/- 0.58   0.015% *  0.1458% (0.29   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB2   PRO   52  18.12 +/- 0.83   0.005% *  0.1419% (0.28   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   PRO   52  18.36 +/- 0.97   0.005% *  0.1467% (0.29   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   PRO   52  15.33 +/- 0.68   0.014% *  0.0454% (0.09   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PRO   52  16.19 +/- 0.99   0.010% *  0.0552% (0.11   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB2   PRO   52  19.49 +/- 0.84   0.003% *  0.1391% (0.28   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   PRO   52  18.77 +/- 1.31   0.004% *  0.0716% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   PRO   52  21.85 +/- 0.80   0.002% *  0.0892% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3060 (1.37, 2.47, 32.67 ppm):
    14 chemical-shift based assignments, quality = 0.229, support = 0.456, residual support = 0.597:
          QB    LEU   98 - HG3   MET   96   4.34 +/- 0.47  22.532% * 38.5989% (0.14   0.76   0.42) =  45.883%  kept
          HG    LEU   98 - HG3   MET   96   4.23 +/- 1.16  38.096% * 22.2539% (0.25   0.24   0.42) =  44.726%  kept
          HG3   LYS+ 106 - HG3   MET   96   3.98 +/- 0.78  38.392% *  4.5546% (0.61   0.02   2.30) =   9.225%  kept
          HB    VAL   42 - HG3   MET   96   8.07 +/- 0.43   0.495% *  4.0938% (0.54   0.02   0.02) =   0.107%
          HB3   LEU   73 - HG3   MET   96  10.54 +/- 0.63   0.096% *  4.3180% (0.57   0.02   0.02) =   0.022%
          HG3   LYS+ 102 - HG3   MET   96  11.25 +/- 0.57   0.062% *  4.4053% (0.59   0.02   0.02) =   0.014%
          HB3   ASP-  44 - HG3   MET   96   8.96 +/- 0.27   0.252% *  0.9034% (0.12   0.02   0.02) =   0.012%
          HB3   PRO   93 - HG3   MET   96  12.96 +/- 0.50   0.032% *  2.5843% (0.34   0.02   0.02) =   0.004%
          QB    ALA   84 - HG3   MET   96  13.82 +/- 0.35   0.019% *  2.4016% (0.32   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HG3   MET   96  15.27 +/- 0.80   0.010% *  3.8128% (0.51   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HG3   MET   96  18.86 +/- 0.38   0.003% *  4.5243% (0.60   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HG3   MET   96  18.87 +/- 0.59   0.003% *  4.0938% (0.54   0.02   0.02) =   0.001%
          QB    ALA  124 - HG3   MET   96  16.16 +/- 0.89   0.007% *  1.4089% (0.19   0.02   0.02) =   0.001%
          QB    ALA   12 - HG3   MET   96  23.35 +/- 1.65   0.001% *  2.0465% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 1 structures by 0.02 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3061 (1.19, 2.47, 32.67 ppm):
    6 chemical-shift based assignments, quality = 0.179, support = 2.31, residual support = 8.57:
          HG13  ILE  103 - HG3   MET   96   3.20 +/- 0.28  96.587% * 33.8428% (0.15   2.39   9.02) =  93.905%  kept
          QG2   THR   94 - HG3   MET   96   5.63 +/- 0.24   3.369% * 62.9735% (0.60   1.12   1.52) =   6.094%  kept
          HB3   LEU   71 - HG3   MET   96  12.49 +/- 0.56   0.033% *  0.9096% (0.49   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HG3   MET   96  19.16 +/- 0.49   0.002% *  1.1135% (0.59   0.02   0.02) =   0.000%
        T HD2   LYS+ 112 - HG3   MET   96  19.83 +/- 0.54   0.002% *  0.9854% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG3   MET   96  15.87 +/- 0.43   0.007% *  0.1753% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3062 (0.98, 2.47, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.461, support = 2.6, residual support = 9.02:
          QG2   ILE  103 - HG3   MET   96   4.33 +/- 0.29  27.494% * 72.3096% (0.61   2.98   9.02) =  53.452%  kept
          QD1   ILE  103 - HG3   MET   96   3.68 +/- 0.45  67.408% * 25.6504% (0.30   2.17   9.02) =  46.487%  kept
          QD2   LEU   40 - HG3   MET   96   6.08 +/- 0.49   4.518% *  0.4603% (0.57   0.02   0.02) =   0.056%
          QD1   LEU   67 - HG3   MET   96  10.20 +/- 0.89   0.189% *  0.4696% (0.59   0.02   0.02) =   0.002%
          HB    VAL   75 - HG3   MET   96   9.44 +/- 0.54   0.283% *  0.1826% (0.23   0.02   0.02) =   0.001%
          QD2   LEU   71 - HG3   MET   96  12.24 +/- 0.51   0.056% *  0.2951% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG3   MET   96  14.24 +/- 0.49   0.023% *  0.4823% (0.60   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   MET   96  13.63 +/- 0.41   0.029% *  0.1502% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3063 (9.70, 5.36, 56.63 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.46, residual support = 11.0:
      O   HN    LEU   98 - HA    PHE   97   2.20 +/- 0.00 100.000% *100.0000% (0.80   3.46  11.00) = 100.000%  kept
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3064 (8.40, 5.36, 56.63 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.73, residual support = 62.6:
      O   HN    PHE   97 - HA    PHE   97   2.94 +/- 0.00  99.988% * 99.4493% (0.90   4.73  62.60) = 100.000%  kept
          HN    LEU  115 - HA    PHE   97  13.75 +/- 0.30   0.010% *  0.4203% (0.90   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    PHE   97  17.38 +/- 0.22   0.002% *  0.1303% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3065 (7.15, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 2.44, residual support = 62.6:
      O T QD    PHE   97 - HB2   PHE   97   2.42 +/- 0.06 100.000% * 99.3176% (0.45   2.44  62.60) = 100.000%  kept
          HZ3   TRP   87 - HB2   PHE   97  19.76 +/- 0.39   0.000% *  0.6824% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 7.78, residual support = 60.6:
          HN    ASP- 105 - HB2   PHE   97   2.02 +/- 0.16 100.000% * 99.8981% (0.95   7.78  60.61) = 100.000%  kept
          HN    ALA   88 - HB2   PHE   97  22.61 +/- 0.37   0.000% *  0.1019% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3067 (8.40, 2.99, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.84, residual support = 62.6:
      O   HN    PHE   97 - HB2   PHE   97   2.36 +/- 0.09  99.993% * 99.4616% (0.90   4.84  62.60) = 100.000%  kept
          HN    LEU  115 - HB2   PHE   97  12.04 +/- 0.31   0.006% *  0.4110% (0.90   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB2   PHE   97  15.67 +/- 0.26   0.001% *  0.1274% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3068 (1.86, 2.99, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.991, support = 3.82, residual support = 60.6:
        T HB3   ASP- 105 - HB2   PHE   97   2.66 +/- 0.24  96.819% * 95.8908% (0.99   3.82  60.61) =  99.989%  kept
        T QB    LYS+ 106 - HB2   PHE   97   5.26 +/- 0.11   1.804% *  0.4053% (0.80   0.02  12.79) =   0.008%
          HB    ILE  103 - HB2   PHE   97   6.66 +/- 0.20   0.452% *  0.5061% (1.00   0.02   1.99) =   0.002%
          HG12  ILE  103 - HB2   PHE   97   6.02 +/- 0.63   0.899% *  0.1002% (0.20   0.02   1.99) =   0.001%
          HG    LEU  123 - HB2   PHE   97  12.93 +/- 0.53   0.008% *  0.2081% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PHE   97  15.05 +/- 0.51   0.003% *  0.4788% (0.95   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PHE   97  16.57 +/- 1.09   0.002% *  0.5050% (1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   PHE   97  14.49 +/- 0.47   0.004% *  0.1900% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PHE   97  13.96 +/- 0.63   0.006% *  0.1262% (0.25   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PHE   97  21.20 +/- 0.65   0.000% *  0.5050% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   PHE   97  18.49 +/- 0.97   0.001% *  0.2081% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PHE   97  22.13 +/- 0.49   0.000% *  0.4539% (0.90   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   PHE   97  22.52 +/- 0.40   0.000% *  0.4227% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 0.304, support = 4.17, residual support = 14.0:
        T HB2   LEU  104 - HB2   PHE   97   3.23 +/- 0.35  57.562% * 52.8427% (0.31   4.74  17.84) =  75.700%  kept
          QG2   ILE  103 - HB2   PHE   97   3.72 +/- 0.19  25.111% * 25.9714% (0.25   2.89   1.99) =  16.231%  kept
          QD2   LEU   40 - HB2   PHE   97   3.99 +/- 0.29  16.576% * 19.5494% (0.38   1.44   1.53) =   8.065%  kept
          QD1   LEU   67 - HB2   PHE   97   7.59 +/- 1.45   0.542% *  0.2463% (0.34   0.02   0.02) =   0.003%
          QD1   ILE  119 - HB2   PHE   97  10.34 +/- 0.37   0.056% *  0.4379% (0.61   0.02   0.02) =   0.001%
          QG2   VAL  108 - HB2   PHE   97   8.96 +/- 0.26   0.134% *  0.1429% (0.20   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PHE   97  13.07 +/- 0.72   0.015% *  0.6830% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PHE   97  15.94 +/- 0.65   0.004% *  0.1264% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3070 (1.01, 2.36, 40.60 ppm):
    8 chemical-shift based assignments, quality = 0.299, support = 3.04, residual support = 15.9:
          HB2   LEU  104 - HB3   PHE   97   2.09 +/- 0.14  74.357% * 68.5893% (0.29   3.30  17.84) =  88.026%  kept
        T QD2   LEU   40 - HB3   PHE   97   2.56 +/- 0.30  24.747% * 28.0194% (0.36   1.11   1.53) =  11.968%  kept
          QG2   ILE  103 - HB3   PHE   97   4.62 +/- 0.18   0.750% *  0.3361% (0.24   0.02   1.99) =   0.004%
          QD1   LEU   67 - HB3   PHE   97   6.66 +/- 1.51   0.134% *  0.4598% (0.32   0.02   0.02) =   0.001%
          QD1   ILE  119 - HB3   PHE   97  10.52 +/- 0.48   0.005% *  0.8176% (0.57   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   PHE   97  10.39 +/- 0.24   0.005% *  0.2668% (0.19   0.02   0.02) =   0.000%
          HB    VAL   75 - HB3   PHE   97  13.59 +/- 0.73   0.001% *  1.2751% (0.89   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   PHE   97  16.12 +/- 0.66   0.000% *  0.2361% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3071 (7.13, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 2.74, residual support = 62.6:
      O T QD    PHE   97 - HB3   PHE   97   2.39 +/- 0.06 100.000% * 99.1444% (0.87   2.74  62.60) = 100.000%  kept
          HZ3   TRP   87 - HB3   PHE   97  20.76 +/- 0.37   0.000% *  0.6809% (0.82   0.02   0.02) =   0.000%
          HE3   TRP   49 - HB3   PHE   97  25.51 +/- 0.63   0.000% *  0.1748% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 5.51, residual support = 60.6:
          HN    ASP- 105 - HB3   PHE   97   2.81 +/- 0.26  99.999% * 99.0826% (0.46   5.51  60.61) = 100.000%  kept
          HN    PHE   55 - HB3   PHE   97  19.53 +/- 0.30   0.001% *  0.2771% (0.36   0.02   0.02) =   0.000%
          HN    ALA   88 - HB3   PHE   97  23.69 +/- 0.37   0.000% *  0.6403% (0.82   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3073 (8.40, 2.36, 40.60 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.19, residual support = 62.6:
      O   HN    PHE   97 - HB3   PHE   97   3.56 +/- 0.08  99.952% * 99.4978% (0.85   5.19  62.60) = 100.000%  kept
          HN    LEU  115 - HB3   PHE   97  13.19 +/- 0.28   0.039% *  0.3834% (0.85   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   PHE   97  16.88 +/- 0.24   0.009% *  0.1188% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3074 (1.87, 2.36, 40.60 ppm):
    13 chemical-shift based assignments, quality = 0.723, support = 2.28, residual support = 60.6:
          HB3   ASP- 105 - HB3   PHE   97   3.40 +/- 0.26  97.087% * 91.1124% (0.72   2.28  60.61) =  99.971%  kept
          QB    LYS+ 106 - HB3   PHE   97   6.75 +/- 0.13   1.705% *  1.0233% (0.93   0.02  12.79) =   0.020%
          HB    ILE  103 - HB3   PHE   97   7.27 +/- 0.17   1.076% *  0.7171% (0.65   0.02   1.99) =   0.009%
          HB3   LYS+  38 - HB3   PHE   97  12.53 +/- 0.63   0.045% *  0.7581% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   PHE   97  14.07 +/- 0.53   0.022% *  0.9056% (0.82   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   PHE   97  15.18 +/- 1.15   0.018% *  0.6753% (0.61   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   PHE   97  15.49 +/- 0.39   0.012% *  0.9056% (0.82   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   PHE   97  14.63 +/- 0.55   0.018% *  0.5492% (0.50   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   PHE   97  16.89 +/- 0.55   0.007% *  0.3918% (0.36   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB3   PHE   97  16.82 +/- 0.25   0.007% *  0.2324% (0.21   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   PHE   97  21.81 +/- 0.63   0.002% *  0.7581% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   PHE   97  23.09 +/- 0.39   0.001% *  1.0075% (0.91   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   PHE   97  23.36 +/- 0.45   0.001% *  0.9637% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3075 (1.80, 5.51, 53.84 ppm):
    8 chemical-shift based assignments, quality = 0.299, support = 3.66, residual support = 25.2:
          HG12  ILE  103 - HA    LEU   98   3.68 +/- 0.36  79.188% * 55.2743% (0.25   4.00  27.71) =  90.567%  kept
          QB    LYS+ 102 - HA    LEU   98   4.95 +/- 0.24  14.332% * 25.1706% (0.98   0.46   1.65) =   7.464%  kept
          HB    VAL   41 - HA    LEU   98   6.53 +/- 1.14   6.283% * 15.1153% (0.38   0.73  17.95) =   1.965%
          HB2   LEU   71 - HA    LEU   98  10.55 +/- 0.33   0.156% *  1.1059% (1.00   0.02   0.02) =   0.004%
          QB    LYS+  66 - HA    LEU   98  14.06 +/- 0.43   0.026% *  0.6275% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LEU   98  17.22 +/- 0.26   0.008% *  1.1084% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   98  19.06 +/- 0.26   0.004% *  0.9258% (0.84   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LEU   98  19.86 +/- 0.61   0.003% *  0.6723% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3076 (4.29, 5.51, 53.84 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 2.96, residual support = 27.7:
          HA    ILE  103 - HA    LEU   98   1.89 +/- 0.11  99.447% * 94.1073% (0.73   2.96  27.71) =  99.999%  kept
          HA    LEU  104 - HA    LEU   98   4.54 +/- 0.13   0.543% *  0.2437% (0.28   0.02   7.82) =   0.001%
          HA    THR   39 - HA    LEU   98   9.27 +/- 0.23   0.008% *  0.2437% (0.28   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA    LEU   98  11.75 +/- 0.22   0.002% *  0.7861% (0.90   0.02   0.02) =   0.000%
          HB    THR   77 - HA    LEU   98  20.17 +/- 0.39   0.000% *  0.7321% (0.84   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    LEU   98  22.13 +/- 0.50   0.000% *  0.6365% (0.73   0.02   0.02) =   0.000%
          HA    SER   85 - HA    LEU   98  24.06 +/- 0.39   0.000% *  0.7321% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    LEU   98  23.37 +/- 1.13   0.000% *  0.5670% (0.65   0.02   0.02) =   0.000%
          HA    MET   11 - HA    LEU   98  28.71 +/- 2.95   0.000% *  0.8091% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA    LEU   98  23.24 +/- 0.49   0.000% *  0.2990% (0.34   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    LEU   98  27.32 +/- 2.32   0.000% *  0.6699% (0.76   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    LEU   98  27.00 +/- 0.65   0.000% *  0.1735% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3077 (7.80, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.56, residual support = 5.44:
          HN    ASP- 105 - HA    LEU   98   4.24 +/- 0.07  99.996% * 99.7775% (0.95   3.56   5.44) = 100.000%  kept
          HN    ALA   88 - HA    LEU   98  22.74 +/- 0.51   0.004% *  0.2225% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 5 structures by 0.27 A, kept.
 
    Peak 3078 (8.34, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 3.96, residual support = 15.7:
      O   HN    LYS+  99 - HA    LEU   98   2.29 +/- 0.05  99.914% * 98.9796% (0.80   3.96  15.74) = 100.000%  kept
          HE1   HIS  122 - HA    LEU   98   9.33 +/- 3.14   0.076% *  0.4536% (0.73   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    LEU   98  10.85 +/- 0.59   0.010% *  0.2131% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LEU   98  23.85 +/- 1.37   0.000% *  0.3537% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3079 (9.38, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 3.51, residual support = 7.82:
          HN    LEU  104 - HA    LEU   98   2.10 +/- 0.10  99.998% * 99.6272% (0.92   3.51   7.82) = 100.000%  kept
          HN    PHE   72 - HA    LEU   98  12.53 +/- 0.19   0.002% *  0.3728% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3080 (9.69, 5.51, 53.84 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.21, residual support = 81.3:
      O   HN    LEU   98 - HA    LEU   98   2.92 +/- 0.01 100.000% *100.0000% (0.98   5.21  81.31) = 100.000%  kept
    Distance limit 3.64 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 = 0.545, support = 2.97, residual support = 26.6:
          HG12  ILE  103 - QB    LEU   98   2.74 +/- 0.56  75.563% * 65.1063% (0.56   3.11  27.71) =  88.472%  kept
        T HB    VAL   41 - QB    LEU   98   4.46 +/- 1.20  20.760% * 30.8008% (0.42   1.95  17.95) =  11.499%  kept
          HB    ILE  103 - QB    LEU   98   4.59 +/- 0.36   3.284% *  0.4451% (0.60   0.02  27.71) =   0.026%
          HB3   ASP- 105 - QB    LEU   98   7.88 +/- 0.20   0.151% *  0.3930% (0.53   0.02   5.44) =   0.001%
        T QB    LYS+ 106 - QB    LEU   98   7.56 +/- 0.38   0.181% *  0.2000% (0.27   0.02   0.02) =   0.001%
        T QB    LYS+  33 - QB    LEU   98  10.00 +/- 0.54   0.048% *  0.3154% (0.42   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    LEU   98  13.51 +/- 0.34   0.007% *  0.2000% (0.27   0.02   0.02) =   0.000%
          HG    LEU  123 - QB    LEU   98  16.36 +/- 0.63   0.002% *  0.5811% (0.78   0.02   0.02) =   0.000%
          HG3   PRO   68 - QB    LEU   98  16.25 +/- 0.94   0.002% *  0.4705% (0.63   0.02   0.02) =   0.000%
          HB3   PRO   52 - QB    LEU   98  20.22 +/- 1.05   0.001% *  0.5811% (0.78   0.02   0.02) =   0.000%
          QB    LYS+  81 - QB    LEU   98  18.48 +/- 0.61   0.001% *  0.2210% (0.30   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QB    LEU   98  22.06 +/- 0.68   0.000% *  0.4192% (0.56   0.02   0.02) =   0.000%
          HB3   GLN   90 - QB    LEU   98  20.54 +/- 0.61   0.001% *  0.2664% (0.36   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 1 structures by 0.04 A, kept.
 
    Peak 3082 (8.35, 1.41, 47.50 ppm):
    5 chemical-shift based assignments, quality = 0.268, support = 3.62, residual support = 15.7:
          HN    LYS+  99 - QB    LEU   98   3.02 +/- 0.25  99.379% * 97.1892% (0.27   3.62  15.74) =  99.993%  kept
          HN    ASN   35 - QB    LEU   98   8.01 +/- 0.49   0.367% *  1.4544% (0.72   0.02   0.02) =   0.006%
          HE1   HIS  122 - QB    LEU   98   9.81 +/- 2.72   0.252% *  0.4342% (0.22   0.02   0.02) =   0.001%
          HN    ALA   12 - QB    LEU   98  24.13 +/- 2.34   0.001% *  0.6535% (0.33   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    LEU   98  20.63 +/- 1.41   0.001% *  0.2687% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3083 (9.02, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 2.5, residual support = 18.0:
          HN    VAL   41 - QB    LEU   98   3.85 +/- 0.22 100.000% *100.0000% (0.85   2.50  17.95) = 100.000%  kept
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3084 (9.69, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 5.16, residual support = 81.3:
      O   HN    LEU   98 - QB    LEU   98   3.02 +/- 0.25 100.000% *100.0000% (0.85   5.16  81.31) = 100.000%  kept
    Distance limit 3.35 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 = 81.3:
      O   HA    LEU   98 - HG    LEU   98   3.37 +/- 0.37 100.000% *100.0000% (0.69   4.04  81.31) = 100.000%  kept
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3086 (9.69, 1.35, 27.95 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.02, residual support = 81.3:
          HN    LEU   98 - HG    LEU   98   2.68 +/- 0.72 100.000% *100.0000% (0.98   4.02  81.31) = 100.000%  kept
    Distance limit 3.78 A violated in 1 structures by 0.04 A, kept.
 
    Peak 3087 (4.31, 0.71, 25.69 ppm):
    9 chemical-shift based assignments, quality = 0.249, support = 4.05, residual support = 27.7:
        T HA    ILE  103 - QD1   LEU   98   2.78 +/- 0.28  98.832% * 90.5057% (0.25   4.05  27.71) =  99.984%  kept
        T HA    LEU  104 - QD1   LEU   98   6.21 +/- 0.28   0.854% *  1.3709% (0.76   0.02   7.82) =   0.013%
          HA    ASP-  44 - QD1   LEU   98   8.15 +/- 1.59   0.300% *  0.7375% (0.41   0.02   0.02) =   0.002%
          HA    ASP-  86 - QD1   LEU   98  15.72 +/- 0.82   0.004% *  1.7899% (1.00   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   LEU   98  14.33 +/- 1.39   0.007% *  0.6119% (0.34   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   98  19.38 +/- 1.14   0.001% *  1.7899% (1.00   0.02   0.02) =   0.000%
          HA    SER   85 - QD1   LEU   98  17.29 +/- 0.98   0.002% *  0.6119% (0.34   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   98  23.01 +/- 1.80   0.000% *  1.7780% (0.99   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   LEU   98  24.21 +/- 2.23   0.000% *  0.8043% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3088 (7.20, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.75, support = 0.0199, residual support = 0.0199:
          HD1   TRP   27 - QD1   LEU   98  10.14 +/- 0.55  38.101% * 33.8723% (0.84   0.02   0.02) =  44.766%  kept
          QD    PHE   59 - QD1   LEU   98  10.83 +/- 1.26  26.736% * 33.8723% (0.84   0.02   0.02) =  31.413%  kept
          HE21  GLN   30 - QD1   LEU   98  10.36 +/- 1.00  34.147% * 19.7390% (0.49   0.02   0.02) =  23.380%  kept
          HH2   TRP   49 - QD1   LEU   98  18.74 +/- 1.69   1.017% * 12.5164% (0.31   0.02   0.02) =   0.441%
    Distance limit 3.60 A violated in 20 structures by 4.99 A, eliminated.
    Peak unassigned.
 
    Peak 3089 (0.61, 1.77, 37.34 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 3.45, residual support = 19.3:
        T QD1   LEU  104 - HB2   LYS+  99   2.03 +/- 0.16  99.987% * 97.7472% (0.69   3.45  19.31) = 100.000%  kept
        T QD1   LEU   63 - HB2   LYS+  99  10.36 +/- 0.72   0.007% *  0.1272% (0.15   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LYS+  99  10.95 +/- 0.78   0.005% *  0.1272% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LYS+  99  16.98 +/- 0.80   0.000% *  0.8228% (1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LYS+  99  14.79 +/- 0.66   0.001% *  0.3390% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LYS+  99  17.04 +/- 0.78   0.000% *  0.3697% (0.45   0.02   0.02) =   0.000%
        T QG2   ILE   89 - HB2   LYS+  99  18.43 +/- 0.63   0.000% *  0.4669% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3090 (0.98, 1.77, 37.34 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 2.21, residual support = 12.5:
        T QD2   LEU   40 - HB2   LYS+  99   2.92 +/- 0.74  98.151% * 95.6698% (0.95   2.21  12.46) =  99.984%  kept
          QG2   ILE  103 - HB2   LYS+  99   6.94 +/- 0.12   1.061% *  0.9132% (1.00   0.02   0.02) =   0.010%
          QD1   LEU   67 - HB2   LYS+  99   8.40 +/- 1.60   0.333% *  0.8833% (0.97   0.02   0.02) =   0.003%
          QD1   ILE  103 - HB2   LYS+  99   8.23 +/- 0.35   0.387% *  0.4455% (0.49   0.02   0.02) =   0.002%
          QD2   LEU   71 - HB2   LYS+  99  11.23 +/- 0.79   0.044% *  0.5551% (0.61   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  99  13.37 +/- 0.62   0.018% *  0.2825% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LYS+  99  19.88 +/- 0.86   0.002% *  0.9071% (0.99   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LYS+  99  17.14 +/- 1.06   0.004% *  0.3435% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3091 (8.35, 1.77, 37.34 ppm):
    5 chemical-shift based assignments, quality = 0.309, support = 4.73, residual support = 172.3:
      O   HN    LYS+  99 - HB2   LYS+  99   3.03 +/- 0.12  99.076% * 97.8371% (0.31   4.73 172.32) =  99.996%  kept
          HE1   HIS  122 - HB2   LYS+  99   8.76 +/- 3.09   0.869% *  0.3341% (0.25   0.02   0.02) =   0.003%
          HN    ASN   35 - HB2   LYS+  99  11.01 +/- 0.81   0.054% *  1.1192% (0.84   0.02   0.02) =   0.001%
          HN    ALA   12 - HB2   LYS+  99  25.95 +/- 2.87   0.000% *  0.5029% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+  99  22.81 +/- 1.60   0.001% *  0.2067% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 5.07, residual support = 172.3:
      O   HN    LYS+  99 - HA    LYS+  99   2.89 +/- 0.02  99.643% * 99.2016% (0.80   5.07 172.32) =  99.999%  kept
          HE1   HIS  122 - HA    LYS+  99  10.15 +/- 2.89   0.144% *  0.3549% (0.73   0.02   0.02) =   0.001%
          HN    ASN   35 - HA    LYS+  99   8.27 +/- 0.65   0.213% *  0.1667% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  99  21.32 +/- 1.60   0.001% *  0.2767% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 6.78, residual support = 40.1:
      O   HN    GLU- 100 - HA    LYS+  99   2.20 +/- 0.03 100.000% *100.0000% (0.84   6.78  40.14) = 100.000%  kept
    Distance limit 2.99 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 = 0.852, support = 5.23, residual support = 180.4:
      O   QE    LYS+  99 - HG2   LYS+  99   2.61 +/- 0.38  48.564% * 81.1094% (0.99   5.39 172.32) =  81.088%  kept
      O   QE    LYS+  38 - HG2   LYS+  38   2.61 +/- 0.50  51.180% * 17.9486% (0.26   4.58 215.13) =  18.911%  kept
          QE    LYS+  38 - HG2   LYS+  99   7.72 +/- 0.93   0.134% *  0.2874% (0.95   0.02   0.02) =   0.001%
          QE    LYS+ 102 - HG2   LYS+  99   9.33 +/- 0.50   0.026% *  0.2322% (0.76   0.02   1.32) =   0.000%
          QE    LYS+  99 - HG2   LYS+  38   8.04 +/- 0.75   0.066% *  0.0821% (0.27   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  99   9.57 +/- 0.26   0.020% *  0.1036% (0.34   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  38  11.97 +/- 1.58   0.008% *  0.0633% (0.21   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  99  18.48 +/- 0.70   0.000% *  0.1140% (0.38   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  38  15.72 +/- 0.63   0.001% *  0.0282% (0.09   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  38  17.93 +/- 0.76   0.000% *  0.0311% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3096 (4.38, 1.33, 26.01 ppm):
    18 chemical-shift based assignments, quality = 0.835, support = 7.08, residual support = 172.3:
      O T HA    LYS+  99 - HG2   LYS+  99   2.66 +/- 0.35  79.944% * 97.7687% (0.84   7.08 172.32) =  99.961%  kept
          HA    LEU   40 - HG2   LYS+  99   3.64 +/- 0.43  12.653% *  0.1872% (0.57   0.02  12.46) =   0.030%
          HA    ASN   35 - HG2   LYS+  38   4.46 +/- 0.67   6.946% *  0.0853% (0.26   0.02   0.02) =   0.008%
          HA    ASN   35 - HG2   LYS+  99   7.97 +/- 0.75   0.157% *  0.3128% (0.95   0.02   0.02) =   0.001%
        T HA    LYS+  99 - HG2   LYS+  38   7.75 +/- 0.88   0.210% *  0.0753% (0.23   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   LYS+  38   8.68 +/- 0.28   0.081% *  0.0510% (0.15   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  99  14.30 +/- 0.92   0.004% *  0.3300% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  99  17.45 +/- 1.34   0.001% *  0.1241% (0.38   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  99  22.20 +/- 0.34   0.000% *  0.3191% (0.97   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  38  17.95 +/- 2.28   0.001% *  0.0338% (0.10   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  38  21.03 +/- 1.22   0.000% *  0.0899% (0.27   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  99  22.36 +/- 0.39   0.000% *  0.1360% (0.41   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  99  22.62 +/- 2.06   0.000% *  0.1241% (0.38   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  99  24.58 +/- 0.42   0.000% *  0.1610% (0.49   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  38  21.68 +/- 3.05   0.000% *  0.0338% (0.10   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  38  27.45 +/- 1.13   0.000% *  0.0870% (0.26   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  38  27.17 +/- 1.46   0.000% *  0.0371% (0.11   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  38  31.19 +/- 1.03   0.000% *  0.0439% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.663, support = 0.0199, residual support = 1.09:
          HA    LEU   40 - HA    GLU- 100   6.39 +/- 0.43  17.792% * 11.5542% (0.80   0.02   0.02) =  66.544%  kept
          HA    SER   37 - HA    GLU- 100   8.34 +/- 1.11   4.486% * 11.0274% (0.76   0.02   0.02) =  16.011%  kept
          HA    SER   37 - HA    LYS+  38   5.20 +/- 0.16  57.240% *  0.6663% (0.05   0.02   8.68) =  12.346%  kept
          HA    LEU   40 - HA    LYS+  38   6.26 +/- 0.29  19.463% *  0.6982% (0.05   0.02   0.02) =   4.399%  kept
          HA    VAL   42 - HA    GLU- 100  12.03 +/- 0.36   0.374% *  3.2125% (0.22   0.02   0.02) =   0.389%
          HA    GLU-  15 - HA    GLU- 100  19.42 +/- 1.33   0.023% * 13.6497% (0.95   0.02   0.02) =   0.103%
          HA    GLN   17 - HA    GLU- 100  20.57 +/- 0.64   0.015% * 11.0274% (0.76   0.02   0.02) =   0.054%
          HA    SER   13 - HA    GLU- 100  24.15 +/- 2.32   0.007% * 13.6497% (0.95   0.02   0.02) =   0.030%
          HA    VAL   42 - HA    LYS+  38  11.86 +/- 0.20   0.407% *  0.1941% (0.01   0.02   0.02) =   0.026%
          HA    LEU  123 - HA    GLU- 100  18.70 +/- 0.81   0.028% *  2.8556% (0.20   0.02   0.02) =   0.025%
          HA    THR   46 - HA    GLU- 100  24.55 +/- 0.37   0.005% * 12.0525% (0.84   0.02   0.02) =   0.020%
          HA    GLU-  15 - HA    LYS+  38  16.72 +/- 1.68   0.065% *  0.8248% (0.06   0.02   0.02) =   0.017%
        T HA    PRO   58 - HA    GLU- 100  25.69 +/- 0.32   0.004% * 13.3201% (0.92   0.02   0.02) =   0.017%
          HA    GLN   17 - HA    LYS+  38  18.58 +/- 1.13   0.029% *  0.6663% (0.05   0.02   0.02) =   0.006%
          HA    SER   13 - HA    LYS+  38  21.09 +/- 2.53   0.017% *  0.8248% (0.06   0.02   0.02) =   0.005%
          HA    ILE   56 - HA    GLU- 100  25.17 +/- 0.38   0.004% *  1.9528% (0.14   0.02   0.02) =   0.003%
          HA    LEU  123 - HA    LYS+  38  19.14 +/- 1.06   0.024% *  0.1726% (0.01   0.02   0.02) =   0.001%
          HA    THR   46 - HA    LYS+  38  24.17 +/- 0.35   0.006% *  0.7283% (0.05   0.02   0.02) =   0.001%
        T HA    PRO   58 - HA    LYS+  38  24.92 +/- 0.68   0.005% *  0.8049% (0.06   0.02   0.02) =   0.001%
          HA    ILE   56 - HA    LYS+  38  25.07 +/- 0.48   0.005% *  0.1180% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 20 structures by 1.08 A, eliminated.
    Peak unassigned.
 
    Peak 3098 (8.85, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.86, residual support = 14.9:
      O   HN    GLY  101 - HA    GLU- 100   3.14 +/- 0.18  91.839% * 99.9687% (1.00   3.86  14.95) =  99.997%  kept
          HN    GLY  101 - HA    LYS+  38   5.34 +/- 1.48   8.161% *  0.0313% (0.06   0.02   0.02) =   0.003%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3099 (10.12, 3.81, 57.72 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.39, residual support = 72.7:
      O   HN    GLU- 100 - HA    GLU- 100   2.19 +/- 0.05  89.697% * 99.9811% (0.84   6.39  72.68) =  99.998%  kept
          HN    GLU- 100 - HA    LYS+  38   3.73 +/- 1.31  10.303% *  0.0189% (0.05   0.02   0.02) =   0.002%
    Distance limit 2.97 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 = 0.709, support = 0.0197, residual support = 0.0197:
          HA    VAL   70 - HB2   GLU- 100  12.38 +/- 0.36  24.143% * 11.7220% (0.84   0.02   0.02) =  39.662%  kept
        T HA    LYS+  33 - HB2   GLU- 100  13.87 +/- 0.73  12.009% * 14.0027% (1.00   0.02   0.02) =  23.566%  kept
          HB2   SER   37 - HB2   GLU- 100  11.63 +/- 1.31  37.609% *  2.7773% (0.20   0.02   0.02) =  14.638%  kept
        T HA    GLN   32 - HB2   GLU- 100  12.73 +/- 0.82  21.071% *  4.3315% (0.31   0.02   0.02) =  12.791%  kept
        T HA    GLU-  29 - HB2   GLU- 100  18.31 +/- 0.79   2.319% * 13.7559% (0.98   0.02   0.02) =   4.471%  kept
          HA    VAL   18 - HB2   GLU- 100  19.32 +/- 0.38   1.674% * 13.5436% (0.97   0.02   0.02) =   3.177%  kept
        T HA    GLN  116 - HB2   GLU- 100  23.45 +/- 0.46   0.532% * 11.7220% (0.84   0.02   0.02) =   0.874%
          HB2   SER   82 - HB2   GLU- 100  25.51 +/- 0.92   0.322% * 12.9548% (0.92   0.02   0.02) =   0.585%
          HA    SER   48 - HB2   GLU- 100  30.67 +/- 0.51   0.105% *  7.9453% (0.57   0.02   0.02) =   0.117%
          HA    ALA   88 - HB2   GLU- 100  29.47 +/- 0.69   0.136% *  4.7871% (0.34   0.02   0.02) =   0.091%
          HD2   PRO   52 - HB2   GLU- 100  32.24 +/- 1.29   0.079% *  2.4578% (0.18   0.02   0.02) =   0.027%
    Distance limit 3.44 A violated in 20 structures by 6.30 A, eliminated.
    Peak unassigned.
 
    Peak 3103 (1.31, 2.23, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.17, residual support = 40.1:
          HG2   LYS+  99 - HG2   GLU- 100   3.24 +/- 0.17  95.108% * 97.4438% (0.45   5.17  40.14) =  99.975%  kept
          HG2   LYS+  38 - HG2   GLU- 100   5.96 +/- 1.50   4.875% *  0.4762% (0.57   0.02   0.02) =   0.025%
          HB2   LEU   31 - HG2   GLU- 100  14.38 +/- 0.78   0.014% *  0.1473% (0.18   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   GLU- 100  21.25 +/- 0.46   0.001% *  0.8245% (0.98   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   GLU- 100  26.61 +/- 0.86   0.000% *  0.7544% (0.90   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   GLU- 100  22.70 +/- 0.50   0.001% *  0.1665% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG2   GLU- 100  26.25 +/- 0.48   0.000% *  0.1873% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3104 (1.31, 2.12, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 4.12, residual support = 40.1:
          HG2   LYS+  99 - HG3   GLU- 100   2.40 +/- 0.52  99.690% * 96.8119% (0.45   4.12  40.14) =  99.998%  kept
          HG2   LYS+  38 - HG3   GLU- 100   7.10 +/- 1.55   0.305% *  0.5940% (0.57   0.02   0.02) =   0.002%
          HB2   LEU   31 - HG3   GLU- 100  14.28 +/- 0.86   0.004% *  0.1837% (0.18   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLU- 100  20.32 +/- 0.34   0.001% *  1.0283% (0.98   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLU- 100  25.74 +/- 0.68   0.000% *  0.9409% (0.90   0.02   0.02) =   0.000%
          QG2   THR   23 - HG3   GLU- 100  22.44 +/- 0.48   0.000% *  0.2076% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   GLU- 100  24.69 +/- 0.46   0.000% *  0.2336% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3105 (3.81, 2.12, 38.95 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 4.47, residual support = 72.7:
      O   HA    GLU- 100 - HG3   GLU- 100   3.21 +/- 0.26  94.308% * 98.8312% (1.00   4.47  72.68) =  99.995%  kept
          HA    LYS+  38 - HG3   GLU- 100   5.60 +/- 1.38   5.691% *  0.0877% (0.20   0.02   0.02) =   0.005%
          HA    VAL   83 - HG3   GLU- 100  23.85 +/- 0.58   0.001% *  0.4432% (1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   GLU- 100  26.07 +/- 0.28   0.000% *  0.4393% (0.99   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLU- 100  28.11 +/- 0.65   0.000% *  0.1987% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3106 (10.11, 2.12, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.33, residual support = 72.7:
          HN    GLU- 100 - HG3   GLU- 100   2.80 +/- 0.31 100.000% *100.0000% (0.97   4.33  72.68) = 100.000%  kept
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3107 (10.12, 2.23, 38.95 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 6.52, residual support = 72.7:
          HN    GLU- 100 - HG2   GLU- 100   3.22 +/- 0.42 100.000% *100.0000% (0.84   6.52  72.68) = 100.000%  kept
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3108 (7.76, 1.81, 34.65 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 4.66, residual support = 159.2:
      O   HN    LYS+ 102 - QB    LYS+ 102   2.59 +/- 0.13  99.512% * 98.4484% (1.00   4.66 159.17) =  99.999%  kept
          HN    THR   39 - HB    VAL   41   7.33 +/- 0.77   0.237% *  0.1154% (0.27   0.02   0.12) =   0.000%
          HN    LYS+ 102 - HB    VAL   41   8.29 +/- 0.96   0.136% *  0.1899% (0.45   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB    VAL   41   8.81 +/- 0.87   0.079% *  0.1836% (0.43   0.02   0.02) =   0.000%
          HN    THR   39 - QB    LYS+ 102  10.48 +/- 0.77   0.025% *  0.2569% (0.61   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    LYS+ 102  12.62 +/- 0.90   0.008% *  0.4087% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    LYS+ 102  18.68 +/- 0.57   0.001% *  0.2740% (0.65   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    VAL   41  16.83 +/- 1.11   0.002% *  0.1231% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 5.47, residual support = 22.4:
          HN    ILE  103 - QB    LYS+ 102   3.23 +/- 0.26  99.824% * 98.9488% (1.00   5.47  22.42) = 100.000%  kept
          HN    ILE  103 - HB    VAL   41   9.90 +/- 0.99   0.160% *  0.1626% (0.45   0.02   0.02) =   0.000%
          HN    GLY  109 - QB    LYS+ 102  17.14 +/- 0.41   0.005% *  0.1903% (0.53   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    VAL   41  17.53 +/- 1.11   0.005% *  0.0855% (0.24   0.02   0.02) =   0.000%
          HN    GLN   90 - QB    LYS+ 102  22.48 +/- 0.94   0.001% *  0.3422% (0.95   0.02   0.02) =   0.000%
          HN    GLN   90 - HB    VAL   41  20.57 +/- 1.18   0.002% *  0.1538% (0.43   0.02   0.02) =   0.000%
          HN    SER   82 - HB    VAL   41  18.72 +/- 0.73   0.003% *  0.0362% (0.10   0.02   0.02) =   0.000%
          HN    SER   82 - QB    LYS+ 102  22.87 +/- 0.92   0.001% *  0.0805% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3110 (7.78, 1.45, 25.01 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 4.41, residual support = 159.2:
          HN    LYS+ 102 - HG2   LYS+ 102   3.43 +/- 0.32  98.858% * 99.2106% (0.73   4.41 159.17) =  99.997%  kept
          HN    ASP- 105 - HG2   LYS+ 102   9.31 +/- 1.33   1.033% *  0.2325% (0.38   0.02   0.02) =   0.002%
          HN    GLU-  36 - HG2   LYS+ 102  13.50 +/- 1.20   0.032% *  0.3259% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - HG2   LYS+ 102  11.73 +/- 0.79   0.074% *  0.1085% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG2   LYS+ 102  21.29 +/- 0.94   0.002% *  0.1226% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3111 (3.95, 4.28, 62.30 ppm):
    20 chemical-shift based assignments, quality = 0.606, support = 0.0178, residual support = 0.0178:
          HB    THR   94 - HA    ILE  103  12.75 +/- 0.30  23.783% *  8.0503% (0.76   0.02   0.02) =  32.671%  kept
          HA    LYS+ 121 - HA    ILE  103  12.87 +/- 0.41  22.434% *  7.2359% (0.69   0.02   0.02) =  27.700%  kept
          HA    ALA  120 - HA    ILE  103  16.45 +/- 0.38   5.130% * 10.4407% (0.99   0.02   0.02) =   9.140%  kept
        T QB    SER  117 - HA    ILE  103  14.16 +/- 0.36  12.538% *  3.5932% (0.34   0.02   0.02) =   7.688%  kept
          HA2   GLY   16 - HA    THR   39  15.03 +/- 1.47  10.643% *  3.1212% (0.30   0.02   0.02) =   5.668%  kept
          HA    LYS+  65 - HA    THR   39  15.59 +/- 0.66   7.138% *  2.9069% (0.28   0.02   0.02) =   3.541%  kept
          HA    LYS+  65 - HA    ILE  103  19.65 +/- 0.57   1.768% *  8.7987% (0.84   0.02   0.02) =   2.655%  kept
          HA    LYS+ 121 - HA    THR   39  16.28 +/- 0.72   5.553% *  2.3906% (0.23   0.02   0.02) =   2.265%
          HA2   GLY   16 - HA    ILE  103  21.13 +/- 1.03   1.162% *  9.4472% (0.90   0.02   0.02) =   1.873%
          HA    ALA  120 - HA    THR   39  17.95 +/- 0.80   3.134% *  3.4494% (0.33   0.02   0.02) =   1.844%
        T QB    SER   85 - HA    ILE  103  21.24 +/- 0.53   1.117% *  9.4472% (0.90   0.02   0.02) =   1.800%
        T QB    SER   48 - HA    ILE  103  22.47 +/- 0.43   0.795% *  9.1375% (0.87   0.02   0.02) =   1.240%
          HB    THR   94 - HA    THR   39  20.61 +/- 0.23   1.323% *  2.6597% (0.25   0.02   0.02) =   0.601%
        T QB    SER  117 - HA    THR   39  19.62 +/- 0.57   1.786% *  1.1871% (0.11   0.02   0.02) =   0.362%
        T HA2   GLY   51 - HA    ILE  103  26.49 +/- 0.44   0.293% *  6.3892% (0.61   0.02   0.02) =   0.320%
        T HD2   PRO   52 - HA    ILE  103  24.71 +/- 1.18   0.459% *  2.6267% (0.25   0.02   0.02) =   0.206%
        T QB    SER   48 - HA    THR   39  25.53 +/- 0.77   0.376% *  3.0188% (0.29   0.02   0.02) =   0.194%
        T QB    SER   85 - HA    THR   39  26.13 +/- 0.54   0.324% *  3.1212% (0.30   0.02   0.02) =   0.172%
        T HA2   GLY   51 - HA    THR   39  30.98 +/- 0.29   0.114% *  2.1109% (0.20   0.02   0.02) =   0.041%
        T HD2   PRO   52 - HA    THR   39  30.41 +/- 1.14   0.130% *  0.8678% (0.08   0.02   0.02) =   0.019%
    Distance limit 3.23 A violated in 20 structures by 7.09 A, eliminated.
    Peak unassigned.
 
    Peak 3113 (9.38, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.92, residual support = 37.9:
      O   HN    LEU  104 - HA    ILE  103   2.18 +/- 0.01  99.980% * 99.6530% (0.92   6.92  37.92) = 100.000%  kept
          HN    LEU  104 - HA    THR   39  10.33 +/- 0.24   0.009% *  0.0952% (0.30   0.02   0.02) =   0.000%
          HN    PHE   72 - HA    THR   39  10.22 +/- 0.29   0.010% *  0.0625% (0.20   0.02   0.02) =   0.000%
          HN    PHE   72 - HA    ILE  103  14.01 +/- 0.26   0.001% *  0.1893% (0.61   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 0.347, support = 3.89, residual support = 37.4:
      O   HN    THR   39 - HA    THR   39   2.75 +/- 0.03  96.387% * 34.0356% (0.33   3.90  38.38) =  93.931%  kept
          HN    LYS+ 102 - HA    ILE  103   4.82 +/- 0.13   3.341% * 63.4286% (0.65   3.68  22.42) =   6.068%  kept
          HN    GLU-  36 - HA    THR   39   8.61 +/- 0.74   0.155% *  0.1470% (0.28   0.02   0.21) =   0.001%
          HN    LYS+ 102 - HA    THR   39   8.88 +/- 0.51   0.090% *  0.1139% (0.21   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE  103  11.96 +/- 0.51   0.015% *  0.5281% (0.99   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  14.23 +/- 0.67   0.005% *  0.4450% (0.84   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  16.99 +/- 0.47   0.002% *  0.5316% (1.00   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  18.40 +/- 0.61   0.001% *  0.2593% (0.49   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE  103  18.02 +/- 0.34   0.001% *  0.0822% (0.15   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  18.27 +/- 0.62   0.001% *  0.0857% (0.16   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  20.47 +/- 1.29   0.001% *  0.1054% (0.20   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  24.08 +/- 0.66   0.000% *  0.1756% (0.33   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    THR   39  18.83 +/- 0.32   0.001% *  0.0272% (0.05   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  27.70 +/- 1.01   0.000% *  0.0348% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 4.05, residual support = 27.7:
        T QD1   LEU   98 - HA    ILE  103   2.78 +/- 0.28  99.888% * 98.2713% (0.41   4.05  27.71) = 100.000%  kept
          QD1   LEU   98 - HA    THR   39   9.43 +/- 0.68   0.089% *  0.1605% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   19 - HA    ILE  103  14.03 +/- 0.55   0.007% *  1.1788% (1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - HA    THR   39  12.22 +/- 0.41   0.016% *  0.3894% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3116 (7.78, 0.98, 18.17 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 2.8, residual support = 5.8:
          HN    ASP- 105 - QG2   ILE  103   2.38 +/- 0.19  99.716% * 96.9964% (0.38   2.80   5.80) =  99.996%  kept
          HN    LYS+ 102 - QG2   ILE  103   6.45 +/- 0.10   0.274% *  1.3420% (0.73   0.02  22.42) =   0.004%
          HN    GLU-  36 - QG2   ILE  103  14.56 +/- 0.57   0.002% *  0.9723% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   ILE  103  12.60 +/- 0.43   0.005% *  0.3236% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   ILE  103  13.86 +/- 0.41   0.003% *  0.3657% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3117 (9.39, 0.98, 18.17 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 6.66, residual support = 37.9:
          HN    LEU  104 - QG2   ILE  103   3.09 +/- 0.07  99.984% * 99.9414% (0.90   6.66  37.92) = 100.000%  kept
          HN    PHE   72 - QG2   ILE  103  13.33 +/- 0.24   0.016% *  0.0586% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3118 (8.62, 1.86, 38.31 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 138.2:
      O   HN    ILE  103 - HB    ILE  103   2.07 +/- 0.02  99.999% * 99.4997% (1.00   6.74 138.21) = 100.000%  kept
          HN    GLY  109 - HB    ILE  103  14.02 +/- 0.44   0.001% *  0.1553% (0.53   0.02   0.02) =   0.000%
          HN    GLN   90 - HB    ILE  103  20.20 +/- 0.94   0.000% *  0.2792% (0.95   0.02   0.02) =   0.000%
          HN    SER   82 - HB    ILE  103  22.25 +/- 0.99   0.000% *  0.0657% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.13 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   2.31 +/- 0.26  99.770% * 93.3707% (0.20   5.98 138.21) =  99.998%  kept
          HA    LEU  104 - HG12  ILE  103   6.48 +/- 0.24   0.221% *  0.9572% (0.61   0.02  37.92) =   0.002%
          HA    ASP-  44 - HG12  ILE  103  11.23 +/- 0.80   0.008% *  0.5149% (0.33   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG12  ILE  103  19.29 +/- 0.63   0.000% *  1.2498% (0.80   0.02   0.02) =   0.000%
          HB    THR   77 - HG12  ILE  103  18.19 +/- 0.60   0.000% *  0.4273% (0.27   0.02   0.02) =   0.000%
          HA    SER   85 - HG12  ILE  103  21.43 +/- 0.48   0.000% *  0.4273% (0.27   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG12  ILE  103  25.60 +/- 1.34   0.000% *  1.2498% (0.80   0.02   0.02) =   0.000%
          HA    ALA   12 - HG12  ILE  103  29.84 +/- 2.25   0.000% *  1.2415% (0.79   0.02   0.02) =   0.000%
          HA    MET   11 - HG12  ILE  103  31.26 +/- 2.86   0.000% *  0.5616% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3120 (8.62, 1.82, 28.60 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.93, residual support = 138.2:
          HN    ILE  103 - HG12  ILE  103   3.14 +/- 0.30  99.975% * 99.5133% (0.80   6.93 138.21) = 100.000%  kept
          HN    GLY  109 - HG12  ILE  103  13.63 +/- 0.62   0.020% *  0.1511% (0.42   0.02   0.02) =   0.000%
          HN    GLN   90 - HG12  ILE  103  18.83 +/- 0.94   0.003% *  0.2717% (0.76   0.02   0.02) =   0.000%
          HN    SER   82 - HG12  ILE  103  20.13 +/- 0.92   0.002% *  0.0639% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 1 structures by 0.03 A, kept.
 
    Peak 3121 (1.18, 1.82, 28.60 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 4.3, residual support = 138.2:
      O T HG13  ILE  103 - HG12  ILE  103   1.75 +/- 0.00  99.987% * 98.4090% (0.58   4.30 138.21) = 100.000%  kept
          QG2   THR   94 - HG12  ILE  103   8.10 +/- 0.47   0.011% *  0.4812% (0.61   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  103  11.14 +/- 0.59   0.002% *  0.1751% (0.22   0.02   0.02) =   0.000%
        T HB3   LEU   71 - HG12  ILE  103  13.78 +/- 0.59   0.000% *  0.1943% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG12  ILE  103  21.81 +/- 0.68   0.000% *  0.5042% (0.64   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG12  ILE  103  22.70 +/- 0.88   0.000% *  0.2363% (0.30   0.02   0.02) =   0.000%
    Distance limit 2.62 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 = 0.486, support = 4.78, residual support = 138.2:
      O T QD1   ILE  103 - HG12  ILE  103   2.15 +/- 0.01  88.341% * 29.4883% (0.39   4.62 138.21) =  76.562%  kept
      O T QG2   ILE  103 - HG12  ILE  103   3.06 +/- 0.20  11.489% * 69.4121% (0.80   5.31 138.21) =  23.437%  kept
          QD2   LEU   40 - HG12  ILE  103   6.33 +/- 0.61   0.162% *  0.2481% (0.76   0.02   0.02) =   0.001%
          QD1   LEU   67 - HG12  ILE  103  11.54 +/- 1.35   0.005% *  0.2531% (0.77   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG12  ILE  103  13.62 +/- 0.54   0.001% *  0.1591% (0.49   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  103  12.91 +/- 0.70   0.002% *  0.0984% (0.30   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  103  17.90 +/- 0.74   0.000% *  0.2599% (0.79   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG12  ILE  103  15.18 +/- 0.67   0.001% *  0.0809% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3123 (0.70, 1.82, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.718, support = 5.06, residual support = 27.7:
          QD1   LEU   98 - HG12  ILE  103   2.13 +/- 0.32  99.998% * 99.7159% (0.72   5.06  27.71) = 100.000%  kept
          QG2   ILE   19 - HG12  ILE  103  13.77 +/- 0.72   0.002% *  0.2841% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3124 (0.95, 1.16, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.751, support = 4.05, residual support = 138.2:
      O   QD1   ILE  103 - HG13  ILE  103   2.15 +/- 0.01  62.455% * 79.5862% (0.84   3.97 138.21) =  87.173%  kept
      O   QG2   ILE  103 - HG13  ILE  103   2.37 +/- 0.23  37.543% * 19.4818% (0.18   4.63 138.21) =  12.827%  kept
          QD2   LEU   71 - HG13  ILE  103  13.87 +/- 0.42   0.001% *  0.3487% (0.73   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG13  ILE  103  14.50 +/- 0.48   0.001% *  0.4634% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  103  17.33 +/- 0.52   0.000% *  0.1197% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3125 (0.70, 1.16, 28.60 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 2.3, residual support = 27.7:
          QD1   LEU   98 - HG13  ILE  103   2.62 +/- 0.64  99.989% * 99.3771% (0.90   2.30  27.71) = 100.000%  kept
          QG2   ILE   19 - HG13  ILE  103  13.82 +/- 0.65   0.011% *  0.6229% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3126 (7.17, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 0.02, residual support = 0.02:
          QD    PHE   59 - QD1   ILE  103  11.84 +/- 0.54  38.738% * 17.5479% (0.45   0.02   0.02) =  33.001%  kept
          HD1   TRP   27 - QD1   ILE  103  11.86 +/- 0.75  38.015% * 17.5479% (0.45   0.02   0.02) =  32.385%  kept
          HE21  GLN   30 - QD1   ILE  103  13.19 +/- 1.00  20.466% * 30.1124% (0.77   0.02   0.02) =  29.917%  kept
          HH2   TRP   49 - QD1   ILE  103  18.57 +/- 1.05   2.781% * 34.7918% (0.89   0.02   0.02) =   4.697%  kept
    Distance limit 4.06 A violated in 20 structures by 5.97 A, eliminated.
    Peak unassigned.
 
    Peak 3127 (7.70, 0.96, 13.94 ppm):
    6 chemical-shift based assignments, quality = 0.564, support = 0.02, residual support = 0.02:
          HE3   TRP   87 - QD1   ILE  103  12.03 +/- 0.51  44.778% * 16.9137% (0.52   0.02   0.02) =  46.007%  kept
          HN    TRP   87 - QD1   ILE  103  13.81 +/- 0.48  19.550% * 21.6935% (0.67   0.02   0.02) =  25.762%  kept
          HD21  ASN   69 - QD1   ILE  103  15.98 +/- 1.24   9.495% * 20.5212% (0.63   0.02   0.02) =  11.836%  kept
          HN    GLN   17 - QD1   ILE  103  17.94 +/- 0.70   4.282% * 25.9142% (0.80   0.02   0.02) =   6.740%  kept
          HN    ALA   91 - QD1   ILE  103  14.88 +/- 1.35  13.855% *  6.6512% (0.21   0.02   0.02) =   5.598%  kept
          HN    ALA   61 - QD1   ILE  103  16.05 +/- 0.45   8.040% *  8.3063% (0.26   0.02   0.02) =   4.057%  kept
    Distance limit 3.71 A violated in 20 structures by 6.80 A, eliminated.
    Peak unassigned.
 
    Peak 3128 (8.62, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.68, residual support = 138.2:
          HN    ILE  103 - QD1   ILE  103   3.22 +/- 0.59  99.803% * 99.4071% (0.92   5.68 138.21) = 100.000%  kept
          HN    GLY  109 - QD1   ILE  103  10.50 +/- 0.73   0.168% *  0.1841% (0.49   0.02   0.02) =   0.000%
          HN    GLN   90 - QD1   ILE  103  14.78 +/- 0.97   0.020% *  0.3310% (0.87   0.02   0.02) =   0.000%
          HN    SER   82 - QD1   ILE  103  16.39 +/- 0.84   0.009% *  0.0779% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.01 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   2.77 +/- 0.41  99.238% * 96.6837% (0.73   5.40 138.21) =  99.999%  kept
          HA    LEU  104 - HG13  ILE  103   6.49 +/- 0.28   0.693% *  0.1372% (0.28   0.02  37.92) =   0.001%
          HA    ASP-  44 - HG13  ILE  103  10.36 +/- 0.39   0.053% *  0.4424% (0.90   0.02   0.02) =   0.000%
          HA    THR   39 - HG13  ILE  103  13.27 +/- 0.59   0.010% *  0.1372% (0.28   0.02   0.02) =   0.000%
          HB    THR   77 - HG13  ILE  103  17.42 +/- 0.54   0.002% *  0.4120% (0.84   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG13  ILE  103  19.13 +/- 0.71   0.001% *  0.3582% (0.73   0.02   0.02) =   0.000%
          HA    SER   85 - HG13  ILE  103  21.06 +/- 0.49   0.001% *  0.4120% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG13  ILE  103  21.47 +/- 0.56   0.001% *  0.1683% (0.34   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG13  ILE  103  25.68 +/- 1.00   0.000% *  0.3191% (0.65   0.02   0.02) =   0.000%
          HA    ALA   12 - HG13  ILE  103  30.06 +/- 1.90   0.000% *  0.3770% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - HG13  ILE  103  31.59 +/- 2.67   0.000% *  0.4554% (0.92   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG13  ILE  103  24.85 +/- 0.80   0.000% *  0.0976% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3130 (8.62, 1.16, 28.60 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 6.24, residual support = 138.2:
          HN    ILE  103 - HG13  ILE  103   4.03 +/- 0.29  99.831% * 99.4594% (1.00   6.24 138.21) = 100.000%  kept
          HN    GLY  109 - HG13  ILE  103  12.31 +/- 0.69   0.148% *  0.1678% (0.53   0.02   0.02) =   0.000%
          HN    GLN   90 - HG13  ILE  103  18.02 +/- 0.89   0.014% *  0.3018% (0.95   0.02   0.02) =   0.000%
          HN    SER   82 - HG13  ILE  103  20.02 +/- 0.94   0.007% *  0.0710% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3131 (8.60, 0.98, 18.17 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.31, residual support = 138.2:
          HN    ILE  103 - QG2   ILE  103   3.51 +/- 0.02  99.817% * 99.2336% (0.69   6.31 138.21) =  99.999%  kept
          HN    GLY  109 - QG2   ILE  103  10.19 +/- 0.32   0.170% *  0.4417% (0.97   0.02   0.02) =   0.001%
          HN    GLN   90 - QG2   ILE  103  16.25 +/- 0.68   0.010% *  0.2228% (0.49   0.02   0.02) =   0.000%
          HE1   HIS   22 - QG2   ILE  103  20.62 +/- 0.63   0.002% *  0.1019% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3132 (4.62, 1.86, 38.31 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.77, residual support = 22.4:
          HA    LYS+ 102 - HB    ILE  103   4.27 +/- 0.06  99.965% * 98.7625% (0.38   4.77  22.42) = 100.000%  kept
          HA    ALA   20 - HB    ILE  103  20.40 +/- 0.40   0.008% *  1.0190% (0.92   0.02   0.02) =   0.000%
          HA    LEU   71 - HB    ILE  103  16.83 +/- 0.25   0.027% *  0.2185% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 1 structures by 0.13 A, kept.
 
    Peak 3133 (2.98, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.821, support = 4.74, residual support = 17.8:
        T HB2   PHE   97 - HB2   LEU  104   3.23 +/- 0.35  97.165% * 98.7691% (0.82   4.74  17.84) =  99.995%  kept
          QE    LYS+  99 - HB2   LEU  104   6.25 +/- 0.56   2.380% *  0.1098% (0.22   0.02  19.31) =   0.003%
          QE    LYS+ 106 - HB2   LEU  104   8.18 +/- 0.48   0.436% *  0.3949% (0.78   0.02   0.02) =   0.002%
          HB3   PHE   60 - HB2   LEU  104  14.29 +/- 0.54   0.015% *  0.3197% (0.63   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   LEU  104  18.06 +/- 0.60   0.004% *  0.4065% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3134 (7.80, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.821, support = 6.35, residual support = 30.8:
          HN    ASP- 105 - HB2   LEU  104   2.91 +/- 0.10 100.000% * 99.8751% (0.82   6.35  30.77) = 100.000%  kept
          HN    ALA   88 - HB2   LEU  104  25.00 +/- 0.45   0.000% *  0.1249% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3135 (9.36, 1.04, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.357, support = 7.38, residual support = 216.1:
      O   HN    LEU  104 - HB2   LEU  104   2.30 +/- 0.04  99.996% * 99.3470% (0.36   7.38 216.13) = 100.000%  kept
          HN    PHE   72 - HB2   LEU  104  12.54 +/- 0.35   0.004% *  0.6530% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3136 (9.38, 0.86, 43.48 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.85, residual support = 216.1:
      O   HN    LEU  104 - HB3   LEU  104   3.53 +/- 0.01  99.971% * 99.8085% (0.71   6.85 216.13) = 100.000%  kept
          HN    PHE   72 - HB3   LEU  104  13.78 +/- 0.41   0.029% *  0.1915% (0.46   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 7.26, residual support = 216.1:
          HN    LEU  104 - HG    LEU  104   2.77 +/- 0.06  99.989% * 99.8192% (0.92   7.26 216.13) = 100.000%  kept
          HN    PHE   72 - HG    LEU  104  12.61 +/- 0.32   0.011% *  0.1808% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3138 (8.33, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 1.5, residual support = 19.3:
          HN    LYS+  99 - HG    LEU  104   2.83 +/- 0.22  98.528% * 96.3289% (0.98   1.50  19.31) =  99.980%  kept
          HE1   HIS  122 - HG    LEU  104   7.75 +/- 3.19   1.469% *  1.3074% (1.00   0.02   0.02) =   0.020%
          HN    GLN   30 - HG    LEU  104  16.93 +/- 0.58   0.002% *  0.5875% (0.45   0.02   0.02) =   0.000%
          HN    GLU-  14 - HG    LEU  104  23.50 +/- 1.30   0.000% *  1.2844% (0.98   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG    LEU  104  24.13 +/- 0.47   0.000% *  0.4918% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3140 (9.36, 0.60, 26.08 ppm):
    6 chemical-shift based assignments, quality = 0.39, support = 6.77, residual support = 210.7:
          HN    LEU  104 - QD1   LEU  104   4.07 +/- 0.03  87.604% * 77.7599% (0.40   6.85 216.13) =  97.033%  kept
          HN    PHE   72 - QD1   LEU   73   5.89 +/- 0.12   9.670% * 21.5040% (0.18   4.24  31.98) =   2.962%  kept
          HN    PHE   72 - QD1   LEU  104  10.57 +/- 0.45   0.296% *  0.5510% (0.96   0.02   0.02) =   0.002%
          HN    PHE   72 - QD1   LEU   63   8.22 +/- 0.39   1.356% *  0.1015% (0.18   0.02  19.08) =   0.002%
          HN    LEU  104 - QD1   LEU   63   8.98 +/- 0.34   0.787% *  0.0418% (0.07   0.02   0.02) =   0.000%
          HN    LEU  104 - QD1   LEU   73  10.62 +/- 0.38   0.287% *  0.0418% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3141 (1.75, 0.60, 26.08 ppm):
    12 chemical-shift based assignments, quality = 0.397, support = 3.45, residual support = 19.3:
        T HB2   LYS+  99 - QD1   LEU  104   2.03 +/- 0.16  99.343% * 97.1273% (0.40   3.45  19.31) =  99.999%  kept
          HB    VAL   43 - QD1   LEU   73   5.14 +/- 0.57   0.608% *  0.1327% (0.09   0.02  10.58) =   0.001%
        T HB    VAL   43 - QD1   LEU  104  10.35 +/- 0.32   0.006% *  0.7203% (0.51   0.02   0.02) =   0.000%
          HB    VAL   43 - QD1   LEU   63   8.21 +/- 0.35   0.028% *  0.1327% (0.09   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   63  10.36 +/- 0.72   0.007% *  0.1037% (0.07   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   73  10.95 +/- 0.78   0.005% *  0.1037% (0.07   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   73  12.38 +/- 0.39   0.002% *  0.1130% (0.08   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   73  13.70 +/- 0.41   0.001% *  0.1130% (0.08   0.02   0.02) =   0.000%
        T HB    ILE   89 - QD1   LEU  104  20.04 +/- 0.33   0.000% *  0.6138% (0.43   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   63  16.24 +/- 0.29   0.000% *  0.1130% (0.08   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU  104  23.07 +/- 0.57   0.000% *  0.6138% (0.43   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   63  19.44 +/- 0.50   0.000% *  0.1130% (0.08   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3142 (1.76, 0.73, 22.45 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 2.0, residual support = 19.3:
          HB2   LYS+  99 - QD2   LEU  104   2.36 +/- 0.41  95.420% * 97.0073% (0.90   2.00  19.31) =  99.997%  kept
          HB3   GLN   17 - QG2   VAL   18   4.83 +/- 0.52   2.208% *  0.0414% (0.04   0.02  51.04) =   0.001%
          HB2   LYS+  99 - QG1   VAL   41   5.54 +/- 0.69   1.749% *  0.0521% (0.05   0.02   0.02) =   0.001%
        T HB    VAL   43 - QG1   VAL   41   6.52 +/- 0.62   0.544% *  0.0561% (0.05   0.02   3.13) =   0.000%
        T HB    VAL   43 - QD2   LEU  104  10.71 +/- 0.27   0.017% *  1.0439% (0.97   0.02   0.02) =   0.000%
        T HB    VAL   43 - QG2   VAL   18   9.01 +/- 0.75   0.052% *  0.1604% (0.15   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG2   VAL   18  14.67 +/- 0.96   0.003% *  0.1491% (0.14   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   VAL   18  15.72 +/- 0.66   0.002% *  0.1534% (0.14   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  18.39 +/- 0.57   0.001% *  0.2697% (0.25   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU  104  23.13 +/- 0.53   0.000% *  0.9985% (0.92   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  13.46 +/- 0.67   0.004% *  0.0145% (0.01   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   41  18.09 +/- 0.55   0.001% *  0.0536% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3144 (1.87, 2.23, 47.73 ppm):
    13 chemical-shift based assignments, quality = 0.723, support = 3.0, residual support = 39.4:
      O T HB3   ASP- 105 - HB2   ASP- 105   1.75 +/- 0.00  99.742% * 93.0868% (0.72   3.00  39.37) =  99.998%  kept
          QB    LYS+ 106 - HB2   ASP- 105   4.77 +/- 0.12   0.247% *  0.7960% (0.93   0.02  21.37) =   0.002%
          HB    ILE  103 - HB2   ASP- 105   8.21 +/- 0.14   0.009% *  0.5578% (0.65   0.02   5.80) =   0.000%
          HB    ILE   56 - HB2   ASP- 105  14.01 +/- 0.37   0.000% *  0.7044% (0.82   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP- 105  16.96 +/- 0.69   0.000% *  0.5897% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   ASP- 105  18.34 +/- 0.54   0.000% *  0.7044% (0.82   0.02   0.02) =   0.000%
        T HB2   MET   92 - HB2   ASP- 105  15.94 +/- 0.32   0.000% *  0.3048% (0.36   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP- 105  18.20 +/- 1.09   0.000% *  0.5253% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ASP- 105  15.99 +/- 0.39   0.000% *  0.1808% (0.21   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP- 105  18.83 +/- 0.56   0.000% *  0.4272% (0.50   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP- 105  21.50 +/- 0.54   0.000% *  0.5897% (0.69   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP- 105  22.86 +/- 0.50   0.000% *  0.7496% (0.87   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP- 105  24.55 +/- 0.36   0.000% *  0.7837% (0.91   0.02   0.02) =   0.000%
    Distance limit 2.55 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 = 1.58, residual support = 5.76:
        T QG2   THR  118 - HB2   ASP- 105   2.92 +/- 0.22 100.000% *100.0000% (0.54   1.58   5.76) = 100.000%  kept
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3146 (0.25, 1.86, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 1.58, residual support = 5.76:
        T QG2   THR  118 - HB3   ASP- 105   3.43 +/- 0.07 100.000% *100.0000% (0.57   1.58   5.76) = 100.000%  kept
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3147 (2.98, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.894, support = 4.66, residual support = 59.5:
          HB2   PHE   97 - HB2   ASP- 105   3.78 +/- 0.11  95.774% * 58.1533% (0.89   4.69  60.61) =  97.133%  kept
          QE    LYS+ 106 - HB2   ASP- 105   6.57 +/- 0.43   3.975% * 41.3492% (0.85   3.52  21.37) =   2.866%  kept
          QE    LYS+  99 - HB2   ASP- 105  10.84 +/- 0.58   0.189% *  0.0653% (0.24   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   ASP- 105  13.20 +/- 0.82   0.058% *  0.1903% (0.69   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   ASP- 105  20.06 +/- 0.55   0.004% *  0.2419% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3148 (3.00, 1.86, 47.73 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.82, residual support = 60.6:
        T HB2   PHE   97 - HB3   ASP- 105   2.66 +/- 0.24  99.543% * 98.2339% (0.87   3.82  60.61) =  99.999%  kept
        T QE    LYS+ 106 - HB3   ASP- 105   7.10 +/- 0.36   0.343% *  0.2436% (0.41   0.02  21.37) =   0.001%
          QE    LYS+  99 - HB3   ASP- 105   9.31 +/- 0.58   0.074% *  0.4302% (0.73   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HB3   ASP- 105  10.76 +/- 0.62   0.028% *  0.1477% (0.25   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   ASP- 105  12.91 +/- 0.82   0.009% *  0.1477% (0.25   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   ASP- 105  16.77 +/- 0.65   0.002% *  0.2656% (0.45   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   ASP- 105  19.34 +/- 0.64   0.001% *  0.5313% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3149 (4.79, 1.86, 47.73 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 39.4:
      O T HA    ASP- 105 - HB3   ASP- 105   3.03 +/- 0.02  99.999% * 99.0793% (0.87   3.00  39.37) = 100.000%  kept
          HA    LEU   80 - HB3   ASP- 105  23.63 +/- 0.68   0.000% *  0.3414% (0.45   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP- 105  25.49 +/- 0.50   0.000% *  0.4619% (0.61   0.02   0.02) =   0.000%
          HA    THR   23 - HB3   ASP- 105  24.21 +/- 0.52   0.000% *  0.1175% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 4.32, residual support = 39.4:
      O   HN    ASP- 105 - HB3   ASP- 105   3.02 +/- 0.08 100.000% * 99.8166% (0.95   4.32  39.37) = 100.000%  kept
          HN    ALA   88 - HB3   ASP- 105  24.46 +/- 0.39   0.000% *  0.1834% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 3.61, residual support = 21.4:
          HN    LYS+ 106 - HB3   ASP- 105   3.62 +/- 0.11  99.594% * 99.5148% (0.18   3.61  21.37) =  99.998%  kept
          HN    VAL   41 - HB3   ASP- 105   9.11 +/- 0.34   0.406% *  0.4852% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3152 (7.13, 2.23, 47.73 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.41, residual support = 60.6:
          QD    PHE   97 - HB2   ASP- 105   3.82 +/- 0.25  99.995% * 99.3119% (0.87   3.41  60.61) = 100.000%  kept
          HZ3   TRP   87 - HB2   ASP- 105  21.37 +/- 0.67   0.004% *  0.5475% (0.82   0.02   0.02) =   0.000%
          HE3   TRP   49 - HB2   ASP- 105  24.95 +/- 0.92   0.001% *  0.1405% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3153 (7.80, 2.23, 47.73 ppm):
    2 chemical-shift based assignments, quality = 0.895, support = 4.44, residual support = 39.4:
      O   HN    ASP- 105 - HB2   ASP- 105   3.90 +/- 0.03  99.998% * 99.8217% (0.89   4.44  39.37) = 100.000%  kept
          HN    ALA   88 - HB2   ASP- 105  24.08 +/- 0.34   0.002% *  0.1783% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 3.62, residual support = 21.4:
          HN    LYS+ 106 - HB2   ASP- 105   2.24 +/- 0.12  99.991% * 99.5162% (0.17   3.62  21.37) = 100.000%  kept
          HN    VAL   41 - HB2   ASP- 105  10.62 +/- 0.33   0.009% *  0.4838% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3155 (5.30, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.15, residual support = 2.3:
        T HA    MET   96 - HA    LYS+ 106   2.88 +/- 0.22  99.975% * 99.2529% (0.87   1.15   2.30) = 100.000%  kept
          HA    PHE   72 - HA    LYS+ 106  11.57 +/- 0.23   0.025% *  0.7471% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3156 (7.15, 5.63, 56.31 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 4.36, residual support = 12.8:
          QD    PHE   97 - HA    LYS+ 106   2.91 +/- 0.42  99.997% * 99.6173% (0.45   4.36  12.79) = 100.000%  kept
          HZ3   TRP   87 - HA    LYS+ 106  17.92 +/- 0.61   0.003% *  0.3827% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3157 (8.40, 5.63, 56.31 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 3.37, residual support = 12.8:
          HN    PHE   97 - HA    LYS+ 106   3.26 +/- 0.12  99.814% * 99.2287% (0.90   3.37  12.79) =  99.999%  kept
          HN    LEU  115 - HA    LYS+ 106   9.63 +/- 0.25   0.159% *  0.5888% (0.90   0.02   0.02) =   0.001%
          HN    ASP- 113 - HA    LYS+ 106  12.96 +/- 0.22   0.026% *  0.1825% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3158 (8.98, 5.63, 56.31 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 5.15, residual support = 131.1:
      O   HN    LYS+ 106 - HA    LYS+ 106   2.87 +/- 0.00 100.000% *100.0000% (0.61   5.15 131.09) = 100.000%  kept
    Distance limit 3.60 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 = 4.24, residual support = 19.9:
      O   HN    VAL  107 - HA    LYS+ 106   2.30 +/- 0.05 100.000% * 99.5262% (0.99   4.24  19.87) = 100.000%  kept
          HN    GLY   51 - HA    LYS+ 106  19.57 +/- 0.59   0.000% *  0.4738% (1.00   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 5.18, residual support = 131.1:
      O   HN    LYS+ 106 - QB    LYS+ 106   2.88 +/- 0.14  99.954% * 99.6610% (0.18   5.18 131.09) = 100.000%  kept
          HN    VAL   41 - QB    LYS+ 106  10.58 +/- 0.38   0.046% *  0.3390% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3161 (9.57, 1.87, 37.27 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.28, residual support = 19.9:
          HN    VAL  107 - QB    LYS+ 106   2.92 +/- 0.18  99.998% * 99.5305% (0.99   4.28  19.87) = 100.000%  kept
          HN    GLY   51 - QB    LYS+ 106  17.82 +/- 0.64   0.002% *  0.4695% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 5.77, residual support = 131.1:
      O T HG3   LYS+ 106 - QB    LYS+ 106   2.41 +/- 0.11  99.739% * 95.6049% (0.61   5.77 131.09) =  99.999%  kept
        T QB    LEU   98 - QB    LYS+ 106   7.56 +/- 0.38   0.111% *  0.3966% (0.73   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+ 106   8.29 +/- 1.15   0.096% *  0.2245% (0.41   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+ 106  10.21 +/- 0.42   0.018% *  0.4898% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QB    LYS+ 106  11.82 +/- 0.65   0.008% *  0.4374% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 106  13.72 +/- 0.59   0.003% *  0.4562% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 106  10.16 +/- 0.24   0.019% *  0.0739% (0.14   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+ 106  13.71 +/- 0.26   0.003% *  0.3966% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 106  15.15 +/- 0.43   0.002% *  0.2449% (0.45   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 106  18.67 +/- 0.66   0.000% *  0.5167% (0.95   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 106  18.58 +/- 0.49   0.000% *  0.4898% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+ 106  15.81 +/- 0.68   0.001% *  0.1519% (0.28   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 106  23.99 +/- 1.37   0.000% *  0.5167% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.972, support = 0.0195, residual support = 0.0195:
          QG2   VAL  108 - QB    LYS+ 106   3.95 +/- 0.48  97.261% * 32.3606% (1.00   0.02   0.02) =  97.416%  kept
          HB2   LEU  104 - QB    LYS+ 106   7.59 +/- 0.12   2.355% * 31.7904% (0.98   0.02   0.02) =   2.317%
          QD1   ILE  119 - QB    LYS+ 106  10.63 +/- 0.33   0.319% * 24.7859% (0.76   0.02   0.02) =   0.245%
          HG3   LYS+ 112 - QB    LYS+ 106  13.91 +/- 0.49   0.066% * 11.0630% (0.34   0.02   0.02) =   0.023%
    Distance limit 3.48 A violated in 11 structures by 0.50 A, eliminated.
    Peak unassigned.
 
    Peak 3164 (1.16, 1.87, 37.27 ppm):
    6 chemical-shift based assignments, quality = 0.543, support = 0.0199, residual support = 2.36:
          QG2   THR   94 - QB    LYS+ 106   3.47 +/- 0.22  82.473% *  9.0486% (0.28   0.02   0.02) =  58.966%  kept
          HG13  ILE  103 - QB    LYS+ 106   5.08 +/- 0.51  11.265% * 32.4723% (1.00   0.02   0.02) =  28.905%  kept
          QG2   VAL  107 - QB    LYS+ 106   5.38 +/- 0.14   6.006% * 24.8714% (0.76   0.02  19.87) =  11.803%  kept
          HG2   LYS+ 121 - QB    LYS+ 106   9.43 +/- 0.47   0.226% * 17.1224% (0.53   0.02   0.02) =   0.306%
          HB3   LYS+ 112 - QB    LYS+ 106  14.03 +/- 0.33   0.019% * 10.0448% (0.31   0.02   0.02) =   0.015%
          QB    ALA   20 - QB    LYS+ 106  15.50 +/- 0.41   0.010% *  6.4405% (0.20   0.02   0.02) =   0.005%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3165 (7.32, 1.55, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.133, support = 5.9, residual support = 109.6:
          HN    LYS+  81 - QG    LYS+  81   1.94 +/- 0.22  99.961% * 84.6004% (0.13   5.90 109.60) = 100.000%  kept
          HE3   TRP   27 - HG2   LYS+  33   9.76 +/- 0.33   0.008% *  2.1101% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - QG    LYS+  81   8.29 +/- 0.52   0.018% *  0.5423% (0.25   0.02   0.02) =   0.000%
          QE    PHE   95 - HG2   LYS+ 106  10.03 +/- 0.77   0.007% *  0.7392% (0.34   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  11.60 +/- 0.40   0.003% *  1.0103% (0.47   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+  33  12.81 +/- 0.55   0.001% *  1.1326% (0.53   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  14.90 +/- 1.15   0.001% *  1.2797% (0.59   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  16.27 +/- 0.78   0.000% *  1.2350% (0.57   0.02   0.02) =   0.000%
          QE    PHE   95 - HG2   LYS+  33  17.23 +/- 1.21   0.000% *  1.2188% (0.57   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+  33  15.69 +/- 1.39   0.001% *  0.4260% (0.20   0.02   0.02) =   0.000%
          QE    PHE   95 - QG    LYS+  81  16.83 +/- 0.41   0.000% *  0.5835% (0.27   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  19.66 +/- 0.68   0.000% *  0.9750% (0.45   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+ 106  16.78 +/- 0.82   0.000% *  0.2584% (0.12   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+ 106  20.27 +/- 1.09   0.000% *  0.6869% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  19.81 +/- 0.63   0.000% *  0.5985% (0.28   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  25.42 +/- 1.03   0.000% *  2.0364% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  21.76 +/- 0.90   0.000% *  0.3630% (0.17   0.02   0.02) =   0.000%
          HN    LEU   67 - QG    LYS+  81  24.85 +/- 0.37   0.000% *  0.2040% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.262, support = 0.0193, residual support = 0.0193:
          HN    GLU-  79 - QG    LYS+  81   5.19 +/- 0.14  96.108% * 10.3925% (0.27   0.02   0.02) =  96.717%  kept
          HN    VAL   70 - HG2   LYS+  33  11.56 +/- 1.40   1.035% * 18.6620% (0.49   0.02   0.02) =   1.870%
          HN    THR   94 - HG2   LYS+ 106  10.01 +/- 1.08   2.483% *  4.6016% (0.12   0.02   0.02) =   1.106%
          HN    VAL   70 - HG2   LYS+ 106  16.72 +/- 0.59   0.089% * 11.3181% (0.30   0.02   0.02) =   0.098%
          HN    GLU-  79 - HG2   LYS+  33  19.64 +/- 0.27   0.033% * 21.7063% (0.57   0.02   0.02) =   0.070%
          HN    THR   94 - QG    LYS+  81  14.86 +/- 0.37   0.176% *  3.6327% (0.09   0.02   0.02) =   0.062%
          HN    GLU-  79 - HG2   LYS+ 106  19.40 +/- 1.05   0.038% * 13.1644% (0.34   0.02   0.02) =   0.048%
          HN    THR   94 - HG2   LYS+  33  20.15 +/- 0.96   0.030% *  7.5874% (0.20   0.02   0.02) =   0.022%
          HN    VAL   70 - QG    LYS+  81  24.55 +/- 0.44   0.009% *  8.9350% (0.23   0.02   0.02) =   0.008%
    Distance limit 4.02 A violated in 20 structures by 1.17 A, eliminated.
    Peak unassigned.
 
    Peak 3167 (5.66, 1.37, 25.37 ppm):
    4 chemical-shift based assignments, quality = 0.175, support = 5.66, residual support = 131.1:
      O   HA    LYS+ 106 - HG3   LYS+ 106   2.67 +/- 0.47  99.988% * 99.5648% (0.18   5.66 131.09) = 100.000%  kept
          HA    LYS+ 106 - HG3   LYS+ 102  13.47 +/- 0.67   0.010% *  0.0641% (0.03   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  33  19.48 +/- 0.77   0.001% *  0.2235% (0.11   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  65  18.33 +/- 0.45   0.001% *  0.1476% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 40.7:
        T HB2   PHE   95 - HB    VAL  107   1.91 +/- 0.65 100.000% *100.0000% (0.69   4.31  40.66) = 100.000%  kept
    Distance limit 3.26 A violated in 2 structures by 0.06 A, kept.
 
    Peak 3169 (1.15, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.72, support = 2.89, residual support = 53.5:
      O T QG2   VAL  107 - HB    VAL  107   2.12 +/- 0.02  99.943% * 98.1982% (0.72   2.89  53.50) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   8.11 +/- 0.87   0.040% *  0.1355% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    VAL  107  10.59 +/- 0.43   0.007% *  0.6607% (0.70   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB    VAL  107  10.09 +/- 0.59   0.009% *  0.4429% (0.47   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL  107  15.26 +/- 0.79   0.001% *  0.4429% (0.47   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.23 +/- 1.02   0.000% *  0.1199% (0.13   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 3.31, residual support = 53.5:
      O T QG1   VAL  107 - HB    VAL  107   2.12 +/- 0.01  99.954% * 98.5399% (0.71   3.31  53.50) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   8.11 +/- 0.87   0.039% *  0.1351% (0.16   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL  107  11.02 +/- 0.84   0.006% *  0.5070% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    VAL  107  17.47 +/- 1.27   0.000% *  0.5603% (0.67   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.23 +/- 1.02   0.000% *  0.1514% (0.18   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    VAL  107  18.74 +/- 1.14   0.000% *  0.1063% (0.13   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 0.668, support = 0.0197, residual support = 0.629:
          QD1   LEU   63 - HB    VAL  107   5.75 +/- 0.46  52.236% * 18.9779% (0.71   0.02   0.02) =  56.651%  kept
          QD2   LEU  115 - HB    VAL  107   6.14 +/- 0.45  36.361% * 17.8728% (0.67   0.02   1.66) =  37.138%  kept
          QD2   LEU   63 - HB    VAL  107   7.60 +/- 0.43   9.652% *  8.6803% (0.33   0.02   0.02) =   4.788%  kept
          QD1   LEU  104 - HB    VAL  107  11.09 +/- 0.33   0.966% * 13.2994% (0.50   0.02   0.02) =   0.734%
          QD1   LEU   73 - HB    VAL  107  12.68 +/- 0.86   0.457% * 18.9779% (0.71   0.02   0.02) =   0.496%
          QD2   LEU   80 - HB    VAL  107  15.36 +/- 0.87   0.143% * 17.3638% (0.65   0.02   0.02) =   0.142%
          QG1   VAL   83 - HB    VAL  107  14.85 +/- 1.09   0.184% *  4.8278% (0.18   0.02   0.02) =   0.051%
    Distance limit 4.02 A violated in 20 structures by 1.10 A, eliminated.
    Peak unassigned.
 
    Peak 3173 (7.03, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.85, residual support = 40.7:
          QD    PHE   95 - HB    VAL  107   2.36 +/- 0.64  99.993% * 99.8337% (0.63   3.85  40.66) = 100.000%  kept
          HN    ALA   47 - HB    VAL  107  12.85 +/- 0.71   0.007% *  0.1663% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3174 (7.15, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.325, support = 0.02, residual support = 2.49:
          QD    PHE   97 - HB    VAL  107   5.23 +/- 0.42  99.963% * 54.4328% (0.33   0.02   2.49) =  99.969%  kept
          HZ3   TRP   87 - HB    VAL  107  19.78 +/- 0.93   0.037% * 45.5672% (0.27   0.02   0.02) =   0.031%
    Distance limit 3.84 A violated in 20 structures by 1.40 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 = 53.5:
      O   HN    VAL  107 - HB    VAL  107   2.58 +/- 0.38  99.998% * 99.3984% (0.72   3.33  53.50) = 100.000%  kept
          HN    GLY   51 - HB    VAL  107  16.00 +/- 0.74   0.002% *  0.6016% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 2 structures by 0.03 A, kept.
 
    Peak 3176 (9.86, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.47, support = 3.24, residual support = 40.7:
          HN    PHE   95 - HB    VAL  107   2.32 +/- 0.80 100.000% *100.0000% (0.47   3.24  40.66) = 100.000%  kept
    Distance limit 4.22 A violated in 1 structures by 0.03 A, kept.
 
    Peak 3177 (1.15, 1.09, 63.87 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.21, residual support = 53.5:
      O   QG2   VAL  107 - QG1   VAL  107   2.04 +/- 0.06  99.550% * 98.3708% (0.99   3.21  53.50) =  99.999%  kept
        T HG13  ILE  119 - QG1   VAL  107   5.43 +/- 0.71   0.366% *  0.1225% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG1   VAL  107   7.06 +/- 0.27   0.060% *  0.5974% (0.97   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG1   VAL  107   8.43 +/- 0.44   0.022% *  0.4004% (0.65   0.02   0.02) =   0.000%
          QB    ALA   20 - QG1   VAL  107  13.42 +/- 0.51   0.001% *  0.4004% (0.65   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG1   VAL  107  15.64 +/- 0.73   0.001% *  0.1084% (0.18   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 = 3.31, residual support = 53.5:
      O T HB    VAL  107 - QG1   VAL  107   2.12 +/- 0.01  99.850% * 97.4920% (0.65   3.31  53.50) = 100.000%  kept
          QE    LYS+ 112 - QG1   VAL  107   7.28 +/- 0.52   0.069% *  0.2269% (0.25   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG1   VAL  107   7.17 +/- 0.32   0.070% *  0.1594% (0.18   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG1   VAL  107  10.01 +/- 0.40   0.009% *  0.2269% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG1   VAL  107  16.50 +/- 0.51   0.000% *  0.7600% (0.84   0.02   0.02) =   0.000%
          QG    GLN   32 - QG1   VAL  107  17.85 +/- 0.61   0.000% *  0.9079% (1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG1   VAL  107  15.06 +/- 0.48   0.001% *  0.2269% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 2.89, residual support = 53.5:
      O T HB    VAL  107 - QG2   VAL  107   2.12 +/- 0.02  99.728% * 97.1402% (0.65   2.89  53.50) =  99.999%  kept
        T QE    LYS+ 112 - QG2   VAL  107   6.30 +/- 0.49   0.164% *  0.2587% (0.25   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG2   VAL  107   6.88 +/- 0.28   0.088% *  0.1817% (0.18   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL  107   8.96 +/- 0.43   0.019% *  0.2587% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG2   VAL  107  15.95 +/- 0.54   0.001% *  0.8667% (0.84   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL  107  19.06 +/- 0.66   0.000% *  1.0353% (1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL  107  17.36 +/- 0.38   0.000% *  0.2587% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 0.799, support = 0.02, residual support = 0.783:
        T QB    GLU- 114 - QG2   VAL  107   3.49 +/- 0.57  65.051% *  8.7164% (0.65   0.02   1.40) =  55.277%  kept
          HB2   LYS+ 111 - QG2   VAL  107   4.04 +/- 0.40  34.198% * 13.3548% (0.99   0.02   0.02) =  44.523%  kept
        T HB    ILE  119 - QG2   VAL  107   7.60 +/- 0.35   0.703% *  2.3597% (0.18   0.02   0.02) =   0.162%
          HB2   GLN   17 - QG2   VAL  107  15.93 +/- 0.62   0.008% * 13.4741% (1.00   0.02   0.02) =   0.011%
          HB    ILE   19 - QG2   VAL  107  15.22 +/- 0.31   0.011% *  7.6284% (0.57   0.02   0.02) =   0.008%
          QB    GLU-  15 - QG2   VAL  107  17.66 +/- 0.52   0.004% * 13.4741% (1.00   0.02   0.02) =   0.006%
          HB3   PRO   68 - QG2   VAL  107  17.24 +/- 0.43   0.005% * 10.7892% (0.80   0.02   0.02) =   0.005%
          HG2   PRO   68 - QG2   VAL  107  16.91 +/- 0.36   0.006% *  6.5585% (0.49   0.02   0.02) =   0.004%
          HG3   GLN   30 - QG2   VAL  107  18.16 +/- 0.58   0.004% *  5.5394% (0.41   0.02   0.02) =   0.002%
          HB2   GLN   30 - QG2   VAL  107  16.86 +/- 0.50   0.006% *  2.3597% (0.18   0.02   0.02) =   0.001%
          HB3   GLU-  25 - QG2   VAL  107  22.78 +/- 0.46   0.001% * 12.7459% (0.95   0.02   0.02) =   0.001%
          HB3   GLU- 100 - QG2   VAL  107  18.55 +/- 0.17   0.003% *  2.9998% (0.22   0.02   0.02) =   0.001%
    Distance limit 2.99 A violated in 14 structures by 0.33 A, eliminated.
    Peak unassigned.
 
    Peak 3181 (0.59, 1.09, 63.87 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 0.0199, residual support = 0.697:
        T QD1   LEU   63 - QG1   VAL  107   4.06 +/- 0.26  48.832% * 18.9779% (0.98   0.02   0.02) =  53.079%  kept
          QD2   LEU  115 - QG1   VAL  107   4.22 +/- 0.37  40.304% * 17.8728% (0.92   0.02   1.66) =  41.258%  kept
        T QD2   LEU   63 - QG1   VAL  107   5.30 +/- 0.29   9.985% *  8.6803% (0.45   0.02   0.02) =   4.964%  kept
        T QD1   LEU  104 - QG1   VAL  107   8.32 +/- 0.22   0.683% * 13.2994% (0.69   0.02   0.02) =   0.520%
        T QD1   LEU   73 - QG1   VAL  107  11.01 +/- 0.40   0.126% * 18.9779% (0.98   0.02   0.02) =   0.136%
          QD2   LEU   80 - QG1   VAL  107  13.84 +/- 0.42   0.032% * 17.3638% (0.90   0.02   0.02) =   0.032%
        T QG1   VAL   83 - QG1   VAL  107  13.50 +/- 0.65   0.039% *  4.8278% (0.25   0.02   0.02) =   0.011%
    Distance limit 2.90 A violated in 20 structures by 0.69 A, eliminated.
    Peak unassigned.
 
    Peak 3182 (0.46, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.372, support = 0.0198, residual support = 1.65:
          QD1   LEU  115 - QG2   VAL  107   3.97 +/- 0.16  99.471% * 39.8646% (0.38   0.02   1.66) =  99.205%  kept
          QG1   VAL   75 - QG2   VAL  107   9.67 +/- 0.63   0.529% * 60.1354% (0.57   0.02   0.02) =   0.795%
    Distance limit 3.68 A violated in 8 structures by 0.29 A, eliminated.
    Peak unassigned.
 
    Peak 3183 (0.70, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.875, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - QG2   VAL  107   9.22 +/- 1.12  88.216% * 58.0948% (0.90   0.02   0.02) =  91.211%  kept
          QG2   ILE   19 - QG2   VAL  107  13.27 +/- 0.49  11.784% * 41.9052% (0.65   0.02   0.02) =   8.789%  kept
    Distance limit 3.35 A violated in 20 structures by 5.65 A, eliminated.
    Peak unassigned.
 
    Peak 3184 (4.50, 1.15, 62.58 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 3.31, residual support = 53.5:
      O T HA    VAL  107 - QG2   VAL  107   2.54 +/- 0.17  97.946% * 96.5537% (0.45   3.31  53.50) =  99.990%  kept
          HA    LYS+ 111 - QG2   VAL  107   4.95 +/- 0.13   2.006% *  0.4435% (0.34   0.02   0.02) =   0.009%
          HA    PRO   52 - QG2   VAL  107  10.04 +/- 0.76   0.032% *  1.1279% (0.87   0.02   0.02) =   0.000%
          HA    ALA   91 - QG2   VAL  107  11.28 +/- 0.29   0.015% *  0.7887% (0.61   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   VAL  107  16.95 +/- 0.33   0.001% *  1.0861% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3185 (2.07, 1.09, 63.87 ppm):
    10 chemical-shift based assignments, quality = 0.459, support = 0.0195, residual support = 5.75:
          HB    VAL  108 - QG1   VAL  107   5.91 +/- 0.30  57.448% *  8.4743% (0.45   0.02   9.35) =  61.389%  kept
        T HB    ILE  119 - QG1   VAL  107   6.57 +/- 0.33  30.758% *  4.7132% (0.25   0.02   0.02) =  18.281%  kept
          HB2   PRO   93 - QG1   VAL  107   8.75 +/- 0.21   5.736% * 15.7881% (0.84   0.02   0.02) =  11.420%  kept
          HG2   PRO   58 - QG1   VAL  107   9.18 +/- 0.50   4.274% * 12.2276% (0.65   0.02   0.02) =   6.590%  kept
          HG3   PRO   52 - QG1   VAL  107  11.76 +/- 0.66   0.994% * 12.2276% (0.65   0.02   0.02) =   1.533%
          HB2   ARG+  54 - QG1   VAL  107  13.35 +/- 0.30   0.440% *  9.9446% (0.53   0.02   0.02) =   0.552%
          HB2   GLN   30 - QG1   VAL  107  15.69 +/- 0.58   0.173% *  4.7132% (0.25   0.02   0.02) =   0.103%
          HB3   GLU- 100 - QG1   VAL  107  16.25 +/- 0.31   0.138% *  3.7406% (0.20   0.02   0.02) =   0.065%
          HB2   GLU-  14 - QG1   VAL  107  21.26 +/- 1.31   0.031% * 13.7255% (0.73   0.02   0.02) =   0.054%
          HG2   MET   11 - QG1   VAL  107  26.87 +/- 2.27   0.008% * 14.4453% (0.76   0.02   0.02) =   0.014%
    Distance limit 3.36 A violated in 20 structures by 2.03 A, eliminated.
    Peak unassigned.
 
    Peak 3186 (4.14, 1.09, 63.87 ppm):
    8 chemical-shift based assignments, quality = 0.898, support = 0.756, residual support = 1.65:
          HA    LEU  115 - QG1   VAL  107   2.48 +/- 0.33  97.931% * 40.5012% (0.90   0.75   1.66) =  97.261%  kept
          HA    GLU- 114 - QG1   VAL  107   5.29 +/- 0.71   2.044% * 54.6386% (0.92   0.98   1.40) =   2.739%  kept
          HA1   GLY  101 - QG1   VAL  107  14.20 +/- 0.48   0.004% *  1.1936% (0.99   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG1   VAL  107  12.08 +/- 0.30   0.009% *  0.4108% (0.34   0.02   0.02) =   0.000%
          HA    ALA  124 - QG1   VAL  107  12.26 +/- 0.50   0.009% *  0.3003% (0.25   0.02   0.02) =   0.000%
          HA    ALA   34 - QG1   VAL  107  15.62 +/- 0.40   0.002% *  1.1804% (0.98   0.02   0.02) =   0.000%
          HA    ASN   28 - QG1   VAL  107  17.47 +/- 0.62   0.001% *  1.0446% (0.87   0.02   0.02) =   0.000%
          HA    THR   26 - QG1   VAL  107  20.23 +/- 0.45   0.000% *  0.7304% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 3.63, residual support = 53.5:
      O T HA    VAL  107 - QG1   VAL  107   2.35 +/- 0.23  99.850% * 96.8477% (0.45   3.63  53.50) =  99.999%  kept
          HA    LYS+ 111 - QG1   VAL  107   7.18 +/- 0.26   0.139% *  0.4057% (0.34   0.02   0.02) =   0.001%
          HA    PRO   52 - QG1   VAL  107  12.19 +/- 0.70   0.006% *  1.0317% (0.87   0.02   0.02) =   0.000%
          HA    ALA   91 - QG1   VAL  107  13.10 +/- 0.28   0.004% *  0.7214% (0.61   0.02   0.02) =   0.000%
          HA    TRP   27 - QG1   VAL  107  16.32 +/- 0.44   0.001% *  0.9935% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3188 (7.17, 1.09, 63.87 ppm):
    4 chemical-shift based assignments, quality = 0.486, support = 0.02, residual support = 1.21:
          QD    PHE   59 - QG1   VAL  107   3.60 +/- 0.20  99.958% * 17.5479% (0.49   0.02   1.21) =  99.933%  kept
          HE21  GLN   30 - QG1   VAL  107  15.18 +/- 0.86   0.019% * 30.1124% (0.84   0.02   0.02) =   0.033%
          HH2   TRP   49 - QG1   VAL  107  16.67 +/- 1.00   0.012% * 34.7918% (0.97   0.02   0.02) =   0.023%
          HD1   TRP   27 - QG1   VAL  107  16.67 +/- 0.43   0.011% * 17.5479% (0.49   0.02   0.02) =   0.011%
    Distance limit 3.20 A violated in 11 structures by 0.39 A, eliminated.
    Peak unassigned.
 
    Peak 3189 (7.02, 1.15, 62.58 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.95, residual support = 40.7:
          QD    PHE   95 - QG2   VAL  107   2.06 +/- 0.26  99.975% * 99.3317% (0.95   2.95  40.66) = 100.000%  kept
          HN    ALA   47 - QG2   VAL  107  10.64 +/- 0.35   0.007% *  0.5437% (0.76   0.02   0.02) =   0.000%
          QE    PHE   72 - QG2   VAL  107   9.01 +/- 0.50   0.018% *  0.1246% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3190 (8.40, 1.15, 62.58 ppm):
    3 chemical-shift based assignments, quality = 0.896, support = 0.476, residual support = 1.66:
          HN    LEU  115 - QG2   VAL  107   3.24 +/- 0.24  96.400% * 94.7867% (0.90   0.48   1.66) =  99.933%  kept
          HN    ASP- 113 - QG2   VAL  107   5.84 +/- 0.12   2.983% *  1.2337% (0.28   0.02   0.02) =   0.040%
          HN    PHE   97 - QG2   VAL  107   7.66 +/- 0.15   0.617% *  3.9795% (0.90   0.02   2.49) =   0.027%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3191 (9.15, 1.15, 62.58 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 2.97, residual support = 9.35:
          HN    VAL  108 - QG2   VAL  107   2.88 +/- 0.40  99.787% * 99.1884% (0.57   2.97   9.35) =  99.998%  kept
          HN    VAL   43 - QG2   VAL  107   8.57 +/- 0.30   0.213% *  0.8116% (0.69   0.02   0.02) =   0.002%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3192 (9.57, 1.09, 63.87 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.52, residual support = 53.5:
          HN    VAL  107 - QG1   VAL  107   2.72 +/- 0.39  99.995% * 99.4307% (0.99   3.52  53.50) = 100.000%  kept
          HN    GLY   51 - QG1   VAL  107  14.75 +/- 0.44   0.005% *  0.5693% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 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   7.25 +/- 0.42 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.52 A violated in 20 structures by 3.73 A, eliminated.
    Peak unassigned.
 
    Peak 3194 (8.75, 3.67, 43.34 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 2.2, residual support = 6.47:
      O   HN    ALA  110 - HA2   GLY  109   2.61 +/- 0.30  99.939% * 99.1246% (0.99   2.20   6.47) =  99.999%  kept
          HN    PHE   45 - HA2   GLY  109   9.28 +/- 0.28   0.061% *  0.8754% (0.97   0.02   0.02) =   0.001%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3195 (8.62, 3.67, 43.34 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 2.2, residual support = 9.35:
      O   HN    GLY  109 - HA2   GLY  109   2.65 +/- 0.13  99.984% * 96.3961% (0.53   2.20   9.35) = 100.000%  kept
          HN    GLN   90 - HA2   GLY  109  11.61 +/- 0.41   0.015% *  1.5721% (0.95   0.02   0.02) =   0.000%
          HN    ILE  103 - HA2   GLY  109  18.38 +/- 0.38   0.001% *  1.6619% (1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY  109  21.18 +/- 0.55   0.000% *  0.3700% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 3.76, residual support = 60.5:
      O   HN    VAL  108 - HB    VAL  108   2.32 +/- 0.07  99.997% * 99.3590% (0.57   3.76  60.50) = 100.000%  kept
          HN    VAL   43 - HB    VAL  108  13.59 +/- 0.38   0.003% *  0.6410% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3197 (8.63, 0.89, 21.81 ppm):
    5 chemical-shift based assignments, quality = 0.135, support = 3.09, residual support = 7.42:
          HN    GLY  109 - QG1   VAL  108   2.57 +/- 0.26  99.978% * 89.7984% (0.14   3.09   7.42) =  99.999%  kept
          HN    GLN   90 - QG1   VAL  108  11.30 +/- 0.93   0.016% *  3.7235% (0.87   0.02   0.02) =   0.001%
          HN    ILE  103 - QG1   VAL  108  13.77 +/- 0.50   0.005% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    SER   82 - QG1   VAL  108  18.93 +/- 0.96   0.001% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    GLY   16 - QG1   VAL  108  22.51 +/- 0.56   0.000% *  0.5809% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 4.2, residual support = 60.5:
          HN    VAL  108 - QG1   VAL  108   3.69 +/- 0.02  99.911% * 99.4251% (0.57   4.20  60.50) =  99.999%  kept
          HN    VAL   43 - QG1   VAL  108  11.94 +/- 0.43   0.089% *  0.5749% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.16 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 = 3.76, residual support = 60.5:
          HN    VAL  108 - QG2   VAL  108   2.31 +/- 0.15  99.988% * 99.3590% (0.57   3.76  60.50) = 100.000%  kept
          HN    VAL   43 - QG2   VAL  108  10.72 +/- 0.64   0.012% *  0.6410% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3200 (8.65, 1.03, 20.80 ppm):
    3 chemical-shift based assignments, quality = 0.783, support = 0.0196, residual support = 0.0196:
          HN    SER  117 - QG2   VAL  108   9.13 +/- 0.97  97.702% * 32.6470% (0.80   0.02   0.02) =  97.790%  kept
          HN    SER   82 - QG2   VAL  108  19.29 +/- 1.24   1.618% * 28.0060% (0.69   0.02   0.02) =   1.389%
          HN    GLY   16 - QG2   VAL  108  21.55 +/- 0.66   0.680% * 39.3470% (0.97   0.02   0.02) =   0.820%
    Distance limit 4.37 A violated in 20 structures by 4.76 A, eliminated.
    Peak unassigned.
 
    Peak 3201 (5.58, 0.89, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.02:
          HA    LEU   73 - QG1   VAL  108  16.81 +/- 0.48 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 3.91 A violated in 20 structures by 12.91 A, eliminated.
    Peak unassigned.
 
    Peak 3202 (5.60, 1.03, 20.80 ppm):
    1 chemical-shift based assignment, quality = 0.278, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   VAL  108   5.79 +/- 0.39 100.000% *100.0000% (0.28   0.02   0.02) = 100.000%  kept
    Distance limit 4.06 A violated in 20 structures by 1.73 A, eliminated.
    Peak unassigned.
 
    Peak 3203 (1.35, 1.53, 33.52 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 6.41, residual support = 313.7:
      O   HG2   LYS+ 111 - HB3   LYS+ 111   2.30 +/- 0.01  99.725% * 96.3077% (0.69   6.41 313.66) =  99.999%  kept
          HB3   PRO   93 - HB3   LYS+ 111   7.69 +/- 0.74   0.083% *  0.3502% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB3   LYS+ 111   6.65 +/- 0.22   0.174% *  0.0766% (0.18   0.02  26.37) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 111  11.60 +/- 0.33   0.006% *  0.4364% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+ 111  13.51 +/- 0.42   0.002% *  0.4221% (0.97   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB3   LYS+ 111  11.43 +/- 0.34   0.007% *  0.1090% (0.25   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 111  15.25 +/- 0.65   0.001% *  0.4287% (0.98   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 111  17.26 +/- 1.21   0.001% *  0.4037% (0.92   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 111  17.32 +/- 0.41   0.001% *  0.3653% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+ 111  21.57 +/- 0.80   0.000% *  0.3922% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LYS+ 111  22.14 +/- 0.29   0.000% *  0.1798% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+ 111  24.87 +/- 0.61   0.000% *  0.3342% (0.76   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB3   LYS+ 111  22.34 +/- 0.81   0.000% *  0.0592% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LYS+ 111  28.08 +/- 0.76   0.000% *  0.1350% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 0.615, support = 1.21, residual support = 8.57:
          QG2   VAL  107 - HB3   LYS+ 111   3.09 +/- 0.19  98.441% *  1.2772% (0.76   0.02   0.02) =  67.327%  kept
          HB3   LYS+ 112 - HB3   LYS+ 111   7.33 +/- 0.26   0.635% * 95.3807% (0.31   3.70  26.37) =  32.433%  kept
          QG2   THR   94 - HB3   LYS+ 111   6.82 +/- 0.37   0.893% *  0.4647% (0.28   0.02   0.02) =   0.222%
        T HG2   LYS+ 121 - HB3   LYS+ 111  13.00 +/- 0.47   0.020% *  0.8793% (0.53   0.02   0.02) =   0.010%
          HG13  ILE  103 - HB3   LYS+ 111  14.83 +/- 0.68   0.008% *  1.6675% (1.00   0.02   0.02) =   0.007%
          QB    ALA   20 - HB3   LYS+ 111  18.64 +/- 0.48   0.002% *  0.3307% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3205 (4.53, 1.53, 33.52 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.82, residual support = 313.7:
      O   HA    LYS+ 111 - HB3   LYS+ 111   2.97 +/- 0.06  96.825% * 99.8056% (0.97   6.82 313.66) =  99.998%  kept
          HA    VAL  108 - HB3   LYS+ 111   5.42 +/- 0.45   3.144% *  0.0468% (0.15   0.02   0.02) =   0.002%
          HA    PRO   52 - HB3   LYS+ 111  11.53 +/- 0.90   0.032% *  0.1476% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 5.36, residual support = 313.7:
      O   HN    LYS+ 111 - HB3   LYS+ 111   2.29 +/- 0.31  99.974% * 98.8258% (0.73   5.36 313.66) = 100.000%  kept
          HN    ILE   56 - HB3   LYS+ 111   9.77 +/- 0.43   0.023% *  0.1731% (0.34   0.02   2.29) =   0.000%
          HN    LEU   63 - HB3   LYS+ 111  14.11 +/- 0.31   0.003% *  0.1265% (0.25   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LYS+ 111  21.53 +/- 0.61   0.000% *  0.3684% (0.73   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LYS+ 111  30.39 +/- 1.36   0.000% *  0.5062% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3207 (7.58, 2.02, 33.52 ppm):
    12 chemical-shift based assignments, quality = 0.998, support = 7.06, residual support = 313.7:
      O   HN    LYS+ 111 - HB2   LYS+ 111   3.40 +/- 0.33  99.116% * 98.7843% (1.00   7.06 313.66) =  99.999%  kept
          HN    ILE   56 - HB2   LYS+ 111  10.31 +/- 0.42   0.142% *  0.2344% (0.84   0.02   2.29) =   0.000%
          HE21  GLN   32 - HG3   GLN   30  10.32 +/- 0.92   0.176% *  0.0410% (0.15   0.02   1.51) =   0.000%
          HD21  ASN   28 - HG3   GLN   30   8.70 +/- 0.85   0.529% *  0.0087% (0.03   0.02   6.56) =   0.000%
          HN    LEU   63 - HB2   LYS+ 111  14.52 +/- 0.49   0.018% *  0.2038% (0.73   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   GLN   30  16.34 +/- 0.80   0.009% *  0.0563% (0.20   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LYS+ 111  23.03 +/- 0.59   0.001% *  0.2800% (1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HG3   GLN   30  17.58 +/- 0.91   0.006% *  0.0410% (0.15   0.02   0.02) =   0.000%
          HN    ILE   56 - HG3   GLN   30  21.87 +/- 0.87   0.002% *  0.0471% (0.17   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG3   GLN   30  24.06 +/- 0.72   0.001% *  0.0563% (0.20   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LYS+ 111  31.73 +/- 1.47   0.000% *  0.2038% (0.73   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LYS+ 111  27.07 +/- 0.71   0.000% *  0.0433% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 313.7:
          HN    LYS+ 111 - HG2   LYS+ 111   3.80 +/- 0.17  99.767% * 94.2696% (0.18   6.51 313.66) =  99.998%  kept
          HN    ILE   56 - HG2   LYS+ 111  11.21 +/- 0.57   0.168% *  0.8050% (0.49   0.02   2.29) =   0.001%
          QE    PHE   60 - HG2   LYS+ 111  14.18 +/- 0.77   0.041% *  0.5104% (0.31   0.02   0.02) =   0.000%
          HN    LEU   63 - HG2   LYS+ 111  16.33 +/- 0.34   0.017% *  1.0031% (0.61   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+ 111  21.62 +/- 1.37   0.003% *  1.4832% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+ 111  26.55 +/- 0.52   0.001% *  1.6391% (0.99   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+ 111  21.83 +/- 0.67   0.003% *  0.2896% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3209 (7.59, 1.22, 24.92 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 6.54, residual support = 313.7:
          HN    LYS+ 111 - HG3   LYS+ 111   3.29 +/- 0.22  99.610% * 98.0193% (0.65   6.54 313.66) =  99.999%  kept
          HN    ILE   56 - HG3   LYS+ 111  10.00 +/- 0.60   0.149% *  0.4470% (0.97   0.02   2.29) =   0.001%
          HN    ILE   56 - HG2   LYS+  74  10.77 +/- 0.52   0.091% *  0.0478% (0.10   0.02   0.02) =   0.000%
          HN    LEU   63 - HG3   LYS+ 111  16.12 +/- 0.28   0.008% *  0.4622% (1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HG2   LYS+  74  11.87 +/- 1.06   0.061% *  0.0494% (0.11   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+  74  12.59 +/- 0.74   0.037% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+  74  14.14 +/- 0.36   0.017% *  0.0280% (0.06   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG2   LYS+  74  14.64 +/- 0.60   0.015% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   LYS+ 111  21.74 +/- 0.69   0.001% *  0.2997% (0.65   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG3   LYS+ 111  22.16 +/- 1.32   0.001% *  0.1739% (0.38   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+  74  16.77 +/- 0.45   0.006% *  0.0186% (0.04   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   LYS+ 111  26.83 +/- 0.52   0.000% *  0.2623% (0.57   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG2   LYS+  74  20.25 +/- 1.09   0.002% *  0.0123% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG3   LYS+ 111  32.15 +/- 1.53   0.000% *  0.1155% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3210 (8.52, 1.22, 24.92 ppm):
    4 chemical-shift based assignments, quality = 0.0856, support = 5.66, residual support = 27.1:
          HN    VAL   75 - HG2   LYS+  74   3.36 +/- 0.27  99.399% * 92.7343% (0.09   5.66  27.08) =  99.997%  kept
          HN    ASP-  78 - HG2   LYS+  74   8.10 +/- 0.93   0.590% *  0.4055% (0.11   0.02   0.02) =   0.003%
          HN    VAL   75 - HG3   LYS+ 111  16.92 +/- 0.46   0.007% *  3.0656% (0.80   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  18.59 +/- 0.52   0.004% *  3.7946% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3211 (1.99, 3.46, 61.33 ppm):
    11 chemical-shift based assignments, quality = 0.721, support = 1.06, residual support = 3.33:
        T HB2   LEU  115 - HA    LYS+ 112   2.63 +/- 0.40  96.481% * 18.3589% (0.76   0.75   2.19) =  93.172%  kept
          HB2   LYS+ 111 - HA    LYS+ 112   5.19 +/- 0.13   2.222% * 41.5731% (0.18   7.41  26.37) =   4.859%  kept
          QB    GLU- 114 - HA    LYS+ 112   5.93 +/- 0.25   0.991% * 37.6081% (0.73   1.62   0.02) =   1.961%
          HG3   PRO   58 - HA    LYS+ 112   7.38 +/- 0.53   0.300% *  0.5130% (0.80   0.02   0.02) =   0.008%
          HB2   LEU   67 - HA    LYS+ 112  16.73 +/- 0.65   0.002% *  0.2404% (0.38   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LYS+ 112  16.02 +/- 0.67   0.002% *  0.1122% (0.18   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 112  21.12 +/- 0.52   0.000% *  0.5557% (0.87   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 112  21.18 +/- 0.49   0.000% *  0.5130% (0.80   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 112  19.92 +/- 0.97   0.001% *  0.1426% (0.22   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 112  22.60 +/- 0.71   0.000% *  0.1426% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 112  31.27 +/- 0.52   0.000% *  0.2404% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3212 (0.80, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 1.22, residual support = 7.38:
        T QD1   ILE   56 - HA    LYS+ 112   2.57 +/- 0.33  99.983% * 95.9137% (0.84   1.22   7.38) = 100.000%  kept
          HG3   LYS+ 121 - HA    LYS+ 112  13.49 +/- 0.54   0.006% *  1.7316% (0.92   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+ 112  12.77 +/- 0.35   0.009% *  0.5215% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   73 - HA    LYS+ 112  16.44 +/- 1.23   0.002% *  1.0620% (0.57   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 112  24.87 +/- 0.81   0.000% *  0.7712% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3213 (7.32, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.907, support = 0.02, residual support = 0.609:
          QD    PHE   55 - HA    LYS+ 112   4.08 +/- 0.20  84.040% * 27.0710% (0.95   0.02   0.68) =  89.800%  kept
          QE    PHE   95 - HA    LYS+ 112   5.51 +/- 0.44  15.934% * 16.2019% (0.57   0.02   0.02) =  10.190%  kept
          HE3   TRP   27 - HA    LYS+ 112  21.54 +/- 0.51   0.004% * 28.0508% (0.98   0.02   0.02) =   0.004%
          HN    LEU   67 - HA    LYS+ 112  16.57 +/- 0.70   0.019% *  5.6634% (0.20   0.02   0.02) =   0.004%
          HN    THR   23 - HA    LYS+ 112  25.14 +/- 0.48   0.002% * 15.0563% (0.53   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    LYS+ 112  26.09 +/- 0.40   0.001% *  7.9567% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 4 structures by 0.24 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3214 (8.48, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.72, residual support = 236.3:
      O   HN    LYS+ 112 - HA    LYS+ 112   2.76 +/- 0.02  99.989% * 99.0284% (0.92   5.72 236.33) = 100.000%  kept
          HN    THR   46 - HA    LYS+ 112  14.78 +/- 0.36   0.004% *  0.1681% (0.45   0.02   0.02) =   0.000%
          HN    MET   92 - HA    LYS+ 112  14.15 +/- 0.53   0.006% *  0.1042% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  74 - HA    LYS+ 112  18.52 +/- 0.44   0.001% *  0.3252% (0.87   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LYS+ 112  35.53 +/- 2.68   0.000% *  0.3741% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 6.24, residual support = 236.3:
          HN    LYS+ 112 - HG2   LYS+ 112   3.58 +/- 0.34  99.983% * 98.9798% (0.41   6.24 236.33) = 100.000%  kept
          HN    ASP-  78 - HG2   LYS+ 112  18.98 +/- 0.84   0.005% *  0.5897% (0.76   0.02   0.02) =   0.000%
          HN    VAL   75 - HG2   LYS+ 112  16.49 +/- 1.12   0.012% *  0.2381% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HG2   LYS+ 112  35.51 +/- 3.06   0.000% *  0.1924% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3216 (7.27, 0.36, 25.56 ppm):
    5 chemical-shift based assignments, quality = 0.613, support = 0.0194, residual support = 0.0194:
          HN    PHE   59 - HG2   LYS+ 112   6.31 +/- 1.14  78.051% * 17.7173% (0.53   0.02   0.02) =  69.255%  kept
          QE    PHE   59 - HG2   LYS+ 112   8.09 +/- 1.14  18.322% * 30.2011% (0.90   0.02   0.02) =  27.712%  kept
          QD    PHE   60 - HG2   LYS+ 112  10.82 +/- 1.01   3.230% * 15.0977% (0.45   0.02   0.02) =   2.442%
          HN    LYS+  66 - HG2   LYS+ 112  15.58 +/- 1.13   0.376% * 31.0863% (0.92   0.02   0.02) =   0.585%
          HN    LYS+  81 - HG2   LYS+ 112  26.07 +/- 0.93   0.020% *  5.8976% (0.18   0.02   0.02) =   0.006%
    Distance limit 4.15 A violated in 20 structures by 1.93 A, eliminated.
    Peak unassigned.
 
    Peak 3217 (2.45, 0.36, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.6, residual support = 236.3:
      O T QE    LYS+ 112 - HG2   LYS+ 112   2.54 +/- 0.50  99.967% * 92.2007% (0.20   4.60 236.33) =  99.999%  kept
        T HB3   ASP-  62 - HG2   LYS+ 112  10.19 +/- 1.03   0.028% *  2.0097% (0.99   0.02   0.02) =   0.001%
          HG3   MET   96 - HG2   LYS+ 112  18.08 +/- 0.98   0.001% *  1.3928% (0.69   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG2   LYS+ 112  15.10 +/- 0.97   0.003% *  0.4013% (0.20   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG2   LYS+ 112  27.11 +/- 1.36   0.000% *  1.6936% (0.84   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG2   LYS+ 112  32.08 +/- 1.50   0.000% *  1.3928% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   LYS+ 112  32.43 +/- 2.14   0.000% *  0.9091% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 236.3:
      O T QE    LYS+ 112 - HG3   LYS+ 112   2.60 +/- 0.31  99.969% * 92.2793% (0.20   4.65 236.33) =  99.999%  kept
        T HB3   ASP-  62 - HG3   LYS+ 112  10.55 +/- 0.53   0.027% *  1.9895% (0.99   0.02   0.02) =   0.001%
          HG3   MET   96 - HG3   LYS+ 112  18.46 +/- 0.70   0.001% *  1.3788% (0.69   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   LYS+ 112  15.24 +/- 0.97   0.003% *  0.3972% (0.20   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   LYS+ 112  27.25 +/- 1.04   0.000% *  1.6766% (0.84   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG3   LYS+ 112  32.38 +/- 1.05   0.000% *  1.3788% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG3   LYS+ 112  32.84 +/- 1.91   0.000% *  0.8999% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.271, support = 0.0195, residual support = 0.0195:
          QE    PHE   95 - HG3   LYS+ 112   6.86 +/- 0.90  99.071% *  6.9459% (0.28   0.02   0.02) =  97.330%  kept
          HD1   TRP   49 - HG3   LYS+ 112  18.25 +/- 2.46   0.355% * 24.1093% (0.97   0.02   0.02) =   1.211%
          HN    LEU   67 - HG3   LYS+ 112  17.68 +/- 0.84   0.405% * 17.1603% (0.69   0.02   0.02) =   0.983%
          HD2   HIS   22 - HG3   LYS+ 112  21.88 +/- 1.12   0.110% * 24.9820% (1.00   0.02   0.02) =   0.390%
          HN    THR   23 - HG3   LYS+ 112  25.43 +/- 0.98   0.044% *  7.7106% (0.31   0.02   0.02) =   0.048%
          HD21  ASN   35 - HG3   LYS+ 112  31.15 +/- 1.29   0.014% * 19.0919% (0.76   0.02   0.02) =   0.038%
    Distance limit 4.29 A violated in 20 structures by 2.58 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 = 236.3:
          HN    LYS+ 112 - HG3   LYS+ 112   3.55 +/- 0.17  99.985% * 98.9283% (0.41   5.94 236.33) = 100.000%  kept
          HN    ASP-  78 - HG3   LYS+ 112  18.98 +/- 0.95   0.005% *  0.6194% (0.76   0.02   0.02) =   0.000%
          HN    VAL   75 - HG3   LYS+ 112  16.70 +/- 0.97   0.010% *  0.2502% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 112  35.86 +/- 3.15   0.000% *  0.2021% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3221 (2.45, 1.20, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.63, residual support = 236.3:
      O   QE    LYS+ 112 - HD2   LYS+ 112   2.36 +/- 0.08  99.977% * 90.3357% (0.20   3.63 236.33) =  99.999%  kept
          HB3   ASP-  62 - HD2   LYS+ 112   9.74 +/- 0.53   0.022% *  2.4903% (0.99   0.02   0.02) =   0.001%
        T HG3   MET   96 - HD2   LYS+ 112  19.83 +/- 0.54   0.000% *  1.7259% (0.69   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD2   LYS+ 112  17.08 +/- 0.63   0.001% *  0.4972% (0.20   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD2   LYS+ 112  29.19 +/- 0.79   0.000% *  2.0986% (0.84   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD2   LYS+ 112  33.38 +/- 0.83   0.000% *  1.7259% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD2   LYS+ 112  33.55 +/- 1.82   0.000% *  1.1264% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3222 (0.36, 1.11, 29.98 ppm):
    3 chemical-shift based assignments, quality = 0.848, support = 5.7, residual support = 236.3:
      O   HG2   LYS+ 112 - HD3   LYS+ 112   2.66 +/- 0.13  99.986% * 99.2484% (0.85   5.70 236.33) = 100.000%  kept
          QG1   VAL   42 - HD3   LYS+ 112  12.68 +/- 0.87   0.010% *  0.3846% (0.94   0.02   0.02) =   0.000%
          QB    ALA   47 - HD3   LYS+ 112  14.83 +/- 0.80   0.004% *  0.3670% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3223 (2.45, 1.11, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.187, support = 3.3, residual support = 236.3:
      O   QE    LYS+ 112 - HD3   LYS+ 112   2.43 +/- 0.08  99.968% * 89.4571% (0.19   3.30 236.33) =  99.999%  kept
          HB3   ASP-  62 - HD3   LYS+ 112   9.68 +/- 0.91   0.031% *  2.7167% (0.94   0.02   0.02) =   0.001%
          HG3   MET   96 - HD3   LYS+ 112  19.34 +/- 0.78   0.000% *  1.8828% (0.65   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD3   LYS+ 112  17.22 +/- 0.72   0.001% *  0.5424% (0.19   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD3   LYS+ 112  29.26 +/- 1.18   0.000% *  2.2894% (0.79   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD3   LYS+ 112  33.44 +/- 1.17   0.000% *  1.8828% (0.65   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD3   LYS+ 112  33.25 +/- 1.89   0.000% *  1.2288% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 4.6, residual support = 236.3:
      O T HG2   LYS+ 112 - QE    LYS+ 112   2.54 +/- 0.50  99.800% * 98.7933% (0.75   4.60 236.33) = 100.000%  kept
          QG1   VAL   42 - QE    LYS+ 112  10.08 +/- 0.32   0.043% *  0.4752% (0.83   0.02   0.02) =   0.000%
          QG1   VAL   42 - HB3   ASP-  62   8.53 +/- 0.39   0.113% *  0.0972% (0.17   0.02   0.02) =   0.000%
          QB    ALA   47 - QE    LYS+ 112  12.15 +/- 0.53   0.014% *  0.4535% (0.79   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB3   ASP-  62  10.19 +/- 1.03   0.028% *  0.0880% (0.15   0.02   0.02) =   0.000%
          QB    ALA   47 - HB3   ASP-  62  16.02 +/- 0.49   0.003% *  0.0928% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3225 (0.77, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.439, support = 1.45, residual support = 7.38:
          QD1   ILE   56 - QE    LYS+ 112   2.97 +/- 0.40  99.088% * 88.7665% (0.44   1.45   7.38) =  99.996%  kept
          QD1   ILE   56 - HB3   ASP-  62   7.92 +/- 0.23   0.360% *  0.2500% (0.09   0.02   0.02) =   0.001%
          QG2   VAL   18 - HB3   ASP-  62   8.15 +/- 0.50   0.323% *  0.1954% (0.07   0.02   0.02) =   0.001%
          QG2   THR   46 - QE    LYS+ 112  10.20 +/- 0.91   0.072% *  0.7169% (0.26   0.02   0.02) =   0.001%
          QG2   VAL   18 - QE    LYS+ 112  10.83 +/- 0.67   0.052% *  0.9548% (0.34   0.02   0.02) =   0.001%
          QD2   LEU   73 - QE    LYS+ 112  14.63 +/- 0.92   0.010% *  1.8598% (0.67   0.02   0.02) =   0.000%
          QG1   VAL   43 - QE    LYS+ 112  13.82 +/- 0.44   0.012% *  1.5025% (0.54   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB3   ASP-  62  12.89 +/- 0.66   0.022% *  0.3805% (0.14   0.02   0.02) =   0.000%
          QG1   VAL   41 - QE    LYS+ 112  16.60 +/- 0.48   0.004% *  1.9400% (0.70   0.02   0.02) =   0.000%
          QG2   THR   46 - HB3   ASP-  62  11.58 +/- 0.55   0.034% *  0.1467% (0.05   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB3   ASP-  62  13.44 +/- 0.28   0.015% *  0.3074% (0.11   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB3   ASP-  62  15.45 +/- 0.53   0.007% *  0.3969% (0.14   0.02   0.02) =   0.000%
          HG    LEU   31 - QE    LYS+ 112  22.69 +/- 0.89   0.001% *  2.1440% (0.77   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   ASP-  62  22.46 +/- 0.85   0.001% *  0.4387% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3226 (1.06, 2.43, 41.54 ppm):
    10 chemical-shift based assignments, quality = 0.806, support = 4.65, residual support = 236.3:
      O T HG3   LYS+ 112 - QE    LYS+ 112   2.60 +/- 0.31  96.316% * 98.8167% (0.81   4.65 236.33) =  99.997%  kept
          HG    LEU   63 - HB3   ASP-  62   5.02 +/- 0.94   3.526% *  0.0809% (0.15   0.02  42.53) =   0.003%
          HG    LEU   63 - QE    LYS+ 112   8.65 +/- 0.85   0.099% *  0.3953% (0.75   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    LYS+ 112  10.78 +/- 0.76   0.026% *  0.1099% (0.21   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB3   ASP-  62  10.55 +/- 0.53   0.026% *  0.0870% (0.16   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    LYS+ 112  16.51 +/- 0.59   0.002% *  0.0680% (0.13   0.02   0.02) =   0.000%
          QG2   VAL   24 - QE    LYS+ 112  21.84 +/- 0.90   0.000% *  0.3368% (0.64   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   ASP-  62  15.26 +/- 0.55   0.003% *  0.0225% (0.04   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB3   ASP-  62  16.00 +/- 0.48   0.002% *  0.0139% (0.03   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   ASP-  62  23.04 +/- 0.67   0.000% *  0.0689% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3227 (1.14, 2.43, 41.54 ppm):
    12 chemical-shift based assignments, quality = 0.441, support = 0.0196, residual support = 0.0196:
        T QG2   VAL  107 - QE    LYS+ 112   6.30 +/- 0.49  31.801% * 12.9407% (0.51   0.02   0.02) =  50.876%  kept
          HG13  ILE  119 - QE    LYS+ 112   6.97 +/- 0.49  17.923% * 13.8021% (0.54   0.02   0.02) =  30.583%  kept
          HG13  ILE  119 - HB3   ASP-  62   5.93 +/- 0.63  47.014% *  2.8239% (0.11   0.02   0.02) =  16.413%  kept
          QG2   VAL  107 - HB3   ASP-  62   9.80 +/- 0.30   2.201% *  2.6477% (0.10   0.02   0.02) =   0.721%
          HG2   LYS+ 121 - QE    LYS+ 112  13.84 +/- 0.83   0.276% * 17.8210% (0.70   0.02   0.02) =   0.608%
          QB    ALA   20 - QE    LYS+ 112  14.91 +/- 0.73   0.191% * 21.2883% (0.83   0.02   0.02) =   0.504%
          QB    ALA   20 - HB3   ASP-  62  13.95 +/- 0.59   0.278% *  4.3556% (0.17   0.02   0.02) =   0.149%
          HG2   LYS+ 121 - HB3   ASP-  62  14.72 +/- 0.58   0.190% *  3.6462% (0.14   0.02   0.02) =   0.086%
          HG13  ILE  103 - QE    LYS+ 112  17.70 +/- 0.72   0.062% *  4.2223% (0.17   0.02   0.02) =   0.032%
          HB3   LEU   31 - QE    LYS+ 112  23.25 +/- 0.72   0.012% * 12.9407% (0.51   0.02   0.02) =   0.020%
          HB3   LEU   31 - HB3   ASP-  62  22.94 +/- 0.71   0.013% *  2.6477% (0.10   0.02   0.02) =   0.004%
          HG13  ILE  103 - HB3   ASP-  62  19.12 +/- 0.52   0.039% *  0.8639% (0.03   0.02   0.02) =   0.004%
    Distance limit 3.18 A violated in 20 structures by 1.98 A, eliminated.
    Peak unassigned.
 
    Peak 3228 (7.33, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.722, support = 0.548, residual support = 0.673:
          QD    PHE   55 - QE    LYS+ 112   3.46 +/- 0.43  90.572% * 83.0274% (0.72   0.55   0.68) =  99.656%  kept
          QE    PHE   95 - QE    LYS+ 112   5.55 +/- 0.56   7.193% *  3.4128% (0.82   0.02   0.02) =   0.325%
          QE    PHE   95 - HB3   ASP-  62   7.27 +/- 0.43   1.335% *  0.6983% (0.17   0.02   0.02) =   0.012%
          HN    LEU   67 - HB3   ASP-  62   8.09 +/- 0.43   0.707% *  0.4608% (0.11   0.02   0.02) =   0.004%
          QD    PHE   55 - HB3   ASP-  62  10.47 +/- 0.46   0.136% *  0.6179% (0.15   0.02   0.02) =   0.001%
          HN    LEU   67 - QE    LYS+ 112  13.79 +/- 0.55   0.029% *  2.2524% (0.54   0.02   0.02) =   0.001%
          HD1   TRP   49 - QE    LYS+ 112  17.12 +/- 1.43   0.010% *  1.0746% (0.26   0.02   0.02) =   0.000%
          HE3   TRP   27 - QE    LYS+ 112  19.41 +/- 0.59   0.003% *  2.7880% (0.67   0.02   0.02) =   0.000%
          HN    THR   23 - QE    LYS+ 112  22.29 +/- 0.69   0.002% *  3.3601% (0.81   0.02   0.02) =   0.000%
          HD2   HIS   22 - QE    LYS+ 112  19.05 +/- 0.85   0.004% *  0.6890% (0.17   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   ASP-  62  19.15 +/- 0.40   0.004% *  0.5704% (0.14   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   ASP-  62  22.70 +/- 0.42   0.001% *  0.6875% (0.16   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   ASP-  62  19.19 +/- 0.62   0.004% *  0.1410% (0.03   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASP-  62  22.08 +/- 1.20   0.002% *  0.2199% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 3230 (8.17, 2.68, 39.79 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 3.2, residual support = 20.3:
          HN    GLU- 114 - QB    ASP- 113   2.45 +/- 0.16  98.502% * 97.9544% (0.84   3.21  20.30) =  99.989%  kept
          HN    GLN  116 - QB    ASP- 113   5.11 +/- 0.14   1.318% *  0.7173% (0.98   0.02   1.50) =   0.010%
          HN    THR  118 - QB    ASP- 113   7.17 +/- 0.39   0.174% *  0.5859% (0.80   0.02   0.02) =   0.001%
          HN    PHE   60 - QB    ASP- 113  12.47 +/- 0.24   0.006% *  0.4143% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    ASP- 113  22.10 +/- 0.43   0.000% *  0.3281% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 3.3, residual support = 13.9:
      O   HN    ASP- 113 - QB    ASP- 113   2.14 +/- 0.16  99.999% * 99.8918% (0.98   3.30  13.90) = 100.000%  kept
          HN    MET   92 - QB    ASP- 113  15.10 +/- 1.05   0.001% *  0.1082% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 0.407, support = 0.0198, residual support = 0.0198:
        T QG1   ILE   56 - HA    ASP- 113   8.39 +/- 0.34  98.909% * 20.6001% (0.41   0.02   0.02) =  99.033%  kept
          HB    ILE   89 - HA    ASP- 113  24.20 +/- 0.31   0.175% * 46.2556% (0.92   0.02   0.02) =   0.394%
        T HB3   LYS+  99 - HA    ASP- 113  22.39 +/- 0.54   0.285% * 26.3630% (0.53   0.02   0.02) =   0.365%
          HB    VAL   43 - HA    ASP- 113  19.55 +/- 0.29   0.631% *  6.7814% (0.14   0.02   0.02) =   0.208%
    Distance limit 3.72 A violated in 20 structures by 4.67 A, eliminated.
    Peak unassigned.
 
    Peak 3233 (8.17, 4.14, 59.59 ppm):
    10 chemical-shift based assignments, quality = 0.753, support = 4.29, residual support = 45.4:
      O   HN    GLU- 114 - HA    GLU- 114   2.80 +/- 0.03  49.131% * 27.1345% (0.84   3.81  38.94) =  74.139%  kept
      O   HN    GLN  116 - HA    LEU  115   3.62 +/- 0.02  10.666% * 29.1432% (0.45   7.58  95.33) =  17.286%  kept
          HN    GLN  116 - HA    GLU- 114   4.45 +/- 0.20   3.267% * 25.7116% (0.98   3.08   0.50) =   4.672%  kept
          HN    THR  118 - HA    LEU  115   3.13 +/- 0.32  29.049% *  1.6235% (0.37   0.52   0.14) =   2.623%  kept
          HN    GLU- 114 - HA    LEU  115   5.10 +/- 0.11   1.385% * 15.9980% (0.38   4.88  19.72) =   1.232%
          HN    THR  118 - HA    GLU- 114   4.27 +/- 0.51   6.393% *  0.1366% (0.80   0.02   0.39) =   0.049%
          HN    PHE   60 - HA    LEU  115   7.97 +/- 0.42   0.102% *  0.0444% (0.26   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.60 +/- 0.35   0.006% *  0.0966% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  17.19 +/- 0.43   0.001% *  0.0352% (0.21   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  21.30 +/- 0.61   0.000% *  0.0765% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.527, support = 7.19, residual support = 180.6:
      O   HN    LEU  115 - HA    LEU  115   2.77 +/- 0.02  80.033% * 41.0617% (0.41   7.83 230.30) =  76.408%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.58 +/- 0.03  17.341% * 58.5021% (0.90   5.13  19.72) =  23.588%  kept
          HN    ASP- 113 - HA    GLU- 114   5.10 +/- 0.09   2.092% *  0.0707% (0.28   0.02  20.30) =   0.003%
          HN    ASP- 113 - HA    LEU  115   6.48 +/- 0.12   0.493% *  0.0325% (0.13   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  10.25 +/- 0.28   0.032% *  0.1049% (0.41   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  13.00 +/- 0.47   0.008% *  0.2280% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 3.9, residual support = 38.9:
      O   HN    GLU- 114 - QB    GLU- 114   2.17 +/- 0.15  98.109% * 98.3123% (0.81   3.90  38.94) =  99.990%  kept
          HN    THR  118 - QB    GLU- 114   4.95 +/- 0.47   1.325% *  0.4834% (0.77   0.02   0.39) =   0.007%
          HN    GLN  116 - QB    GLU- 114   5.22 +/- 0.14   0.558% *  0.5918% (0.95   0.02   0.50) =   0.003%
          HN    PHE   60 - QB    GLU- 114  11.19 +/- 0.60   0.007% *  0.3418% (0.55   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    GLU- 114  18.91 +/- 0.74   0.000% *  0.2707% (0.43   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 0.843, support = 4.95, residual support = 19.7:
          HN    LEU  115 - QB    GLU- 114   3.33 +/- 0.21  83.422% * 83.1530% (0.87   5.01  19.72) =  96.219%  kept
          HN    ASP- 113 - QB    GLU- 114   4.43 +/- 0.24  16.504% * 16.5153% (0.27   3.21  20.30) =   3.781%  kept
          HN    PHE   97 - QB    GLU- 114  10.79 +/- 0.64   0.074% *  0.3316% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3237 (8.17, 2.31, 37.32 ppm):
    5 chemical-shift based assignments, quality = 0.827, support = 4.6, residual support = 36.0:
          HN    GLU- 114 - QG    GLU- 114   2.80 +/- 0.31  86.218% * 46.0770% (0.83   4.73  38.94) =  92.369%  kept
          HN    GLN  116 - QG    GLU- 114   4.66 +/- 0.48   5.704% * 44.1366% (0.98   3.86   0.50) =   5.853%  kept
          HN    THR  118 - QG    GLU- 114   4.43 +/- 0.55   8.006% *  9.5498% (0.80   1.02   0.39) =   1.778%
          HN    PHE   60 - QG    GLU- 114   9.51 +/- 0.57   0.071% *  0.1320% (0.56   0.02   0.02) =   0.000%
          HN    LEU   71 - QG    GLU- 114  17.49 +/- 0.54   0.002% *  0.1046% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 5.67, residual support = 19.7:
          HN    LEU  115 - QG    GLU- 114   2.33 +/- 0.56  99.955% * 98.5116% (0.45   5.67  19.72) = 100.000%  kept
          HN    PHE   97 - QG    GLU- 114   9.66 +/- 0.28   0.044% *  0.3475% (0.45   0.02   0.02) =   0.000%
          HN    ASN   35 - QG    GLU- 114  21.75 +/- 0.47   0.000% *  0.4078% (0.52   0.02   0.02) =   0.000%
          HN    ALA   12 - QG    GLU- 114  30.64 +/- 1.50   0.000% *  0.7332% (0.94   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3239 (1.10, 2.31, 37.32 ppm):
    6 chemical-shift based assignments, quality = 0.978, support = 0.75, residual support = 1.4:
          QG1   VAL  107 - QG    GLU- 114   3.06 +/- 0.41  98.988% * 93.8577% (0.98   0.75   1.40) =  99.987%  kept
          HD3   LYS+ 112 - QG    GLU- 114   7.85 +/- 0.52   0.430% *  2.1328% (0.83   0.02   0.02) =   0.010%
          HG13  ILE  119 - QG    GLU- 114   7.62 +/- 1.04   0.576% *  0.5685% (0.22   0.02   0.02) =   0.004%
          QG1   VAL   24 - QG    GLU- 114  18.69 +/- 1.05   0.003% *  2.3571% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG    GLU- 114  20.21 +/- 0.75   0.002% *  0.6367% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   24 - QG    GLU- 114  19.90 +/- 0.84   0.002% *  0.4472% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 1 structures by 0.06 A, kept.
 
    Peak 3240 (1.14, 2.00, 29.90 ppm):
    6 chemical-shift based assignments, quality = 0.578, support = 0.0198, residual support = 1.38:
        T QG2   VAL  107 - QB    GLU- 114   3.49 +/- 0.57  98.973% * 15.5884% (0.59   0.02   1.40) =  98.819%  kept
          HG13  ILE  119 - QB    GLU- 114   8.78 +/- 0.88   0.585% * 16.6260% (0.62   0.02   0.02) =   0.623%
          HG2   LYS+ 121 - QB    GLU- 114   9.19 +/- 0.59   0.385% * 21.4672% (0.81   0.02   0.02) =   0.529%
          HG13  ILE  103 - QB    GLU- 114  12.86 +/- 0.76   0.049% *  5.0862% (0.19   0.02   0.02) =   0.016%
          QB    ALA   20 - QB    GLU- 114  18.00 +/- 0.50   0.007% * 25.6438% (0.96   0.02   0.02) =   0.011%
          HB3   LEU   31 - QB    GLU- 114  21.59 +/- 1.01   0.002% * 15.5884% (0.59   0.02   0.02) =   0.002%
    Distance limit 3.09 A violated in 18 structures by 0.52 A, eliminated.
    Peak unassigned.
 
    Peak 3243 (4.12, 1.46, 42.01 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 6.45, residual support = 230.3:
      O T HA    LEU  115 - HB3   LEU  115   2.27 +/- 0.18  99.620% * 98.0992% (0.92   6.45 230.30) = 100.000%  kept
        T HA    GLU- 114 - HB3   LEU  115   6.38 +/- 0.22   0.275% *  0.1476% (0.45   0.02  19.72) =   0.000%
        T HA    ARG+  54 - HB3   LEU  115  11.33 +/- 0.47   0.007% *  0.2750% (0.84   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU   40   8.01 +/- 0.32   0.060% *  0.0309% (0.09   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU   40   9.63 +/- 1.08   0.028% *  0.0234% (0.07   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU  115  15.91 +/- 0.68   0.001% *  0.2391% (0.73   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU   40  14.66 +/- 0.80   0.002% *  0.0281% (0.09   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   LEU   40  15.41 +/- 0.50   0.001% *  0.0357% (0.11   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU  115  21.53 +/- 0.98   0.000% *  0.2637% (0.80   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU   40  15.93 +/- 0.52   0.001% *  0.0365% (0.11   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU  115  21.11 +/- 0.88   0.000% *  0.1997% (0.61   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU   40  13.05 +/- 0.47   0.003% *  0.0086% (0.03   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU  115  23.53 +/- 1.04   0.000% *  0.3115% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU  115  23.87 +/- 0.64   0.000% *  0.1016% (0.31   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HB3   LEU   40  18.69 +/- 0.62   0.000% *  0.0173% (0.05   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB3   LEU   40  22.53 +/- 0.71   0.000% *  0.0323% (0.10   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   LEU  115  25.90 +/- 0.87   0.000% *  0.0577% (0.18   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU  115  27.54 +/- 1.06   0.000% *  0.0733% (0.22   0.02   0.02) =   0.000%
        T HA    THR   26 - HB3   LEU   40  19.29 +/- 0.58   0.000% *  0.0068% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU   40  26.07 +/- 0.38   0.000% *  0.0119% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 230.3:
      O T QD1   LEU  115 - HB3   LEU  115   2.40 +/- 0.27  99.990% * 99.5527% (0.87   6.14 230.30) = 100.000%  kept
          QG1   VAL   75 - HB3   LEU  115  13.05 +/- 0.89   0.006% *  0.3663% (0.98   0.02   0.02) =   0.000%
          QG1   VAL   75 - HB3   LEU   40  14.76 +/- 0.58   0.002% *  0.0430% (0.12   0.02   0.02) =   0.000%
        T QD1   LEU  115 - HB3   LEU   40  15.03 +/- 0.40   0.002% *  0.0380% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3245 (0.57, 1.46, 42.01 ppm):
    18 chemical-shift based assignments, quality = 0.448, support = 7.34, residual support = 230.3:
      O T QD2   LEU  115 - HB3   LEU  115   2.50 +/- 0.30  74.334% * 97.3407% (0.45   7.35 230.30) =  99.987%  kept
          QD1   LEU   63 - HB3   LEU  115   5.31 +/- 0.73   0.906% *  0.4734% (0.80   0.02   0.02) =   0.006%
          QD1   LEU  104 - HB3   LEU   40   3.39 +/- 0.81  23.933% *  0.0154% (0.03   0.02   0.02) =   0.005%
          QD2   LEU   63 - HB3   LEU  115   6.81 +/- 0.60   0.211% *  0.5457% (0.92   0.02   0.02) =   0.002%
          QG2   VAL   41 - HB3   LEU   40   6.59 +/- 0.24   0.259% *  0.0260% (0.04   0.02  21.09) =   0.000%
          QD2   LEU   63 - HB3   LEU   40   8.06 +/- 0.95   0.101% *  0.0640% (0.11   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB3   LEU   40   8.58 +/- 0.62   0.066% *  0.0555% (0.09   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   40   7.31 +/- 0.63   0.143% *  0.0154% (0.03   0.02  10.70) =   0.000%
          QD1   LEU   73 - HB3   LEU   40   9.55 +/- 0.41   0.029% *  0.0555% (0.09   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB3   LEU  115  14.99 +/- 0.89   0.002% *  0.4734% (0.80   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU  115  13.93 +/- 0.76   0.003% *  0.2219% (0.38   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   LEU  115  13.00 +/- 0.76   0.004% *  0.1316% (0.22   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU  115  14.10 +/- 0.96   0.003% *  0.1316% (0.22   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  115  17.93 +/- 0.67   0.001% *  0.2430% (0.41   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HB3   LEU   40  13.53 +/- 0.77   0.003% *  0.0311% (0.05   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU  115  19.41 +/- 0.96   0.000% *  0.1316% (0.22   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   40  16.30 +/- 0.37   0.001% *  0.0285% (0.05   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   40  18.43 +/- 0.83   0.001% *  0.0154% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.965, support = 7.87, residual support = 87.3:
          HN    GLN  116 - HB3   LEU  115   4.00 +/- 0.38  57.679% * 63.7316% (0.98   8.39  95.33) =  90.656%  kept
          HN    THR  118 - HB3   LEU  115   5.12 +/- 0.34  15.615% * 12.6749% (0.80   2.04   0.14) =   4.881%  kept
          HN    GLU- 114 - HB3   LEU  115   5.69 +/- 0.40   7.724% * 23.3703% (0.84   3.61  19.72) =   4.452%  kept
          HN    PHE   60 - HB3   LEU  115   6.47 +/- 0.55   3.918% *  0.0877% (0.57   0.02   0.02) =   0.008%
          HN    LEU   71 - HB3   LEU   40   5.48 +/- 0.89  14.997% *  0.0081% (0.05   0.02   0.02) =   0.003%
          HN    LEU   71 - HB3   LEU  115  17.30 +/- 0.92   0.010% *  0.0694% (0.45   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   40  15.00 +/- 0.52   0.023% *  0.0146% (0.09   0.02   0.02) =   0.000%
          HN    PHE   60 - HB3   LEU   40  14.86 +/- 0.68   0.023% *  0.0103% (0.07   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   40  18.18 +/- 0.60   0.007% *  0.0178% (0.12   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   40  20.11 +/- 0.50   0.004% *  0.0152% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 7.24, residual support = 230.3:
      O   HN    LEU  115 - HB3   LEU  115   3.20 +/- 0.27  97.944% * 99.5651% (0.90   7.24 230.30) =  99.998%  kept
          HN    ASP- 113 - HB3   LEU  115   6.27 +/- 0.53   1.748% *  0.0853% (0.28   0.02   0.02) =   0.002%
          HN    PHE   97 - HB3   LEU  115  11.09 +/- 0.81   0.072% *  0.2751% (0.90   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   LEU   40   8.96 +/- 0.51   0.232% *  0.0323% (0.11   0.02   1.53) =   0.000%
          HN    LEU  115 - HB3   LEU   40  18.11 +/- 0.46   0.003% *  0.0323% (0.11   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   LEU   40  21.81 +/- 0.46   0.001% *  0.0100% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3248 (3.47, 1.98, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 0.75, residual support = 2.19:
        T HA    LYS+ 112 - HB2   LEU  115   2.63 +/- 0.40  99.968% * 96.1906% (0.69   0.75   2.19) = 100.000%  kept
          HB    THR   46 - HB2   LEU  115  11.68 +/- 1.05   0.023% *  0.7390% (0.20   0.02   0.02) =   0.000%
          HB2   HIS  122 - HB2   LEU  115  13.45 +/- 0.38   0.009% *  1.5352% (0.41   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB2   LEU  115  23.85 +/- 0.53   0.000% *  1.5352% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3249 (7.33, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.979, support = 1.5, residual support = 5.24:
          QE    PHE   95 - HB2   LEU  115   3.91 +/- 0.45  89.262% * 95.1014% (0.98   1.50   5.25) =  99.858%  kept
          QD    PHE   55 - HB2   LEU  115   5.99 +/- 0.48  10.687% *  1.1221% (0.87   0.02   0.02) =   0.141%
          HN    LEU   67 - HB2   LEU  115  15.14 +/- 0.68   0.031% *  0.8369% (0.65   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU  115  19.77 +/- 0.64   0.006% *  1.0359% (0.80   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   LEU  115  19.45 +/- 2.03   0.007% *  0.3993% (0.31   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU  115  23.77 +/- 0.51   0.002% *  1.2484% (0.97   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU  115  20.83 +/- 0.92   0.004% *  0.2560% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 9 structures by 0.31 A, eliminated.
    Peak unassigned.
 
    Peak 3250 (8.18, 1.98, 42.01 ppm):
    5 chemical-shift based assignments, quality = 0.779, support = 7.42, residual support = 91.7:
          HN    GLN  116 - HB2   LEU  115   3.33 +/- 0.28  78.406% * 80.2151% (0.80   7.58  95.33) =  95.245%  kept
          HN    GLU- 114 - HB2   LEU  115   4.39 +/- 0.15  16.311% * 19.1675% (0.34   4.25  19.72) =   4.735%  kept
          HN    THR  118 - HB2   LEU  115   5.41 +/- 0.18   4.652% *  0.2591% (0.98   0.02   0.14) =   0.018%
          HN    PHE   60 - HB2   LEU  115   7.59 +/- 0.26   0.631% *  0.2591% (0.98   0.02   0.02) =   0.002%
          HN    GLU-  15 - HB2   LEU  115  24.30 +/- 0.68   0.001% *  0.0992% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3251 (8.40, 1.98, 42.01 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 7.12, residual support = 230.3:
      O   HN    LEU  115 - HB2   LEU  115   2.06 +/- 0.11  99.262% * 99.6336% (0.90   7.12 230.30) =  99.999%  kept
          HN    ASP- 113 - HB2   LEU  115   4.76 +/- 0.20   0.735% *  0.0867% (0.28   0.02   0.02) =   0.001%
          HN    PHE   97 - HB2   LEU  115  12.19 +/- 0.52   0.002% *  0.2797% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 0.597, support = 5.6, residual support = 65.5:
      O   HN    GLN  116 - HA    LEU  115   3.62 +/- 0.02  10.655% * 54.2732% (0.82   7.58  95.33) =  55.634%  kept
      O   HN    GLU- 114 - HA    GLU- 114   2.80 +/- 0.03  49.084% *  6.3629% (0.19   3.81  38.94) =  30.045%  kept
          HN    THR  118 - HA    LEU  115   3.13 +/- 0.32  29.022% *  3.0235% (0.67   0.52   0.14) =   8.442%  kept
          HN    GLU- 114 - HA    LEU  115   5.10 +/- 0.11   1.383% * 29.7929% (0.70   4.88  19.72) =   3.965%  kept
          HN    GLN  116 - HA    GLU- 114   4.45 +/- 0.20   3.264% *  6.0292% (0.22   3.08   0.50) =   1.893%
          HN    THR  118 - HA    GLU- 114   4.27 +/- 0.51   6.386% *  0.0320% (0.18   0.02   0.39) =   0.020%
          HN    PHE   60 - HA    LEU  115   7.97 +/- 0.42   0.102% *  0.0827% (0.47   0.02   0.02) =   0.001%
          HN    PHE   60 - HA    ARG+  54   8.09 +/- 0.26   0.087% *  0.0464% (0.27   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    ARG+  54  13.70 +/- 0.45   0.004% *  0.0803% (0.46   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    ARG+  54  14.89 +/- 0.43   0.002% *  0.0684% (0.39   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.60 +/- 0.35   0.006% *  0.0226% (0.13   0.02   0.02) =   0.000%
          HN    THR  118 - HA    ARG+  54  16.17 +/- 0.33   0.001% *  0.0656% (0.37   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  17.19 +/- 0.43   0.001% *  0.0655% (0.37   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    ARG+  54  20.82 +/- 0.44   0.000% *  0.0367% (0.21   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  21.30 +/- 0.61   0.000% *  0.0179% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 0.729, support = 7.73, residual support = 222.4:
      O   HN    LEU  115 - HA    LEU  115   2.77 +/- 0.02  80.023% * 84.2480% (0.75   7.83 230.30) =  96.257%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.58 +/- 0.03  17.339% * 15.1139% (0.20   5.13  19.72) =   3.742%  kept
          HN    ASP- 113 - HA    GLU- 114   5.10 +/- 0.09   2.092% *  0.0183% (0.06   0.02  20.30) =   0.001%
          HN    ASP- 113 - HA    LEU  115   6.48 +/- 0.12   0.493% *  0.0667% (0.23   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115  10.25 +/- 0.28   0.032% *  0.2153% (0.75   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ARG+  54  13.30 +/- 0.38   0.007% *  0.1207% (0.42   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  13.00 +/- 0.47   0.008% *  0.0589% (0.20   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    ARG+  54  13.67 +/- 0.44   0.006% *  0.0374% (0.13   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ARG+  54  18.59 +/- 0.49   0.001% *  0.1207% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 7.36, residual support = 230.3:
          HN    LEU  115 - HG    LEU  115   3.56 +/- 0.53  91.653% * 99.4337% (0.78   7.36 230.30) =  99.992%  kept
          HN    ASP- 113 - HG    LEU  115   5.57 +/- 1.01   6.533% *  0.0838% (0.24   0.02   0.02) =   0.006%
          HN    PHE   97 - HG    LEU   40   7.44 +/- 0.42   1.719% *  0.0918% (0.26   0.02   1.53) =   0.002%
          HN    PHE   97 - HG    LEU  115  13.16 +/- 0.85   0.078% *  0.2703% (0.78   0.02   0.02) =   0.000%
          HN    LEU  115 - HG    LEU   40  16.40 +/- 0.57   0.013% *  0.0918% (0.26   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG    LEU   40  20.10 +/- 0.55   0.004% *  0.0285% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 6 structures by 0.15 A, kept.
 
    Peak 3255 (6.91, 0.43, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   LEU  115  10.09 +/- 0.44 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.88 A violated in 20 structures by 6.21 A, eliminated.
    Peak unassigned.
 
    Peak 3256 (7.32, 0.43, 25.13 ppm):
    6 chemical-shift based assignments, quality = 0.563, support = 1.49, residual support = 5.22:
          QE    PHE   95 - QD1   LEU  115   2.90 +/- 0.59  81.611% * 93.5487% (0.57   1.50   5.25) =  99.501%  kept
          QD    PHE   55 - QD1   LEU  115   3.91 +/- 0.38  18.362% *  2.0841% (0.95   0.02   0.02) =   0.499%
          HN    LEU   67 - QD1   LEU  115  11.68 +/- 0.74   0.022% *  0.4360% (0.20   0.02   0.02) =   0.000%
          HE3   TRP   27 - QD1   LEU  115  16.30 +/- 0.53   0.003% *  2.1595% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - QD1   LEU  115  19.34 +/- 0.66   0.001% *  1.1591% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  115  20.69 +/- 0.66   0.001% *  0.6126% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 3 structures by 0.15 A, kept.
 
    Peak 3257 (7.19, 0.43, 25.13 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.86, residual support = 25.4:
          QD    PHE   59 - QD1   LEU  115   2.59 +/- 0.61  99.993% * 98.5172% (0.95   3.86  25.43) = 100.000%  kept
          HH2   TRP   49 - QD1   LEU  115  15.87 +/- 1.01   0.004% *  0.4510% (0.84   0.02   0.02) =   0.000%
          HE21  GLN   30 - QD1   LEU  115  17.31 +/- 0.91   0.002% *  0.5211% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   27 - QD1   LEU  115  19.68 +/- 0.42   0.001% *  0.5107% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3258 (7.03, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.836, support = 0.02, residual support = 5.24:
          QD    PHE   95 - QD2   LEU  115   4.84 +/- 0.39  99.694% * 75.7271% (0.84   0.02   5.25) =  99.902%  kept
          HN    ALA   47 - QD2   LEU  115  12.90 +/- 0.50   0.306% * 24.2729% (0.27   0.02   0.02) =   0.098%
    Distance limit 3.48 A violated in 20 structures by 1.36 A, eliminated.
    Peak unassigned.
 
    Peak 3259 (7.25, 0.59, 23.43 ppm):
    5 chemical-shift based assignments, quality = 0.893, support = 2.72, residual support = 25.4:
          QE    PHE   59 - QD2   LEU  115   3.07 +/- 0.44  74.240% * 83.8294% (0.89   2.86  25.43) =  94.119%  kept
          HN    PHE   59 - QD2   LEU  115   3.91 +/- 0.55  25.304% * 15.3625% (0.93   0.50  25.43) =   5.879%  kept
          HN    HIS  122 - QD2   LEU  115   7.51 +/- 0.34   0.341% *  0.2848% (0.43   0.02   0.02) =   0.001%
          HN    LYS+  66 - QD2   LEU  115   9.07 +/- 0.51   0.115% *  0.2848% (0.43   0.02   0.02) =   0.000%
          HH2   TRP   87 - QD2   LEU  115  22.17 +/- 0.62   0.001% *  0.2384% (0.36   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 2 structures by 0.09 A, kept.
 
    Peak 3260 (1.01, 4.01, 60.31 ppm):
    8 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 14.6:
        T QD1   ILE  119 - HA    GLN  116   2.86 +/- 0.49  99.832% * 97.9067% (0.61   4.00  14.59) = 100.000%  kept
          QD1   LEU   67 - HA    GLN  116  10.40 +/- 1.36   0.082% *  0.2753% (0.34   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    GLN  116  11.21 +/- 0.73   0.046% *  0.1597% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    GLN  116  12.93 +/- 0.38   0.017% *  0.3029% (0.38   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    GLN  116  13.67 +/- 0.26   0.011% *  0.2013% (0.25   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    GLN  116  14.78 +/- 0.30   0.007% *  0.2491% (0.31   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    GLN  116  19.23 +/- 0.86   0.002% *  0.7635% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    GLN  116  17.99 +/- 0.82   0.002% *  0.1414% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3261 (0.59, 4.01, 60.31 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 6.31, residual support = 95.3:
          QD2   LEU  115 - HA    GLN  116   2.01 +/- 0.27  99.729% * 98.5635% (0.92   6.31  95.33) =  99.999%  kept
          QD1   LEU   63 - HA    GLN  116   6.73 +/- 0.48   0.113% *  0.3319% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLN  116   6.64 +/- 0.74   0.155% *  0.1518% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLN  116  13.50 +/- 0.37   0.001% *  0.2326% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLN  116  17.84 +/- 0.52   0.000% *  0.3319% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLN  116  21.67 +/- 0.46   0.000% *  0.3037% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLN  116  21.83 +/- 0.73   0.000% *  0.0844% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 2.72, residual support = 14.6:
          HN    ILE  119 - HA    GLN  116   3.44 +/- 0.10  99.997% * 97.3777% (0.57   2.72  14.59) = 100.000%  kept
          HN    CYS   21 - HA    GLN  116  21.67 +/- 0.57   0.002% *  1.2224% (0.97   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    GLN  116  26.89 +/- 0.61   0.000% *  0.7171% (0.57   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN  116  26.18 +/- 0.30   0.001% *  0.4321% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLN  116  26.59 +/- 0.60   0.000% *  0.2507% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3263 (8.17, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 7.0, residual support = 115.5:
      O   HN    GLN  116 - HA    GLN  116   2.72 +/- 0.03  93.932% * 99.2329% (0.98   7.00 115.52) =  99.985%  kept
          HN    THR  118 - HA    GLN  116   4.37 +/- 0.19   5.651% *  0.2317% (0.80   0.02   0.02) =   0.014%
          HN    GLU- 114 - HA    GLN  116   6.94 +/- 0.13   0.344% *  0.2417% (0.84   0.02   0.50) =   0.001%
          HN    PHE   60 - HA    GLN  116   9.05 +/- 0.40   0.072% *  0.1638% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLN  116  18.83 +/- 0.59   0.001% *  0.1297% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.47 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   3.14 +/- 0.40  99.759% * 76.9360% (0.49   0.75   1.50) =  99.988%  kept
          HA    ILE   56 - HB2   GLN  116   9.33 +/- 0.42   0.178% *  4.0677% (0.97   0.02   0.02) =   0.009%
          HA    LEU  123 - HB2   GLN  116  13.58 +/- 0.30   0.020% *  4.2056% (1.00   0.02   0.02) =   0.001%
        T HA    PRO   58 - HB2   GLN  116  12.15 +/- 0.64   0.039% *  1.7328% (0.41   0.02   0.02) =   0.001%
          HA    LYS+  99 - HB2   GLN  116  22.05 +/- 0.30   0.001% *  3.5206% (0.84   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   GLN  116  20.86 +/- 0.61   0.001% *  2.3863% (0.57   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   GLN  116  27.77 +/- 0.65   0.000% *  3.9872% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   GLN  116  25.44 +/- 0.68   0.000% *  1.5819% (0.38   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN  116  31.72 +/- 1.24   0.000% *  1.5819% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3265 (0.57, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 0.448, support = 6.31, residual support = 95.3:
          QD2   LEU  115 - HB2   GLN  116   3.83 +/- 0.16  98.586% * 97.2623% (0.45   6.31  95.33) =  99.991%  kept
          QD2   LEU   63 - HB2   GLN  116   9.01 +/- 0.69   0.656% *  0.6352% (0.92   0.02   0.02) =   0.004%
          QD1   LEU   63 - HB2   GLN  116   8.85 +/- 0.45   0.704% *  0.5510% (0.80   0.02   0.02) =   0.004%
          QD1   LEU  104 - HB2   GLN  116  15.18 +/- 0.38   0.026% *  0.1532% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   GLN  116  19.64 +/- 0.51   0.006% *  0.5510% (0.80   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   GLN  116  18.22 +/- 0.39   0.009% *  0.2582% (0.38   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   GLN  116  18.19 +/- 0.67   0.009% *  0.1532% (0.22   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   GLN  116  22.96 +/- 0.43   0.002% *  0.2829% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   GLN  116  24.44 +/- 0.98   0.002% *  0.1532% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3266 (0.59, 2.54, 34.75 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 7.0, residual support = 95.3:
          QD2   LEU  115 - HG2   GLN  116   2.52 +/- 0.22  99.750% * 98.7966% (1.00   7.00  95.33) = 100.000%  kept
          QD1   LEU   63 - HG2   GLN  116   7.91 +/- 0.54   0.124% *  0.2358% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG2   GLN  116   8.04 +/- 0.81   0.123% *  0.0704% (0.25   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG2   GLN  116  15.25 +/- 0.35   0.002% *  0.2532% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG2   GLN  116  18.81 +/- 0.57   0.001% *  0.2358% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG2   GLN  116  22.25 +/- 0.56   0.000% *  0.2817% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG2   GLN  116  22.46 +/- 0.79   0.000% *  0.1266% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3267 (7.40, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 4.18, residual support = 115.5:
      O   HE21  GLN  116 - HG2   GLN  116   2.27 +/- 0.22  99.785% * 98.4285% (0.65   4.18 115.52) = 100.000%  kept
          HN    ALA  120 - HG2   GLN  116   6.79 +/- 0.40   0.201% *  0.2023% (0.28   0.02   0.02) =   0.000%
          HN    ALA   57 - HG2   GLN  116  10.26 +/- 0.60   0.014% *  0.5284% (0.73   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG2   GLN  116  26.89 +/- 1.56   0.000% *  0.7133% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG2   GLN  116  30.16 +/- 1.34   0.000% *  0.1274% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 7.03, residual support = 115.5:
          HN    GLN  116 - HG2   GLN  116   2.97 +/- 0.21  98.025% * 99.0577% (0.80   7.03 115.52) =  99.994%  kept
          HN    THR  118 - HG2   GLN  116   6.21 +/- 0.20   1.236% *  0.3451% (0.98   0.02   0.02) =   0.004%
          HN    GLU- 114 - HG2   GLN  116   6.92 +/- 0.44   0.627% *  0.1201% (0.34   0.02   0.50) =   0.001%
          HN    PHE   60 - HG2   GLN  116   9.31 +/- 0.55   0.112% *  0.3451% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  15 - HG2   GLN  116  24.65 +/- 0.96   0.000% *  0.1321% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3269 (7.34, 2.37, 29.51 ppm):
    8 chemical-shift based assignments, quality = 0.616, support = 0.0195, residual support = 0.0195:
          QE    PHE   95 - HB2   GLN  116   8.63 +/- 0.37  48.609% * 15.3326% (0.76   0.02   0.02) =  66.955%  kept
          QD    PHE   55 - HB2   GLN  116   8.59 +/- 0.42  49.967% *  6.8436% (0.34   0.02   0.02) =  30.720%  kept
          HN    LEU   67 - HB2   GLN  116  16.38 +/- 0.82   1.085% * 20.0629% (1.00   0.02   0.02) =   1.955%
          HD1   TRP   49 - HB2   GLN  116  24.36 +/- 2.06   0.114% * 16.7579% (0.84   0.02   0.02) =   0.171%
          HD2   HIS   22 - HB2   GLN  116  25.67 +/- 0.86   0.071% * 13.7814% (0.69   0.02   0.02) =   0.087%
          HN    THR   23 - HB2   GLN  116  28.70 +/- 0.45   0.036% * 16.0651% (0.80   0.02   0.02) =   0.052%
          HE3   TRP   27 - HB2   GLN  116  24.46 +/- 0.55   0.094% *  5.5782% (0.28   0.02   0.02) =   0.047%
          HD21  ASN   35 - HB2   GLN  116  30.50 +/- 1.30   0.026% *  5.5782% (0.28   0.02   0.02) =   0.013%
    Distance limit 3.83 A violated in 20 structures by 3.81 A, eliminated.
    Peak unassigned.
 
    Peak 3270 (8.17, 2.37, 29.51 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 7.0, residual support = 115.5:
      O   HN    GLN  116 - HB2   GLN  116   2.17 +/- 0.05  98.875% * 99.2329% (0.98   7.00 115.52) =  99.997%  kept
          HN    GLU- 114 - HB2   GLN  116   5.19 +/- 0.26   0.565% *  0.2417% (0.84   0.02   0.50) =   0.001%
          HN    THR  118 - HB2   GLN  116   5.17 +/- 0.14   0.555% *  0.2317% (0.80   0.02   0.02) =   0.001%
          HN    PHE   60 - HB2   GLN  116  11.18 +/- 0.40   0.005% *  0.1638% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   GLN  116  21.49 +/- 0.52   0.000% *  0.1297% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 4.06, residual support = 19.6:
          HN    SER  117 - HB2   GLN  116   3.00 +/- 0.12  99.999% * 99.4705% (0.98   4.06  19.62) = 100.000%  kept
          HN    GLY   16 - HB2   GLN  116  23.27 +/- 0.67   0.000% *  0.4181% (0.84   0.02   0.02) =   0.000%
          HN    SER   82 - HB2   GLN  116  30.94 +/- 0.42   0.000% *  0.1114% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3272 (8.67, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.06, residual support = 19.6:
      O   HN    SER  117 - HA    GLN  116   3.58 +/- 0.03  99.997% * 99.4705% (0.98   4.06  19.62) = 100.000%  kept
          HN    GLY   16 - HA    GLN  116  20.39 +/- 0.68   0.003% *  0.4181% (0.84   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLN  116  29.78 +/- 0.46   0.000% *  0.1114% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3273 (1.48, 4.24, 61.69 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 1.58, residual support = 5.15:
        T QB    ALA  120 - HA    SER  117   3.15 +/- 0.11  95.511% * 94.3443% (0.92   1.58   5.15) =  99.981%  kept
          HD2   LYS+ 121 - HA    SER  117   6.52 +/- 1.64   3.493% *  0.2271% (0.18   0.02   0.02) =   0.009%
          HG    LEU  115 - HA    SER  117   7.52 +/- 0.56   0.596% *  1.1968% (0.92   0.02   2.05) =   0.008%
          HB3   LEU  115 - HA    SER  117   8.02 +/- 0.23   0.373% *  0.4866% (0.38   0.02   2.05) =   0.002%
          HG    LEU   67 - HA    SER  117  14.61 +/- 1.81   0.012% *  0.6311% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    SER  117  16.89 +/- 0.57   0.004% *  1.2965% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    SER  117  15.82 +/- 0.91   0.007% *  0.4866% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    SER  117  17.91 +/- 0.62   0.003% *  0.2886% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    SER  117  20.78 +/- 0.41   0.001% *  0.6821% (0.53   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    SER  117  24.53 +/- 0.29   0.000% *  0.3605% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3274 (7.40, 4.24, 61.69 ppm):
    5 chemical-shift based assignments, quality = 0.352, support = 1.23, residual support = 8.04:
          HN    ALA  120 - HA    SER  117   3.56 +/- 0.05  95.062% * 16.7888% (0.28   1.01   5.15) =  80.019%  kept
          HE21  GLN  116 - HA    SER  117   6.29 +/- 0.85   4.922% * 80.9671% (0.65   2.10  19.62) =  19.980%  kept
          HN    ALA   57 - HA    SER  117  15.30 +/- 0.31   0.015% *  0.8661% (0.73   0.02   0.02) =   0.001%
          HE21  GLN   90 - HA    SER  117  29.25 +/- 1.46   0.000% *  1.1691% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HA    SER  117  28.44 +/- 1.25   0.000% *  0.2089% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3275 (8.68, 4.24, 61.69 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 3.11, residual support = 15.0:
      O   HN    SER  117 - HA    SER  117   2.81 +/- 0.04  99.999% * 99.3923% (0.57   3.11  14.98) = 100.000%  kept
          HN    GLY   16 - HA    SER  117  22.78 +/- 0.55   0.000% *  0.3846% (0.34   0.02   0.02) =   0.000%
          HN    ALA   20 - HA    SER  117  25.32 +/- 0.45   0.000% *  0.2231% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 0.15, support = 0.0195, residual support = 0.0195:
          HN    LYS+  81 - QB    SER   85   5.44 +/- 0.06  86.975% *  3.4992% (0.12   0.02   0.02) =  79.199%  kept
          QE    PHE   95 - QB    SER  117   8.75 +/- 0.39   5.225% *  4.5788% (0.15   0.02   0.02) =   6.226%  kept
          QD    PHE   55 - QB    SER  117  10.71 +/- 0.41   1.550% * 14.4446% (0.49   0.02   0.02) =   5.826%  kept
          HN    LYS+  81 - QB    SER   48  10.11 +/- 0.57   2.277% *  5.8981% (0.20   0.02   0.02) =   3.495%  kept
          QD    PHE   60 - QB    SER  117  11.73 +/- 0.44   0.894% * 12.2000% (0.41   0.02   0.02) =   2.838%  kept
          QD    PHE   60 - QB    SER   48  11.82 +/- 0.96   0.978% *  3.1728% (0.11   0.02   0.02) =   0.807%
          QD    PHE   55 - QB    SER   48  12.92 +/- 0.76   0.521% *  3.7566% (0.13   0.02   0.02) =   0.509%
          HE3   TRP   27 - QB    SER   48  13.45 +/- 0.62   0.402% *  4.3694% (0.15   0.02   0.02) =   0.457%
          HE3   TRP   27 - QB    SER   85  13.50 +/- 0.25   0.378% *  2.5923% (0.09   0.02   0.02) =   0.255%
          QE    PHE   95 - QB    SER   48  12.52 +/- 0.57   0.617% *  1.1908% (0.04   0.02   0.02) =   0.191%
          HE3   TRP   27 - QB    SER  117  21.41 +/- 0.44   0.024% * 16.8009% (0.57   0.02   0.02) =   0.104%
          QD    PHE   60 - QB    SER   85  17.86 +/- 0.27   0.070% *  1.8824% (0.06   0.02   0.02) =   0.034%
          HN    LYS+  81 - QB    SER  117  27.22 +/- 0.43   0.006% * 22.6789% (0.76   0.02   0.02) =   0.033%
          QD    PHE   55 - QB    SER   85  21.27 +/- 0.65   0.025% *  2.2287% (0.08   0.02   0.02) =   0.014%
          QE    PHE   95 - QB    SER   85  18.32 +/- 0.29   0.060% *  0.7065% (0.02   0.02   0.02) =   0.011%
    Distance limit 3.89 A violated in 20 structures by 1.45 A, eliminated.
    Peak unassigned.
 
    Peak 3280 (0.23, 3.88, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.6, residual support = 36.2:
      O T QG2   THR  118 - HB    THR  118   2.15 +/- 0.01 100.000% *100.0000% (0.98   3.60  36.17) = 100.000%  kept
    Distance limit 3.15 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 = 0.94, support = 0.955, residual support = 4.44:
          QG1   VAL  107 - HB    THR  118   2.30 +/- 0.18  96.126% * 40.7090% (0.98   0.75   2.79) =  94.703%  kept
          HG13  ILE  119 - HB    THR  118   4.46 +/- 0.88   3.848% * 56.8734% (0.22   4.61  34.05) =   5.297%  kept
          HD3   LYS+ 112 - HB    THR  118   9.55 +/- 0.81   0.025% *  0.9251% (0.84   0.02   0.02) =   0.001%
          QG1   VAL   24 - HB    THR  118  20.72 +/- 1.12   0.000% *  1.0224% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    THR  118  20.75 +/- 0.81   0.000% *  0.2762% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    THR  118  21.84 +/- 0.81   0.000% *  0.1940% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 0.448, support = 1.85, residual support = 5.66:
          QE    PHE   59 - HB    THR  118   2.34 +/- 0.38  99.666% * 94.0379% (0.45   1.85   5.66) =  99.993%  kept
          HN    HIS  122 - HB    THR  118   6.70 +/- 0.21   0.277% *  2.0960% (0.92   0.02   3.92) =   0.006%
          HN    PHE   59 - HB    THR  118   8.64 +/- 0.20   0.057% *  1.8965% (0.84   0.02   5.66) =   0.001%
          HH2   TRP   87 - HB    THR  118  23.81 +/- 0.86   0.000% *  1.9695% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3283 (8.18, 3.88, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.86, residual support = 36.2:
      O   HN    THR  118 - HB    THR  118   2.26 +/- 0.05  99.009% * 98.6973% (0.98   3.86  36.17) =  99.996%  kept
          HN    GLN  116 - HB    THR  118   5.04 +/- 0.12   0.812% *  0.4177% (0.80   0.02   0.02) =   0.003%
          HN    GLU- 114 - HB    THR  118   6.79 +/- 0.30   0.144% *  0.1779% (0.34   0.02   0.39) =   0.000%
          HN    PHE   60 - HB    THR  118   8.55 +/- 0.14   0.034% *  0.5113% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB    THR  118  23.01 +/- 0.60   0.000% *  0.1958% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 3.49, residual support = 36.2:
      O T QG2   THR  118 - HA    THR  118   2.54 +/- 0.04 100.000% *100.0000% (0.14   3.49  36.17) = 100.000%  kept
    Distance limit 3.10 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 = 0.83, support = 0.0192, residual support = 32.7:
        T QG2   ILE  119 - HA    THR  118   6.04 +/- 0.07  87.820% * 32.7034% (0.87   0.02  34.05) =  95.890%  kept
          QD1   ILE  103 - HA    THR  118  11.37 +/- 0.57   2.073% * 28.3049% (0.75   0.02   0.02) =   1.959%
          QG2   ILE  103 - HA    THR  118   8.73 +/- 0.30   9.778% *  5.9347% (0.16   0.02   0.02) =   1.938%
          QD2   LEU   71 - HA    THR  118  16.38 +/- 0.33   0.222% * 24.6071% (0.65   0.02   0.02) =   0.183%
          HG3   LYS+  74 - HA    THR  118  18.62 +/- 0.74   0.106% *  8.4498% (0.22   0.02   0.02) =   0.030%
    Distance limit 3.24 A violated in 20 structures by 2.80 A, eliminated.
    Peak unassigned.
 
    Peak 3286 (1.10, 3.69, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.858, support = 0.02, residual support = 3.68:
          QG1   VAL  107 - HA    THR  118   4.05 +/- 0.10  88.309% * 28.9511% (0.88   0.02   2.79) =  96.975%  kept
        T HG13  ILE  119 - HA    THR  118   5.92 +/- 0.68  11.525% *  6.5757% (0.20   0.02  34.05) =   2.875%  kept
          HD3   LYS+ 112 - HA    THR  118  11.87 +/- 0.82   0.155% * 24.6705% (0.75   0.02   0.02) =   0.145%
          QG1   VAL   24 - HA    THR  118  21.98 +/- 1.14   0.004% * 27.2651% (0.83   0.02   0.02) =   0.004%
          HB3   LEU   31 - HA    THR  118  21.25 +/- 0.82   0.004% *  7.3649% (0.22   0.02   0.02) =   0.001%
          QG2   VAL   24 - HA    THR  118  22.94 +/- 0.81   0.003% *  5.1727% (0.16   0.02   0.02) =   0.001%
    Distance limit 3.51 A violated in 20 structures by 0.46 A, eliminated.
    Peak unassigned.
 
    Peak 3287 (1.50, 3.69, 26.01 ppm):
    10 chemical-shift based assignments, quality = 0.682, support = 2.42, residual support = 9.88:
          HD2   LYS+ 121 - HA    THR  118   3.76 +/- 1.21  41.702% * 73.3402% (0.89   2.22   9.88) =  68.878%  kept
        T HB3   LYS+ 121 - HA    THR  118   3.03 +/- 0.62  58.159% * 23.7604% (0.22   2.86   9.88) =  31.121%  kept
          QD    LYS+  66 - HA    THR  118  11.66 +/- 0.88   0.022% *  0.4836% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    THR  118   9.43 +/- 0.30   0.072% *  0.1166% (0.16   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR  118  11.22 +/- 0.38   0.027% *  0.1660% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    THR  118  12.73 +/- 0.54   0.013% *  0.1483% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR  118  16.63 +/- 0.37   0.002% *  0.6659% (0.90   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    THR  118  17.73 +/- 0.40   0.002% *  0.5562% (0.75   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    THR  118  21.30 +/- 0.31   0.001% *  0.6600% (0.89   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    THR  118  17.02 +/- 0.43   0.002% *  0.1027% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3288 (2.05, 3.69, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.686, support = 0.0199, residual support = 32.6:
        T HB    ILE  119 - HA    THR  118   5.67 +/- 0.11  95.831% * 11.7350% (0.69   0.02  34.05) =  95.739%  kept
          HB    VAL  108 - HA    THR  118  10.24 +/- 0.48   2.867% * 14.5256% (0.85   0.02   0.02) =   3.545%  kept
          HB2   PRO   93 - HA    THR  118  15.10 +/- 0.24   0.270% * 14.5256% (0.85   0.02   0.02) =   0.333%
          HG2   PRO   58 - HA    THR  118  13.09 +/- 0.62   0.655% *  2.6892% (0.16   0.02   0.02) =   0.150%
          HB2   ARG+  54 - HA    THR  118  19.19 +/- 0.27   0.064% * 15.0514% (0.88   0.02   0.02) =   0.082%
          HB3   GLU- 100 - HA    THR  118  19.00 +/- 0.40   0.068% * 10.5478% (0.62   0.02   0.02) =   0.061%
          HB2   GLN   30 - HA    THR  118  21.25 +/- 0.47   0.035% * 11.7350% (0.69   0.02   0.02) =   0.035%
          HG3   PRO   52 - HA    THR  118  18.39 +/- 0.71   0.085% *  2.6892% (0.16   0.02   0.02) =   0.020%
          HB3   PRO   68 - HA    THR  118  18.14 +/- 0.57   0.093% *  2.3693% (0.14   0.02   0.02) =   0.019%
          HG3   GLN   30 - HA    THR  118  23.17 +/- 0.67   0.021% *  6.8843% (0.40   0.02   0.02) =   0.012%
          HB2   GLU-  14 - HA    THR  118  26.88 +/- 1.27   0.009% *  3.4187% (0.20   0.02   0.02) =   0.003%
          HG2   MET   11 - HA    THR  118  32.55 +/- 3.06   0.003% *  3.8289% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.88 A violated in 20 structures by 1.76 A, eliminated.
    Peak unassigned.
 
    Peak 3289 (2.28, 3.69, 26.01 ppm):
    8 chemical-shift based assignments, quality = 0.393, support = 0.0196, residual support = 33.3:
        T HG12  ILE  119 - HA    THR  118   5.80 +/- 0.15  98.895% *  7.5582% (0.40   0.02  34.05) =  97.778%  kept
          HB2   ASP-  44 - HA    THR  118  13.52 +/- 0.16   0.625% * 15.9474% (0.85   0.02   0.02) =   1.303%
          HB3   PHE   72 - HA    THR  118  15.04 +/- 0.57   0.340% * 14.6235% (0.78   0.02   0.02) =   0.651%
          QG    GLU-  15 - HA    THR  118  19.56 +/- 1.19   0.073% * 16.7092% (0.89   0.02   0.02) =   0.160%
          QG    GLN   90 - HA    THR  118  22.76 +/- 0.56   0.028% * 13.4992% (0.72   0.02   0.02) =   0.049%
          QG    GLU-  14 - HA    THR  118  24.07 +/- 1.18   0.021% * 15.5623% (0.83   0.02   0.02) =   0.043%
          QB    MET   11 - HA    THR  118  29.13 +/- 2.14   0.007% * 13.4992% (0.72   0.02   0.02) =   0.012%
          HB2   GLU-  29 - HA    THR  118  26.76 +/- 0.58   0.010% *  2.6012% (0.14   0.02   0.02) =   0.004%
    Distance limit 3.90 A violated in 20 structures by 1.90 A, eliminated.
    Peak unassigned.
 
    Peak 3290 (3.89, 3.69, 26.01 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.13, residual support = 36.2:
      O T HB    THR  118 - HA    THR  118   3.06 +/- 0.00  99.932% * 98.7979% (0.72   3.13  36.17) = 100.000%  kept
          HA    PHE   60 - HA    THR  118  10.42 +/- 0.20   0.064% *  0.1381% (0.16   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR  118  18.29 +/- 0.51   0.002% *  0.2192% (0.25   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    THR  118  21.12 +/- 0.63   0.001% *  0.3241% (0.37   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR  118  22.77 +/- 0.50   0.001% *  0.3241% (0.37   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR  118  25.15 +/- 1.18   0.000% *  0.1966% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3291 (7.19, 3.69, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.846, support = 0.02, residual support = 5.65:
          QD    PHE   59 - HA    THR  118   6.81 +/- 0.24  99.774% * 25.6201% (0.85   0.02   5.66) =  99.777%  kept
          HE21  GLN   30 - HA    THR  118  21.11 +/- 1.02   0.120% * 26.1376% (0.87   0.02   0.02) =   0.122%
          HD1   TRP   27 - HA    THR  118  23.53 +/- 0.39   0.060% * 25.6201% (0.85   0.02   0.02) =   0.060%
          HH2   TRP   49 - HA    THR  118  24.81 +/- 1.18   0.046% * 22.6222% (0.75   0.02   0.02) =   0.041%
    Distance limit 3.52 A violated in 20 structures by 3.29 A, eliminated.
    Peak unassigned.
 
    Peak 3292 (7.48, 3.69, 26.01 ppm):
    3 chemical-shift based assignments, quality = 0.472, support = 0.02, residual support = 0.02:
          HN    LEU  123 - HA    THR  118   6.68 +/- 0.24  99.888% * 43.4534% (0.47   0.02   0.02) =  99.936%  kept
          HZ2   TRP   49 - HA    THR  118  24.78 +/- 0.79   0.040% * 40.2018% (0.44   0.02   0.02) =   0.037%
          HE21  GLN   17 - HA    THR  118  22.52 +/- 0.97   0.071% * 16.3448% (0.18   0.02   0.02) =   0.027%
    Distance limit 3.92 A violated in 20 structures by 2.76 A, eliminated.
    Peak unassigned.
 
    Peak 3293 (7.93, 3.69, 26.01 ppm):
    5 chemical-shift based assignments, quality = 0.508, support = 5.92, residual support = 34.1:
      O   HN    ILE  119 - HA    THR  118   3.52 +/- 0.03  99.994% * 98.7789% (0.51   5.92  34.05) = 100.000%  kept
          HN    CYS   21 - HA    THR  118  20.89 +/- 0.30   0.002% *  0.5692% (0.87   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    THR  118  23.44 +/- 0.54   0.001% *  0.3339% (0.51   0.02   0.02) =   0.000%
          HN    SER   37 - HA    THR  118  22.46 +/- 0.52   0.002% *  0.1167% (0.18   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    THR  118  24.64 +/- 0.28   0.001% *  0.2012% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3294 (8.20, 3.69, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.508, support = 3.74, residual support = 36.2:
      O   HN    THR  118 - HA    THR  118   2.84 +/- 0.03  99.493% * 98.1657% (0.51   3.74  36.17) =  99.998%  kept
          HN    GLN  116 - HA    THR  118   6.91 +/- 0.07   0.479% *  0.2864% (0.28   0.02   0.02) =   0.001%
          HN    PHE   60 - HA    THR  118  11.13 +/- 0.16   0.027% *  0.7430% (0.72   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    THR  118  24.04 +/- 0.68   0.000% *  0.8049% (0.78   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.401, support = 3.42, residual support = 35.8:
      O T HA    THR  118 - HB    THR  118   3.06 +/- 0.00  91.309% * 31.1502% (0.38   3.13  36.17) =  83.041%  kept
          HA    ILE  119 - HB    THR  118   4.54 +/- 0.06   8.577% * 67.7193% (0.53   4.85  34.05) =  16.958%  kept
          HD3   PRO   58 - HB    THR  118  10.18 +/- 0.21   0.068% *  0.2581% (0.49   0.02   0.02) =   0.001%
          HA2   GLY  109 - HB    THR  118  10.98 +/- 0.24   0.043% *  0.0818% (0.15   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    THR  118  17.80 +/- 0.31   0.002% *  0.4053% (0.76   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    THR  118  23.22 +/- 0.41   0.000% *  0.2378% (0.45   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    THR  118  22.09 +/- 0.22   0.001% *  0.1475% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.15 A, kept.
 
    Peak 3296 (1.11, 0.24, 62.25 ppm):
    6 chemical-shift based assignments, quality = 0.508, support = 2.11, residual support = 2.79:
          QG1   VAL  107 - QG2   THR  118   1.78 +/- 0.08  99.443% * 94.4664% (0.51   2.11   2.79) =  99.994%  kept
          HG13  ILE  119 - QG2   THR  118   4.45 +/- 0.56   0.552% *  1.0868% (0.62   0.02  34.05) =   0.006%
          HD3   LYS+ 112 - QG2   THR  118   9.83 +/- 0.67   0.004% *  1.5268% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   THR  118  15.52 +/- 0.66   0.000% *  1.1488% (0.65   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   THR  118  16.23 +/- 0.94   0.000% *  1.4189% (0.80   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   THR  118  13.75 +/- 0.35   0.000% *  0.3522% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 0.28, support = 1.59, residual support = 5.4:
        T HB3   ASP- 105 - QG2   THR  118   3.43 +/- 0.07  93.175% * 29.5356% (0.25   1.58   5.76) =  87.969%  kept
          QB    LYS+ 106 - QG2   THR  118   5.42 +/- 0.15   6.084% * 61.7610% (0.51   1.63   2.80) =  12.011%  kept
          HB    ILE   56 - QG2   THR  118   9.14 +/- 0.26   0.269% *  1.2700% (0.85   0.02   0.02) =   0.011%
          HB3   PRO   58 - QG2   THR  118  10.03 +/- 0.17   0.152% *  0.9222% (0.62   0.02   0.02) =   0.004%
          HB    ILE  103 - QG2   THR  118   9.54 +/- 0.24   0.202% *  0.2989% (0.20   0.02   0.02) =   0.002%
          HB2   MET   92 - QG2   THR  118  12.60 +/- 0.38   0.039% *  1.1646% (0.78   0.02   0.02) =   0.001%
          HB3   LYS+  38 - QG2   THR  118  15.47 +/- 0.67   0.012% *  1.3396% (0.89   0.02   0.02) =   0.001%
          HB3   GLN   30 - QG2   THR  118  15.55 +/- 0.49   0.011% *  1.2956% (0.87   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   THR  118  13.65 +/- 0.75   0.026% *  0.2657% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   THR  118  15.38 +/- 0.55   0.012% *  0.5039% (0.34   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   THR  118  15.14 +/- 0.41   0.013% *  0.3348% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   THR  118  18.34 +/- 0.37   0.004% *  0.6019% (0.40   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   THR  118  20.18 +/- 0.29   0.002% *  0.7063% (0.47   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3298 (2.25, 0.24, 62.25 ppm):
    11 chemical-shift based assignments, quality = 0.58, support = 2.48, residual support = 12.7:
        T HB2   ASP- 105 - QG2   THR  118   2.92 +/- 0.22  94.034% * 15.6655% (0.51   1.58   5.76) =  75.638%  kept
          HG12  ILE  119 - QG2   THR  118   4.76 +/- 0.39   5.736% * 82.7120% (0.80   5.27  34.05) =  24.361%  kept
          HB2   ASP-  44 - QG2   THR  118   8.70 +/- 0.16   0.142% *  0.1312% (0.34   0.02   0.02) =   0.001%
          HB3   PHE   72 - QG2   THR  118  10.29 +/- 0.52   0.054% *  0.1702% (0.44   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   THR  118  13.94 +/- 0.61   0.009% *  0.3228% (0.83   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   THR  118  14.03 +/- 0.27   0.008% *  0.0972% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   THR  118  14.78 +/- 1.01   0.007% *  0.0972% (0.25   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   THR  118  17.09 +/- 0.47   0.003% *  0.1980% (0.51   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   THR  118  19.89 +/- 0.47   0.001% *  0.3428% (0.88   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   THR  118  16.72 +/- 0.49   0.003% *  0.1193% (0.31   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   THR  118  18.33 +/- 1.04   0.002% *  0.1438% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3299 (3.70, 0.24, 62.25 ppm):
    7 chemical-shift based assignments, quality = 0.359, support = 3.68, residual support = 35.8:
      O T HA    THR  118 - QG2   THR  118   2.54 +/- 0.04  90.368% * 34.4759% (0.34   3.49  36.17) =  83.491%  kept
        T HA    ILE  119 - QG2   THR  118   3.70 +/- 0.07   9.566% * 64.4007% (0.47   4.65  34.05) =  16.509%  kept
          HD3   PRO   58 - QG2   THR  118   9.45 +/- 0.21   0.034% *  0.2565% (0.44   0.02   0.02) =   0.000%
          HA2   GLY  109 - QG2   THR  118   9.81 +/- 0.20   0.027% *  0.0813% (0.14   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   THR  118  13.99 +/- 0.30   0.003% *  0.4027% (0.69   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   THR  118  17.79 +/- 0.24   0.001% *  0.1465% (0.25   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   THR  118  19.84 +/- 0.39   0.000% *  0.2363% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 3.6, residual support = 36.2:
      O T HB    THR  118 - QG2   THR  118   2.15 +/- 0.01  99.873% * 98.9528% (0.72   3.60  36.17) = 100.000%  kept
          HA    PHE   60 - QG2   THR  118   6.59 +/- 0.23   0.124% *  0.1203% (0.16   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   THR  118  13.69 +/- 0.44   0.002% *  0.1910% (0.25   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR  118  15.95 +/- 0.49   0.001% *  0.2823% (0.37   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR  118  16.85 +/- 0.47   0.000% *  0.2823% (0.37   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR  118  19.48 +/- 0.89   0.000% *  0.1713% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 1.3, residual support = 3.92:
          HD2   HIS  122 - QG2   THR  118   3.03 +/- 0.06  99.706% * 97.3317% (0.90   1.30   3.92) =  99.997%  kept
          HE22  GLN  116 - QG2   THR  118   8.96 +/- 0.34   0.154% *  1.4922% (0.89   0.02   0.02) =   0.002%
          QD    PHE   45 - QG2   THR  118   9.11 +/- 0.22   0.138% *  0.5613% (0.34   0.02   0.02) =   0.001%
          HE22  GLN   17 - QG2   THR  118  18.00 +/- 0.66   0.002% *  0.6148% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3302 (7.19, 0.24, 62.25 ppm):
    4 chemical-shift based assignments, quality = 0.848, support = 0.02, residual support = 5.66:
          QD    PHE   59 - QG2   THR  118   4.31 +/- 0.21  99.899% * 25.6201% (0.85   0.02   5.66) =  99.900%  kept
          HE21  GLN   30 - QG2   THR  118  15.15 +/- 0.83   0.058% * 26.1376% (0.87   0.02   0.02) =   0.059%
          HD1   TRP   27 - QG2   THR  118  17.15 +/- 0.30   0.026% * 25.6201% (0.85   0.02   0.02) =   0.026%
          HH2   TRP   49 - QG2   THR  118  18.67 +/- 0.94   0.016% * 22.6222% (0.75   0.02   0.02) =   0.015%
    Distance limit 3.50 A violated in 20 structures by 0.81 A, eliminated.
    Peak unassigned.
 
    Peak 3303 (0.25, 3.69, 66.88 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 4.65, residual support = 34.1:
        T QG2   THR  118 - HA    ILE  119   3.70 +/- 0.07 100.000% *100.0000% (0.57   4.65  34.05) = 100.000%  kept
    Distance limit 3.78 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3304 (1.49, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.451, support = 0.0197, residual support = 36.1:
          QB    ALA  120 - HA    ILE  119   5.03 +/- 0.01  70.898% *  9.2332% (0.45   0.02  48.87) =  70.925%  kept
          HG    LEU  115 - HA    ILE  119   7.04 +/- 0.68  11.660% *  9.2332% (0.45   0.02  11.63) =  11.665%  kept
          HD2   LYS+ 121 - HA    ILE  119   7.37 +/- 0.75   8.509% * 12.4912% (0.61   0.02   0.71) =  11.516%  kept
          QD    LYS+  66 - HA    ILE  119   7.56 +/- 0.96   8.041% *  5.1353% (0.25   0.02   0.02) =   4.474%  kept
          HB3   LEU   40 - HA    ILE  119  11.99 +/- 0.78   0.434% * 14.1465% (0.69   0.02   0.02) =   0.666%
          HG2   LYS+  65 - HA    ILE  119  12.20 +/- 0.40   0.356% * 14.1465% (0.69   0.02   0.02) =   0.546%
          HB2   LYS+  74 - HA    ILE  119  15.56 +/- 0.50   0.082% * 19.8751% (0.97   0.02   0.02) =   0.178%
          QG2   THR   26 - HA    ILE  119  19.93 +/- 0.34   0.018% * 15.7389% (0.76   0.02   0.02) =   0.031%
    Distance limit 3.90 A violated in 20 structures by 0.84 A, eliminated.
    Peak unassigned.
 
    Peak 3305 (7.19, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 0.02, residual support = 17.8:
          QD    PHE   59 - HA    ILE  119   4.44 +/- 0.20  99.977% * 25.6201% (0.95   0.02  17.84) =  99.977%  kept
          HE21  GLN   30 - HA    ILE  119  19.66 +/- 1.16   0.015% * 26.1376% (0.97   0.02   0.02) =   0.015%
          HD1   TRP   27 - HA    ILE  119  23.38 +/- 0.43   0.005% * 25.6201% (0.95   0.02   0.02) =   0.005%
          HH2   TRP   49 - HA    ILE  119  25.12 +/- 1.09   0.003% * 22.6222% (0.84   0.02   0.02) =   0.003%
    Distance limit 3.31 A violated in 20 structures by 1.13 A, eliminated.
    Peak unassigned.
 
    Peak 3306 (7.92, 3.69, 66.88 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 8.31, residual support = 246.7:
      O   HN    ILE  119 - HA    ILE  119   2.80 +/- 0.02  99.998% * 99.3968% (0.98   8.31 246.70) = 100.000%  kept
          HN    CYS   21 - HA    ILE  119  19.20 +/- 0.42   0.001% *  0.2038% (0.84   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE  119  21.64 +/- 0.61   0.000% *  0.1579% (0.65   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ILE  119  25.65 +/- 0.34   0.000% *  0.2038% (0.84   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE  119  22.47 +/- 0.61   0.000% *  0.0377% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.268, support = 4.53, residual support = 41.7:
      O   HN    ALA  120 - HA    ILE  119   3.63 +/- 0.01  89.763% * 36.0959% (0.18   4.99  48.87) =  85.171%  kept
          HN    LEU  123 - HA    ILE  119   5.34 +/- 0.19   9.044% * 62.2678% (0.80   1.88   0.27) =  14.804%  kept
          HN    ALA  124 - HA    ILE  119   7.47 +/- 0.14   1.188% *  0.8100% (0.98   0.02   0.02) =   0.025%
          HE21  GLN   17 - HA    ILE  119  18.77 +/- 1.03   0.005% *  0.8263% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 2.4, residual support = 14.6:
          HA    GLN  116 - HB    ILE  119   2.96 +/- 0.33  99.986% * 96.3923% (0.84   2.40  14.59) = 100.000%  kept
          HA    VAL   70 - HB    ILE  119  16.20 +/- 0.59   0.005% *  0.8019% (0.84   0.02   0.02) =   0.000%
          HA    VAL   18 - HB    ILE  119  16.36 +/- 0.51   0.004% *  0.4372% (0.46   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB    ILE  119  16.85 +/- 0.63   0.004% *  0.2565% (0.27   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    ILE  119  23.59 +/- 0.81   0.000% *  0.5376% (0.56   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    ILE  119  26.01 +/- 0.58   0.000% *  0.6034% (0.63   0.02   0.02) =   0.000%
          HA    SER   48 - HB    ILE  119  22.71 +/- 0.91   0.001% *  0.1282% (0.13   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    ILE  119  28.70 +/- 0.63   0.000% *  0.4705% (0.49   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    ILE  119  30.79 +/- 0.76   0.000% *  0.3725% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3309 (7.44, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 5.1, residual support = 48.9:
          HN    ALA  120 - HB    ILE  119   2.56 +/- 0.17  88.242% * 98.5696% (0.53   5.10  48.87) =  99.978%  kept
          HE21  GLN  116 - HB    ILE  119   3.88 +/- 0.56  11.282% *  0.1590% (0.22   0.02  14.59) =   0.021%
          HN    LEU  123 - HB    ILE  119   6.46 +/- 0.32   0.343% *  0.1968% (0.27   0.02   0.27) =   0.001%
          HN    ALA  124 - HB    ILE  119   7.64 +/- 0.27   0.125% *  0.5105% (0.69   0.02   0.02) =   0.001%
          HN    ALA   57 - HB    ILE  119  12.40 +/- 0.32   0.007% *  0.1262% (0.17   0.02   0.02) =   0.000%
          HE21  GLN   17 - HB    ILE  119  20.42 +/- 1.30   0.000% *  0.4379% (0.60   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 246.7:
      O   HN    ILE  119 - HB    ILE  119   2.33 +/- 0.18 100.000% * 99.3349% (0.85   7.53 246.70) = 100.000%  kept
          HN    CYS   21 - HB    ILE  119  21.31 +/- 0.47   0.000% *  0.2247% (0.72   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE  119  24.60 +/- 0.62   0.000% *  0.1741% (0.56   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    ILE  119  27.08 +/- 0.28   0.000% *  0.2247% (0.72   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE  119  25.36 +/- 0.62   0.000% *  0.0415% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3311 (3.97, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.566, support = 3.84, residual support = 48.9:
          HA    ALA  120 - QG2   ILE  119   3.33 +/- 0.22  98.050% * 94.9003% (0.57   3.84  48.87) =  99.994%  kept
          HA    LYS+ 121 - QG2   ILE  119   6.63 +/- 0.13   1.610% *  0.1726% (0.20   0.02   0.71) =   0.003%
          HA    LYS+  65 - QG2   ILE  119   9.36 +/- 0.72   0.269% *  0.8250% (0.95   0.02   0.02) =   0.002%
          HA2   GLY   16 - QG2   ILE  119  13.25 +/- 0.76   0.030% *  0.7822% (0.90   0.02   0.02) =   0.000%
          HB    THR   94 - QG2   ILE  119  14.01 +/- 0.37   0.020% *  0.2175% (0.25   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   ILE  119  17.31 +/- 0.64   0.006% *  0.6665% (0.76   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   ILE  119  18.50 +/- 0.92   0.004% *  0.2975% (0.34   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   ILE  119  19.00 +/- 0.99   0.003% *  0.2692% (0.31   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   ILE  119  21.70 +/- 0.82   0.001% *  0.4938% (0.57   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   ILE  119  17.71 +/- 0.47   0.005% *  0.1346% (0.15   0.02   0.02) =   0.000%
          QB    SER   85 - QG2   ILE  119  24.13 +/- 0.45   0.001% *  0.7822% (0.90   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   ILE  119  25.34 +/- 0.60   0.001% *  0.4588% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3312 (7.44, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 5.76, residual support = 48.8:
          HN    ALA  120 - QG2   ILE  119   3.12 +/- 0.29  70.562% * 98.7318% (0.61   5.76  48.87) =  99.931%  kept
          HE21  GLN  116 - QG2   ILE  119   3.89 +/- 0.45  22.101% *  0.1409% (0.25   0.02  14.59) =   0.045%
          HN    LEU  123 - QG2   ILE  119   4.82 +/- 0.24   5.890% *  0.1745% (0.31   0.02   0.27) =   0.015%
          HN    ALA  124 - QG2   ILE  119   6.05 +/- 0.22   1.383% *  0.4526% (0.80   0.02   0.02) =   0.009%
          HN    ALA   57 - QG2   ILE  119  10.45 +/- 0.39   0.058% *  0.1119% (0.20   0.02   0.02) =   0.000%
          HE21  GLN   17 - QG2   ILE  119  15.62 +/- 1.11   0.006% *  0.3883% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 246.7:
          HN    ILE  119 - QG2   ILE  119   3.65 +/- 0.07  99.984% * 99.2737% (0.80   7.87 246.70) = 100.000%  kept
          HN    SER   37 - QG2   ILE  119  19.67 +/- 0.76   0.004% *  0.3146% (1.00   0.02   0.02) =   0.000%
          HN    CYS   21 - QG2   ILE  119  17.25 +/- 0.74   0.010% *  0.1075% (0.34   0.02   0.02) =   0.000%
          HN    ILE   89 - QG2   ILE  119  23.21 +/- 0.53   0.002% *  0.3042% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3314 (0.60, 2.26, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 2.25, residual support = 11.6:
          QD2   LEU  115 - HG12  ILE  119   2.07 +/- 0.34  96.962% * 96.2454% (0.90   2.25  11.63) =  99.982%  kept
          QD1   LEU   63 - HG12  ILE  119   4.62 +/- 0.71   3.030% *  0.5401% (0.57   0.02   0.02) =   0.018%
          QD1   LEU  104 - HG12  ILE  119  11.83 +/- 0.52   0.006% *  0.9539% (1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG12  ILE  119  15.85 +/- 0.65   0.001% *  0.5401% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG12  ILE  119  20.04 +/- 0.66   0.000% *  0.8806% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG12  ILE  119  20.36 +/- 0.94   0.000% *  0.6927% (0.73   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG12  ILE  119  17.35 +/- 0.34   0.000% *  0.1472% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3315 (0.60, 1.12, 30.83 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 2.25, residual support = 11.6:
          QD2   LEU  115 - HG13  ILE  119   2.80 +/- 0.55  80.783% * 96.2454% (0.90   2.25  11.63) =  99.867%  kept
          QD1   LEU   63 - HG13  ILE  119   3.74 +/- 0.58  19.181% *  0.5401% (0.57   0.02   0.02) =   0.133%
          QD1   LEU  104 - HG13  ILE  119  11.06 +/- 0.40   0.028% *  0.9539% (1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG13  ILE  119  14.97 +/- 0.56   0.005% *  0.5401% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG13  ILE  119  19.42 +/- 0.55   0.001% *  0.8806% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG13  ILE  119  19.87 +/- 0.75   0.001% *  0.6927% (0.73   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG13  ILE  119  17.20 +/- 0.62   0.002% *  0.1472% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3316 (0.17, 1.12, 30.83 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - HG13  ILE  119  10.07 +/- 0.47 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.66 A violated in 20 structures by 6.41 A, eliminated.
    Peak unassigned.
 
    Peak 3317 (7.19, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.69, residual support = 17.8:
          QD    PHE   59 - HG13  ILE  119   2.85 +/- 0.31  99.998% * 97.8875% (0.95   2.69  17.84) = 100.000%  kept
          HE21  GLN   30 - HG13  ILE  119  19.74 +/- 1.21   0.001% *  0.7423% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   27 - HG13  ILE  119  23.46 +/- 0.62   0.000% *  0.7276% (0.95   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG13  ILE  119  23.67 +/- 1.28   0.000% *  0.6425% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3318 (7.91, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.95, residual support = 246.7:
          HN    ILE  119 - HG13  ILE  119   3.05 +/- 0.71  99.995% * 99.1784% (0.80   6.95 246.70) = 100.000%  kept
          HN    CYS   21 - HG13  ILE  119  18.64 +/- 0.52   0.004% *  0.1216% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE  119  22.84 +/- 0.60   0.001% *  0.3558% (1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HG13  ILE  119  24.89 +/- 0.75   0.001% *  0.3441% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3319 (7.20, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.95, residual support = 17.8:
          QD    PHE   59 - HG12  ILE  119   3.38 +/- 0.49  99.996% * 98.6953% (0.84   2.95  17.84) = 100.000%  kept
          HE21  GLN   30 - HG12  ILE  119  20.82 +/- 1.07   0.002% *  0.3894% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - HG12  ILE  119  24.33 +/- 0.68   0.001% *  0.6683% (0.84   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG12  ILE  119  23.56 +/- 1.15   0.001% *  0.2469% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 4 structures by 0.13 A, kept.
 
    Peak 3320 (7.91, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.47, residual support = 246.7:
          HN    ILE  119 - HG12  ILE  119   2.57 +/- 0.22  99.999% * 99.2355% (0.80   7.47 246.70) = 100.000%  kept
          HN    CYS   21 - HG12  ILE  119  19.53 +/- 0.67   0.001% *  0.1132% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE  119  24.08 +/- 0.77   0.000% *  0.3311% (1.00   0.02   0.02) =   0.000%
          HN    ILE   89 - HG12  ILE  119  25.08 +/- 0.40   0.000% *  0.3202% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3321 (0.17, 1.02, 16.06 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - QD1   ILE  119   9.34 +/- 0.78 100.000% *100.0000% (0.66   0.02   0.02) = 100.000%  kept
    Distance limit 3.12 A violated in 20 structures by 6.21 A, eliminated.
    Peak unassigned.
 
    Peak 3322 (0.61, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.397, support = 4.76, residual support = 11.6:
          QD2   LEU  115 - QD1   ILE  119   1.85 +/- 0.12  98.345% * 97.0180% (0.40   4.76  11.63) =  99.997%  kept
        T QD1   LEU   63 - QD1   ILE  119   3.99 +/- 0.62   1.650% *  0.1530% (0.15   0.02   0.02) =   0.003%
        T QD1   LEU  104 - QD1   ILE  119  10.55 +/- 0.52   0.003% *  0.6810% (0.66   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD1   ILE  119  14.83 +/- 0.43   0.000% *  0.5613% (0.55   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   ILE  119  17.29 +/- 0.65   0.000% *  0.9892% (0.96   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD1   ILE  119  13.26 +/- 0.71   0.001% *  0.1530% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   ILE  119  16.80 +/- 0.61   0.000% *  0.4445% (0.43   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3323 (4.03, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 4.0, residual support = 14.6:
        T HA    GLN  116 - QD1   ILE  119   2.86 +/- 0.49  99.918% * 97.3505% (0.51   4.00  14.59) = 100.000%  kept
          HA1   GLY   16 - QD1   ILE  119  12.64 +/- 0.83   0.024% *  0.7409% (0.77   0.02   0.02) =   0.000%
          HA    VAL   70 - QD1   ILE  119  13.10 +/- 0.82   0.020% *  0.4868% (0.51   0.02   0.02) =   0.000%
          HA    VAL   18 - QD1   ILE  119  11.91 +/- 0.79   0.035% *  0.1252% (0.13   0.02   0.02) =   0.000%
          HB2   SER   37 - QD1   ILE  119  19.37 +/- 0.90   0.002% *  0.9232% (0.96   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD1   ILE  119  21.05 +/- 0.80   0.001% *  0.2307% (0.24   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD1   ILE  119  22.91 +/- 0.85   0.001% *  0.1428% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3324 (6.72, 1.02, 16.06 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 0.02, residual support = 0.02:
        T HZ    PHE   72 - QD1   ILE  119   7.72 +/- 0.90  62.137% * 81.6578% (0.96   0.02   0.02) =  87.960%  kept
        T QD    PHE   72 - QD1   ILE  119   8.37 +/- 0.69  37.863% * 18.3422% (0.21   0.02   0.02) =  12.040%  kept
    Distance limit 3.36 A violated in 20 structures by 3.75 A, eliminated.
    Peak unassigned.
 
    Peak 3325 (7.00, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.509, support = 0.0198, residual support = 0.0198:
          QD    PHE   95 - QD1   ILE  119   6.10 +/- 0.39  67.087% * 23.3518% (0.47   0.02   0.02) =  61.873%  kept
          QE    PHE   72 - QD1   ILE  119   6.97 +/- 0.75  32.498% * 29.0981% (0.59   0.02   0.02) =  37.348%  kept
          HN    ALA   47 - QD1   ILE  119  14.27 +/- 0.54   0.415% * 47.5501% (0.96   0.02   0.02) =   0.780%
    Distance limit 3.41 A violated in 20 structures by 2.29 A, eliminated.
    Peak unassigned.
 
    Peak 3326 (7.23, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.449, support = 0.02, residual support = 15.5:
          HN    PHE   59 - QD1   ILE  119   4.51 +/- 0.34  90.169% * 15.6192% (0.33   0.02  17.84) =  77.721%  kept
          HN    HIS  122 - QD1   ILE  119   6.58 +/- 0.40   9.826% * 41.0656% (0.87   0.02   7.18) =  22.267%  kept
          HH2   TRP   87 - QD1   ILE  119  23.46 +/- 0.59   0.005% * 43.3152% (0.91   0.02   0.02) =   0.012%
    Distance limit 3.55 A violated in 19 structures by 0.88 A, eliminated.
    Peak unassigned.
 
    Peak 3327 (7.92, 1.02, 16.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.95, residual support = 246.7:
          HN    ILE  119 - QD1   ILE  119   3.72 +/- 0.27  99.971% * 99.2792% (0.95   6.95 246.70) = 100.000%  kept
          HN    CYS   21 - QD1   ILE  119  15.97 +/- 0.77   0.018% *  0.2436% (0.81   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE  119  20.27 +/- 0.88   0.004% *  0.1886% (0.62   0.02   0.02) =   0.000%
          HN    ILE   89 - QD1   ILE  119  21.38 +/- 0.52   0.003% *  0.2436% (0.81   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE  119  20.40 +/- 0.81   0.004% *  0.0450% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3328 (0.88, 3.95, 55.35 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.45, residual support = 31.0:
        T QD1   LEU  123 - HA    ALA  120   2.69 +/- 0.43  99.857% * 97.1228% (0.45   5.45  30.96) =  99.999%  kept
          HB3   LEU   63 - HA    ALA  120   9.68 +/- 0.71   0.070% *  0.7796% (0.98   0.02   0.02) =   0.001%
          QG1   VAL   70 - HA    ALA  120  10.44 +/- 0.44   0.042% *  0.5463% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    ALA  120  11.58 +/- 0.45   0.021% *  0.1393% (0.18   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    ALA  120  15.40 +/- 0.59   0.004% *  0.6369% (0.80   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    ALA  120  15.52 +/- 0.46   0.004% *  0.4185% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    ALA  120  17.75 +/- 0.69   0.002% *  0.3566% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3329 (7.45, 3.95, 55.35 ppm):
    4 chemical-shift based assignments, quality = 0.785, support = 5.09, residual support = 21.9:
          HN    LEU  123 - HA    ALA  120   2.85 +/- 0.25  39.630% * 51.3905% (0.80   5.78  30.96) =  66.032%  kept
          HN    ALA  124 - HA    ALA  120   3.23 +/- 0.13  18.192% * 41.4091% (0.98   3.80   1.23) =  24.425%  kept
      O   HN    ALA  120 - HA    ALA  120   2.80 +/- 0.03  42.178% *  6.9782% (0.18   3.59  11.84) =   9.543%  kept
          HE21  GLN   17 - HA    ALA  120  21.99 +/- 1.13   0.000% *  0.2221% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3331 (7.49, 3.94, 58.66 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 6.38, residual support = 314.7:
      O   HN    LYS+ 121 - HA    LYS+ 121   2.72 +/- 0.03  99.997% * 99.2821% (0.45   6.38 314.74) = 100.000%  kept
          HN    LYS+ 121 - HA    LYS+  65  15.26 +/- 0.36   0.003% *  0.0195% (0.03   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HA    LYS+ 121  29.11 +/- 0.72   0.000% *  0.6571% (0.95   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HA    LYS+  65  26.92 +/- 0.45   0.000% *  0.0412% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.847, support = 2.88, residual support = 9.64:
          HA    THR  118 - HB2   LYS+ 121   2.28 +/- 0.58  97.876% * 46.5235% (0.87   2.95   9.88) =  97.611%  kept
          HA    ILE  119 - HB2   LYS+ 121   4.78 +/- 0.20   2.121% * 52.5558% (0.97   2.99   0.71) =   2.389%
          HA2   GLY  109 - HB2   LYS+ 121  15.33 +/- 0.46   0.002% *  0.2059% (0.57   0.02   0.02) =   0.000%
          HA    VAL   75 - HB2   LYS+ 121  20.58 +/- 0.36   0.000% *  0.1011% (0.28   0.02   0.02) =   0.000%
          HA    ALA   84 - HB2   LYS+ 121  25.28 +/- 0.27   0.000% *  0.2779% (0.76   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB2   LYS+ 121  27.84 +/- 0.44   0.000% *  0.3357% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3333 (3.69, 1.52, 32.89 ppm):
    6 chemical-shift based assignments, quality = 0.729, support = 2.86, residual support = 9.39:
        T HA    THR  118 - HB3   LYS+ 121   3.03 +/- 0.62  95.270% * 46.7071% (0.72   2.86   9.88) =  94.739%  kept
          HA    ILE  119 - HB3   LYS+ 121   5.22 +/- 0.22   4.721% * 52.3403% (0.81   2.88   0.71) =   5.261%  kept
          HA2   GLY  109 - HB3   LYS+ 121  15.76 +/- 0.34   0.007% *  0.2130% (0.47   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   LYS+ 121  20.43 +/- 0.44   0.002% *  0.1046% (0.23   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   LYS+ 121  25.21 +/- 0.34   0.000% *  0.2876% (0.64   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB3   LYS+ 121  28.15 +/- 0.44   0.000% *  0.3474% (0.77   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3334 (7.51, 1.52, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.749, support = 6.37, residual support = 314.7:
      O   HN    LYS+ 121 - HB3   LYS+ 121   2.92 +/- 0.51 100.000% * 99.8688% (0.75   6.37 314.74) = 100.000%  kept
          HZ2   TRP   49 - HB3   LYS+ 121  26.61 +/- 0.76   0.000% *  0.1312% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3335 (7.23, 1.52, 32.89 ppm):
    3 chemical-shift based assignments, quality = 0.749, support = 6.56, residual support = 49.3:
          HN    HIS  122 - HB3   LYS+ 121   3.11 +/- 0.57  99.971% * 99.5641% (0.75   6.56  49.33) = 100.000%  kept
          HN    PHE   59 - HB3   LYS+ 121  13.00 +/- 0.31   0.028% *  0.1155% (0.28   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   LYS+ 121  25.17 +/- 0.91   0.000% *  0.3204% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3336 (7.21, 1.66, 32.89 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 7.24, residual support = 49.3:
          HN    HIS  122 - HB2   LYS+ 121   3.27 +/- 0.37  99.372% * 99.2203% (0.41   7.24  49.33) =  99.999%  kept
          QD    PHE   59 - HB2   LYS+ 121   7.87 +/- 0.28   0.627% *  0.2275% (0.34   0.02   0.02) =   0.001%
          HD1   TRP   27 - HB2   LYS+ 121  23.65 +/- 0.52   0.001% *  0.2275% (0.34   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   LYS+ 121  25.46 +/- 0.84   0.001% *  0.3247% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3337 (7.50, 1.66, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 6.63, residual support = 314.7:
      O   HN    LYS+ 121 - HB2   LYS+ 121   2.27 +/- 0.45 100.000% * 99.7173% (0.92   6.63 314.74) = 100.000%  kept
          HZ2   TRP   49 - HB2   LYS+ 121  26.39 +/- 0.73   0.000% *  0.2827% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.415, support = 0.767, residual support = 1.57:
          QD2   LEU   67 - HB2   HIS  122   3.52 +/- 2.04  79.450% * 32.4907% (0.41   0.75   1.31) =  95.228%  kept
          QG2   ILE  119 - HB2   HIS  122   5.92 +/- 0.39   1.846% * 65.8478% (0.53   1.19   7.18) =   4.484%  kept
          QD1   LEU   40 - HB2   HIS  122   4.68 +/- 0.60  18.659% *  0.4171% (0.20   0.02   0.02) =   0.287%
          QD2   LEU   71 - HB2   HIS  122  11.96 +/- 0.35   0.028% *  0.5255% (0.25   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   HIS  122  13.17 +/- 0.61   0.018% *  0.7189% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 3 structures by 0.31 A, kept.
 
    Peak 3341 (0.61, 3.45, 31.73 ppm):
    7 chemical-shift based assignments, quality = 0.572, support = 0.0199, residual support = 0.0199:
          QD1   LEU  104 - HB2   HIS  122   6.19 +/- 0.58  45.200% * 20.0916% (0.69   0.02   0.02) =  76.491%  kept
          QD1   LEU   63 - HB2   HIS  122   6.06 +/- 0.61  50.314% *  4.5130% (0.15   0.02   0.02) =  19.125%  kept
          QD2   LEU  115 - HB2   HIS  122   9.23 +/- 0.39   4.021% * 12.0248% (0.41   0.02   0.02) =   4.072%  kept
          QD1   LEU   73 - HB2   HIS  122  13.79 +/- 0.51   0.356% *  4.5130% (0.15   0.02   0.02) =   0.135%
          QG1   VAL   83 - HB2   HIS  122  20.54 +/- 0.62   0.033% * 29.1845% (1.00   0.02   0.02) =   0.080%
          QG2   ILE   89 - HB2   HIS  122  19.93 +/- 0.51   0.039% * 16.5597% (0.57   0.02   0.02) =   0.054%
          QD2   LEU   80 - HB2   HIS  122  19.95 +/- 0.51   0.038% * 13.1134% (0.45   0.02   0.02) =   0.042%
    Distance limit 4.14 A violated in 20 structures by 1.19 A, eliminated.
    Peak unassigned.
 
    Peak 3342 (6.83, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.7, residual support = 71.8:
      O   HD2   HIS  122 - HB2   HIS  122   3.94 +/- 0.03  99.859% * 99.0442% (1.00   3.70  71.82) =  99.999%  kept
          HE22  GLN  116 - HB2   HIS  122  12.38 +/- 0.71   0.110% *  0.5345% (1.00   0.02   0.02) =   0.001%
          QD    PHE   45 - HB2   HIS  122  15.89 +/- 0.44   0.024% *  0.2011% (0.38   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   HIS  122  19.71 +/- 0.92   0.007% *  0.2202% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 5.76, residual support = 71.8:
      O   HN    HIS  122 - HB2   HIS  122   3.59 +/- 0.07  99.470% * 99.0219% (0.41   5.76  71.82) =  99.998%  kept
          QD    PHE   59 - HB2   HIS  122   8.75 +/- 0.53   0.528% *  0.2854% (0.34   0.02   0.02) =   0.002%
          HD1   TRP   27 - HB2   HIS  122  22.68 +/- 0.58   0.002% *  0.2854% (0.34   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   HIS  122  27.20 +/- 0.66   0.001% *  0.4073% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 3.79, residual support = 71.8:
      O   HD2   HIS  122 - HB3   HIS  122   2.88 +/- 0.06  99.958% * 99.0670% (1.00   3.79  71.82) = 100.000%  kept
          HE22  GLN  116 - HB3   HIS  122  11.20 +/- 1.39   0.036% *  0.5218% (1.00   0.02   0.02) =   0.000%
          QD    PHE   45 - HB3   HIS  122  15.27 +/- 0.65   0.005% *  0.1963% (0.38   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   HIS  122  19.91 +/- 0.79   0.001% *  0.2150% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3345 (7.23, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 5.92, residual support = 71.8:
      O   HN    HIS  122 - HB3   HIS  122   2.56 +/- 0.16  99.991% * 99.5178% (0.90   5.92  71.82) = 100.000%  kept
          HN    PHE   59 - HB3   HIS  122  12.16 +/- 0.78   0.009% *  0.1278% (0.34   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   HIS  122  26.82 +/- 1.24   0.000% *  0.3544% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3346 (0.94, 2.76, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.445, support = 0.747, residual support = 3.12:
          QD2   LEU   67 - HB3   HIS  122   4.39 +/- 2.02  56.368% * 42.9021% (0.41   0.75   1.31) =  68.694%  kept
          QG2   ILE  119 - HB3   HIS  122   4.98 +/- 1.11  19.834% * 54.9040% (0.53   0.75   7.18) =  30.933%  kept
        T QD1   LEU   40 - HB3   HIS  122   5.15 +/- 1.04  23.715% *  0.5507% (0.20   0.02   0.02) =   0.371%
          QD1   ILE  103 - HB3   HIS  122  12.92 +/- 1.11   0.041% *  0.9492% (0.34   0.02   0.02) =   0.001%
          QD2   LEU   71 - HB3   HIS  122  12.51 +/- 0.51   0.042% *  0.6939% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.64 A violated in 6 structures by 0.27 A, kept.
 
    Peak 3347 (3.95, 1.85, 26.16 ppm):
    10 chemical-shift based assignments, quality = 0.681, support = 3.27, residual support = 31.0:
          HA    ALA  120 - HG    LEU  123   2.51 +/- 0.82  99.141% * 96.3503% (0.68   3.27  30.96) =  99.996%  kept
          HA    LYS+ 121 - HG    LEU  123   6.72 +/- 0.34   0.735% *  0.4080% (0.47   0.02   2.34) =   0.003%
          HA    LYS+  65 - HG    LEU  123  12.28 +/- 0.59   0.039% *  0.4961% (0.57   0.02   0.02) =   0.000%
          QB    SER  117 - HG    LEU  123   9.35 +/- 0.72   0.075% *  0.2026% (0.23   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG    LEU  123  16.49 +/- 0.69   0.007% *  0.5327% (0.62   0.02   0.02) =   0.000%
          HB    THR   94 - HG    LEU  123  19.67 +/- 0.48   0.002% *  0.4539% (0.52   0.02   0.02) =   0.000%
          QB    SER   48 - HG    LEU  123  25.40 +/- 1.03   0.000% *  0.5152% (0.60   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG    LEU  123  25.32 +/- 0.66   0.000% *  0.3603% (0.42   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG    LEU  123  24.76 +/- 0.78   0.000% *  0.1481% (0.17   0.02   0.02) =   0.000%
          QB    SER   85 - HG    LEU  123  31.37 +/- 0.41   0.000% *  0.5327% (0.62   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3348 (7.48, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.361, support = 5.92, residual support = 197.2:
          HN    LEU  123 - HG    LEU  123   3.39 +/- 0.13  99.997% * 99.5624% (0.36   5.92 197.19) = 100.000%  kept
          HE21  GLN   17 - HG    LEU  123  20.38 +/- 1.10   0.002% *  0.1265% (0.14   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HG    LEU  123  30.04 +/- 0.76   0.000% *  0.3111% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3349 (3.95, 1.63, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.44, residual support = 31.0:
          HA    ALA  120 - HB3   LEU  123   3.48 +/- 0.16  98.103% * 96.5246% (0.99   3.44  30.96) =  99.992%  kept
          HA    LYS+ 121 - HB3   LEU  123   6.83 +/- 0.28   1.717% *  0.3885% (0.69   0.02   2.34) =   0.007%
          QB    SER  117 - HB3   LEU  123  10.31 +/- 0.22   0.147% *  0.1929% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   LEU  123  14.04 +/- 0.64   0.025% *  0.4724% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LEU  123  18.02 +/- 0.65   0.005% *  0.5073% (0.90   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LEU  123  21.74 +/- 0.35   0.002% *  0.4323% (0.76   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LEU  123  27.62 +/- 0.91   0.000% *  0.4906% (0.87   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LEU  123  27.83 +/- 0.46   0.000% *  0.3431% (0.61   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LEU  123  33.25 +/- 0.39   0.000% *  0.5073% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   LEU  123  27.22 +/- 0.77   0.000% *  0.1410% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3350 (7.46, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 0.736, support = 4.94, residual support = 89.9:
          HN    ALA  124 - HB3   LEU  123   2.87 +/- 0.24  78.976% * 27.6151% (0.57   4.09  15.21) =  58.955%  kept
      O   HN    LEU  123 - HB3   LEU  123   3.59 +/- 0.07  21.024% * 72.2209% (0.98   6.17 197.19) =  41.045%  kept
          HE21  GLN   17 - HB3   LEU  123  22.31 +/- 1.19   0.000% *  0.1640% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 3.62, residual support = 31.0:
          HA    ALA  120 - HB2   LEU  123   1.92 +/- 0.08  99.765% * 96.6855% (0.99   3.62  30.96) =  99.999%  kept
        T HA    LYS+ 121 - HB2   LEU  123   5.33 +/- 0.25   0.224% *  0.3705% (0.69   0.02   2.34) =   0.001%
          QB    SER  117 - HB2   LEU  123   8.82 +/- 0.20   0.011% *  0.1840% (0.34   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   LEU  123  14.24 +/- 0.48   0.001% *  0.4506% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU  123  18.32 +/- 0.54   0.000% *  0.4838% (0.90   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU  123  20.26 +/- 0.38   0.000% *  0.4122% (0.76   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU  123  26.72 +/- 0.77   0.000% *  0.4679% (0.87   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU  123  26.73 +/- 0.43   0.000% *  0.3272% (0.61   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   LEU  123  25.95 +/- 0.80   0.000% *  0.1345% (0.25   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU  123  32.13 +/- 0.42   0.000% *  0.4838% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 0.768, support = 5.43, residual support = 103.7:
          HN    ALA  124 - HB2   LEU  123   2.06 +/- 0.10  71.600% * 29.4651% (0.57   4.58  15.21) =  51.351%  kept
      O   HN    LEU  123 - HB2   LEU  123   2.41 +/- 0.10  28.399% * 70.3789% (0.98   6.33 197.19) =  48.649%  kept
          HE21  GLN   17 - HB2   LEU  123  22.30 +/- 1.05   0.000% *  0.1560% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3353 (3.97, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.566, support = 5.45, residual support = 31.0:
        T HA    ALA  120 - QD1   LEU  123   2.69 +/- 0.43  97.504% * 96.3464% (0.57   5.45  30.96) =  99.996%  kept
          HA    LYS+ 121 - QD1   LEU  123   5.30 +/- 0.15   2.390% *  0.1237% (0.20   0.02   2.34) =   0.003%
          HA    LYS+  65 - QD1   LEU  123   9.28 +/- 0.47   0.086% *  0.5911% (0.95   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD1   LEU  123  12.72 +/- 0.59   0.013% *  0.5604% (0.90   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  123  15.70 +/- 0.28   0.003% *  0.1558% (0.25   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD1   LEU  123  20.42 +/- 0.79   0.001% *  0.4775% (0.76   0.02   0.02) =   0.000%
          HA    GLN   32 - QD1   LEU  123  20.49 +/- 0.88   0.001% *  0.3537% (0.57   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  123  20.54 +/- 0.75   0.001% *  0.2131% (0.34   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  123  25.28 +/- 0.35   0.000% *  0.5604% (0.90   0.02   0.02) =   0.000%
        T HA    SER   48 - QD1   LEU  123  21.42 +/- 0.80   0.001% *  0.1928% (0.31   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  123  20.85 +/- 0.50   0.001% *  0.0964% (0.15   0.02   0.02) =   0.000%
          HA    ALA   88 - QD1   LEU  123  26.99 +/- 0.42   0.000% *  0.3287% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.609, support = 2.11, residual support = 10.4:
      O   HN    ALA  124 - QB    ALA  124   2.39 +/- 0.32  95.279% * 30.0355% (0.57   2.03   9.82) =  89.700%  kept
          HN    LEU  123 - QB    ALA  124   4.31 +/- 0.36   4.721% * 69.6062% (0.98   2.72  15.21) =  10.300%  kept
          HE21  GLN   17 - QB    ALA  124  21.82 +/- 0.91   0.000% *  0.3583% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.975, support = 1.94, residual support = 9.99:
      O   HN    ALA  124 - HA    ALA  124   2.67 +/- 0.27  97.142% * 46.1819% (0.98   1.91   9.82) =  96.887%  kept
          HN    LEU  123 - HA    ALA  124   4.98 +/- 0.24   2.716% * 53.0712% (0.80   2.69  15.21) =   3.113%  kept
          HN    ALA  120 - HA    ALA  124   7.98 +/- 0.56   0.138% *  0.0862% (0.18   0.02   1.23) =   0.000%
          HE21  GLN   17 - HA    ALA   34  16.64 +/- 1.75   0.002% *  0.0570% (0.12   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA  124  25.75 +/- 1.18   0.000% *  0.4922% (1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HA    ALA   34  19.07 +/- 0.67   0.001% *  0.0456% (0.09   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   34  21.54 +/- 0.63   0.000% *  0.0559% (0.11   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   34  21.67 +/- 0.52   0.000% *  0.0100% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 0.836, support = 5.96, residual support = 161.7:
      O   HN    LEU  123 - HA    LEU  123   2.90 +/- 0.02  78.510% * 52.4695% (0.80   6.28 197.19) =  80.480%  kept
      O   HN    ALA  124 - HA    LEU  123   3.61 +/- 0.02  21.130% * 47.2853% (0.98   4.62  15.21) =  19.520%  kept
          HN    ALA  120 - HA    LEU  123   7.12 +/- 0.06   0.360% *  0.0365% (0.18   0.02  30.96) =   0.000%
          HE21  GLN   17 - HA    LEU  123  21.19 +/- 1.14   0.001% *  0.2087% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3357 (9.01, 4.38, 55.67 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HN    VAL   41 - HA    LEU  123  14.96 +/- 0.82 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 3.33 A violated in 20 structures by 11.63 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   2.22 +/- 0.06  99.999% * 99.1184% (0.69   5.97  22.42) = 100.000%  kept
          HN    GLN   90 - HA    LYS+ 102  23.17 +/- 0.99   0.000% *  0.4190% (0.87   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LYS+ 102  23.29 +/- 1.11   0.000% *  0.3318% (0.69   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    LYS+ 102  18.05 +/- 0.46   0.000% *  0.0654% (0.14   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    LYS+ 102  22.04 +/- 1.16   0.000% *  0.0654% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 14.3:
      O   HN    PHE   95 - HA    THR   94   2.28 +/- 0.01 100.000% *100.0000% (0.73   3.16  14.26) = 100.000%  kept
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3360 (8.08, 1.41, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.5, residual support = 82.9:
      O   HN    LEU   80 - HB2   LEU   80   3.58 +/- 0.14  99.952% * 99.3297% (1.00   6.50  82.86) = 100.000%  kept
          HN    ALA   34 - HB2   LEU   80  16.35 +/- 0.40   0.012% *  0.2955% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   LEU   80  16.73 +/- 0.73   0.010% *  0.2897% (0.95   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   LEU   80  14.33 +/- 0.38   0.026% *  0.0851% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3361 (8.08, 1.34, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.32, residual support = 82.9:
      O   HN    LEU   80 - HB3   LEU   80   2.67 +/- 0.22  99.990% * 99.3110% (1.00   6.32  82.86) = 100.000%  kept
          HN    ALA   34 - HB3   LEU   80  15.82 +/- 0.34   0.002% *  0.3037% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   LEU   80  16.51 +/- 0.66   0.002% *  0.2977% (0.95   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   LEU   80  13.93 +/- 0.40   0.005% *  0.0875% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3362 (4.81, 1.34, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.99, residual support = 82.8:
      O   HA    LEU   80 - HB3   LEU   80   2.71 +/- 0.16  94.512% * 98.7691% (0.98   4.99  82.86) =  99.979%  kept
          HA    THR   23 - HB3   LEU   80   4.60 +/- 0.76   4.969% *  0.3623% (0.90   0.02   4.93) =   0.019%
          HB    THR   23 - HB3   LEU   80   7.16 +/- 0.74   0.295% *  0.3623% (0.90   0.02   4.93) =   0.001%
          HA    ASP-  78 - HB3   LEU   80   7.78 +/- 0.42   0.224% *  0.2450% (0.61   0.02   0.64) =   0.001%
          HA    ASP- 105 - HB3   LEU   80  21.59 +/- 0.71   0.000% *  0.2613% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.533, support = 3.85, residual support = 82.9:
      O   QD2   LEU   80 - HB3   LEU   80   2.25 +/- 0.43  79.433% * 73.6025% (0.57   3.75  82.86) =  92.336%  kept
      O   QD1   LEU   80 - HB3   LEU   80   2.97 +/- 0.14  20.526% * 23.6413% (0.14   5.04  82.86) =   7.664%  kept
        T QD1   LEU   73 - HB3   LEU   80   8.43 +/- 0.31   0.029% *  0.6394% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   80  11.20 +/- 0.33   0.006% *  0.1727% (0.25   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HB3   LEU   80  15.76 +/- 0.51   0.001% *  0.6394% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   80  12.18 +/- 0.69   0.004% *  0.0937% (0.14   0.02   0.02) =   0.000%
        T QD2   LEU   63 - HB3   LEU   80  17.90 +/- 0.53   0.000% *  0.5546% (0.80   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   80  18.90 +/- 0.59   0.000% *  0.4201% (0.61   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   80  19.06 +/- 0.47   0.000% *  0.2363% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 0.632, support = 4.76, residual support = 80.3:
      O   HA    LEU   80 - HG    LEU   80   3.45 +/- 0.36  83.530% * 81.8347% (0.63   4.88  82.86) =  96.766%  kept
          HA    THR   23 - HG    LEU   80   5.06 +/- 1.09  14.828% * 15.3795% (0.58   1.00   4.93) =   3.228%  kept
          HB    THR   23 - HG    LEU   80   7.27 +/- 0.99   0.966% *  0.3066% (0.58   0.02   4.93) =   0.004%
          HA    ASP-  78 - HG    LEU   80   9.40 +/- 0.30   0.262% *  0.2073% (0.39   0.02   0.64) =   0.001%
          HA    ASP- 105 - HG    LEU   40   9.87 +/- 0.52   0.197% *  0.1664% (0.31   0.02   0.02) =   0.000%
          HA    THR   23 - HG    LEU   73  12.70 +/- 0.21   0.041% *  0.1217% (0.23   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   73  13.18 +/- 0.25   0.033% *  0.1217% (0.23   0.02   0.02) =   0.000%
          HB    THR   23 - HG12  ILE   19  13.00 +/- 0.42   0.037% *  0.1043% (0.20   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   73  13.76 +/- 0.44   0.027% *  0.1330% (0.25   0.02   0.02) =   0.000%
          HA    THR   23 - HG12  ILE   19  13.31 +/- 0.34   0.031% *  0.1043% (0.20   0.02   0.02) =   0.000%
          HA    LEU   80 - HG12  ILE   19  15.51 +/- 0.38   0.013% *  0.1140% (0.22   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   73  15.14 +/- 0.60   0.015% *  0.0878% (0.17   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   80  21.06 +/- 1.29   0.002% *  0.2211% (0.42   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   73  17.42 +/- 0.16   0.006% *  0.0823% (0.16   0.02   0.02) =   0.000%
          HA    THR   23 - HG    LEU   40  20.97 +/- 1.07   0.002% *  0.2307% (0.44   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   40  21.52 +/- 1.08   0.002% *  0.2521% (0.48   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   40  21.53 +/- 1.15   0.002% *  0.2307% (0.44   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG12  ILE   19  19.26 +/- 0.36   0.003% *  0.0706% (0.13   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG12  ILE   19  20.95 +/- 0.28   0.002% *  0.0753% (0.14   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   40  23.97 +/- 0.93   0.001% *  0.1560% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.211, support = 5.16, residual support = 136.9:
          HN    LEU   73 - HG    LEU   73   3.04 +/- 0.17  56.124% * 42.4330% (0.20   5.69 162.74) =  78.567%  kept
          HN    VAL   42 - HG    LEU   40   4.42 +/- 1.21  12.241% * 33.1264% (0.37   2.34   1.85) =  13.378%  kept
          HN    ILE   19 - HG12  ILE   19   3.67 +/- 0.36  19.654% *  7.9169% (0.03   6.14 170.43) =   5.133%  kept
          HN    VAL   42 - HG    LEU   73   4.41 +/- 0.36   6.286% * 14.0493% (0.20   1.88   3.07) =   2.913%  kept
          HN    ILE   19 - HG    LEU   73   4.96 +/- 0.59   5.053% *  0.0301% (0.04   0.02   5.23) =   0.005%
          HN    LEU   73 - HG    LEU   40   8.24 +/- 1.16   0.182% *  0.2826% (0.37   0.02   0.02) =   0.002%
          HN    LEU   73 - HG12  ILE   19   7.34 +/- 0.21   0.298% *  0.1278% (0.17   0.02   5.23) =   0.001%
          HN    LYS+ 106 - HG    LEU   40  10.82 +/- 0.48   0.029% *  0.3089% (0.41   0.02   0.02) =   0.000%
          HN    VAL   42 - HG12  ILE   19   9.34 +/- 0.34   0.071% *  0.1278% (0.17   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  12.41 +/- 1.08   0.015% *  0.3756% (0.49   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  10.94 +/- 1.18   0.030% *  0.0571% (0.08   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  15.00 +/- 1.00   0.004% *  0.3756% (0.49   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  13.64 +/- 1.03   0.008% *  0.0758% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  15.09 +/- 0.55   0.004% *  0.1629% (0.21   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  20.27 +/- 1.30   0.001% *  0.4105% (0.54   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  20.80 +/- 0.25   0.001% *  0.1397% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.759, support = 5.75, residual support = 165.1:
      O T HA    LYS+  99 - HB3   LYS+  99   2.74 +/- 0.25  82.043% * 80.8835% (0.76   5.95 172.32) =  95.506%  kept
          HA    LEU   40 - HB3   LYS+  99   3.64 +/- 0.61  17.861% * 17.4813% (0.65   1.52  12.46) =   4.494%  kept
          HA    ASN   35 - HB3   LYS+  99   9.21 +/- 0.69   0.087% *  0.3192% (0.90   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LYS+  99  13.36 +/- 0.96   0.007% *  0.3489% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LYS+  99  18.11 +/- 1.40   0.001% *  0.1596% (0.45   0.02   0.02) =   0.000%
        T HA    ILE   56 - HB3   LYS+  99  20.37 +/- 0.73   0.001% *  0.3285% (0.92   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LYS+  99  21.05 +/- 0.93   0.000% *  0.1732% (0.49   0.02   0.02) =   0.000%
        T HA    ASP- 113 - HB3   LYS+  99  22.39 +/- 0.54   0.000% *  0.1463% (0.41   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LYS+  99  23.77 +/- 1.86   0.000% *  0.1596% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 3.79, residual support = 172.3:
      O   HN    LYS+  99 - HB3   LYS+  99   3.18 +/- 0.13  98.940% * 97.3162% (0.31   3.79 172.32) =  99.995%  kept
          HE1   HIS  122 - HB3   LYS+  99   8.73 +/- 2.92   0.989% *  0.4146% (0.25   0.02   0.02) =   0.004%
          HN    ASN   35 - HB3   LYS+  99  10.81 +/- 0.54   0.069% *  1.3887% (0.84   0.02   0.02) =   0.001%
          HN    ALA   12 - HB3   LYS+  99  25.71 +/- 3.08   0.001% *  0.6240% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   LYS+  99  22.54 +/- 1.61   0.001% *  0.2565% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 1.89, residual support = 19.3:
        T QD1   LEU  104 - HB3   LYS+  99   2.14 +/- 0.25  99.998% * 94.8178% (0.41   1.89  19.31) = 100.000%  kept
          QG1   VAL   83 - HB3   LYS+  99  16.95 +/- 0.70   0.000% *  2.1171% (0.87   0.02   0.02) =   0.000%
        T QG2   ILE   89 - HB3   LYS+  99  18.45 +/- 0.73   0.000% *  2.0387% (0.84   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LYS+  99  14.82 +/- 0.84   0.001% *  0.4830% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LYS+  99  16.96 +/- 0.55   0.000% *  0.5434% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3376 (1.00, 1.72, 37.34 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.77, residual support = 12.5:
        T QD2   LEU   40 - HB3   LYS+  99   2.79 +/- 0.80  98.851% * 95.7414% (0.76   1.77  12.46) =  99.989%  kept
          QG2   ILE  103 - HB3   LYS+  99   7.10 +/- 0.10   0.827% *  0.8568% (0.61   0.02   0.02) =   0.007%
          QD1   LEU   67 - HB3   LYS+  99   8.28 +/- 1.52   0.306% *  1.0257% (0.73   0.02   0.02) =   0.003%
          HB    VAL   75 - HB3   LYS+  99  17.08 +/- 0.75   0.004% *  1.3362% (0.95   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LYS+  99  14.37 +/- 0.64   0.011% *  0.3522% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LYS+  99  19.75 +/- 1.23   0.001% *  0.6876% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3377 (1.32, 1.72, 37.34 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.66, residual support = 172.3:
      O   HG2   LYS+  99 - HB3   LYS+  99   2.61 +/- 0.19  99.926% * 98.1165% (0.97   5.66 172.32) = 100.000%  kept
          HG2   LYS+  38 - HB3   LYS+  99   9.60 +/- 0.92   0.047% *  0.3582% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+  99  14.13 +/- 0.85   0.005% *  0.2466% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  99  13.61 +/- 0.96   0.007% *  0.1476% (0.41   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  99  12.77 +/- 1.15   0.009% *  0.0710% (0.20   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  99  14.75 +/- 0.91   0.004% *  0.1108% (0.31   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  99  18.05 +/- 0.64   0.001% *  0.1747% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  99  21.29 +/- 0.55   0.000% *  0.2743% (0.76   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  99  21.84 +/- 0.70   0.000% *  0.1889% (0.53   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  99  24.02 +/- 0.75   0.000% *  0.3114% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 172.3:
      O T HB2   LYS+  99 - HA    LYS+  99   2.84 +/- 0.21  99.966% * 99.2867% (0.99   7.00 172.32) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  99  10.95 +/- 0.38   0.032% *  0.2707% (0.95   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  99  18.81 +/- 0.76   0.001% *  0.1620% (0.57   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    LYS+  99  25.40 +/- 0.63   0.000% *  0.2805% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 0.582, support = 5.23, residual support = 179.0:
      O T QD    LYS+  99 - HG3   LYS+  99   2.40 +/- 0.15  59.740% * 20.4544% (0.34   5.27 172.32) =  45.654%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   2.99 +/- 0.13  16.854% * 58.9280% (0.99   5.23 172.32) =  37.107%  kept
      O T HB    ILE   89 - HG12  ILE   89   2.80 +/- 0.08  23.347% * 19.7625% (0.34   5.13 211.03) =  17.239%  kept
          HB3   LYS+  99 - HG3   LYS+  38   9.73 +/- 0.89   0.017% *  0.0235% (0.10   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  99  12.24 +/- 0.52   0.004% *  0.0702% (0.31   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG3   LYS+  38   8.76 +/- 0.72   0.030% *  0.0081% (0.04   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG12  ILE   89  12.62 +/- 0.65   0.003% *  0.0285% (0.13   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  15.29 +/- 0.27   0.001% *  0.0872% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  99  14.09 +/- 1.39   0.002% *  0.0398% (0.18   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  18.17 +/- 0.72   0.000% *  0.2151% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG12  ILE   89  14.96 +/- 0.70   0.001% *  0.0162% (0.07   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  24.68 +/- 0.85   0.000% *  0.1899% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  23.59 +/- 0.80   0.000% *  0.0914% (0.40   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  38  16.86 +/- 1.14   0.001% *  0.0073% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  38  16.21 +/- 1.27   0.001% *  0.0042% (0.02   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG12  ILE   89  22.85 +/- 0.54   0.000% *  0.0315% (0.14   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  38  23.44 +/- 1.26   0.000% *  0.0224% (0.10   0.02   0.02) =   0.000%
          HB    ILE   89 - HG3   LYS+  38  27.05 +/- 1.24   0.000% *  0.0198% (0.09   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 172.3:
      O T HB2   LYS+  99 - HG3   LYS+  99   2.52 +/- 0.21  99.921% * 98.6804% (0.99   6.44 172.32) = 100.000%  kept
          QD    LYS+  81 - HG12  ILE   89  10.09 +/- 0.69   0.029% *  0.1229% (0.40   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.03 +/- 1.06   0.008% *  0.2924% (0.95   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG3   LYS+  38   9.98 +/- 0.89   0.033% *  0.0320% (0.10   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG12  ILE   89  12.91 +/- 0.66   0.006% *  0.1186% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  99  19.26 +/- 1.36   0.001% *  0.1750% (0.57   0.02   0.02) =   0.000%
          HB    VAL   43 - HG3   LYS+  38  16.68 +/- 1.08   0.001% *  0.0305% (0.10   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  27.45 +/- 1.09   0.000% *  0.3030% (0.98   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  23.55 +/- 0.74   0.000% *  0.1243% (0.40   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  38  21.13 +/- 2.18   0.000% *  0.0183% (0.06   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG12  ILE   89  25.16 +/- 0.70   0.000% *  0.0710% (0.23   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  38  27.98 +/- 1.20   0.000% *  0.0316% (0.10   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3381 (4.01, 2.50, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 115.5:
    * O   HA    GLN  116 - HG3   GLN  116   3.50 +/- 0.08  99.991% * 98.1354% (1.00   5.07 115.52) = 100.000%  kept
          HA    VAL   18 - HG3   GLN  116  20.00 +/- 0.67   0.003% *  0.2657% (0.69   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   GLN  116  21.73 +/- 0.61   0.002% *  0.3868% (1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   GLN  116  21.96 +/- 1.35   0.002% *  0.0964% (0.25   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLN  116  21.28 +/- 0.87   0.002% *  0.0765% (0.20   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG3   GLN  116  30.94 +/- 0.56   0.000% *  0.3355% (0.87   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   GLN  116  29.10 +/- 0.80   0.000% *  0.1883% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG3   GLN  116  32.72 +/- 0.65   0.000% *  0.2808% (0.73   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLN  116  32.52 +/- 0.69   0.000% *  0.2346% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3382 (2.37, 2.50, 34.75 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.21, residual support = 115.5:
      O   HB2   GLN  116 - HG3   GLN  116   2.30 +/- 0.03  99.982% * 98.7659% (0.98   5.21 115.52) = 100.000%  kept
          HB2   PRO   58 - HG3   GLN  116   9.95 +/- 0.82   0.017% *  0.1735% (0.45   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   GLN  116  16.81 +/- 0.22   0.001% *  0.3470% (0.90   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   GLN  116  26.80 +/- 0.46   0.000% *  0.3869% (1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG3   GLN  116  25.17 +/- 0.90   0.000% *  0.2191% (0.57   0.02   0.02) =   0.000%
          QG    GLN   32 - HG3   GLN  116  29.38 +/- 0.76   0.000% *  0.1076% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3383 (0.60, 2.50, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.14, residual support = 95.3:
          QD2   LEU  115 - HG3   GLN  116   3.91 +/- 0.17  98.815% * 98.8250% (0.97   7.14  95.33) =  99.998%  kept
          QD1   LEU   63 - HG3   GLN  116   9.29 +/- 0.54   0.592% *  0.1971% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG3   GLN  116   9.42 +/- 0.79   0.563% *  0.0443% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG3   GLN  116  16.37 +/- 0.36   0.019% *  0.2812% (0.98   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG3   GLN  116  20.12 +/- 0.52   0.006% *  0.1971% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   GLN  116  23.37 +/- 0.50   0.002% *  0.2812% (0.98   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   GLN  116  23.46 +/- 0.76   0.002% *  0.1740% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 2 structures by 0.07 A, kept.
 
    Peak 3384 (2.55, 2.50, 34.75 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 6.0, residual support = 115.5:
      O   HG2   GLN  116 - HG3   GLN  116   1.75 +/- 0.00  99.999% * 99.6125% (0.98   6.00 115.52) = 100.000%  kept
          HB3   PHE   95 - HG3   GLN  116  12.73 +/- 0.31   0.001% *  0.3204% (0.95   0.02   0.02) =   0.000%
        T HG2   GLU-  25 - HG3   GLN  116  35.93 +/- 0.66   0.000% *  0.0670% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3385 (2.50, 2.50, 34.75 ppm):
    1 diagonal assignment:
    *     HG3   GLN  116 - HG3   GLN  116  (1.00)  kept
 
    Peak 3386 (7.40, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 3.81, residual support = 115.5:
      O   HE21  GLN  116 - HG3   GLN  116   3.43 +/- 0.09  99.110% * 98.3517% (0.69   3.81 115.52) =  99.998%  kept
          HN    ALA  120 - HG3   GLN  116   7.75 +/- 0.37   0.805% *  0.2321% (0.31   0.02   0.02) =   0.002%
          HN    ALA   57 - HG3   GLN  116  11.24 +/- 0.61   0.084% *  0.5746% (0.76   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG3   GLN  116  27.45 +/- 1.63   0.000% *  0.7256% (0.97   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG3   GLN  116  31.65 +/- 1.29   0.000% *  0.1160% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3387 (8.19, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 7.17, residual support = 115.5:
          HN    GLN  116 - HG3   GLN  116   3.47 +/- 0.16  96.439% * 98.9317% (0.69   7.17 115.52) =  99.992%  kept
          HN    THR  118 - HG3   GLN  116   7.03 +/- 0.18   1.427% *  0.3709% (0.92   0.02   0.02) =   0.006%
          HN    GLU- 114 - HG3   GLN  116   6.68 +/- 0.44   2.022% *  0.1002% (0.25   0.02   0.50) =   0.002%
          HN    PHE   60 - HG3   GLN  116  10.85 +/- 0.54   0.111% *  0.4018% (1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HG3   GLN  116  26.29 +/- 0.99   0.001% *  0.1956% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3388 (1.33, 1.24, 26.01 ppm):
    39 chemical-shift based assignments, quality = 0.917, support = 6.61, residual support = 176.2:
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.761% * 88.5178% (1.00   6.62 172.32) =  91.006%  kept
      O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.761% *  8.7472% (0.10   6.48 215.13) =   8.993%  kept
          QB    ALA   88 - HG12  ILE   89   4.58 +/- 0.11   0.157% *  0.0746% (0.28   0.02   5.60) =   0.000%
          QB    ALA   84 - HG12  ILE   89   4.26 +/- 0.17   0.249% *  0.0190% (0.07   0.02  14.67) =   0.000%
        T HG2   LYS+  38 - HG3   LYS+  99   8.10 +/- 1.07   0.007% *  0.2586% (0.97   0.02   0.02) =   0.000%
          QG2   THR   77 - HG12  ILE   89   5.82 +/- 0.22   0.038% *  0.0335% (0.13   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   7.73 +/- 1.06   0.012% *  0.0668% (0.25   0.02  15.74) =   0.000%
        T HG2   LYS+  99 - HG3   LYS+  38   7.63 +/- 0.85   0.010% *  0.0279% (0.10   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG12  ILE   89   9.27 +/- 0.78   0.003% *  0.0789% (0.29   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  13.89 +/- 1.34   0.000% *  0.2324% (0.87   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  14.52 +/- 0.89   0.000% *  0.1625% (0.61   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  13.64 +/- 1.18   0.000% *  0.0914% (0.34   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  15.95 +/- 0.93   0.000% *  0.1304% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.17 +/- 0.77   0.000% *  0.0243% (0.09   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG12  ILE   89  15.32 +/- 0.34   0.000% *  0.0529% (0.20   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  11.88 +/- 1.53   0.001% *  0.0070% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG12  ILE   89  17.34 +/- 1.13   0.000% *  0.0943% (0.35   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG12  ILE   89  18.19 +/- 0.74   0.000% *  0.1003% (0.37   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG12  ILE   89  13.74 +/- 0.17   0.000% *  0.0168% (0.06   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.13 +/- 0.75   0.000% *  0.0827% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  22.49 +/- 1.27   0.000% *  0.1946% (0.73   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.34 +/- 0.50   0.000% *  0.2473% (0.92   0.02   0.02) =   0.000%
          HG    LEU   98 - HG12  ILE   89  17.45 +/- 1.36   0.000% *  0.0271% (0.10   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  25.17 +/- 0.75   0.000% *  0.1840% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG12  ILE   89  21.70 +/- 0.40   0.000% *  0.0659% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG12  ILE   89  25.11 +/- 0.85   0.000% *  0.1084% (0.40   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  99  21.90 +/- 0.82   0.000% *  0.0469% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  20.13 +/- 1.72   0.000% *  0.0170% (0.06   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  99  22.01 +/- 0.75   0.000% *  0.0413% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG12  ILE   89  26.76 +/- 1.11   0.000% *  0.1049% (0.39   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  20.73 +/- 1.53   0.000% *  0.0136% (0.05   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  19.69 +/- 1.36   0.000% *  0.0095% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  23.42 +/- 1.06   0.000% *  0.0203% (0.08   0.02   0.02) =   0.000%
          QB    ALA  124 - HG12  ILE   89  26.85 +/- 0.75   0.000% *  0.0371% (0.14   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  21.91 +/- 1.13   0.000% *  0.0086% (0.03   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  27.05 +/- 1.15   0.000% *  0.0192% (0.07   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  29.81 +/- 1.03   0.000% *  0.0258% (0.10   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  38  23.30 +/- 1.00   0.000% *  0.0049% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  38  27.24 +/- 1.38   0.000% *  0.0043% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   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        :   1850
      with multiple volume contributions     :    381
      eliminated by violation filter         :    160
 
    Peaks:
      selected                               :   2700
      without assignment                     :    184
      with assignment                        :   2516
      with unique assignment                 :   2081
      with multiple assignment               :    435
      with reference assignment              :   1605
      with identical reference assignment    :   1296
      with compatible reference assignment   :    288
      with incompatible reference assignment :      9
      with additional reference assignment   :     12
      with additional assignment             :    923
 
    Atoms with eliminated volume contribution > 2.5:
    HA    HIS   22       2.9
    HN    GLN   30       2.5
    QB    LYS+  33       2.7
    QD2   LEU   40       3.9
    QD    PHE   45       5.0
    HD2   PRO   52       3.0
    QG2   ILE   56       4.0
    QD1   ILE   56       4.1
    QD    PHE   59       6.8
    QD    PHE   60       2.7
    HN    LYS+  65       6.0
    HZ    PHE   72       2.5
    HA    LEU   73       3.0
    QG    LYS+  81       2.7
    QB    ALA   84       3.8
    QG2   ILE   89       7.0
    QD1   ILE   89       4.4
    HB    THR   94       3.3
    QG2   THR   94       2.6
    QE    PHE   95       3.2
    HB3   MET   96       2.9
    HA    LYS+ 106       3.0
    QB    LYS+ 106       2.9
    QG1   VAL  107       4.9
    QG2   VAL  107       6.6
    QG2   VAL  108       3.5
    HA    THR  118       5.9
    HA    ILE  119       3.0
    QD1   ILE  119       5.1
 
    Peak 2 (6.75, 6.75, 114.38 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   27 - HZ2   TRP   27  (1.00)  kept
 
    Peak 3 (7.49, 7.49, 115.54 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   49 - HZ2   TRP   49  (1.00)  kept
 
    Peak 4 (7.61, 7.61, 114.70 ppm):
    2 diagonal assignments:
    *     HZ2   TRP   87 - HZ2   TRP   87  (1.00)  kept
          HN    ILE   56 - HN    ILE   56  (0.01)  kept
 
    Peak 5 (7.18, 7.18, 125.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   49 - HH2   TRP   49  (1.00)  kept
 
    Peak 6 (7.23, 7.23, 124.80 ppm):
    1 diagonal assignment:
    *     HH2   TRP   87 - HH2   TRP   87  (1.00)  kept
 
    Peak 7 (7.71, 7.71, 120.66 ppm):
    1 diagonal assignment:
    *     HE3   TRP   87 - HE3   TRP   87  (1.00)  kept
 
    Peak 8 (6.38, 6.38, 129.17 ppm):
    1 diagonal assignment:
    *     HZ    PHE   45 - HZ    PHE   45  (1.00)  kept
 
    Peak 9 (6.69, 6.69, 132.41 ppm):
    1 diagonal assignment:
    *     QD    PHE   72 - QD    PHE   72  (1.00)  kept
 
    Peak 10 (6.68, 6.68, 130.18 ppm):
    1 diagonal assignment:
    *     QE    PHE   45 - QE    PHE   45  (1.00)  kept
 
    Peak 11 (6.71, 6.71, 127.90 ppm):
    1 diagonal assignment:
    *     HZ    PHE   72 - HZ    PHE   72  (1.00)  kept
 
    Peak 12 (6.88, 6.88, 128.47 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 13 (7.26, 7.26, 128.86 ppm):
    1 diagonal assignment:
    *     QE    PHE   59 - QE    PHE   59  (1.00)  kept
 
    Peak 14 (7.75, 7.75, 128.42 ppm):
    1 diagonal assignment:
    *     HD1   TRP   87 - HD1   TRP   87  (1.00)  kept
 
    Peak 15 (7.19, 7.19, 127.61 ppm):
    1 diagonal assignment:
    *     HD1   TRP   27 - HD1   TRP   27  (1.00)  kept
 
    Peak 16 (7.35, 7.35, 128.88 ppm):
    1 diagonal assignment:
    *     HD1   TRP   49 - HD1   TRP   49  (1.00)  kept
 
    Peak 17 (7.63, 7.63, 131.92 ppm):
    1 diagonal assignment:
    *     QE    PHE   60 - QE    PHE   60  (1.00)  kept
 
    Peak 18 (7.02, 7.02, 132.19 ppm):
    1 diagonal assignment:
    *     QD    PHE   95 - QD    PHE   95  (1.00)  kept
 
    Peak 19 (6.86, 6.86, 131.77 ppm):
    1 diagonal assignment:
    *     QD    PHE   45 - QD    PHE   45  (1.00)  kept
 
    Peak 20 (6.85, 6.85, 130.68 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 21 (6.99, 6.99, 130.46 ppm):
    1 diagonal assignment:
    *     QE    PHE   72 - QE    PHE   72  (1.00)  kept
 
    Peak 22 (8.33, 8.33, 138.33 ppm):
    1 diagonal assignment:
    *     HE1   HIS  122 - HE1   HIS  122  (1.00)  kept
 
    Peak 23 (8.58, 8.58, 136.90 ppm):
    1 diagonal assignment:
    *     HE1   HIS   22 - HE1   HIS   22  (1.00)  kept
 
    Peak 24 (6.83, 6.83, 120.22 ppm):
    1 diagonal assignment:
    *     HD2   HIS  122 - HD2   HIS  122  (1.00)  kept
 
    Peak 25 (7.11, 7.11, 121.95 ppm):
    1 diagonal assignment:
    *     HE3   TRP   49 - HE3   TRP   49  (1.00)  kept
 
    Peak 26 (7.36, 7.36, 120.68 ppm):
    1 diagonal assignment:
    *     HD2   HIS   22 - HD2   HIS   22  (1.00)  kept
 
    Peak 27 (7.12, 7.12, 119.95 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 28 (7.17, 7.17, 120.01 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 29 (7.31, 7.32, 120.14 ppm):
    1 diagonal assignment:
    *     HE3   TRP   27 - HE3   TRP   27  (0.76)  kept
 
    Peak 30 (7.13, 7.13, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   97 - QD    PHE   97  (1.00)  kept
 
    Peak 31 (7.32, 7.32, 132.31 ppm):
    1 diagonal assignment:
    *     QD    PHE   55 - QD    PHE   55  (1.00)  kept
 
    Peak 32 (7.29, 7.29, 132.36 ppm):
    1 diagonal assignment:
    *     QD    PHE   60 - QD    PHE   60  (1.00)  kept
 
    Peak 33 (7.33, 7.33, 130.29 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 34 (7.39, 7.39, 131.00 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 35 (7.38, 7.41, 131.81 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 36 (6.31, 6.31, 122.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   27 - HH2   TRP   27  (1.00)  kept
 
    Peak 37 (3.92, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.93, residual support = 69.8:
        T HA    PHE   60 - QD    PHE   60   2.35 +/- 0.48  99.898% * 98.1740% (0.87   3.93  69.81) = 100.000%  kept
          HB    THR   94 - QD    PHE   60   9.01 +/- 0.44   0.064% *  0.2804% (0.49   0.02   0.02) =   0.000%
        T QB    SER  117 - QD    PHE   60  11.73 +/- 0.44   0.012% *  0.5166% (0.90   0.02   0.02) =   0.000%
        T QB    SER   48 - QD    PHE   60  11.82 +/- 0.96   0.009% *  0.2162% (0.38   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   60  13.03 +/- 0.38   0.006% *  0.3261% (0.57   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    PHE   60  13.54 +/- 0.40   0.004% *  0.3727% (0.65   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   60  12.44 +/- 0.35   0.007% *  0.1140% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.24 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 = 69.8:
      O   HE3   TRP   87 - HZ3   TRP   87   2.49 +/- 0.00  99.750% * 92.9101% (0.69   1.00  69.76) =  99.996%  kept
          HN    TRP   87 - HZ3   TRP   87   6.78 +/- 0.08   0.246% *  1.6408% (0.61   0.02  69.76) =   0.004%
          HN    ALA   91 - HZ3   TRP   87  14.04 +/- 0.49   0.003% *  0.8349% (0.31   0.02   0.02) =   0.000%
          HN    GLN   17 - HZ3   TRP   87  29.06 +/- 0.71   0.000% *  2.0674% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HZ3   TRP   87  26.51 +/- 0.34   0.000% *  1.0153% (0.38   0.02   0.02) =   0.000%
          HD21  ASN   69 - HZ3   TRP   87  30.45 +/- 1.54   0.000% *  1.5315% (0.57   0.02   0.02) =   0.000%
    Distance limit 5.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 45 (7.33, 7.33, 131.79 ppm):
    1 diagonal assignment:
    *     QE    PHE   95 - QE    PHE   95  (1.00)  kept
 
    Peak 46 (4.73, 8.58, 136.90 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HE1   HIS   22  19.76 +/- 1.43 100.000% *100.0000% (0.98   0.02   0.02) = 100.000%  kept
    Distance limit 5.50 A violated in 20 structures by 14.26 A, eliminated.
    Peak unassigned.
 
    Peak 47 (1.15, 8.58, 136.90 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.04, residual support = 5.34:
          QB    ALA   20 - HE1   HIS   22   3.48 +/- 0.06  99.986% * 92.9574% (0.76   1.04   5.34) = 100.000%  kept
          QG2   VAL  107 - HE1   HIS   22  17.62 +/- 0.65   0.006% *  2.2227% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   31 - HE1   HIS   22  18.00 +/- 0.31   0.005% *  0.5859% (0.25   0.02   0.02) =   0.000%
          HG13  ILE  103 - HE1   HIS   22  22.65 +/- 0.70   0.001% *  1.2362% (0.53   0.02   0.02) =   0.000%
          HG13  ILE  119 - HE1   HIS   22  22.30 +/- 0.64   0.001% *  0.6533% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HE1   HIS   22  28.59 +/- 0.76   0.000% *  2.3445% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 48 (8.78, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.36, residual support = 46.6:
          HN    ASN   28 - HD1   TRP   27   2.94 +/- 0.31  98.508% * 96.9190% (0.25   5.36  46.58) =  99.978%  kept
          HN    GLU-  25 - HD1   TRP   27   5.97 +/- 0.48   1.460% *  1.4366% (0.99   0.02   0.02) =   0.022%
          HN    ASP-  44 - HD1   TRP   27  11.50 +/- 0.23   0.031% *  1.4208% (0.98   0.02   0.02) =   0.000%
          HN    ALA  110 - HD1   TRP   27  21.39 +/- 0.70   0.001% *  0.2236% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 49 (10.20, 7.19, 127.61 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.01, residual support = 94.8:
      O   HE1   TRP   27 - HD1   TRP   27   2.64 +/- 0.00 100.000% *100.0000% (0.92   2.01  94.76) = 100.000%  kept
    Distance limit 4.64 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 = 1.21, residual support = 94.8:
      O   HZ3   TRP   27 - HE3   TRP   27   2.49 +/- 0.00  99.998% * 99.7425% (0.89   1.21  94.76) = 100.000%  kept
          HZ3   TRP   27 - HN    LEU   67  15.17 +/- 0.38   0.002% *  0.2575% (0.14   0.02   0.02) =   0.000%
    Distance limit 5.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 51 (4.49, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.957, support = 3.31, residual support = 94.8:
          HA    TRP   27 - HE3   TRP   27   2.96 +/- 0.19  99.978% * 98.1713% (0.96   3.31  94.76) = 100.000%  kept
          HA    ALA   91 - HE3   TRP   27  15.32 +/- 1.44   0.007% *  0.6094% (0.98   0.02   0.02) =   0.000%
          HA    VAL  107 - HE3   TRP   27  17.88 +/- 0.53   0.002% *  0.5676% (0.91   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   67  16.55 +/- 0.74   0.004% *  0.0883% (0.14   0.02   0.02) =   0.000%
          HA    ALA  110 - HE3   TRP   27  17.81 +/- 0.38   0.002% *  0.0949% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HE3   TRP   27  20.94 +/- 0.61   0.001% *  0.2307% (0.37   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LEU   67  18.18 +/- 0.34   0.002% *  0.0923% (0.15   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   67  23.69 +/- 1.32   0.000% *  0.0948% (0.15   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   67  17.54 +/- 0.64   0.003% *  0.0148% (0.02   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    LEU   67  21.18 +/- 0.64   0.001% *  0.0359% (0.06   0.02   0.02) =   0.000%
    Distance limit 5.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 52 (3.02, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.174, support = 3.93, residual support = 94.8:
      O   HB3   TRP   27 - HE3   TRP   27   2.57 +/- 0.06  99.951% * 90.9273% (0.17   3.93  94.76) = 100.000%  kept
          QE    LYS+  99 - HN    LEU   67  10.12 +/- 0.63   0.030% *  0.3436% (0.13   0.02   0.02) =   0.000%
          QE    LYS+  99 - HE3   TRP   27  14.79 +/- 0.59   0.003% *  2.2085% (0.83   0.02   0.02) =   0.000%
          QE    LYS+  38 - HE3   TRP   27  17.25 +/- 1.05   0.001% *  2.6206% (0.98   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HE3   TRP   27  17.54 +/- 0.82   0.001% *  2.5517% (0.96   0.02   0.02) =   0.000%
          HB2   PHE   97 - HE3   TRP   27  14.49 +/- 0.60   0.003% *  0.4080% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU   67  17.69 +/- 2.03   0.002% *  0.4078% (0.15   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    LEU   67  12.85 +/- 0.73   0.007% *  0.0635% (0.02   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    LEU   67  19.81 +/- 0.74   0.000% *  0.3970% (0.15   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   67  19.15 +/- 0.48   0.001% *  0.0721% (0.03   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 53 (0.76, 7.32, 120.14 ppm):
    16 chemical-shift based assignments, quality = 0.835, support = 1.49, residual support = 8.84:
          QG1   VAL   43 - HE3   TRP   27   4.67 +/- 0.53  36.399% * 74.5463% (0.99   1.50   8.54) =  78.331%  kept
          QD2   LEU   73 - HE3   TRP   27   4.65 +/- 0.34  35.621% * 20.7267% (0.28   1.50  10.05) =  21.314%  kept
          HG    LEU   31 - HE3   TRP   27   5.26 +/- 0.19  16.650% *  0.4086% (0.41   0.02  16.57) =   0.196%
          QD1   ILE   19 - HE3   TRP   27   6.44 +/- 0.52   5.774% *  0.4838% (0.48   0.02   0.02) =   0.081%
          QG1   VAL   41 - HE3   TRP   27   8.20 +/- 0.53   1.148% *  0.9402% (0.94   0.02   0.02) =   0.031%
          QG2   THR   46 - HE3   TRP   27   8.87 +/- 0.40   0.760% *  0.8302% (0.83   0.02   0.02) =   0.018%
          QG2   VAL   18 - HE3   TRP   27   9.02 +/- 0.35   0.672% *  0.9175% (0.91   0.02   0.02) =   0.018%
          QG2   VAL   18 - HN    LEU   67   7.66 +/- 0.51   1.943% *  0.1428% (0.14   0.02   0.02) =   0.008%
          QG1   VAL   43 - HN    LEU   67  11.39 +/- 0.44   0.167% *  0.1547% (0.15   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    LEU   67  11.35 +/- 0.32   0.168% *  0.1463% (0.15   0.02   0.02) =   0.001%
          QD2   LEU   73 - HN    LEU   67   9.76 +/- 0.27   0.414% *  0.0430% (0.04   0.02   0.02) =   0.001%
          QD2   LEU  104 - HE3   TRP   27  14.92 +/- 0.59   0.031% *  0.3390% (0.34   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    LEU   67  12.17 +/- 0.53   0.113% *  0.0753% (0.08   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   67  13.75 +/- 0.51   0.053% *  0.1292% (0.13   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   67  12.91 +/- 0.55   0.079% *  0.0528% (0.05   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LEU   67  18.72 +/- 0.88   0.008% *  0.0636% (0.06   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 54 (0.60, 7.32, 120.14 ppm):
    14 chemical-shift based assignments, quality = 0.396, support = 3.68, residual support = 10.4:
          QD1   LEU   73 - HE3   TRP   27   2.55 +/- 0.28  94.514% * 41.0221% (0.37   3.76  10.05) =  93.732%  kept
          QD2   LEU   80 - HE3   TRP   27   4.43 +/- 0.25   4.568% * 56.7073% (0.76   2.55  15.20) =   6.263%  kept
          QG1   VAL   83 - HE3   TRP   27   6.62 +/- 0.24   0.379% *  0.5220% (0.89   0.02   0.02) =   0.005%
          QD1   LEU   63 - HN    LEU   67   6.55 +/- 0.52   0.432% *  0.0340% (0.06   0.02   0.02) =   0.000%
          QG2   ILE   89 - HE3   TRP   27  10.13 +/- 0.69   0.031% *  0.1618% (0.28   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   67  10.38 +/- 0.57   0.025% *  0.0857% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   63 - HE3   TRP   27  12.36 +/- 0.55   0.008% *  0.2185% (0.37   0.02   0.02) =   0.000%
          QD1   LEU  104 - HE3   TRP   27  14.36 +/- 0.59   0.003% *  0.5506% (0.94   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   67  10.29 +/- 0.69   0.025% *  0.0658% (0.11   0.02   0.02) =   0.000%
          QD2   LEU  115 - HE3   TRP   27  16.70 +/- 0.67   0.001% *  0.4227% (0.72   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU   67  12.05 +/- 0.27   0.010% *  0.0340% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   67  18.19 +/- 0.32   0.001% *  0.0692% (0.12   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU   67  19.75 +/- 0.45   0.001% *  0.0812% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU   67  19.58 +/- 0.55   0.001% *  0.0252% (0.04   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 55 (0.12, 7.32, 120.14 ppm):
    4 chemical-shift based assignments, quality = 0.72, support = 0.75, residual support = 2.07:
          QG2   VAL   75 - HE3   TRP   27   3.03 +/- 0.26  98.647% * 97.2597% (0.72   0.75   2.07) =  99.993%  kept
          QG2   VAL   42 - HN    LEU   67   6.49 +/- 0.45   1.196% *  0.3146% (0.09   0.02   0.02) =   0.004%
          QG2   VAL   42 - HE3   TRP   27   9.40 +/- 1.00   0.147% *  2.0221% (0.56   0.02   0.02) =   0.003%
          QG2   VAL   75 - HN    LEU   67  14.36 +/- 0.47   0.010% *  0.4036% (0.11   0.02   0.02) =   0.000%
    Distance limit 5.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 56 (3.48, 7.36, 120.68 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.57, residual support = 33.2:
      O T HB2   HIS   22 - HD2   HIS   22   3.82 +/- 0.08  99.990% * 99.3922% (0.92   2.57  33.24) = 100.000%  kept
          HA    LEU   63 - HD2   HIS   22  18.72 +/- 0.47   0.007% *  0.4417% (0.53   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HD2   HIS   22  21.92 +/- 0.88   0.003% *  0.1661% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.45 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 = 3.18, residual support = 33.2:
      O T HB3   HIS   22 - HD2   HIS   22   3.59 +/- 0.22  99.986% * 98.8905% (0.45   3.18  33.24) = 100.000%  kept
          HD3   ARG+  54 - HD2   HIS   22  16.85 +/- 1.88   0.014% *  1.1095% (0.80   0.02   0.02) =   0.000%
    Distance limit 5.33 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 = 0.867, support = 0.0197, residual support = 0.0197:
          QE    LYS+  74 - HD2   HIS   22   7.60 +/- 0.65  69.928% * 29.7119% (0.92   0.02   0.02) =  79.128%  kept
          HB3   ASP-  78 - HD2   HIS   22   9.62 +/- 0.93  18.068% * 19.5221% (0.61   0.02   0.02) =  13.434%  kept
          QB    CYS   50 - HD2   HIS   22  11.67 +/- 0.80   5.609% * 28.8658% (0.90   0.02   0.02) =   6.166%  kept
          HB2   PHE   72 - HD2   HIS   22  11.50 +/- 0.39   6.256% *  4.9662% (0.15   0.02   0.02) =   1.183%
          HB3   ASN   69 - HD2   HIS   22  21.78 +/- 0.48   0.139% * 16.9340% (0.53   0.02   0.02) =   0.090%
    Distance limit 5.50 A violated in 20 structures by 1.73 A, eliminated.
    Peak unassigned.
 
    Peak 59 (1.16, 7.36, 120.68 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 2.16, residual support = 5.34:
        T QB    ALA   20 - HD2   HIS   22   3.18 +/- 0.36  99.965% * 91.2031% (0.28   2.16   5.34) = 100.000%  kept
          QG2   VAL  107 - HD2   HIS   22  16.16 +/- 0.76   0.008% *  2.6313% (0.87   0.02   0.02) =   0.000%
          QG2   THR   94 - HD2   HIS   22  13.69 +/- 0.73   0.023% *  0.6003% (0.20   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   HIS   22  19.19 +/- 0.64   0.003% *  2.9275% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HD2   HIS   22  26.33 +/- 0.66   0.000% *  1.9624% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HD2   HIS   22  23.96 +/- 1.18   0.001% *  0.6754% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 60 (4.74, 7.36, 120.68 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HD2   HIS   22  18.60 +/- 1.32 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 5.50 A violated in 20 structures by 13.10 A, eliminated.
    Peak unassigned.
 
    Peak 61 (4.58, 7.36, 120.68 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 3.13, residual support = 7.7:
          HA    CYS   21 - HD2   HIS   22   3.62 +/- 0.42  99.565% * 97.3510% (0.95   3.13   7.70) =  99.999%  kept
          HA    ALA   47 - HD2   HIS   22   9.84 +/- 0.95   0.362% *  0.1826% (0.28   0.02   0.02) =   0.001%
          HA    TRP   49 - HD2   HIS   22  14.49 +/- 0.68   0.031% *  0.6567% (1.00   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   HIS   22  15.03 +/- 1.18   0.028% *  0.6212% (0.95   0.02   0.02) =   0.000%
          HA1   GLY  109 - HD2   HIS   22  18.20 +/- 1.04   0.008% *  0.6337% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD2   HIS   22  22.96 +/- 0.65   0.002% *  0.4248% (0.65   0.02   0.02) =   0.000%
          HA    VAL  108 - HD2   HIS   22  20.07 +/- 1.01   0.004% *  0.1300% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 62 (4.13, 7.19, 127.61 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 3.23, residual support = 46.6:
          HA    ASN   28 - HD1   TRP   27   3.33 +/- 0.19  98.840% * 96.8997% (1.00   3.23  46.58) =  99.998%  kept
          HA    THR   26 - HD1   TRP   27   7.25 +/- 0.29   1.027% *  0.1674% (0.28   0.02  19.83) =   0.002%
          HA    ALA   34 - HD1   TRP   27  12.63 +/- 0.37   0.034% *  0.5558% (0.92   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD1   TRP   27  13.56 +/- 1.53   0.027% *  0.4601% (0.76   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD1   TRP   27  11.64 +/- 0.23   0.058% *  0.1192% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD1   TRP   27  15.03 +/- 0.36   0.012% *  0.0815% (0.14   0.02   0.02) =   0.000%
          HA    LEU  115 - HD1   TRP   27  22.73 +/- 0.38   0.001% *  0.5968% (0.99   0.02   0.02) =   0.000%
          HA    ARG+  54 - HD1   TRP   27  22.53 +/- 0.85   0.001% *  0.4136% (0.69   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD1   TRP   27  26.35 +/- 0.59   0.000% *  0.3652% (0.61   0.02   0.02) =   0.000%
          HA    ALA  124 - HD1   TRP   27  30.28 +/- 0.64   0.000% *  0.3409% (0.57   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 63 (3.77, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 4.99, residual support = 22.9:
          HA    VAL   24 - HD1   TRP   27   3.03 +/- 0.40  99.990% * 99.5097% (1.00   4.99  22.86) = 100.000%  kept
          HA    LYS+  38 - HD1   TRP   27  15.46 +/- 0.62   0.008% *  0.2747% (0.69   0.02   0.02) =   0.000%
          HA    ALA   61 - HD1   TRP   27  19.85 +/- 0.37   0.002% *  0.0792% (0.20   0.02   0.02) =   0.000%
          HD2   PRO   68 - HD1   TRP   27  22.78 +/- 0.80   0.001% *  0.1364% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 64 (3.58, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.66, residual support = 94.8:
      O T HB2   TRP   27 - HD1   TRP   27   2.70 +/- 0.03  99.984% * 98.6712% (0.65   3.66  94.76) = 100.000%  kept
          HA    THR   77 - HD1   TRP   27  11.73 +/- 0.43   0.015% *  0.7891% (0.95   0.02   0.02) =   0.000%
          HD2   PRO   93 - HD1   TRP   27  19.43 +/- 0.50   0.001% *  0.5396% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 65 (2.98, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.09, residual support = 94.8:
      O T HB3   TRP   27 - HD1   TRP   27   3.82 +/- 0.03  99.941% * 98.2230% (0.73   4.09  94.76) = 100.000%  kept
          QE    LYS+ 106 - HD1   TRP   27  14.59 +/- 1.04   0.035% *  0.6603% (1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HD1   TRP   27  16.84 +/- 0.35   0.014% *  0.5058% (0.76   0.02   0.02) =   0.000%
          HB3   PHE   60 - HD1   TRP   27  17.68 +/- 0.30   0.010% *  0.6109% (0.92   0.02   0.02) =   0.000%
    Distance limit 5.45 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 = 2.56, residual support = 22.9:
          QG2   VAL   24 - HD1   TRP   27   3.36 +/- 0.57  44.897% * 71.6377% (0.76   2.61  22.86) =  68.259%  kept
          QG1   VAL   24 - HD1   TRP   27   3.46 +/- 0.89  55.099% * 27.1436% (0.31   2.45  22.86) =  31.741%  kept
        T QG1   VAL  107 - HD1   TRP   27  16.67 +/- 0.43   0.003% *  0.4641% (0.65   0.02   0.02) =   0.000%
          HG    LEU   63 - HD1   TRP   27  20.76 +/- 0.78   0.001% *  0.4351% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD1   TRP   27  26.32 +/- 0.81   0.000% *  0.1597% (0.22   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HD1   TRP   27  27.76 +/- 0.89   0.000% *  0.1597% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 67 (0.60, 7.19, 127.61 ppm):
    7 chemical-shift based assignments, quality = 0.866, support = 3.37, residual support = 15.2:
          QD2   LEU   80 - HD1   TRP   27   3.60 +/- 0.08  76.918% * 97.4675% (0.87   3.37  15.20) =  99.851%  kept
          QG1   VAL   83 - HD1   TRP   27   4.79 +/- 0.65  17.774% *  0.5339% (0.80   0.02   0.02) =   0.126%
          QD1   LEU   73 - HD1   TRP   27   5.70 +/- 0.21   5.162% *  0.3245% (0.49   0.02  10.05) =   0.022%
          QG2   ILE   89 - HD1   TRP   27  10.70 +/- 0.84   0.122% *  0.1319% (0.20   0.02   0.02) =   0.000%
          QD1   LEU  104 - HD1   TRP   27  16.07 +/- 0.43   0.010% *  0.6608% (0.99   0.02   0.02) =   0.000%
          QD1   LEU   63 - HD1   TRP   27  15.79 +/- 0.43   0.011% *  0.3245% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HD1   TRP   27  20.09 +/- 0.57   0.003% *  0.5569% (0.84   0.02   0.02) =   0.000%
    Distance limit 5.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 68 (0.08, 7.19, 127.61 ppm):
    3 chemical-shift based assignments, quality = 0.725, support = 1.54, residual support = 16.5:
          QD2   LEU   31 - HD1   TRP   27   3.95 +/- 0.17  92.768% * 96.7333% (0.73   1.55  16.57) =  99.862%  kept
          QG2   VAL   83 - HD1   TRP   27   6.37 +/- 0.69   6.803% *  1.7222% (1.00   0.02   0.02) =   0.130%
          QD1   ILE   89 - HD1   TRP   27   9.99 +/- 0.87   0.429% *  1.5445% (0.90   0.02   0.02) =   0.007%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 69 (6.73, 6.31, 122.21 ppm):
    2 chemical-shift based assignments, quality = 0.278, support = 1.09, residual support = 94.8:
      O T HZ2   TRP   27 - HH2   TRP   27   2.52 +/- 0.00  99.993% * 95.6459% (0.28   1.09  94.76) = 100.000%  kept
          HZ    PHE   72 - HH2   TRP   27  12.35 +/- 0.43   0.007% *  4.3541% (0.69   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 70 (6.75, 6.35, 121.95 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 1.82, residual support = 94.8:
      O   HZ2   TRP   27 - HZ3   TRP   27   4.30 +/- 0.00 100.000% *100.0000% (0.92   1.82  94.76) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 71 (7.32, 6.35, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 1.21, residual support = 94.8:
      O   HE3   TRP   27 - HZ3   TRP   27   2.49 +/- 0.00  99.887% * 95.6944% (1.00   1.21  94.76) =  99.999%  kept
          HN    THR   23 - HZ3   TRP   27   8.16 +/- 0.44   0.086% *  0.9652% (0.61   0.02   2.37) =   0.001%
          QE    PHE   95 - HZ3   TRP   27  10.52 +/- 0.56   0.019% *  1.0295% (0.65   0.02   0.02) =   0.000%
          HN    LYS+  81 - HZ3   TRP   27  12.66 +/- 0.53   0.006% *  0.3543% (0.22   0.02   0.02) =   0.000%
          QD    PHE   55 - HZ3   TRP   27  18.21 +/- 0.63   0.001% *  1.5598% (0.98   0.02   0.02) =   0.000%
          HN    LEU   67 - HZ3   TRP   27  15.17 +/- 0.38   0.002% *  0.3968% (0.25   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 72 (0.76, 6.31, 122.21 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 1.39, residual support = 8.54:
        T QG1   VAL   43 - HH2   TRP   27   1.90 +/- 0.25  96.200% * 93.8900% (0.92   1.39   8.54) =  99.969%  kept
          QD2   LEU   73 - HH2   TRP   27   4.86 +/- 0.98   3.441% *  0.7138% (0.49   0.02  10.05) =   0.027%
          HG    LEU   31 - HH2   TRP   27   5.85 +/- 0.74   0.221% *  0.9486% (0.65   0.02  16.57) =   0.002%
          QG1   VAL   41 - HH2   TRP   27   6.14 +/- 0.49   0.109% *  1.4631% (1.00   0.02   0.02) =   0.002%
          QG2   THR   46 - HH2   TRP   27   9.18 +/- 0.73   0.009% *  0.8894% (0.61   0.02   0.02) =   0.000%
          QG2   VAL   18 - HH2   TRP   27   9.66 +/- 0.76   0.007% *  1.0648% (0.73   0.02   0.02) =   0.000%
          QD1   ILE   19 - HH2   TRP   27   9.06 +/- 0.57   0.010% *  0.4077% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  104 - HH2   TRP   27  11.85 +/- 0.55   0.002% *  0.2568% (0.18   0.02   0.02) =   0.000%
          QD1   ILE   56 - HH2   TRP   27  14.10 +/- 0.45   0.001% *  0.3657% (0.25   0.02   0.02) =   0.000%
    Distance limit 5.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 73 (0.76, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.901, support = 2.89, residual support = 8.62:
        T QG1   VAL   43 - HZ3   TRP   27   2.63 +/- 0.58  83.378% * 75.8295% (0.92   2.96   8.54) =  94.885%  kept
          QD2   LEU   73 - HZ3   TRP   27   3.82 +/- 0.65  15.383% * 22.1261% (0.49   1.64  10.05) =   5.108%  kept
          HG    LEU   31 - HZ3   TRP   27   6.02 +/- 0.55   0.583% *  0.3594% (0.65   0.02  16.57) =   0.003%
          QG1   VAL   41 - HZ3   TRP   27   7.03 +/- 0.62   0.208% *  0.5543% (1.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - HZ3   TRP   27   8.22 +/- 0.58   0.107% *  0.4034% (0.73   0.02   0.02) =   0.001%
          QG2   THR   46 - HZ3   TRP   27   8.19 +/- 0.60   0.108% *  0.3370% (0.61   0.02   0.02) =   0.001%
          QD1   ILE   19 - HZ3   TRP   27   7.29 +/- 0.56   0.226% *  0.1545% (0.28   0.02   0.02) =   0.001%
          QD1   ILE   56 - HZ3   TRP   27  14.13 +/- 0.29   0.004% *  0.1385% (0.25   0.02   0.02) =   0.000%
          QD2   LEU  104 - HZ3   TRP   27  13.22 +/- 0.64   0.005% *  0.0973% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 74 (0.58, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 1.59, residual support = 10.0:
        T QD1   LEU   73 - HZ3   TRP   27   2.39 +/- 0.28  96.827% * 95.0444% (0.90   1.59  10.05) =  99.986%  kept
          QG2   VAL   41 - HZ3   TRP   27   4.67 +/- 0.37   2.043% *  0.3704% (0.28   0.02   0.02) =   0.008%
          QD2   LEU   80 - HZ3   TRP   27   5.84 +/- 0.26   0.633% *  0.7009% (0.53   0.02  15.20) =   0.005%
          QD2   LEU   98 - HZ3   TRP   27   6.62 +/- 0.96   0.308% *  0.2056% (0.15   0.02   0.02) =   0.001%
          QD1   LEU   80 - HZ3   TRP   27   8.04 +/- 0.89   0.159% *  0.2056% (0.15   0.02  15.20) =   0.000%
        T QD1   LEU   63 - HZ3   TRP   27  10.48 +/- 0.46   0.016% *  1.1948% (0.90   0.02   0.02) =   0.000%
          QD2   LEU   63 - HZ3   TRP   27  12.24 +/- 0.57   0.006% *  1.1128% (0.84   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HZ3   TRP   27  12.63 +/- 0.64   0.005% *  0.4112% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HZ3   TRP   27  14.86 +/- 0.60   0.002% *  0.7543% (0.57   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 75 (0.08, 6.35, 121.95 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 1.96, residual support = 16.6:
        T QD2   LEU   31 - HZ3   TRP   27   3.57 +/- 0.35  98.255% * 97.5736% (0.76   1.96  16.57) =  99.977%  kept
          QG2   VAL   83 - HZ3   TRP   27   7.45 +/- 0.29   1.443% *  1.2980% (1.00   0.02   0.02) =   0.020%
          QD1   ILE   89 - HZ3   TRP   27   9.72 +/- 0.64   0.303% *  1.1284% (0.87   0.02   0.02) =   0.004%
    Distance limit 5.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 76 (0.08, 6.31, 122.21 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 1.96, residual support = 16.6:
          QD2   LEU   31 - HH2   TRP   27   3.44 +/- 0.26  97.890% * 97.5736% (0.76   1.96  16.57) =  99.972%  kept
          QG2   VAL   83 - HH2   TRP   27   6.95 +/- 0.34   1.689% *  1.2980% (1.00   0.02   0.02) =   0.023%
          QD1   ILE   89 - HH2   TRP   27   8.95 +/- 0.77   0.422% *  1.1284% (0.87   0.02   0.02) =   0.005%
    Distance limit 5.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 77 (0.58, 6.31, 122.21 ppm):
    8 chemical-shift based assignments, quality = 0.997, support = 1.58, residual support = 10.0:
          QD1   LEU   73 - HH2   TRP   27   3.28 +/- 0.36  76.915% * 95.1789% (1.00   1.58  10.05) =  99.931%  kept
          QG2   VAL   41 - HH2   TRP   27   4.18 +/- 0.29  20.364% *  0.1637% (0.14   0.02   0.02) =   0.046%
          QD2   LEU   80 - HH2   TRP   27   6.47 +/- 0.24   1.506% *  0.9246% (0.76   0.02  15.20) =   0.019%
          QG1   VAL   83 - HH2   TRP   27   6.94 +/- 0.36   1.044% *  0.1867% (0.15   0.02   0.02) =   0.003%
          QD1   LEU   63 - HH2   TRP   27  10.44 +/- 0.44   0.081% *  1.2071% (1.00   0.02   0.02) =   0.001%
          QD1   LEU  104 - HH2   TRP   27  11.60 +/- 0.50   0.046% *  0.6365% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   63 - HH2   TRP   27  12.18 +/- 0.56   0.033% *  0.7338% (0.61   0.02   0.02) =   0.000%
          QD2   LEU  115 - HH2   TRP   27  14.76 +/- 0.58   0.010% *  0.9687% (0.80   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 78 (6.31, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 1.09, residual support = 94.8:
      O T HH2   TRP   27 - HZ2   TRP   27   2.52 +/- 0.00 100.000% *100.0000% (0.99   1.09  94.76) = 100.000%  kept
    Distance limit 4.64 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 = 0.868, support = 0.02, residual support = 34.6:
          HD21  ASN   28 - HZ2   TRP   27   6.80 +/- 0.45  73.543% * 29.3147% (0.87   0.02  46.58) =  74.173%  kept
          HZ2   TRP   87 - HZ2   TRP   27   9.08 +/- 0.65  14.483% * 33.1258% (0.98   0.02   0.02) =  16.506%  kept
          QE    PHE   60 - HZ2   TRP   27   9.41 +/- 0.41  11.526% * 23.2140% (0.69   0.02   0.02) =   9.206%  kept
          HN    LEU   63 - HZ2   TRP   27  17.39 +/- 0.35   0.277% *  8.4269% (0.25   0.02   0.02) =   0.080%
          HN    ILE   56 - HZ2   TRP   27  18.89 +/- 0.54   0.171% *  5.9185% (0.18   0.02   0.02) =   0.035%
    Distance limit 5.50 A violated in 18 structures by 0.95 A, eliminated.
    Peak unassigned.
 
    Peak 80 (10.20, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 1.2, residual support = 94.8:
      O   HE1   TRP   27 - HZ2   TRP   27   2.85 +/- 0.00 100.000% *100.0000% (0.90   1.20  94.76) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (10.57, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 0.02, residual support = 0.02:
          HE1   TRP   87 - HZ2   TRP   27   8.33 +/- 0.65 100.000% *100.0000% (0.92   0.02   0.02) = 100.000%  kept
    Distance limit 5.50 A violated in 20 structures by 2.83 A, eliminated.
    Peak unassigned.
 
    Peak 82 (0.05, 6.75, 114.38 ppm):
    2 chemical-shift based assignments, quality = 0.527, support = 3.81, residual support = 15.8:
        T QD2   LEU   31 - HZ2   TRP   27   3.07 +/- 0.23  75.314% * 75.1478% (0.49   4.14  16.57) =  90.220%  kept
        T QG2   VAL   43 - HZ2   TRP   27   3.75 +/- 0.33  24.686% * 24.8522% (0.90   0.74   8.54) =   9.780%  kept
    Distance limit 5.16 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 = 0.943, support = 1.02, residual support = 2.7:
        T QD1   ILE   89 - QD    PHE   45   3.75 +/- 0.15  66.585% * 37.2356% (0.90   0.83   3.01) =  54.988%  kept
          QG2   VAL   83 - QD    PHE   45   4.32 +/- 0.45  32.704% * 62.0411% (1.00   1.25   2.31) =  45.000%  kept
          QD2   LEU   31 - QD    PHE   45   8.04 +/- 0.38   0.711% *  0.7233% (0.73   0.02   0.02) =   0.011%
    Distance limit 4.98 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 = 0.972, support = 2.01, residual support = 2.67:
          QD1   ILE   89 - QE    PHE   45   3.47 +/- 0.47  32.873% * 67.8003% (0.97   2.72   3.01) =  51.207%  kept
          QG2   VAL   83 - QE    PHE   45   2.88 +/- 0.52  66.599% * 31.8864% (0.98   1.26   2.31) =  48.789%  kept
          QD2   LEU   31 - QE    PHE   45   6.70 +/- 0.46   0.528% *  0.3133% (0.61   0.02   0.02) =   0.004%
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 85 (0.44, 6.86, 131.77 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 2.96, residual support = 17.1:
        T QG1   VAL   75 - QD    PHE   45   2.25 +/- 0.28  99.985% * 99.3501% (1.00   2.96  17.14) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   45  10.29 +/- 0.44   0.015% *  0.6499% (0.97   0.02   0.02) =   0.000%
    Distance limit 5.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 86 (1.00, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 2.0, residual support = 17.1:
        T HB    VAL   75 - QD    PHE   45   3.58 +/- 0.16  98.565% * 97.4515% (0.99   2.00  17.14) =  99.993%  kept
          QG2   ILE  103 - QD    PHE   45   8.96 +/- 0.30   0.436% *  0.4786% (0.49   0.02   0.02) =   0.002%
          HG3   LYS+  74 - QD    PHE   45   8.57 +/- 0.22   0.544% *  0.3690% (0.38   0.02   0.02) =   0.002%
          QD2   LEU   40 - QD    PHE   45   9.89 +/- 0.17   0.231% *  0.6361% (0.65   0.02   0.02) =   0.002%
          QD1   LEU   67 - QD    PHE   45  11.46 +/- 0.31   0.096% *  0.5964% (0.61   0.02   0.02) =   0.001%
          QD1   ILE  119 - QD    PHE   45  12.18 +/- 0.46   0.067% *  0.3354% (0.34   0.02   0.02) =   0.000%
          HB2   LEU  104 - QD    PHE   45  12.34 +/- 0.21   0.061% *  0.1331% (0.14   0.02   0.02) =   0.000%
    Distance limit 5.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 87 (1.32, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 2.68, residual support = 10.7:
        T QG2   THR   77 - QD    PHE   45   2.69 +/- 0.26  98.174% * 94.7956% (0.65   2.68  10.72) =  99.994%  kept
        T HB3   ASP-  44 - QD    PHE   45   5.66 +/- 0.23   1.321% *  0.2163% (0.20   0.02  12.78) =   0.003%
          HB3   LEU   80 - QD    PHE   45   7.03 +/- 0.60   0.396% *  0.4101% (0.38   0.02   0.02) =   0.002%
          QB    ALA   88 - QD    PHE   45   9.35 +/- 0.27   0.064% *  1.0546% (0.97   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - QD    PHE   45  12.47 +/- 0.34   0.011% *  0.6628% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    PHE   45  12.38 +/- 0.45   0.012% *  0.5750% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    PHE   45  11.42 +/- 0.26   0.019% *  0.3038% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    PHE   45  16.21 +/- 0.37   0.002% *  0.9479% (0.87   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    PHE   45  19.03 +/- 0.61   0.001% *  1.0338% (0.95   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 88 (1.20, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.8, support = 0.75, residual support = 27.2:
          QG2   THR   94 - QD    PHE   45   3.71 +/- 0.24  96.054% * 89.7232% (0.80   0.75  27.20) =  99.956%  kept
          HG12  ILE   89 - QD    PHE   45   6.50 +/- 0.23   3.800% *  0.9222% (0.31   0.02   3.01) =   0.041%
          HB3   LEU   71 - QD    PHE   45  13.76 +/- 0.67   0.044% *  2.9616% (0.99   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - QD    PHE   45  12.58 +/- 0.39   0.068% *  1.1214% (0.38   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD    PHE   45  15.96 +/- 0.47   0.016% *  2.9880% (1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - QD    PHE   45  15.69 +/- 0.48   0.018% *  2.2835% (0.76   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 89 (0.45, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 2.31, residual support = 17.1:
        T QG1   VAL   75 - QE    PHE   45   2.52 +/- 0.32  99.987% * 99.3041% (0.90   2.31  17.14) = 100.000%  kept
          QD1   LEU  115 - QE    PHE   45  11.81 +/- 0.39   0.013% *  0.6959% (0.73   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 90 (1.75, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 0.431, residual support = 2.1:
          HB    ILE   89 - QE    PHE   45   5.58 +/- 0.30   4.450% * 93.2532% (0.61   0.61   3.01) =  69.687%  kept
          HB    VAL   43 - QE    PHE   45   3.12 +/- 0.45  95.327% *  1.8912% (0.38   0.02   0.02) =  30.274%  kept
          QG1   ILE   56 - QE    PHE   45   9.94 +/- 0.27   0.130% *  0.7775% (0.15   0.02   0.02) =   0.017%
          QD    LYS+  81 - QE    PHE   45  11.43 +/- 0.62   0.051% *  1.5553% (0.31   0.02   0.02) =   0.013%
          HB2   LYS+  99 - QE    PHE   45  13.59 +/- 0.53   0.023% *  1.4010% (0.28   0.02   0.02) =   0.005%
          HB3   LYS+  99 - QE    PHE   45  13.60 +/- 0.61   0.019% *  1.1219% (0.22   0.02   0.02) =   0.004%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 91 (1.95, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 2.0, residual support = 9.9:
          HB3   MET   96 - QE    PHE   45   3.05 +/- 0.34  99.926% * 93.6219% (0.45   2.00   9.90) =  99.999%  kept
          HB    VAL   18 - QE    PHE   45  11.58 +/- 0.55   0.043% *  1.4344% (0.69   0.02   0.02) =   0.001%
          HB2   LEU   40 - QE    PHE   45  13.75 +/- 0.31   0.014% *  1.7442% (0.84   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QE    PHE   45  16.31 +/- 0.57   0.005% *  1.9277% (0.92   0.02   0.02) =   0.000%
          HB2   LEU   67 - QE    PHE   45  14.60 +/- 0.29   0.010% *  0.8585% (0.41   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QE    PHE   45  19.85 +/- 1.26   0.002% *  0.4133% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 92 (2.24, 6.68, 130.18 ppm):
    10 chemical-shift based assignments, quality = 0.222, support = 1.98, residual support = 9.89:
        T HB2   MET   96 - QE    PHE   45   3.61 +/- 0.12  97.583% * 80.8967% (0.22   1.98   9.90) =  99.916%  kept
          HG3   MET   92 - QE    PHE   45   8.60 +/- 2.19   1.280% *  3.5336% (0.97   0.02   0.02) =   0.057%
          HB3   ASP-  76 - QE    PHE   45   8.79 +/- 0.24   0.484% *  2.6588% (0.73   0.02   0.02) =   0.016%
          HB2   ASP- 105 - QE    PHE   45  11.59 +/- 0.26   0.090% *  3.3800% (0.92   0.02   0.02) =   0.004%
          QG    GLN   90 - QE    PHE   45   9.31 +/- 0.53   0.355% *  0.8152% (0.22   0.02   0.02) =   0.004%
          HB2   GLU-  29 - QE    PHE   45  13.56 +/- 0.59   0.037% *  3.2838% (0.90   0.02   0.02) =   0.002%
        T HB3   PHE   72 - QE    PHE   45  10.98 +/- 0.76   0.139% *  0.6412% (0.18   0.02   0.02) =   0.001%
          HG12  ILE  119 - QE    PHE   45  15.37 +/- 0.56   0.017% *  1.9264% (0.53   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   45  16.87 +/- 0.51   0.009% *  2.3687% (0.65   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   45  18.42 +/- 1.24   0.006% *  0.4955% (0.14   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 93 (6.37, 6.68, 130.18 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 1.0, residual support = 77.2:
      O T HZ    PHE   45 - QE    PHE   45   2.18 +/- 0.00  99.659% * 97.4552% (0.53   1.00  77.24) =  99.991%  kept
          HZ3   TRP   27 - QE    PHE   45   5.76 +/- 0.44   0.341% *  2.5448% (0.69   0.02   0.02) =   0.009%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 94 (6.84, 6.68, 130.18 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.22, residual support = 77.2:
      O   QD    PHE   45 - QE    PHE   45   2.23 +/- 0.00  99.998% * 98.1519% (0.65   3.22  77.24) = 100.000%  kept
          HD2   HIS  122 - QE    PHE   45  14.01 +/- 0.29   0.002% *  0.8447% (0.90   0.02   0.02) =   0.000%
          HE22  GLN  116 - QE    PHE   45  19.88 +/- 0.54   0.000% *  0.8170% (0.87   0.02   0.02) =   0.000%
          HE22  GLN   17 - QE    PHE   45  18.67 +/- 0.82   0.000% *  0.1864% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 95 (1.94, 6.86, 131.77 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 2.0, residual support = 9.9:
          HB3   MET   96 - QD    PHE   45   3.77 +/- 0.34  99.670% * 96.5080% (0.80   2.00   9.90) =  99.998%  kept
          HB    VAL   18 - QD    PHE   45  10.88 +/- 0.49   0.209% *  0.4111% (0.34   0.02   0.02) =   0.001%
          HB2   LEU   40 - QD    PHE   45  14.48 +/- 0.24   0.035% *  1.2052% (1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD    PHE   45  14.17 +/- 0.58   0.042% *  0.7310% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD    PHE   45  14.38 +/- 0.28   0.037% *  0.1860% (0.15   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD    PHE   45  19.91 +/- 1.31   0.006% *  0.5867% (0.49   0.02   0.02) =   0.000%
          HG3   MET   11 - QD    PHE   45  27.98 +/- 2.28   0.001% *  0.3720% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 96 (2.22, 6.86, 131.77 ppm):
    9 chemical-shift based assignments, quality = 0.868, support = 1.97, residual support = 9.6:
          HB2   MET   96 - QD    PHE   45   4.67 +/- 0.08  78.605% * 63.5289% (0.87   2.00   9.90) =  96.972%  kept
          HB3   ASP-  76 - QD    PHE   45   7.59 +/- 0.25   4.459% * 33.9931% (0.92   1.01   0.02) =   2.944%  kept
          HG3   MET   92 - QD    PHE   45   7.00 +/- 1.99  16.201% *  0.2498% (0.34   0.02   0.02) =   0.079%
          HB2   ASP- 105 - QD    PHE   45  11.47 +/- 0.26   0.368% *  0.5318% (0.73   0.02   0.02) =   0.004%
          HB    VAL   70 - QD    PHE   45  14.07 +/- 0.24   0.106% *  0.3284% (0.45   0.02   0.02) =   0.001%
          QG    GLN   17 - QD    PHE   45  14.59 +/- 0.64   0.087% *  0.2749% (0.38   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QD    PHE   45  18.28 +/- 0.46   0.022% *  0.7068% (0.97   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    PHE   45  15.05 +/- 0.50   0.072% *  0.2036% (0.28   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD    PHE   45  14.80 +/- 0.49   0.079% *  0.1826% (0.25   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 97 (2.43, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 77.2:
      O T HB3   PHE   45 - QD    PHE   45   2.32 +/- 0.04  99.899% * 98.1652% (0.80   4.62  77.24) = 100.000%  kept
          HB    VAL  107 - QD    PHE   45   7.84 +/- 0.78   0.077% *  0.1992% (0.38   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QD    PHE   45   9.87 +/- 0.63   0.018% *  0.4604% (0.87   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QD    PHE   45  12.98 +/- 0.42   0.003% *  0.4250% (0.80   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QD    PHE   45  16.92 +/- 0.38   0.001% *  0.5122% (0.97   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QD    PHE   45  15.04 +/- 0.26   0.001% *  0.2380% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 98 (3.06, 6.86, 131.77 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 3.92, residual support = 77.2:
      O T HB2   PHE   45 - QD    PHE   45   2.53 +/- 0.08  99.902% * 99.2003% (0.97   3.92  77.24) = 100.000%  kept
          HB2   CYS   21 - QD    PHE   45   8.13 +/- 0.29   0.092% *  0.2761% (0.53   0.02   0.02) =   0.000%
          QE    LYS+ 111 - QD    PHE   45  12.89 +/- 0.52   0.006% *  0.5236% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 99 (3.95, 6.86, 131.77 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 27.2:
          HB    THR   94 - QD    PHE   45   3.98 +/- 0.13  98.484% * 93.8952% (0.69   2.96  27.20) =  99.991%  kept
          QB    SER   48 - QD    PHE   45   9.86 +/- 0.31   0.435% *  0.7403% (0.80   0.02   0.02) =   0.003%
          QB    SER   85 - QD    PHE   45  10.24 +/- 0.19   0.353% *  0.8745% (0.95   0.02   0.02) =   0.003%
          HA    ALA   88 - QD    PHE   45   9.93 +/- 0.27   0.418% *  0.1426% (0.15   0.02   0.02) =   0.001%
          HD2   PRO   52 - QD    PHE   45  12.55 +/- 1.16   0.126% *  0.2853% (0.31   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    PHE   45  13.96 +/- 0.31   0.055% *  0.4864% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD    PHE   45  17.01 +/- 0.37   0.017% *  0.8291% (0.90   0.02   0.02) =   0.000%
          QB    SER  117 - QD    PHE   45  14.30 +/- 0.28   0.047% *  0.2570% (0.28   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   45  18.29 +/- 0.23   0.011% *  0.8922% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    PHE   45  18.40 +/- 0.44   0.010% *  0.8745% (0.95   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   45  17.06 +/- 0.22   0.016% *  0.5607% (0.61   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    PHE   45  15.64 +/- 0.48   0.028% *  0.1619% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 100 (4.31, 6.86, 131.77 ppm):
    10 chemical-shift based assignments, quality = 0.341, support = 3.8, residual support = 12.8:
          HA    ASP-  44 - QD    PHE   45   3.35 +/- 0.25  91.287% * 92.7631% (0.34   3.80  12.78) =  99.959%  kept
          HB    THR   77 - QD    PHE   45   5.08 +/- 0.28   8.310% *  0.3975% (0.28   0.02  10.72) =   0.039%
          HA    ASP-  86 - QD    PHE   45  11.36 +/- 0.23   0.064% *  1.4014% (0.98   0.02   0.02) =   0.001%
          HA    SER   85 - QD    PHE   45  10.70 +/- 0.16   0.092% *  0.3975% (0.28   0.02   0.02) =   0.000%
          HA    TRP   87 - QD    PHE   45   9.99 +/- 0.14   0.144% *  0.2206% (0.15   0.02   0.02) =   0.000%
          HA    LEU  104 - QD    PHE   45  13.95 +/- 0.25   0.019% *  1.1942% (0.84   0.02   0.02) =   0.000%
          HA    ILE  103 - QD    PHE   45  11.08 +/- 0.37   0.080% *  0.2829% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   45  20.88 +/- 0.80   0.002% *  1.4265% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   45  25.60 +/- 1.08   0.001% *  1.3797% (0.97   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   45  27.48 +/- 2.05   0.000% *  0.5366% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 101 (4.88, 6.86, 131.77 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.62, residual support = 77.2:
          HA    PHE   45 - QD    PHE   45   3.11 +/- 0.08  99.020% * 96.5627% (0.25   4.62  77.24) =  99.995%  kept
          HA    MET   92 - QD    PHE   45   7.01 +/- 0.68   0.920% *  0.4181% (0.25   0.02   0.02) =   0.004%
          HA    VAL   41 - QD    PHE   45  10.87 +/- 0.16   0.055% *  1.3426% (0.80   0.02   0.02) =   0.001%
          HA    HIS  122 - QD    PHE   45  16.44 +/- 0.32   0.005% *  1.6766% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 102 (8.76, 6.86, 131.77 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 4.92, residual support = 77.2:
          HN    PHE   45 - QD    PHE   45   2.04 +/- 0.14  99.260% * 98.5495% (0.45   4.92  77.24) =  99.997%  kept
          HN    ASP-  44 - QD    PHE   45   4.68 +/- 0.22   0.728% *  0.4009% (0.45   0.02  12.78) =   0.003%
          HN    ALA  110 - QD    PHE   45   9.43 +/- 0.61   0.011% *  0.6143% (0.69   0.02   0.02) =   0.000%
          HN    GLU-  25 - QD    PHE   45  13.15 +/- 0.46   0.002% *  0.4353% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 103 (6.68, 6.38, 129.17 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 77.2:
      O   QE    PHE   45 - HZ    PHE   45   2.18 +/- 0.00  99.996% * 97.6566% (0.98   1.00  77.24) = 100.000%  kept
          QD    PHE   72 - HZ    PHE   45  11.87 +/- 0.36   0.004% *  1.7284% (0.87   0.02   0.02) =   0.000%
          HD22  ASN   69 - HZ    PHE   45  20.75 +/- 1.13   0.000% *  0.6150% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.21 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 = 0.482, support = 4.7, residual support = 67.2:
          HN    TRP   49 - HD1   TRP   49   3.00 +/- 0.39  90.200% * 33.6056% (0.38   4.92  80.86) =  82.385%  kept
          HN    CYS   50 - HD1   TRP   49   4.98 +/- 0.55   9.794% * 66.1736% (0.98   3.71   3.23) =  17.615%  kept
          HN    VAL   83 - HD1   TRP   49  14.87 +/- 1.49   0.006% *  0.2209% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 105 (11.09, 7.35, 128.88 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 2.17, residual support = 80.9:
      O   HE1   TRP   49 - HD1   TRP   49   2.64 +/- 0.00 100.000% *100.0000% (0.84   2.17  80.86) = 100.000%  kept
    Distance limit 4.58 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 = 80.9:
      O   HH2   TRP   49 - HZ2   TRP   49   2.52 +/- 0.00  99.999% * 98.0741% (0.41   1.00  80.86) = 100.000%  kept
          HE21  GLN   30 - HZ2   TRP   49  20.51 +/- 1.12   0.000% *  1.1897% (0.25   0.02   0.02) =   0.000%
          QD    PHE   97 - HZ2   TRP   49  19.70 +/- 0.69   0.000% *  0.7362% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.60 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 = 80.9:
      O   HE1   TRP   49 - HZ2   TRP   49   2.85 +/- 0.00 100.000% *100.0000% (0.53   1.00  80.86) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 109 (7.49, 7.18, 125.21 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 80.9:
      O   HZ2   TRP   49 - HH2   TRP   49   2.52 +/- 0.00 100.000% * 98.7227% (1.00   1.00  80.86) = 100.000%  kept
          HN    LYS+ 121 - HH2   TRP   49  27.41 +/- 1.14   0.000% *  1.2773% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 0.949, support = 1.29, residual support = 2.5:
          QG2   VAL   83 - HZ    PHE   45   4.21 +/- 0.52  68.152% * 51.8338% (0.99   1.26   2.31) =  72.962%  kept
          QD1   ILE   89 - HZ    PHE   45   5.08 +/- 0.51  27.499% * 47.5012% (0.84   1.37   3.01) =  26.979%  kept
          QD2   LEU   31 - HZ    PHE   45   6.84 +/- 0.59   4.349% *  0.6650% (0.80   0.02   0.02) =   0.060%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 111 (3.70, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 4.64, residual support = 80.9:
      O T HB2   TRP   49 - HD1   TRP   49   3.83 +/- 0.04  99.714% * 98.1078% (0.65   4.64  80.86) =  99.999%  kept
          HA    ALA   84 - HD1   TRP   49  11.94 +/- 1.05   0.129% *  0.2932% (0.45   0.02   0.02) =   0.000%
          HA    VAL   75 - HD1   TRP   49  12.81 +/- 1.02   0.081% *  0.3702% (0.57   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD1   TRP   49  15.34 +/- 2.37   0.052% *  0.1818% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   58 - HD1   TRP   49  16.19 +/- 1.46   0.022% *  0.2018% (0.31   0.02   0.02) =   0.000%
          HA    ILE  119 - HD1   TRP   49  24.85 +/- 1.42   0.001% *  0.4749% (0.73   0.02   0.02) =   0.000%
          HA    THR  118 - HD1   TRP   49  25.49 +/- 1.68   0.001% *  0.3702% (0.57   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 112 (3.15, 7.35, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 4.64, residual support = 80.9:
      O T HB3   TRP   49 - HD1   TRP   49   2.73 +/- 0.08  99.999% * 99.6521% (0.90   4.64  80.86) = 100.000%  kept
          HB3   PHE   59 - HD1   TRP   49  18.79 +/- 1.60   0.001% *  0.3479% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.77 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 = 2.53, residual support = 14.9:
          QB    ALA   47 - HD1   TRP   49   3.60 +/- 0.43  99.975% * 98.5536% (0.84   2.53  14.95) = 100.000%  kept
          QG1   VAL   42 - HD1   TRP   49  16.96 +/- 0.72   0.010% *  0.6777% (0.73   0.02   0.02) =   0.000%
          QB    ALA   64 - HD1   TRP   49  17.72 +/- 0.45   0.008% *  0.4184% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HD1   TRP   49  18.40 +/- 2.20   0.007% *  0.3503% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 118 (1.84, 7.49, 115.54 ppm):
    13 chemical-shift based assignments, quality = 0.448, support = 0.75, residual support = 1.5:
          HB3   GLN   90 - HZ2   TRP   49   3.18 +/- 0.68  99.724% * 70.2071% (0.45   0.75   1.50) =  99.992%  kept
          QB    LYS+  81 - HZ2   TRP   49  10.46 +/- 1.03   0.182% *  1.5673% (0.38   0.02   0.02) =   0.004%
          HB3   PRO   52 - HZ2   TRP   49  11.91 +/- 0.95   0.060% *  3.6223% (0.87   0.02   0.02) =   0.003%
          HG2   ARG+  54 - HZ2   TRP   49  14.52 +/- 1.05   0.020% *  2.8685% (0.69   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HZ2   TRP   49  17.45 +/- 0.78   0.007% *  1.4244% (0.34   0.02   0.02) =   0.000%
          HG12  ILE  103 - HZ2   TRP   49  22.71 +/- 0.99   0.001% *  2.5328% (0.61   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   49  24.24 +/- 0.97   0.001% *  3.0323% (0.73   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   49  24.11 +/- 0.93   0.001% *  2.7014% (0.65   0.02   0.02) =   0.000%
          HB    VAL   41 - HZ2   TRP   49  23.30 +/- 0.99   0.001% *  1.8722% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   49  24.27 +/- 0.81   0.001% *  2.1970% (0.53   0.02   0.02) =   0.000%
          QB    LYS+  66 - HZ2   TRP   49  24.63 +/- 0.48   0.001% *  1.1611% (0.28   0.02   0.02) =   0.000%
        T HG    LEU  123 - HZ2   TRP   49  30.04 +/- 0.76   0.000% *  3.6223% (0.87   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   49  32.09 +/- 0.44   0.000% *  3.1913% (0.76   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 119 (0.38, 7.49, 115.54 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 2.03, residual support = 14.9:
          QB    ALA   47 - HZ2   TRP   49   3.60 +/- 0.27  99.979% * 98.0051% (0.69   2.03  14.95) = 100.000%  kept
          QG1   VAL   42 - HZ2   TRP   49  16.80 +/- 0.54   0.010% *  0.7942% (0.57   0.02   0.02) =   0.000%
          QB    ALA   64 - HZ2   TRP   49  18.81 +/- 0.40   0.005% *  0.8509% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HZ2   TRP   49  18.98 +/- 0.88   0.005% *  0.3498% (0.25   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 120 (2.30, 7.18, 125.21 ppm):
    10 chemical-shift based assignments, quality = 0.795, support = 0.0198, residual support = 0.0198:
          HG2   MET   92 - HH2   TRP   49   7.79 +/- 1.29  67.510% * 17.1211% (0.87   0.02   0.02) =  79.605%  kept
          HB2   GLU-  79 - HH2   TRP   49  11.85 +/- 0.99   9.994% * 14.3325% (0.73   0.02   0.02) =   9.865%  kept
          HG2   PRO   52 - HH2   TRP   49   9.68 +/- 1.67  20.652% *  6.7327% (0.34   0.02   0.02) =   9.576%  kept
          QG    GLU- 114 - HH2   TRP   49  17.30 +/- 1.32   0.576% * 15.8047% (0.80   0.02   0.02) =   0.627%
          HB2   ASP-  44 - HH2   TRP   49  15.82 +/- 0.68   1.056% *  3.4567% (0.18   0.02   0.02) =   0.251%
          HG3   GLU-  25 - HH2   TRP   49  24.85 +/- 1.16   0.088% *  3.9061% (0.20   0.02   0.02) =   0.024%
          QG    GLU-  15 - HH2   TRP   49  27.04 +/- 1.15   0.046% *  4.9216% (0.25   0.02   0.02) =   0.015%
          HG3   GLU-  36 - HH2   TRP   49  33.65 +/- 0.99   0.013% * 17.1211% (0.87   0.02   0.02) =   0.015%
          QG    GLU-  14 - HH2   TRP   49  27.13 +/- 1.76   0.055% *  3.0454% (0.15   0.02   0.02) =   0.012%
          QB    MET   11 - HH2   TRP   49  35.25 +/- 2.58   0.012% * 13.5580% (0.69   0.02   0.02) =   0.011%
    Distance limit 5.50 A violated in 20 structures by 1.72 A, eliminated.
    Peak unassigned.
 
    Peak 121 (1.84, 7.18, 125.21 ppm):
    13 chemical-shift based assignments, quality = 0.448, support = 0.75, residual support = 1.5:
          HB3   GLN   90 - HH2   TRP   49   3.30 +/- 0.74  99.690% * 70.2071% (0.45   0.75   1.50) =  99.989%  kept
          HB3   PRO   52 - HH2   TRP   49  11.43 +/- 1.57   0.109% *  3.6223% (0.87   0.02   0.02) =   0.006%
          QB    LYS+  81 - HH2   TRP   49  11.61 +/- 1.33   0.163% *  1.5673% (0.38   0.02   0.02) =   0.004%
          HG2   ARG+  54 - HH2   TRP   49  14.73 +/- 0.97   0.023% *  2.8685% (0.69   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HH2   TRP   49  17.58 +/- 1.12   0.008% *  1.4244% (0.34   0.02   0.02) =   0.000%
          HG12  ILE  103 - HH2   TRP   49  23.22 +/- 1.05   0.002% *  2.5328% (0.61   0.02   0.02) =   0.000%
          HB    ILE  103 - HH2   TRP   49  24.62 +/- 1.10   0.001% *  3.0323% (0.73   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HH2   TRP   49  24.36 +/- 1.13   0.001% *  2.7014% (0.65   0.02   0.02) =   0.000%
          HB    VAL   41 - HH2   TRP   49  24.14 +/- 1.10   0.001% *  1.8722% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HH2   TRP   49  25.27 +/- 0.78   0.001% *  2.1970% (0.53   0.02   0.02) =   0.000%
          HG    LEU  123 - HH2   TRP   49  30.21 +/- 1.28   0.000% *  3.6223% (0.87   0.02   0.02) =   0.000%
          QB    LYS+  66 - HH2   TRP   49  25.00 +/- 0.66   0.001% *  1.1611% (0.28   0.02   0.02) =   0.000%
          HG3   PRO   68 - HH2   TRP   49  32.74 +/- 0.59   0.000% *  3.1913% (0.76   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 122 (3.36, 7.32, 132.31 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 2.37, residual support = 19.7:
      O   QB    PHE   55 - QD    PHE   55   2.14 +/- 0.00  99.771% * 94.3121% (0.25   2.37  19.74) =  99.996%  kept
          HD2   ARG+  54 - QD    PHE   55   6.75 +/- 0.82   0.136% *  1.9355% (0.61   0.02   2.72) =   0.003%
          HB3   CYS   53 - QD    PHE   55   7.77 +/- 0.90   0.068% *  1.6789% (0.53   0.02   0.02) =   0.001%
          HD3   PRO   93 - QD    PHE   55   8.78 +/- 0.82   0.026% *  1.0885% (0.34   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   55  20.13 +/- 0.71   0.000% *  0.9849% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 123 (4.46, 7.32, 132.31 ppm):
    6 chemical-shift based assignments, quality = 0.843, support = 1.71, residual support = 18.8:
          HA    PHE   55 - QD    PHE   55   3.02 +/- 0.29  95.421% * 47.2086% (0.84   1.71  19.74) =  95.101%  kept
          HA    ALA  110 - QD    PHE   55   5.50 +/- 0.64   4.496% * 51.6181% (1.00   1.57   0.47) =   4.899%  kept
          HA    VAL  107 - QD    PHE   55  11.23 +/- 0.54   0.045% *  0.2251% (0.34   0.02   0.02) =   0.000%
          HA    ALA   91 - QD    PHE   55  12.73 +/- 1.11   0.028% *  0.1469% (0.22   0.02   0.02) =   0.000%
          HA    GLN   90 - QD    PHE   55  15.93 +/- 0.73   0.006% *  0.6368% (0.97   0.02   0.02) =   0.000%
          HA    VAL   42 - QD    PHE   55  16.30 +/- 0.54   0.005% *  0.1645% (0.25   0.02   0.02) =   0.000%
    Distance limit 5.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 124 (1.43, 7.32, 132.31 ppm):
    14 chemical-shift based assignments, quality = 0.8, support = 0.472, residual support = 0.465:
          QB    ALA  110 - QD    PHE   55   3.74 +/- 0.46  95.675% * 71.6517% (0.80   0.47   0.47) =  99.901%  kept
          HB3   LEU  115 - QD    PHE   55   6.88 +/- 0.62   3.550% *  1.1695% (0.31   0.02   0.02) =   0.061%
          QB    ALA   61 - QD    PHE   55   9.02 +/- 0.35   0.628% *  3.6567% (0.97   0.02   0.02) =   0.033%
        T QG    LYS+  66 - QD    PHE   55  13.56 +/- 0.67   0.055% *  3.5843% (0.95   0.02   0.02) =   0.003%
          HB3   LEU   67 - QD    PHE   55  18.39 +/- 0.59   0.008% *  3.7890% (1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    PHE   55  18.94 +/- 0.61   0.007% *  3.0340% (0.80   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    PHE   55  15.75 +/- 1.47   0.023% *  0.7498% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    PHE   55  15.28 +/- 0.52   0.024% *  0.6636% (0.18   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    PHE   55  20.77 +/- 1.31   0.004% *  3.1649% (0.84   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    PHE   55  20.88 +/- 0.74   0.004% *  2.7514% (0.73   0.02   0.02) =   0.000%
        T HG    LEU   67 - QD    PHE   55  17.80 +/- 1.22   0.011% *  0.8436% (0.22   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    PHE   55  19.16 +/- 0.49   0.006% *  1.1695% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    PHE   55  19.88 +/- 0.81   0.005% *  1.1695% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   55  25.91 +/- 1.30   0.001% *  2.6027% (0.69   0.02   0.02) =   0.000%
    Distance limit 5.36 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 125 (0.58, 7.32, 132.31 ppm):
    7 chemical-shift based assignments, quality = 0.857, support = 0.0195, residual support = 0.0195:
          QD2   LEU  115 - QD    PHE   55   6.19 +/- 0.48  89.579% * 17.2492% (0.87   0.02   0.02) =  89.818%  kept
          QD1   LEU   63 - QD    PHE   55   9.65 +/- 0.55   6.779% * 19.8413% (1.00   0.02   0.02) =   7.819%  kept
          QD2   LEU   63 - QD    PHE   55  11.07 +/- 0.65   2.867% * 10.4622% (0.53   0.02   0.02) =   1.744%
          QD1   LEU   73 - QD    PHE   55  16.78 +/- 0.51   0.242% * 19.8413% (1.00   0.02   0.02) =   0.280%
        T QD2   LEU   80 - QD    PHE   55  17.70 +/- 0.61   0.175% * 16.6097% (0.84   0.02   0.02) =   0.169%
          QD1   LEU  104 - QD    PHE   55  17.48 +/- 0.43   0.188% * 12.0611% (0.61   0.02   0.02) =   0.132%
          QG1   VAL   83 - QD    PHE   55  17.91 +/- 0.95   0.169% *  3.9353% (0.20   0.02   0.02) =   0.039%
    Distance limit 5.50 A violated in 15 structures by 0.64 A, eliminated.
    Peak unassigned.
 
    Peak 126 (3.16, 7.33, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 0.02, residual support = 0.02:
          HB3   PHE   59 - QE    PHE   95   3.25 +/- 0.52  99.988% * 72.5341% (0.99   0.02   0.02) =  99.996%  kept
          HB3   TRP   49 - QE    PHE   95  15.45 +/- 0.85   0.012% * 27.4659% (0.38   0.02   0.02) =   0.004%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 128 (2.43, 7.33, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.276, support = 2.84, residual support = 40.3:
          HB    VAL  107 - QE    PHE   95   4.57 +/- 0.56  67.631% * 90.6870% (0.28   2.86  40.66) =  99.212%  kept
        T QE    LYS+ 112 - QE    PHE   95   5.55 +/- 0.56  25.352% *  1.5673% (0.69   0.02   0.02) =   0.643%
        T HB3   ASP-  62 - QE    PHE   95   7.27 +/- 0.43   4.854% *  1.2918% (0.57   0.02   0.02) =   0.101%
          HB3   PHE   45 - QE    PHE   95   8.59 +/- 0.41   1.505% *  1.5673% (0.69   0.02   1.89) =   0.038%
          HG3   MET   96 - QE    PHE   95   9.97 +/- 0.27   0.639% *  0.4515% (0.20   0.02  11.99) =   0.005%
          HB3   ASP-  86 - QE    PHE   95  19.09 +/- 0.60   0.012% *  2.1584% (0.95   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QE    PHE   95  21.24 +/- 0.76   0.007% *  2.2766% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 1 structures by 0.03 A, kept.
 
    Peak 129 (1.70, 7.33, 131.79 ppm):
    10 chemical-shift based assignments, quality = 0.526, support = 0.689, residual support = 1.0:
          QG1   ILE   56 - QE    PHE   95   1.76 +/- 0.10  99.957% * 75.6579% (0.53   0.69   1.00) =  99.999%  kept
          HG3   PRO   93 - QE    PHE   95   7.50 +/- 0.69   0.020% *  1.5674% (0.38   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QE    PHE   95   9.44 +/- 0.52   0.005% *  4.1670% (1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    PHE   95   9.36 +/- 1.00   0.006% *  3.3441% (0.80   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QE    PHE   95   9.25 +/- 0.80   0.006% *  2.8687% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    PHE   95   9.54 +/- 0.58   0.004% *  3.8552% (0.92   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    PHE   95  13.34 +/- 0.55   0.001% *  4.1762% (1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    PHE   95  12.90 +/- 0.31   0.001% *  1.7169% (0.41   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    PHE   95  14.49 +/- 0.73   0.000% *  1.7169% (0.41   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QE    PHE   95  16.62 +/- 0.87   0.000% *  0.9298% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 130 (1.17, 7.33, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 2.31, residual support = 40.7:
          QG2   VAL  107 - QE    PHE   95   3.18 +/- 0.54  96.574% * 97.1636% (0.69   2.31  40.66) =  99.984%  kept
          QG2   THR   94 - QE    PHE   95   6.02 +/- 0.27   2.555% *  0.4176% (0.34   0.02  14.26) =   0.011%
          HB3   LYS+ 112 - QE    PHE   95   7.96 +/- 0.54   0.613% *  0.4595% (0.38   0.02   0.02) =   0.003%
          HG13  ILE  103 - QE    PHE   95  12.05 +/- 0.34   0.052% *  1.2215% (1.00   0.02   0.02) =   0.001%
        T QB    ALA   20 - QE    PHE   95  10.31 +/- 0.62   0.155% *  0.1889% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QE    PHE   95  11.96 +/- 0.26   0.051% *  0.5489% (0.45   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 131 (0.58, 7.33, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.94, support = 1.19, residual support = 3.68:
          QD1   LEU   63 - QE    PHE   95   3.63 +/- 0.68  61.296% * 41.1452% (1.00   0.96   2.46) =  56.178%  kept
          QD2   LEU  115 - QE    PHE   95   4.08 +/- 0.33  35.022% * 56.1256% (0.87   1.50   5.25) =  43.784%  kept
          QD2   LEU   63 - QE    PHE   95   5.82 +/- 0.53   3.417% *  0.4539% (0.53   0.02   2.46) =   0.035%
          QD1   LEU   73 - QE    PHE   95  10.04 +/- 0.61   0.137% *  0.8608% (1.00   0.02   0.02) =   0.003%
          QD1   LEU  104 - QE    PHE   95  11.25 +/- 0.49   0.067% *  0.5233% (0.61   0.02   0.02) =   0.001%
        T QD2   LEU   80 - QE    PHE   95  12.75 +/- 0.49   0.034% *  0.7206% (0.84   0.02   0.02) =   0.001%
          QG1   VAL   83 - QE    PHE   95  13.24 +/- 0.62   0.027% *  0.1707% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 132 (0.41, 7.33, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 1.5, residual support = 5.24:
        T QD1   LEU  115 - QE    PHE   95   2.90 +/- 0.59  98.145% * 97.1001% (0.34   1.50   5.25) =  99.962%  kept
          QB    ALA   64 - QE    PHE   95   6.44 +/- 0.51   1.615% *  2.1488% (0.57   0.02   0.02) =   0.036%
          QG1   VAL   75 - QE    PHE   95   8.60 +/- 0.62   0.240% *  0.7511% (0.20   0.02   0.02) =   0.002%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 133 (7.62, 7.29, 132.36 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 1.11, residual support = 69.8:
      O   QE    PHE   60 - QD    PHE   60   2.23 +/- 0.00  98.642% * 96.2922% (0.84   1.11  69.81) =  99.995%  kept
          HN    LEU   63 - QD    PHE   60   4.78 +/- 0.51   1.357% *  0.3219% (0.15   0.02  12.09) =   0.005%
          HD21  ASN   28 - QD    PHE   60  15.80 +/- 0.24   0.001% *  1.5149% (0.73   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD    PHE   60  17.51 +/- 0.27   0.000% *  1.8710% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.80 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 = 3.73, residual support = 69.8:
      O T HB3   PHE   60 - QD    PHE   60   2.48 +/- 0.17  99.866% * 98.5307% (0.73   3.73  69.81) = 100.000%  kept
          QE    LYS+  65 - QD    PHE   60   8.76 +/- 0.51   0.061% *  0.1275% (0.18   0.02   0.02) =   0.000%
          QE    LYS+ 106 - QD    PHE   60  11.06 +/- 1.11   0.016% *  0.3829% (0.53   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    PHE   60   9.00 +/- 0.56   0.046% *  0.1123% (0.15   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   60  12.12 +/- 0.46   0.008% *  0.0985% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    PHE   60  16.32 +/- 0.36   0.001% *  0.4999% (0.69   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    PHE   60  17.99 +/- 0.24   0.001% *  0.2483% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.49 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 = 0.878, support = 0.0195, residual support = 0.426:
          QD2   LEU   73 - QD    PHE   60   6.43 +/- 0.54  56.173% * 24.7461% (0.84   0.02   0.76) =  55.068%  kept
          QD1   ILE   56 - QD    PHE   60   6.94 +/- 0.40  36.279% * 29.3642% (0.99   0.02   0.02) =  42.203%  kept
        T QG1   VAL   41 - QD    PHE   60   9.48 +/- 0.31   5.587% *  5.1885% (0.18   0.02   0.02) =   1.148%
          HG3   LYS+ 121 - QD    PHE   60  12.22 +/- 0.53   1.230% * 20.3506% (0.69   0.02   0.02) =   0.991%
          HG    LEU   31 - QD    PHE   60  13.44 +/- 0.69   0.731% * 20.3506% (0.69   0.02   0.02) =   0.590%
    Distance limit 5.05 A violated in 19 structures by 0.82 A, eliminated.
    Peak unassigned.
 
    Peak 139 (0.40, 7.29, 132.36 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 0.895, residual support = 0.895:
          QB    ALA   64 - QD    PHE   60   3.50 +/- 0.20 100.000% *100.0000% (0.95   0.90   0.90) = 100.000%  kept
    Distance limit 4.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 140 (8.40, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.09, residual support = 62.6:
          HN    PHE   97 - QD    PHE   97   2.92 +/- 0.32  99.891% * 99.3271% (0.97   4.09  62.60) = 100.000%  kept
          HN    LEU  115 - QD    PHE   97   9.71 +/- 0.29   0.094% *  0.4853% (0.97   0.02   0.02) =   0.000%
          HN    ASP- 113 - QD    PHE   97  13.08 +/- 0.22   0.015% *  0.0995% (0.20   0.02   0.02) =   0.000%
          HN    ALA   12 - QD    PHE   97  23.31 +/- 1.72   0.001% *  0.0881% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 141 (3.70, 7.13, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.657, support = 0.0196, residual support = 0.0196:
          HA    THR  118 - QD    PHE   97   6.41 +/- 0.27  61.786% * 16.5844% (0.61   0.02   0.02) =  57.603%  kept
          HA    ILE  119 - QD    PHE   97   7.09 +/- 0.30  34.221% * 20.8964% (0.76   0.02   0.02) =  40.199%  kept
          HA2   GLY  109 - QD    PHE   97  11.81 +/- 0.15   1.593% *  8.4394% (0.31   0.02   0.02) =   0.756%
          HA    VAL   75 - QD    PHE   97  13.04 +/- 0.30   0.894% * 14.3858% (0.53   0.02   0.02) =   0.723%
          HD3   PRO   58 - QD    PHE   97  12.21 +/- 0.26   1.312% *  7.6024% (0.28   0.02   0.02) =   0.561%
          HA    ALA   84 - QD    PHE   97  17.49 +/- 0.29   0.153% * 13.3093% (0.49   0.02   0.02) =   0.114%
          HB2   TRP   49 - QD    PHE   97  21.69 +/- 0.29   0.041% * 18.7822% (0.69   0.02   0.02) =   0.044%
    Distance limit 5.39 A violated in 17 structures by 0.55 A, eliminated.
    Peak unassigned.
 
    Peak 142 (2.98, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 2.44, residual support = 62.6:
      O T HB2   PHE   97 - QD    PHE   97   2.42 +/- 0.06  99.309% * 97.4912% (0.90   2.44  62.60) =  99.996%  kept
          QE    LYS+ 106 - QD    PHE   97   6.33 +/- 0.49   0.354% *  0.8440% (0.95   0.02  12.79) =   0.003%
          QE    LYS+  99 - QD    PHE   97   6.45 +/- 0.47   0.301% *  0.1766% (0.20   0.02   0.02) =   0.001%
          HB3   PHE   60 - QD    PHE   97   9.22 +/- 0.57   0.035% *  0.7144% (0.80   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   97  14.64 +/- 0.48   0.002% *  0.7739% (0.87   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 143 (2.36, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.74, residual support = 62.6:
      O T HB3   PHE   97 - QD    PHE   97   2.39 +/- 0.06  99.980% * 97.9268% (1.00   2.74  62.60) = 100.000%  kept
          HB2   GLU- 100 - QD    PHE   97  11.02 +/- 0.44   0.011% *  0.6419% (0.90   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD    PHE   97  12.13 +/- 0.23   0.006% *  0.6907% (0.97   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD    PHE   97  14.24 +/- 0.23   0.002% *  0.5197% (0.73   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD    PHE   97  17.08 +/- 0.47   0.001% *  0.2209% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.21 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 = 0.835, support = 0.987, residual support = 2.49:
          QG1   VAL  107 - QD    PHE   97   3.61 +/- 0.16  98.939% * 93.5561% (0.84   0.99   2.49) =  99.988%  kept
          HG13  ILE  119 - QD    PHE   97   7.99 +/- 0.47   0.947% *  0.9329% (0.41   0.02   0.02) =   0.010%
          HD3   LYS+ 112 - QD    PHE   97  14.00 +/- 0.83   0.033% *  2.2243% (0.98   0.02   0.02) =   0.001%
          HB3   LEU   31 - QD    PHE   97  12.65 +/- 0.64   0.059% *  1.0174% (0.45   0.02   0.02) =   0.001%
          QG1   VAL   24 - QD    PHE   97  14.96 +/- 0.97   0.022% *  2.2693% (1.00   0.02   0.02) =   0.001%
    Distance limit 5.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 145 (1.02, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 3.3, residual support = 17.8:
          HB2   LEU  104 - QD    PHE   97   3.78 +/- 0.09  97.422% * 98.1982% (0.69   3.30  17.84) =  99.983%  kept
          QD1   ILE  119 - QD    PHE   97   8.05 +/- 0.41   1.106% *  0.8200% (0.95   0.02   0.02) =   0.009%
          QG2   VAL  108 - QD    PHE   97   7.86 +/- 0.35   1.310% *  0.4561% (0.53   0.02   0.02) =   0.006%
          HB    VAL   75 - QD    PHE   97  11.12 +/- 0.69   0.163% *  0.5258% (0.61   0.02   0.02) =   0.001%
    Distance limit 5.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 146 (0.20, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.24, support = 0.02, residual support = 0.02:
          QG2   THR  118 - QD    PHE   97   3.34 +/- 0.24  80.357% * 36.7154% (0.20   0.02   0.02) =  70.357%  kept
          QG2   VAL   70 - QD    PHE   97   4.32 +/- 0.30  19.643% * 63.2846% (0.34   0.02   0.02) =  29.643%  kept
    Distance limit 5.44 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 147 (0.40, 7.13, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.993, support = 0.0199, residual support = 0.0199:
          QB    ALA   64 - QD    PHE   97   8.12 +/- 0.43  96.281% * 85.0969% (1.00   0.02   0.02) =  99.328%  kept
          QB    ALA   47 - QD    PHE   97  14.10 +/- 0.36   3.719% * 14.9031% (0.18   0.02   0.02) =   0.672%
    Distance limit 5.50 A violated in 20 structures by 2.62 A, eliminated.
    Peak unassigned.
 
    Peak 148 (8.40, 7.19, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 2.18, residual support = 25.4:
          HN    LEU  115 - QD    PHE   59   4.90 +/- 0.14  92.401% * 98.7460% (0.97   2.18  25.43) =  99.971%  kept
          HN    PHE   97 - QD    PHE   59   9.55 +/- 0.32   1.731% *  0.9044% (0.97   0.02   0.02) =   0.017%
          HN    ASP- 113 - QD    PHE   59   7.78 +/- 0.18   5.860% *  0.1855% (0.20   0.02   0.02) =   0.012%
          HN    ALA   12 - QD    PHE   59  24.19 +/- 1.54   0.007% *  0.1641% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 149 (4.37, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.606, support = 2.4, residual support = 55.1:
          HA    PHE   59 - QD    PHE   59   2.36 +/- 0.45  96.861% * 95.1680% (0.61   2.40  55.16) =  99.972%  kept
          HA    ILE   56 - QD    PHE   59   4.41 +/- 0.28   3.020% *  0.7936% (0.61   0.02  15.55) =   0.026%
          HA    ASP- 113 - QD    PHE   59   8.30 +/- 0.17   0.100% *  1.3055% (1.00   0.02   0.02) =   0.001%
          HA    LEU  123 - QD    PHE   59  10.82 +/- 0.47   0.016% *  0.6369% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD    PHE   59  15.01 +/- 0.32   0.003% *  1.0477% (0.80   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    PHE   59  19.24 +/- 0.62   0.001% *  0.8464% (0.65   0.02   0.02) =   0.000%
          HA    TRP   87 - QD    PHE   59  21.11 +/- 0.39   0.000% *  0.2019% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 150 (3.69, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.996, support = 1.47, residual support = 17.4:
        T HA    ILE  119 - QD    PHE   59   4.44 +/- 0.20  91.274% * 64.9744% (1.00   1.50  17.84) =  96.041%  kept
        T HA    THR  118 - QD    PHE   59   6.81 +/- 0.24   7.465% * 32.6532% (0.95   0.80   5.66) =   3.948%  kept
          HA2   GLY  109 - QD    PHE   59   9.34 +/- 0.45   1.080% *  0.5964% (0.69   0.02   0.02) =   0.010%
          HA    VAL   75 - QD    PHE   59  13.46 +/- 0.72   0.138% *  0.1718% (0.20   0.02   0.02) =   0.000%
          HB2   TRP   49 - QD    PHE   59  17.81 +/- 0.46   0.023% *  0.8511% (0.98   0.02   0.02) =   0.000%
          HA    ALA   84 - QD    PHE   59  18.36 +/- 0.48   0.019% *  0.7531% (0.87   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 151 (3.32, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 2.44, residual support = 55.2:
      O   HB2   PHE   59 - QD    PHE   59   2.58 +/- 0.07  99.749% * 97.5747% (0.97   2.44  55.16) =  99.999%  kept
          QB    PHE   55 - QD    PHE   59   7.48 +/- 0.39   0.180% *  0.6344% (0.76   0.02   0.02) =   0.001%
          HD3   PRO   93 - QD    PHE   59  10.73 +/- 0.44   0.020% *  0.5370% (0.65   0.02   0.02) =   0.000%
          HB3   CYS   53 - QD    PHE   59  10.24 +/- 0.57   0.027% *  0.3722% (0.45   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   59  11.81 +/- 0.68   0.012% *  0.5702% (0.69   0.02   0.02) =   0.000%
          HD2   ARG+  54 - QD    PHE   59  11.61 +/- 0.76   0.013% *  0.3115% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 152 (3.17, 7.19, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 2.86, residual support = 55.2:
      O   HB3   PHE   59 - QD    PHE   59   2.56 +/- 0.13  99.999% * 99.7768% (0.97   2.86  55.16) = 100.000%  kept
          HB3   TRP   49 - QD    PHE   59  17.85 +/- 0.94   0.001% *  0.2232% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.02 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 = 0.837, support = 0.02, residual support = 19.7:
          HB2   PRO   58 - QD    PHE   59   7.21 +/- 0.09  42.262% * 31.0944% (0.99   0.02  37.72) =  52.156%  kept
          HB2   GLN  116 - QD    PHE   59   6.99 +/- 0.31  50.436% * 20.2947% (0.65   0.02   0.02) =  40.625%  kept
          HB3   PHE   97 - QD    PHE   59   9.68 +/- 0.26   7.146% * 25.1208% (0.80   0.02   0.02) =   7.125%  kept
          HB2   GLU- 100 - QD    PHE   59  18.75 +/- 0.41   0.135% * 16.5055% (0.53   0.02   0.02) =   0.088%
          HG3   GLU-  25 - QD    PHE   59  25.64 +/- 0.70   0.021% *  6.9845% (0.22   0.02   0.02) =   0.006%
    Distance limit 5.50 A violated in 20 structures by 0.73 A, eliminated.
    Peak unassigned.
 
    Peak 154 (1.72, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 1.74, residual support = 15.5:
        T QG1   ILE   56 - QD    PHE   59   2.90 +/- 0.61  99.784% * 96.8651% (0.97   1.74  15.55) =  99.999%  kept
          QD    LYS+ 106 - QD    PHE   59  10.24 +/- 0.46   0.108% *  0.3942% (0.34   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD    PHE   59  14.24 +/- 0.70   0.015% *  1.1530% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD    PHE   59  12.05 +/- 0.70   0.061% *  0.2287% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD    PHE   59  12.78 +/- 0.42   0.027% *  0.4337% (0.38   0.02   0.02) =   0.000%
          HB    ILE   89 - QD    PHE   59  17.00 +/- 0.45   0.005% *  0.9253% (0.80   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 155 (1.44, 7.19, 131.79 ppm):
    13 chemical-shift based assignments, quality = 0.611, support = 2.28, residual support = 25.4:
          HB3   LEU  115 - QD    PHE   59   2.09 +/- 0.79  79.876% * 70.5671% (0.65   2.22  25.43) =  92.634%  kept
          HG    LEU  115 - QD    PHE   59   3.44 +/- 1.01  19.932% * 22.4796% (0.15   2.97  25.43) =   7.364%  kept
          QB    ALA   61 - QD    PHE   59   5.97 +/- 0.13   0.066% *  0.6739% (0.69   0.02   0.92) =   0.001%
          QG    LYS+  66 - QD    PHE   59   6.76 +/- 0.87   0.042% *  0.9467% (0.97   0.02   0.02) =   0.001%
          QB    ALA  110 - QD    PHE   59   6.26 +/- 0.44   0.056% *  0.4398% (0.45   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    PHE   59   9.21 +/- 1.24   0.009% *  0.5161% (0.53   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    PHE   59   9.80 +/- 0.62   0.004% *  0.8194% (0.84   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    PHE   59   7.72 +/- 0.18   0.014% *  0.1514% (0.15   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    PHE   59  10.93 +/- 0.35   0.002% *  0.6346% (0.65   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    PHE   59  12.62 +/- 0.66   0.001% *  0.9788% (1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    PHE   59  15.20 +/- 0.81   0.000% *  0.3682% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   59  18.66 +/- 1.08   0.000% *  0.9467% (0.97   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    PHE   59  18.12 +/- 1.14   0.000% *  0.4775% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 156 (1.10, 7.19, 131.79 ppm):
    5 chemical-shift based assignments, quality = 0.45, support = 2.49, residual support = 16.3:
        T HG13  ILE  119 - QD    PHE   59   2.85 +/- 0.31  77.774% * 70.9398% (0.41   2.69  17.84) =  90.714%  kept
        T QG1   VAL  107 - QD    PHE   59   3.60 +/- 0.20  21.744% * 25.9451% (0.84   0.48   1.21) =   9.276%  kept
          HD3   LYS+ 112 - QD    PHE   59   7.07 +/- 0.76   0.480% *  1.2573% (0.98   0.02   0.02) =   0.010%
          QG1   VAL   24 - QD    PHE   59  17.31 +/- 1.12   0.002% *  1.2827% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    PHE   59  18.08 +/- 0.79   0.001% *  0.5751% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.84 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 = 0.885, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - QD    PHE   59   8.18 +/- 0.46  66.616% * 60.0043% (0.98   0.02   0.02) =  84.725%  kept
          HG3   LYS+ 121 - QD    PHE   59   9.64 +/- 0.33  25.598% * 22.9752% (0.38   0.02   0.02) =  12.466%  kept
          HB3   LEU  104 - QD    PHE   59  11.71 +/- 0.29   7.787% * 17.0205% (0.28   0.02   0.02) =   2.809%  kept
    Distance limit 5.50 A violated in 20 structures by 2.12 A, eliminated.
    Peak unassigned.
 
    Peak 158 (0.59, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.971, support = 3.43, residual support = 21.4:
          QD2   LEU  115 - QD    PHE   59   2.44 +/- 0.46  56.420% * 75.6414% (0.98   3.87  25.43) =  83.293%  kept
          QD1   LEU   63 - QD    PHE   59   2.69 +/- 0.35  37.160% * 23.0127% (0.92   1.25   1.00) =  16.690%  kept
          QD2   LEU   63 - QD    PHE   59   3.67 +/- 0.54   6.403% *  0.1362% (0.34   0.02   1.00) =   0.017%
          QD1   LEU  104 - QD    PHE   59  10.66 +/- 0.31   0.010% *  0.3197% (0.80   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD    PHE   59  11.88 +/- 0.58   0.004% *  0.3685% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD    PHE   59  15.08 +/- 0.63   0.001% *  0.3853% (0.97   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD    PHE   59  15.46 +/- 0.80   0.001% *  0.1362% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 159 (0.43, 7.19, 131.79 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 3.86, residual support = 25.4:
        T QD1   LEU  115 - QD    PHE   59   2.59 +/- 0.61  99.233% * 99.5052% (0.84   3.86  25.43) =  99.999%  kept
          QB    ALA   64 - QD    PHE   59   6.66 +/- 0.37   0.730% *  0.0953% (0.15   0.02   0.02) =   0.001%
          QG1   VAL   75 - QD    PHE   59  10.99 +/- 0.71   0.036% *  0.3995% (0.65   0.02   0.02) =   0.000%
    Distance limit 5.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 160 (4.14, 7.26, 128.86 ppm):
    8 chemical-shift based assignments, quality = 0.726, support = 1.5, residual support = 25.4:
        T HA    LEU  115 - QE    PHE   59   2.40 +/- 0.36  99.685% * 92.0461% (0.73   1.50  25.43) =  99.995%  kept
          HA    GLU- 114 - QE    PHE   59   6.77 +/- 0.45   0.266% *  1.6864% (1.00   0.02   0.02) =   0.005%
          HA    CYS   53 - QE    PHE   59  10.34 +/- 0.62   0.032% *  0.2960% (0.18   0.02   0.02) =   0.000%
        T HA    ARG+  54 - QE    PHE   59  11.68 +/- 0.25   0.012% *  0.3345% (0.20   0.02   0.02) =   0.000%
          HA    ALA   34 - QE    PHE   59  16.20 +/- 0.75   0.002% *  1.4661% (0.87   0.02   0.02) =   0.000%
          HA1   GLY  101 - QE    PHE   59  16.41 +/- 0.70   0.002% *  1.6567% (0.98   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    PHE   59  19.10 +/- 1.20   0.001% *  1.1610% (0.69   0.02   0.02) =   0.000%
          HA    THR   26 - QE    PHE   59  21.30 +/- 1.04   0.000% *  1.3533% (0.80   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 161 (3.88, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 1.85, residual support = 5.66:
        T HB    THR  118 - QE    PHE   59   2.34 +/- 0.38  99.996% * 97.4924% (0.95   1.85   5.66) = 100.000%  kept
          HB    THR   39 - QE    PHE   59  15.17 +/- 0.75   0.002% *  0.5002% (0.45   0.02   0.02) =   0.000%
          HA    ILE   89 - QE    PHE   59  17.58 +/- 0.76   0.001% *  0.6767% (0.61   0.02   0.02) =   0.000%
          HB3   SER   37 - QE    PHE   59  17.62 +/- 0.66   0.001% *  0.6767% (0.61   0.02   0.02) =   0.000%
          QB    SER   13 - QE    PHE   59  19.54 +/- 1.04   0.000% *  0.4587% (0.41   0.02   0.02) =   0.000%
          HB3   SER   82 - QE    PHE   59  21.79 +/- 1.16   0.000% *  0.1954% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 162 (2.42, 7.26, 128.86 ppm):
    7 chemical-shift based assignments, quality = 0.799, support = 0.684, residual support = 1.21:
          HB    VAL  107 - QE    PHE   59   3.72 +/- 0.56  91.569% * 88.8679% (0.80   0.68   1.21) =  99.809%  kept
          QE    LYS+ 112 - QE    PHE   59   6.68 +/- 0.46   4.086% *  3.2335% (1.00   0.02   0.02) =   0.162%
          HB3   ASP-  62 - QE    PHE   59   6.40 +/- 0.65   4.170% *  0.4386% (0.14   0.02   6.44) =   0.022%
          HB3   PHE   45 - QE    PHE   59  11.57 +/- 0.85   0.162% *  3.2335% (1.00   0.02   0.02) =   0.006%
          QG    GLN   32 - QE    PHE   59  19.22 +/- 1.01   0.007% *  0.8081% (0.25   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QE    PHE   59  21.50 +/- 1.01   0.003% *  1.4529% (0.45   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QE    PHE   59  23.07 +/- 1.08   0.002% *  1.9656% (0.61   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 163 (2.27, 7.26, 128.86 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 3.81, residual support = 17.8:
          HG12  ILE  119 - QE    PHE   59   3.20 +/- 0.68  95.981% * 95.8213% (0.73   3.81  17.84) =  99.970%  kept
          HB2   ASP-  44 - QE    PHE   59   7.76 +/- 1.31   3.622% *  0.6869% (0.99   0.02   0.02) =   0.027%
          HB3   PHE   72 - QE    PHE   59   9.62 +/- 1.04   0.334% *  0.6915% (1.00   0.02   0.02) =   0.003%
          QG    GLU-  15 - QE    PHE   59  14.64 +/- 0.99   0.019% *  0.6556% (0.95   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    PHE   59  14.11 +/- 1.08   0.028% *  0.1728% (0.25   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    PHE   59  17.54 +/- 0.81   0.006% *  0.6793% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   59  18.10 +/- 1.27   0.006% *  0.6915% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   59  20.97 +/- 1.09   0.002% *  0.2364% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   59  23.28 +/- 1.70   0.001% *  0.3646% (0.53   0.02   0.02) =   0.000%
    Distance limit 5.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 164 (1.11, 7.26, 128.86 ppm):
    6 chemical-shift based assignments, quality = 0.652, support = 2.78, residual support = 11.7:
          HG13  ILE  119 - QE    PHE   59   2.34 +/- 0.52  30.543% * 78.1734% (0.73   3.65  17.84) =  63.038%  kept
          QG1   VAL  107 - QE    PHE   59   1.95 +/- 0.19  69.442% * 20.1606% (0.53   1.30   1.21) =  36.962%  kept
          HD3   LYS+ 112 - QE    PHE   59   8.47 +/- 0.88   0.013% *  0.5575% (0.95   0.02   0.02) =   0.000%
          QB    ALA   20 - QE    PHE   59  13.27 +/- 0.92   0.001% *  0.1470% (0.25   0.02   0.02) =   0.000%
          QG1   VAL   24 - QE    PHE   59  17.28 +/- 1.43   0.000% *  0.5112% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   31 - QE    PHE   59  17.28 +/- 1.17   0.000% *  0.4504% (0.76   0.02   0.02) =   0.000%
    Distance limit 5.26 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 = 0.706, support = 1.89, residual support = 13.9:
        T QD2   LEU  115 - QE    PHE   59   3.07 +/- 0.44  16.041% * 83.4360% (0.87   2.86  25.43) =  52.718%  kept
        T QD1   LEU   63 - QE    PHE   59   2.23 +/- 0.27  83.924% * 14.3030% (0.53   0.81   1.00) =  47.281%  kept
        T QD1   LEU  104 - QE    PHE   59   9.07 +/- 0.35   0.024% *  0.6714% (1.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - QE    PHE   59  11.61 +/- 0.96   0.006% *  0.3540% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   80 - QE    PHE   59  15.20 +/- 0.97   0.001% *  0.6035% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   83 - QE    PHE   59  15.38 +/- 1.03   0.001% *  0.5143% (0.76   0.02   0.02) =   0.000%
          QG2   ILE   89 - QE    PHE   59  12.89 +/- 0.63   0.003% *  0.1178% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 166 (0.42, 7.26, 128.86 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 2.96, residual support = 25.4:
          QD1   LEU  115 - QE    PHE   59   4.28 +/- 0.47  94.123% * 98.9161% (0.45   2.96  25.43) =  99.959%  kept
          QB    ALA   64 - QE    PHE   59   7.32 +/- 0.52   5.456% *  0.6690% (0.45   0.02   0.02) =   0.039%
          QG1   VAL   75 - QE    PHE   59  11.25 +/- 0.94   0.421% *  0.4149% (0.28   0.02   0.02) =   0.002%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 167 (0.24, 7.26, 128.86 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 1.98, residual support = 5.66:
          QG2   THR  118 - QE    PHE   59   2.41 +/- 0.31 100.000% *100.0000% (0.80   1.98   5.66) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 168 (7.28, 7.63, 131.92 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 1.1, residual support = 69.8:
      O   QD    PHE   60 - QE    PHE   60   2.23 +/- 0.00  96.854% * 96.8070% (0.99   1.11  69.81) =  99.983%  kept
          QE    PHE   59 - QE    PHE   60   6.19 +/- 1.55   3.112% *  0.4914% (0.28   0.02  16.69) =   0.016%
          HN    LYS+  66 - QE    PHE   60   8.54 +/- 0.45   0.033% *  1.3508% (0.76   0.02   0.02) =   0.000%
          HN    LYS+  81 - QE    PHE   60  15.55 +/- 0.50   0.001% *  1.3508% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 0.818, support = 1.13, residual support = 4.45:
          HB3   PHE   72 - QE    PHE   60   3.23 +/- 0.95  32.425% * 65.5717% (0.87   1.48   5.88) =  51.848%  kept
          HB2   ASP-  44 - QE    PHE   60   2.62 +/- 0.44  67.456% * 29.2711% (0.76   0.75   2.92) =  48.150%  kept
          HG12  ILE  119 - QE    PHE   60  10.00 +/- 0.73   0.031% *  1.0011% (0.98   0.02   0.02) =   0.001%
          QG    GLU-  15 - QE    PHE   60  10.40 +/- 1.07   0.033% *  0.6607% (0.65   0.02   0.02) =   0.001%
          HB2   ASP- 105 - QE    PHE   60  10.01 +/- 0.92   0.036% *  0.2274% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   60  12.77 +/- 1.14   0.007% *  0.8179% (0.80   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    PHE   60  13.41 +/- 0.99   0.005% *  0.5783% (0.57   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   60  13.83 +/- 0.43   0.004% *  0.7016% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    PHE   60  15.06 +/- 0.67   0.002% *  0.9428% (0.92   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   60  19.31 +/- 1.41   0.001% *  0.2274% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 170 (1.38, 7.63, 131.92 ppm):
    14 chemical-shift based assignments, quality = 0.996, support = 1.9, residual support = 6.24:
          HB    VAL   42 - QE    PHE   60   3.84 +/- 0.68  70.715% * 60.3455% (1.00   1.94   6.58) =  94.199%  kept
          HB3   LEU   73 - QE    PHE   60   5.82 +/- 0.18   7.352% * 35.2077% (0.98   1.15   0.76) =   5.714%  kept
          HB3   LYS+  74 - QE    PHE   60   4.90 +/- 0.62  18.634% *  0.1552% (0.25   0.02   0.02) =   0.064%
          HG3   LYS+  65 - QE    PHE   60   9.17 +/- 0.51   0.514% *  0.6210% (1.00   0.02   0.02) =   0.007%
          HG3   LYS+ 106 - QE    PHE   60   9.47 +/- 0.93   0.542% *  0.5199% (0.84   0.02   0.02) =   0.006%
          QB    LEU   98 - QE    PHE   60   9.17 +/- 0.44   0.537% *  0.3030% (0.49   0.02   0.02) =   0.004%
          HB3   PRO   93 - QE    PHE   60   9.04 +/- 0.69   0.608% *  0.1730% (0.28   0.02   0.02) =   0.002%
          HG    LEU   98 - QE    PHE   60   8.88 +/- 1.07   0.785% *  0.1090% (0.18   0.02   0.02) =   0.002%
          HG3   LYS+  33 - QE    PHE   60  12.83 +/- 0.59   0.066% *  0.6210% (1.00   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - QE    PHE   60  14.21 +/- 0.35   0.036% *  0.5745% (0.92   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    PHE   60  12.37 +/- 0.99   0.096% *  0.1386% (0.22   0.02   0.02) =   0.000%
        T QB    ALA   84 - QE    PHE   60  12.28 +/- 0.35   0.079% *  0.1552% (0.25   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    PHE   60  15.80 +/- 1.30   0.022% *  0.4757% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QE    PHE   60  16.61 +/- 0.61   0.014% *  0.6007% (0.97   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 171 (0.81, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.534, support = 0.02, residual support = 0.02:
        T QD1   ILE   56 - QE    PHE   60   8.43 +/- 0.41  79.972% * 10.7137% (0.20   0.02   0.02) =  48.493%  kept
          QD2   LEU  123 - QE    PHE   60  11.79 +/- 0.49  11.506% * 49.9748% (0.92   0.02   0.02) =  32.545%  kept
          HG3   LYS+ 121 - QE    PHE   60  12.31 +/- 0.74   8.522% * 39.3116% (0.73   0.02   0.02) =  18.962%  kept
    Distance limit 5.50 A violated in 20 structures by 2.61 A, eliminated.
    Peak unassigned.
 
    Peak 172 (0.39, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.36, support = 1.97, residual support = 6.37:
          QG1   VAL   42 - QE    PHE   60   2.00 +/- 0.28  97.564% * 38.8220% (0.34   2.00   6.58) =  96.255%  kept
          QB    ALA   64 - QE    PHE   60   4.03 +/- 0.29   2.429% * 60.6678% (0.84   1.28   0.90) =   3.745%  kept
          QB    ALA   47 - QE    PHE   60  10.40 +/- 0.38   0.007% *  0.5103% (0.45   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 173 (2.28, 7.29, 132.36 ppm):
    9 chemical-shift based assignments, quality = 0.858, support = 2.01, residual support = 3.18:
          HB2   ASP-  44 - QD    PHE   60   2.86 +/- 0.34  91.027% * 48.3909% (0.87   1.98   2.92) =  91.121%  kept
          HB3   PHE   72 - QD    PHE   60   4.59 +/- 0.76   8.700% * 49.3281% (0.76   2.30   5.88) =   8.878%  kept
          HG12  ILE  119 - QD    PHE   60   8.34 +/- 0.66   0.208% *  0.1918% (0.34   0.02   0.02) =   0.001%
          QG    GLU-  15 - QD    PHE   60  11.07 +/- 0.91   0.035% *  0.5319% (0.95   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD    PHE   60  13.27 +/- 1.13   0.011% *  0.4697% (0.84   0.02   0.02) =   0.000%
          QG    GLN   90 - QD    PHE   60  15.35 +/- 0.64   0.004% *  0.3863% (0.69   0.02   0.02) =   0.000%
          HG2   MET   92 - QD    PHE   60  13.01 +/- 0.64   0.012% *  0.0985% (0.18   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   60  19.78 +/- 1.57   0.001% *  0.5043% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QD    PHE   60  19.43 +/- 0.93   0.001% *  0.0985% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 174 (6.98, 6.69, 132.41 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.86, residual support = 83.8:
      O   QE    PHE   72 - QD    PHE   72   2.23 +/- 0.00  99.997% * 99.2834% (0.87   2.86  83.76) = 100.000%  kept
          HD22  ASN   28 - QD    PHE   72  15.67 +/- 0.33   0.001% *  0.5172% (0.65   0.02   0.02) =   0.000%
          HN    ALA   47 - QD    PHE   72  13.76 +/- 0.37   0.002% *  0.1994% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 175 (7.30, 6.69, 132.41 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 2.0, residual support = 5.88:
          QD    PHE   60 - QD    PHE   72   3.09 +/- 0.43  98.040% * 97.8034% (0.76   2.00   5.88) =  99.993%  kept
          HN    LYS+  66 - QD    PHE   72   6.34 +/- 0.27   1.805% *  0.3558% (0.28   0.02   0.02) =   0.007%
          HE3   TRP   27 - QD    PHE   72   9.79 +/- 0.29   0.137% *  0.3191% (0.25   0.02   0.02) =   0.000%
          QD    PHE   55 - QD    PHE   72  13.81 +/- 0.55   0.016% *  0.2533% (0.20   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD    PHE   72  18.54 +/- 0.29   0.003% *  1.2684% (0.99   0.02   0.02) =   0.000%
    Distance limit 5.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 176 (7.60, 6.69, 132.41 ppm):
    7 chemical-shift based assignments, quality = 0.175, support = 2.31, residual support = 5.88:
          QE    PHE   60 - QD    PHE   72   2.61 +/- 0.49  98.109% * 84.4425% (0.18   2.31   5.88) =  99.924%  kept
          HN    LEU   63 - QD    PHE   72   5.54 +/- 0.34   1.861% *  3.3417% (0.80   0.02  19.08) =   0.075%
          HN    ILE   56 - QD    PHE   72  12.20 +/- 0.41   0.015% *  2.8666% (0.69   0.02   0.02) =   0.001%
          HD21  ASN   28 - QD    PHE   72  14.93 +/- 0.24   0.004% *  3.7427% (0.90   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD    PHE   72  14.02 +/- 0.48   0.007% *  1.2881% (0.31   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD    PHE   72  18.40 +/- 0.38   0.001% *  3.0304% (0.73   0.02   0.02) =   0.000%
          HN    ALA   84 - QD    PHE   72  17.68 +/- 0.26   0.002% *  1.2881% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 177 (9.36, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.46, residual support = 83.8:
          HN    PHE   72 - QD    PHE   72   2.64 +/- 0.22  99.970% * 99.8185% (0.98   5.46  83.76) = 100.000%  kept
          HN    LEU  104 - QD    PHE   72  10.57 +/- 0.39   0.030% *  0.1815% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 178 (6.70, 6.99, 130.46 ppm):
    3 chemical-shift based assignments, quality = 0.711, support = 2.29, residual support = 83.8:
      O T QD    PHE   72 - QE    PHE   72   2.23 +/- 0.00  46.806% * 71.7595% (0.69   2.86  83.76) =  69.367%  kept
      O T HZ    PHE   72 - QE    PHE   72   2.18 +/- 0.00  53.191% * 27.8853% (0.76   1.00  83.76) =  30.633%  kept
          QE    PHE   45 - QE    PHE   72  10.80 +/- 0.44   0.004% *  0.3552% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 179 (7.30, 6.99, 130.46 ppm):
    5 chemical-shift based assignments, quality = 0.717, support = 0.765, residual support = 5.32:
          QD    PHE   60 - QE    PHE   72   3.77 +/- 0.62  80.386% * 67.0963% (0.76   0.75   5.88) =  90.373%  kept
          HN    LYS+  66 - QE    PHE   72   5.02 +/- 0.41  19.450% * 29.5361% (0.28   0.91   0.02) =   9.626%  kept
          HE3   TRP   27 - QE    PHE   72  11.69 +/- 0.30   0.113% *  0.5838% (0.25   0.02   0.02) =   0.001%
          QD    PHE   55 - QE    PHE   72  13.49 +/- 0.70   0.046% *  0.4633% (0.20   0.02   0.02) =   0.000%
          HN    LYS+  81 - QE    PHE   72  20.40 +/- 0.32   0.004% *  2.3205% (0.99   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 180 (6.99, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 1.0, residual support = 83.8:
      O   QE    PHE   72 - HZ    PHE   72   2.18 +/- 0.00 100.000% * 98.2767% (1.00   1.00  83.76) = 100.000%  kept
          HN    ALA   47 - HZ    PHE   72  17.81 +/- 0.51   0.000% *  1.1153% (0.57   0.02   0.02) =   0.000%
          HD22  ASN   28 - HZ    PHE   72  20.35 +/- 0.36   0.000% *  0.6080% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 4.47, residual support = 83.8:
          HA    PHE   72 - QD    PHE   72   2.70 +/- 0.26  99.925% * 99.8301% (0.90   4.47  83.76) = 100.000%  kept
          HA    MET   96 - QD    PHE   72   9.34 +/- 0.48   0.075% *  0.1699% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 182 (4.83, 6.69, 132.41 ppm):
    5 chemical-shift based assignments, quality = 0.348, support = 0.02, residual support = 0.02:
          HA    PHE   45 - QD    PHE   72  10.17 +/- 0.35  83.167% *  9.9133% (0.22   0.02   0.02) =  69.688%  kept
          HA    THR   23 - QD    PHE   72  16.07 +/- 0.17   5.418% * 28.8048% (0.65   0.02   0.02) =  13.191%  kept
          HA    ASP-  78 - QD    PHE   72  17.89 +/- 0.22   2.820% * 41.1037% (0.92   0.02   0.02) =   9.798%  kept
          HA    LEU   80 - QD    PHE   72  16.72 +/- 0.33   4.279% * 12.3802% (0.28   0.02   0.02) =   4.478%  kept
          HB    THR   23 - QD    PHE   72  16.70 +/- 0.18   4.316% *  7.7981% (0.18   0.02   0.02) =   2.845%  kept
    Distance limit 5.50 A violated in 20 structures by 4.36 A, eliminated.
    Peak unassigned.
 
    Peak 183 (2.85, 6.69, 132.41 ppm):
    4 chemical-shift based assignments, quality = 0.635, support = 3.26, residual support = 57.5:
        T HA    ALA   64 - QD    PHE   72   3.04 +/- 0.39  28.993% * 78.4558% (0.92   2.96  40.29) =  60.299%  kept
      O T HB2   PHE   72 - QD    PHE   72   2.55 +/- 0.20  70.981% * 21.0983% (0.20   3.71  83.76) =  39.700%  kept
          QE    LYS+  66 - QD    PHE   72   9.79 +/- 0.39   0.023% *  0.1434% (0.25   0.02   0.02) =   0.000%
          HB3   ASN   35 - QD    PHE   72  14.01 +/- 0.42   0.003% *  0.3025% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.66 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 = 4.65, residual support = 83.8:
      O T HB3   PHE   72 - QD    PHE   72   2.46 +/- 0.18  98.798% * 97.5149% (0.98   4.65  83.76) =  99.995%  kept
          HB2   ASP-  44 - QD    PHE   72   5.76 +/- 0.56   0.861% *  0.3951% (0.92   0.02   0.02) =   0.004%
          QG    GLU-  15 - QD    PHE   72   7.39 +/- 1.34   0.301% *  0.3575% (0.84   0.02   0.02) =   0.001%
          HG12  ILE  119 - QD    PHE   72  10.50 +/- 0.64   0.019% *  0.3712% (0.87   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD    PHE   72  11.15 +/- 0.98   0.015% *  0.4048% (0.95   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD    PHE   72  13.80 +/- 0.52   0.003% *  0.2083% (0.49   0.02   0.02) =   0.000%
          QG    GLN   90 - QD    PHE   72  18.38 +/- 0.65   0.001% *  0.4270% (1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   72  16.75 +/- 1.43   0.001% *  0.1606% (0.38   0.02   0.02) =   0.000%
          HG3   MET   92 - QD    PHE   72  17.05 +/- 0.80   0.001% *  0.1606% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.93 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 = 0.797, support = 1.06, residual support = 7.39:
        T HB    VAL   42 - QD    PHE   72   3.08 +/- 0.73  96.690% * 16.6469% (0.80   0.88   6.13) =  95.085%  kept
          HB3   LEU   73 - QD    PHE   72   7.21 +/- 0.17   1.028% * 80.1519% (0.73   4.65  31.98) =   4.869%  kept
          HG3   LYS+  65 - QD    PHE   72   7.33 +/- 0.41   1.062% *  0.3802% (0.80   0.02   0.02) =   0.024%
          HB3   LYS+  74 - QD    PHE   72   7.84 +/- 0.38   0.730% *  0.2688% (0.57   0.02   0.02) =   0.012%
          QB    LEU   98 - QD    PHE   72   9.15 +/- 0.42   0.221% *  0.3966% (0.84   0.02   0.02) =   0.005%
          HG3   LYS+  33 - QD    PHE   72  10.74 +/- 1.08   0.131% *  0.4119% (0.87   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - QD    PHE   72  11.48 +/- 0.93   0.056% *  0.2311% (0.49   0.02   0.02) =   0.001%
          QB    ALA   12 - QD    PHE   72  13.68 +/- 1.14   0.024% *  0.4706% (0.99   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QD    PHE   72  12.90 +/- 0.79   0.031% *  0.2498% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD    PHE   72  16.14 +/- 0.64   0.008% *  0.3261% (0.69   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QD    PHE   72  16.17 +/- 0.41   0.009% *  0.2880% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    PHE   72  15.26 +/- 0.28   0.012% *  0.1782% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 186 (1.00, 6.69, 132.41 ppm):
    8 chemical-shift based assignments, quality = 0.41, support = 1.5, residual support = 35.0:
        T QD1   LEU   67 - QD    PHE   72   4.08 +/- 0.67  83.157% * 91.4314% (0.41   1.50  35.09) =  99.714%  kept
          QD2   LEU   40 - QD    PHE   72   5.94 +/- 0.36  11.920% *  1.3295% (0.45   0.02   0.02) =   0.208%
        T QD1   ILE  119 - QD    PHE   72   8.37 +/- 0.69   1.536% *  1.5601% (0.53   0.02   0.02) =   0.031%
          HB    VAL   75 - QD    PHE   72   9.92 +/- 0.64   0.548% *  2.9066% (0.98   0.02   0.02) =   0.021%
          HG3   LYS+  74 - QD    PHE   72   8.26 +/- 0.76   1.760% *  0.6602% (0.22   0.02   0.02) =   0.015%
          HB2   LEU  104 - QD    PHE   72   9.65 +/- 0.42   0.638% *  0.7394% (0.25   0.02   0.02) =   0.006%
          QG2   ILE  103 - QD    PHE   72  10.63 +/- 0.34   0.348% *  0.9152% (0.31   0.02   0.02) =   0.004%
          QG2   VAL  108 - QD    PHE   72  13.31 +/- 0.48   0.093% *  0.4575% (0.15   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 187 (0.79, 6.69, 132.41 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 5.25, residual support = 32.0:
          QD2   LEU   73 - QD    PHE   72   4.40 +/- 0.26  77.739% * 98.8922% (0.95   5.26  31.98) =  99.974%  kept
          QG1   VAL   43 - QD    PHE   72   5.89 +/- 0.31  14.183% *  0.0614% (0.15   0.02   0.02) =   0.011%
          QG1   VAL   41 - QD    PHE   72   6.65 +/- 0.35   7.114% *  0.1106% (0.28   0.02   0.02) =   0.010%
          QD1   ILE   56 - QD    PHE   72  10.14 +/- 0.34   0.549% *  0.3943% (0.99   0.02   0.02) =   0.003%
          HG    LEU   31 - QD    PHE   72  11.68 +/- 0.77   0.274% *  0.3323% (0.84   0.02   0.02) =   0.001%
          HG3   LYS+ 121 - QD    PHE   72  12.72 +/- 0.51   0.141% *  0.2093% (0.53   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 188 (0.41, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.85, residual support = 40.3:
        T QB    ALA   64 - QD    PHE   72   2.31 +/- 0.36  99.965% * 99.9099% (0.80   4.85  40.29) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   72   9.56 +/- 0.53   0.035% *  0.0901% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (0.20, 6.69, 132.41 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 4.37, residual support = 41.7:
        T QG2   VAL   70 - QD    PHE   72   2.79 +/- 0.45 100.000% *100.0000% (0.65   4.37  41.74) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 190 (2.86, 6.99, 130.46 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 4.06, residual support = 40.3:
        T HA    ALA   64 - QE    PHE   72   2.77 +/- 0.36  99.819% * 97.7029% (0.38   4.06  40.29) =  99.998%  kept
          QE    LYS+  66 - QE    PHE   72   8.30 +/- 0.44   0.176% *  1.0265% (0.80   0.02   0.02) =   0.002%
          HB3   ASN   35 - QE    PHE   72  14.93 +/- 0.51   0.005% *  1.2706% (0.99   0.02   0.02) =   0.000%
    Distance limit 5.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 191 (2.21, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.18, residual support = 41.7:
        T HB    VAL   70 - QE    PHE   72   1.98 +/- 0.26  99.935% * 98.2487% (0.99   4.18  41.74) = 100.000%  kept
        T QG    GLN   17 - QE    PHE   72   8.24 +/- 0.35   0.033% *  0.4581% (0.97   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    PHE   72   8.86 +/- 0.52   0.017% *  0.3965% (0.84   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    PHE   72   9.96 +/- 0.67   0.009% *  0.0732% (0.15   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   72  12.64 +/- 0.63   0.002% *  0.1781% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QE    PHE   72  12.69 +/- 1.09   0.004% *  0.0732% (0.15   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QE    PHE   72  15.73 +/- 0.60   0.001% *  0.1465% (0.31   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QE    PHE   72  19.77 +/- 0.34   0.000% *  0.4257% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 192 (1.99, 6.99, 130.46 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 2.96, residual support = 35.1:
        T HB2   LEU   67 - QE    PHE   72   2.39 +/- 0.41  97.932% * 93.3029% (0.45   2.96  35.09) =  99.991%  kept
          HB    VAL   18 - QE    PHE   72   5.45 +/- 0.89   1.629% *  0.3134% (0.22   0.02   6.69) =   0.006%
          HG2   PRO   68 - QE    PHE   72   7.76 +/- 0.69   0.186% *  1.1271% (0.80   0.02   0.02) =   0.002%
          HB    ILE   19 - QE    PHE   72   8.52 +/- 0.29   0.074% *  1.0221% (0.73   0.02   0.02) =   0.001%
          QB    GLU-  15 - QE    PHE   72   8.95 +/- 0.98   0.089% *  0.2465% (0.18   0.02   0.02) =   0.000%
          HB2   LEU  115 - QE    PHE   72  11.24 +/- 0.47   0.013% *  1.1757% (0.84   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    PHE   72   8.82 +/- 0.34   0.061% *  0.2465% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   58 - QE    PHE   72  11.91 +/- 0.69   0.010% *  1.2209% (0.87   0.02   0.02) =   0.000%
          QB    GLU- 114 - QE    PHE   72  12.81 +/- 0.75   0.005% *  0.9105% (0.65   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    PHE   72  19.91 +/- 0.39   0.000% *  0.4344% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 193 (1.41, 6.99, 130.46 ppm):
    11 chemical-shift based assignments, quality = 0.375, support = 2.96, residual support = 35.1:
          HB3   LEU   67 - QE    PHE   72   2.75 +/- 0.47  98.048% * 88.9298% (0.38   2.96  35.09) =  99.984%  kept
          QB    ALA   61 - QE    PHE   72   6.60 +/- 0.57   0.804% *  0.8432% (0.53   0.02   0.02) =   0.008%
          QG    LYS+  66 - QE    PHE   72   6.65 +/- 0.38   0.815% *  0.3568% (0.22   0.02   0.02) =   0.003%
          HG12  ILE   19 - QE    PHE   72   9.66 +/- 0.45   0.091% *  1.3386% (0.84   0.02   0.02) =   0.001%
          QB    LEU   98 - QE    PHE   72   9.18 +/- 0.46   0.111% *  1.0367% (0.65   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QE    PHE   72   9.92 +/- 0.37   0.064% *  1.4372% (0.90   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QE    PHE   72  11.13 +/- 0.84   0.034% *  1.4794% (0.92   0.02   0.02) =   0.001%
          QB    ALA  110 - QE    PHE   72  11.81 +/- 0.52   0.021% *  1.2247% (0.76   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    PHE   72  14.54 +/- 1.17   0.007% *  0.6015% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    PHE   72  17.01 +/- 0.31   0.003% *  1.5884% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    PHE   72  16.72 +/- 0.99   0.003% *  1.1637% (0.73   0.02   0.02) =   0.000%
    Distance limit 5.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 194 (1.00, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 4.0, residual support = 35.1:
        T QD1   LEU   67 - QE    PHE   72   2.45 +/- 0.32  97.946% * 96.6040% (0.41   4.00  35.09) =  99.989%  kept
          QD2   LEU   40 - QE    PHE   72   5.18 +/- 0.43   1.631% *  0.5269% (0.45   0.02   0.02) =   0.009%
        T QD1   ILE  119 - QE    PHE   72   6.97 +/- 0.75   0.274% *  0.6183% (0.53   0.02   0.02) =   0.002%
          HB2   LEU  104 - QE    PHE   72   8.47 +/- 0.54   0.079% *  0.2931% (0.25   0.02   0.02) =   0.000%
          HB    VAL   75 - QE    PHE   72  11.48 +/- 0.73   0.012% *  1.1520% (0.98   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    PHE   72  10.08 +/- 0.48   0.027% *  0.3627% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QE    PHE   72  10.16 +/- 0.76   0.025% *  0.2617% (0.22   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    PHE   72  12.80 +/- 0.53   0.006% *  0.1813% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.88 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 = 0.704, support = 4.36, residual support = 20.0:
          HB3   LEU   63 - QE    PHE   72   2.29 +/- 0.77  76.317% * 77.7096% (0.73   4.33  19.08) =  95.980%  kept
          QG1   VAL   70 - QE    PHE   72   3.18 +/- 0.24  11.452% * 21.5249% (0.18   4.98  41.74) =   3.990%  kept
          QD1   LEU   40 - QE    PHE   72   3.21 +/- 0.37  11.908% *  0.1525% (0.31   0.02   0.02) =   0.029%
          QG1   VAL   18 - QE    PHE   72   5.71 +/- 0.58   0.320% *  0.1232% (0.25   0.02   6.69) =   0.001%
          QG1   VAL  108 - QE    PHE   72  13.85 +/- 0.49   0.002% *  0.4897% (0.99   0.02   0.02) =   0.000%
    Distance limit 5.09 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 = 0.901, support = 3.6, residual support = 19.1:
          QD1   LEU   63 - QE    PHE   72   3.11 +/- 0.57  68.557% * 53.0561% (0.98   3.39  19.08) =  72.972%  kept
          QD2   LEU   63 - QE    PHE   72   3.65 +/- 0.34  29.294% * 45.9801% (0.69   4.19  19.08) =  27.022%  kept
          QD1   LEU   73 - QE    PHE   72   8.00 +/- 0.19   0.277% *  0.3132% (0.98   0.02  31.98) =   0.002%
          QD1   LEU  104 - QE    PHE   72   7.17 +/- 0.52   0.582% *  0.1432% (0.45   0.02   0.02) =   0.002%
          QD2   LEU  115 - QE    PHE   72   7.90 +/- 0.51   0.319% *  0.2320% (0.73   0.02   0.02) =   0.001%
          QG2   VAL   41 - QE    PHE   72   6.56 +/- 0.26   0.957% *  0.0560% (0.18   0.02   0.02) =   0.001%
          QD2   LEU   80 - QE    PHE   72  13.38 +/- 0.19   0.013% *  0.2195% (0.69   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 198 (0.38, 6.99, 130.46 ppm):
    4 chemical-shift based assignments, quality = 0.678, support = 4.09, residual support = 38.8:
          QB    ALA   64 - QE    PHE   72   3.18 +/- 0.43  47.171% * 95.5354% (0.69   4.26  40.29) =  95.586%  kept
          QG1   VAL   42 - QE    PHE   72   2.96 +/- 0.69  52.820% *  3.9399% (0.49   0.25   6.13) =   4.414%  kept
          QB    ALA   47 - QE    PHE   72  14.39 +/- 0.41   0.004% *  0.3956% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QE    PHE   72  13.72 +/- 0.97   0.005% *  0.1291% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 199 (0.19, 6.99, 130.46 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.44, residual support = 41.7:
        T QG2   VAL   70 - QE    PHE   72   2.19 +/- 0.43 100.000% *100.0000% (0.90   4.44  41.74) = 100.000%  kept
    Distance limit 5.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 200 (2.85, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 2.83, residual support = 40.3:
        T HA    ALA   64 - HZ    PHE   72   3.38 +/- 0.49  99.432% * 98.5363% (0.65   2.83  40.29) =  99.997%  kept
          QE    LYS+  66 - HZ    PHE   72   8.61 +/- 0.52   0.560% *  0.5657% (0.53   0.02   0.02) =   0.003%
          HB3   ASN   35 - HZ    PHE   72  17.65 +/- 0.70   0.007% *  0.8980% (0.84   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 201 (2.20, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 3.3, residual support = 41.7:
        T HB    VAL   70 - HZ    PHE   72   3.73 +/- 0.54  99.301% * 98.0557% (0.92   3.30  41.74) =  99.997%  kept
        T QG    GLN   17 - HZ    PHE   72   9.98 +/- 0.37   0.331% *  0.6216% (0.97   0.02   0.02) =   0.002%
        T HB2   MET   96 - HZ    PHE   72  10.43 +/- 0.68   0.302% *  0.3389% (0.53   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HZ    PHE   72  15.00 +/- 1.36   0.030% *  0.2417% (0.38   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HZ    PHE   72  14.58 +/- 0.67   0.035% *  0.0994% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HZ    PHE   72  23.26 +/- 0.37   0.002% *  0.6427% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 202 (1.99, 6.71, 127.90 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 2.96, residual support = 35.1:
        T HB2   LEU   67 - HZ    PHE   72   2.61 +/- 0.47  99.403% * 93.3029% (0.45   2.96  35.09) =  99.997%  kept
          HB    VAL   18 - HZ    PHE   72   7.22 +/- 0.89   0.379% *  0.3134% (0.22   0.02   6.69) =   0.001%
          HG2   PRO   68 - HZ    PHE   72   8.79 +/- 0.68   0.099% *  1.1271% (0.80   0.02   0.02) =   0.001%
          HB    ILE   19 - HZ    PHE   72  10.58 +/- 0.29   0.034% *  1.0221% (0.73   0.02   0.02) =   0.000%
          HB2   LEU  115 - HZ    PHE   72  12.86 +/- 0.61   0.013% *  1.1757% (0.84   0.02   0.02) =   0.000%
          HG3   PRO   58 - HZ    PHE   72  14.10 +/- 0.62   0.007% *  1.2209% (0.87   0.02   0.02) =   0.000%
          QB    GLU-  15 - HZ    PHE   72  10.87 +/- 1.04   0.030% *  0.2465% (0.18   0.02   0.02) =   0.000%
          HB2   GLN   17 - HZ    PHE   72  10.82 +/- 0.39   0.028% *  0.2465% (0.18   0.02   0.02) =   0.000%
          QB    GLU- 114 - HZ    PHE   72  14.21 +/- 0.96   0.007% *  0.9105% (0.65   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HZ    PHE   72  23.42 +/- 0.42   0.000% *  0.4344% (0.31   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 203 (1.41, 6.71, 127.90 ppm):
    11 chemical-shift based assignments, quality = 0.375, support = 2.96, residual support = 35.1:
          HB3   LEU   67 - HZ    PHE   72   3.43 +/- 0.59  96.576% * 88.9298% (0.38   2.96  35.09) =  99.977%  kept
          QG    LYS+  66 - HZ    PHE   72   6.81 +/- 0.35   2.235% *  0.3568% (0.22   0.02   0.02) =   0.009%
          QB    ALA   61 - HZ    PHE   72   8.29 +/- 0.39   0.720% *  0.8432% (0.53   0.02   0.02) =   0.007%
          HD3   LYS+ 121 - HZ    PHE   72  11.62 +/- 1.06   0.127% *  1.4794% (0.92   0.02   0.02) =   0.002%
          QB    LEU   98 - HZ    PHE   72  10.66 +/- 0.55   0.152% *  1.0367% (0.65   0.02   0.02) =   0.002%
          HG12  ILE   19 - HZ    PHE   72  11.90 +/- 0.48   0.076% *  1.3386% (0.84   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HZ    PHE   72  12.28 +/- 0.39   0.064% *  1.4372% (0.90   0.02   0.02) =   0.001%
          QB    ALA  110 - HZ    PHE   72  13.85 +/- 0.55   0.032% *  1.2247% (0.76   0.02   0.02) =   0.000%
          QB    ALA   12 - HZ    PHE   72  16.95 +/- 1.29   0.011% *  0.6015% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   80 - HZ    PHE   72  20.06 +/- 0.37   0.003% *  1.5884% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - HZ    PHE   72  19.73 +/- 1.11   0.004% *  1.1637% (0.73   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 204 (1.00, 6.71, 127.90 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 4.0, residual support = 35.1:
        T QD1   LEU   67 - HZ    PHE   72   2.18 +/- 0.59  99.273% * 96.6014% (0.41   4.00  35.09) =  99.996%  kept
          QD2   LEU   40 - HZ    PHE   72   5.98 +/- 0.48   0.469% *  0.5273% (0.45   0.02   0.02) =   0.003%
        T QD1   ILE  119 - HZ    PHE   72   7.72 +/- 0.90   0.198% *  0.6188% (0.53   0.02   0.02) =   0.001%
          HB2   LEU  104 - HZ    PHE   72   9.26 +/- 0.75   0.033% *  0.2933% (0.25   0.02   0.02) =   0.000%
        T HB    VAL   75 - HZ    PHE   72  13.85 +/- 0.82   0.004% *  1.1529% (0.98   0.02   0.02) =   0.000%
          QG2   ILE  103 - HZ    PHE   72  11.20 +/- 0.70   0.012% *  0.3630% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HZ    PHE   72  12.64 +/- 0.77   0.008% *  0.2619% (0.22   0.02   0.02) =   0.000%
          QG2   VAL  108 - HZ    PHE   72  14.38 +/- 0.66   0.003% *  0.1815% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 205 (0.88, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 3.2, residual support = 20.0:
        T HB3   LEU   63 - HZ    PHE   72   2.60 +/- 0.77  84.576% * 79.4909% (0.95   3.25  19.08) =  95.926%  kept
        T QG1   VAL   70 - HZ    PHE   72   4.12 +/- 0.41  14.544% * 19.6220% (0.38   2.02  41.74) =   4.072%  kept
          QG1   VAL   18 - HZ    PHE   72   7.32 +/- 0.64   0.344% *  0.2514% (0.49   0.02   6.69) =   0.001%
          QD1   LEU  123 - HZ    PHE   72   6.91 +/- 0.53   0.421% *  0.1022% (0.20   0.02   0.02) =   0.001%
          QD1   LEU   71 - HZ    PHE   72   9.19 +/- 0.72   0.112% *  0.1022% (0.20   0.02  19.13) =   0.000%
          QG1   VAL  108 - HZ    PHE   72  15.69 +/- 0.64   0.004% *  0.4314% (0.84   0.02   0.02) =   0.000%
    Distance limit 5.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 206 (0.58, 6.71, 127.90 ppm):
    7 chemical-shift based assignments, quality = 0.821, support = 2.42, residual support = 19.1:
          QD2   LEU   63 - HZ    PHE   72   3.33 +/- 0.66  71.401% * 30.6759% (0.69   1.93  19.08) =  54.143%  kept
          QD1   LEU   63 - HZ    PHE   72   3.94 +/- 0.63  27.304% * 67.9306% (0.98   3.00  19.08) =  45.850%  kept
          QD1   LEU  104 - HZ    PHE   72   7.92 +/- 0.59   0.525% *  0.2071% (0.45   0.02   0.02) =   0.003%
          QD2   LEU  115 - HZ    PHE   72   8.97 +/- 0.58   0.211% *  0.3354% (0.73   0.02   0.02) =   0.002%
          QD1   LEU   73 - HZ    PHE   72   9.79 +/- 0.24   0.130% *  0.4528% (0.98   0.02  31.98) =   0.001%
          QG2   VAL   41 - HZ    PHE   72   8.11 +/- 0.25   0.421% *  0.0809% (0.18   0.02   0.02) =   0.001%
          QD2   LEU   80 - HZ    PHE   72  15.83 +/- 0.21   0.007% *  0.3173% (0.69   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 207 (0.19, 6.71, 127.90 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 4.44, residual support = 41.7:
        T QG2   VAL   70 - HZ    PHE   72   3.60 +/- 0.39 100.000% *100.0000% (0.90   4.44  41.74) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 208 (10.56, 7.75, 128.42 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 1.88, residual support = 69.8:
      O   HE1   TRP   87 - HD1   TRP   87   2.64 +/- 0.00 100.000% *100.0000% (0.98   1.88  69.76) = 100.000%  kept
    Distance limit 4.63 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 = 69.8:
      O   HE1   TRP   87 - HZ2   TRP   87   2.85 +/- 0.00  99.999% * 99.9133% (0.98   1.00  69.76) = 100.000%  kept
          HE1   TRP   87 - HN    ILE   56  20.41 +/- 0.71   0.001% *  0.0867% (0.04   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (7.13, 7.71, 120.66 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 69.8:
      O T HZ3   TRP   87 - HE3   TRP   87   2.49 +/- 0.00  99.999% * 97.2747% (0.98   1.00  69.76) = 100.000%  kept
          QD    PHE   97 - HE3   TRP   87  18.22 +/- 0.37   0.001% *  1.9804% (1.00   0.02   0.02) =   0.000%
          HE3   TRP   49 - HE3   TRP   87  19.26 +/- 0.34   0.000% *  0.7449% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.50 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 = 69.8:
      O   HZ2   TRP   87 - HH2   TRP   87   2.52 +/- 0.00  99.990% * 95.7740% (0.99   1.00  69.76) = 100.000%  kept
          HD21  ASN   28 - HH2   TRP   87  12.50 +/- 1.39   0.009% *  1.8943% (0.98   0.02   0.02) =   0.000%
          QE    PHE   60 - HH2   TRP   87  17.74 +/- 0.35   0.001% *  0.9407% (0.49   0.02   0.02) =   0.000%
          HN    ILE   56 - HH2   TRP   87  24.52 +/- 0.87   0.000% *  0.5965% (0.31   0.02   0.02) =   0.000%
          HN    LEU   63 - HH2   TRP   87  26.51 +/- 0.30   0.000% *  0.7945% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 69.8:
      O   HH2   TRP   87 - HZ2   TRP   87   2.52 +/- 0.00  98.977% * 97.3925% (0.90   1.00  69.76) = 100.000%  kept
          HN    PHE   59 - HN    ILE   56   5.42 +/- 0.13   1.022% *  0.0262% (0.01   0.02  15.55) =   0.000%
          HN    HIS  122 - HZ2   TRP   87  25.83 +/- 1.00   0.000% *  1.8141% (0.84   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    ILE   56  16.77 +/- 0.23   0.001% *  0.0787% (0.04   0.02   0.02) =   0.000%
          HN    PHE   59 - HZ2   TRP   87  24.39 +/- 0.56   0.000% *  0.6039% (0.28   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE   56  24.52 +/- 0.87   0.000% *  0.0845% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 0.866, support = 0.02, residual support = 0.02:
          HZ2   TRP   27 - HZ2   TRP   87   9.08 +/- 0.65  92.982% * 81.3674% (0.87   0.02   0.02) =  99.819%  kept
          HZ    PHE   72 - HZ2   TRP   87  22.59 +/- 0.54   0.416% * 14.4733% (0.15   0.02   0.02) =   0.080%
          HZ2   TRP   27 - HN    ILE   56  18.89 +/- 0.54   1.230% *  3.5312% (0.04   0.02   0.02) =   0.057%
          HZ    PHE   72 - HN    ILE   56  14.78 +/- 0.56   5.371% *  0.6281% (0.01   0.02   0.02) =   0.045%
    Distance limit 5.39 A violated in 20 structures by 3.69 A, eliminated.
    Peak unassigned.
 
    Peak 214 (7.35, 7.13, 121.44 ppm):
    7 chemical-shift based assignments, quality = 0.68, support = 0.0193, residual support = 0.0193:
          HN    THR   23 - HZ3   TRP   87  18.27 +/- 0.78  27.181% * 11.6802% (0.53   0.02   0.02) =  23.067%  kept
          HD2   HIS   22 - HZ3   TRP   87  20.19 +/- 1.05  15.083% * 20.4937% (0.92   0.02   0.02) =  22.459%  kept
          HD1   TRP   49 - HZ3   TRP   87  21.04 +/- 0.64  11.892% * 22.0041% (0.99   0.02   0.02) =  19.013%  kept
          HD21  ASN   35 - HZ3   TRP   87  19.25 +/- 1.76  21.536% * 11.6802% (0.53   0.02   0.02) =  18.277%  kept
          QE    PHE   95 - HZ3   TRP   87  19.77 +/- 0.38  17.363% * 10.8062% (0.49   0.02   0.02) =  13.632%  kept
          HN    LEU   67 - HZ3   TRP   87  29.58 +/- 0.69   1.523% * 19.9101% (0.90   0.02   0.02) =   2.203%
          QD    PHE   55 - HZ3   TRP   87  24.27 +/- 1.22   5.422% *  3.4254% (0.15   0.02   0.02) =   1.350%
    Distance limit 4.73 A violated in 20 structures by 10.13 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 = 22.4:
          HN    ASP-  86 - HD1   TRP   87   4.29 +/- 0.06  99.921% * 97.7155% (0.38   3.73  22.41) =  99.999%  kept
          HN    GLU-  29 - HD1   TRP   87  16.08 +/- 0.85   0.039% *  1.1185% (0.80   0.02   0.02) =   0.000%
          HN    GLN   30 - HD1   TRP   87  16.44 +/- 0.88   0.034% *  0.4311% (0.31   0.02   0.02) =   0.000%
          HN    VAL   18 - HD1   TRP   87  21.46 +/- 0.44   0.006% *  0.7349% (0.53   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 216 (-0.01, 7.23, 124.80 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.02, residual support = 0.02:
          QD1   LEU   31 - HH2   TRP   87   9.91 +/- 1.06 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 5.50 A violated in 20 structures by 4.41 A, eliminated.
    Peak unassigned.
 
    Peak 217 (0.56, 7.23, 124.80 ppm):
    8 chemical-shift based assignments, quality = 0.481, support = 0.0196, residual support = 0.0196:
          QD1   LEU   80 - HH2   TRP   87  10.11 +/- 1.34  38.401% * 13.2036% (0.53   0.02   0.02) =  49.650%  kept
          QD2   LEU   98 - HH2   TRP   87  11.69 +/- 0.67  15.347% * 13.2036% (0.53   0.02   0.02) =  19.843%  kept
          QD2   LEU   80 - HH2   TRP   87  10.18 +/- 0.65  33.674% *  3.8722% (0.15   0.02   0.02) =  12.768%  kept
          QG2   VAL   41 - HH2   TRP   87  13.95 +/- 0.77   5.191% * 18.2235% (0.73   0.02   0.02) =   9.264%  kept
          QD1   LEU   73 - HH2   TRP   87  13.59 +/- 0.68   5.846% * 11.2514% (0.45   0.02   0.02) =   6.441%  kept
          QD2   LEU   63 - HH2   TRP   87  21.33 +/- 0.54   0.435% * 24.5992% (0.98   0.02   0.02) =   1.047%
          QD1   LEU   63 - HH2   TRP   87  19.39 +/- 0.41   0.760% * 11.2514% (0.45   0.02   0.02) =   0.838%
        T QD2   LEU  115 - HH2   TRP   87  22.17 +/- 0.62   0.345% *  4.3951% (0.18   0.02   0.02) =   0.148%
    Distance limit 5.50 A violated in 20 structures by 2.98 A, eliminated.
    Peak unassigned.
 
    Peak 218 (0.72, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.722, support = 0.0198, residual support = 0.0198:
          QD1   LEU   98 - HH2   TRP   87  11.95 +/- 0.75  71.780% * 30.8031% (0.76   0.02   0.02) =  82.200%  kept
          QD2   LEU  104 - HH2   TRP   87  17.63 +/- 0.62   7.151% * 29.2682% (0.73   0.02   0.02) =   7.781%  kept
          QD1   ILE   19 - HH2   TRP   87  18.67 +/- 0.83   5.358% * 22.8195% (0.57   0.02   0.02) =   4.546%  kept
          QG2   THR   46 - HH2   TRP   87  16.13 +/- 0.28  12.150% * 10.0504% (0.25   0.02   0.02) =   4.540%  kept
          QG2   VAL   18 - HH2   TRP   87  19.83 +/- 0.59   3.561% *  7.0588% (0.18   0.02   0.02) =   0.934%
    Distance limit 5.42 A violated in 20 structures by 5.93 A, eliminated.
    Peak unassigned.
 
    Peak 219 (4.35, 7.71, 120.66 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 3.44, residual support = 69.8:
        T HA    TRP   87 - HE3   TRP   87   3.26 +/- 0.06  99.998% * 98.9023% (0.80   3.44  69.76) = 100.000%  kept
          HA    PHE   59 - HE3   TRP   87  26.29 +/- 0.43   0.000% *  0.6922% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  99 - HE3   TRP   87  22.43 +/- 0.82   0.001% *  0.1107% (0.15   0.02   0.02) =   0.000%
          HA    ASP- 113 - HE3   TRP   87  27.48 +/- 0.88   0.000% *  0.2949% (0.41   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 220 (3.41, 7.71, 120.66 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.15, residual support = 69.8:
      O T HB2   TRP   87 - HE3   TRP   87   2.49 +/- 0.01 100.000% * 99.3697% (1.00   3.15  69.76) = 100.000%  kept
        T HB2   PHE   60 - HE3   TRP   87  22.61 +/- 0.52   0.000% *  0.6303% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 221 (0.96, 7.71, 120.66 ppm):
    7 chemical-shift based assignments, quality = 0.827, support = 0.0186, residual support = 0.0186:
        T QD1   ILE  103 - HE3   TRP   87  12.03 +/- 0.51  65.692% * 24.6359% (0.95   0.02   0.02) =  84.967%  kept
          QG2   ILE  103 - HE3   TRP   87  14.47 +/- 0.41  21.664% *  7.2410% (0.28   0.02   0.02) =   8.236%  kept
          QD2   LEU   71 - HE3   TRP   87  21.58 +/- 0.78   1.999% * 22.5907% (0.87   0.02   0.02) =   2.370%
          HG3   LYS+  74 - HE3   TRP   87  20.45 +/- 0.46   2.766% *  9.7743% (0.38   0.02   0.02) =   1.420%
          QG2   ILE  119 - HE3   TRP   87  24.46 +/- 0.42   0.944% * 26.0433% (1.00   0.02   0.02) =   1.291%
          QD2   LEU   40 - HE3   TRP   87  18.43 +/- 0.51   5.144% *  4.5610% (0.18   0.02   0.02) =   1.232%
          QD1   LEU   67 - HE3   TRP   87  21.98 +/- 0.59   1.791% *  5.1539% (0.20   0.02   0.02) =   0.485%
    Distance limit 5.50 A violated in 20 structures by 5.96 A, eliminated.
    Peak unassigned.
 
    Peak 222 (4.35, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.27, residual support = 69.8:
          HA    TRP   87 - HD1   TRP   87   4.57 +/- 0.01  99.978% * 99.1126% (0.80   4.27  69.76) = 100.000%  kept
          HA    PHE   59 - HD1   TRP   87  22.77 +/- 0.32   0.007% *  0.5596% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD1   TRP   87  20.62 +/- 0.54   0.012% *  0.0895% (0.15   0.02   0.02) =   0.000%
          HA    ASP- 113 - HD1   TRP   87  25.40 +/- 0.58   0.003% *  0.2384% (0.41   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 223 (3.79, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 4.25, residual support = 13.7:
        T HA    VAL   83 - HD1   TRP   87   3.87 +/- 0.08  99.762% * 97.6970% (0.41   4.25  13.65) =  99.999%  kept
        T HA    VAL   24 - HD1   TRP   87  10.81 +/- 0.79   0.230% *  0.4193% (0.38   0.02   0.02) =   0.001%
        T HA    LYS+  38 - HD1   TRP   87  22.78 +/- 1.10   0.002% *  1.0018% (0.90   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD1   TRP   87  22.60 +/- 0.74   0.003% *  0.5008% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD1   TRP   87  21.79 +/- 0.47   0.003% *  0.3811% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 224 (3.41, 7.75, 128.42 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.95, residual support = 69.8:
      O   HB2   TRP   87 - HD1   TRP   87   3.86 +/- 0.01  99.992% * 99.4960% (1.00   3.95  69.76) = 100.000%  kept
        T HB2   PHE   60 - HD1   TRP   87  18.51 +/- 0.42   0.008% *  0.5040% (1.00   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 225 (2.94, 7.75, 128.42 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.6, residual support = 22.4:
        T HB2   ASP-  86 - HD1   TRP   87   3.28 +/- 0.12  99.940% * 98.0723% (1.00   3.60  22.41) = 100.000%  kept
        T HB2   ASN   28 - HD1   TRP   87  14.53 +/- 0.99   0.015% *  0.4560% (0.84   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD1   TRP   87  12.24 +/- 0.18   0.039% *  0.1216% (0.22   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HD1   TRP   87  18.90 +/- 1.11   0.003% *  0.4372% (0.80   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD1   TRP   87  19.87 +/- 1.12   0.002% *  0.3965% (0.73   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD1   TRP   87  25.25 +/- 0.79   0.001% *  0.5165% (0.95   0.02   0.02) =   0.000%
    Distance limit 5.10 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 = 3.48, residual support = 69.8:
      O   HB3   TRP   87 - HD1   TRP   87   2.74 +/- 0.01  99.990% * 95.8594% (0.25   3.48  69.76) = 100.000%  kept
          HG3   MET   96 - HD1   TRP   87  12.98 +/- 0.53   0.009% *  1.2513% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD1   TRP   87  24.00 +/- 1.24   0.000% *  1.7697% (0.80   0.02   0.02) =   0.000%
          HG3   GLN  116 - HD1   TRP   87  26.69 +/- 0.49   0.000% *  0.6822% (0.31   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HD1   TRP   87  25.04 +/- 0.30   0.000% *  0.4374% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.07 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 = 0.714, support = 3.69, residual support = 18.2:
          QD1   ILE   89 - HD1   TRP   87   2.02 +/- 0.10  74.438% * 48.1727% (0.65   3.93  19.88) =  73.189%  kept
        T QG2   VAL   83 - HD1   TRP   87   2.54 +/- 0.46  25.548% * 51.4175% (0.90   3.03  13.65) =  26.811%  kept
          QD2   LEU   31 - HD1   TRP   87  11.14 +/- 0.71   0.003% *  0.3586% (0.95   0.02   0.02) =   0.000%
          QG2   VAL   43 - HD1   TRP   87   8.89 +/- 0.41   0.011% *  0.0513% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 0.868, support = 1.24, residual support = 17.7:
        T QG2   ILE   89 - HD1   TRP   87   4.03 +/- 0.05  65.745% * 48.6723% (0.95   1.10  19.88) =  64.659%  kept
          QG1   VAL   83 - HD1   TRP   87   4.53 +/- 0.44  34.249% * 51.0670% (0.73   1.50  13.65) =  35.341%  kept
          QD1   LEU  104 - HD1   TRP   87  18.93 +/- 0.35   0.006% *  0.2607% (0.28   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 229 (0.56, 7.61, 114.70 ppm):
    16 chemical-shift based assignments, quality = 0.454, support = 0.0191, residual support = 0.0191:
          QD1   LEU   80 - HZ2   TRP   87   8.18 +/- 1.30  21.359% * 12.6544% (0.53   0.02   0.02) =  59.524%  kept
          QD2   LEU   80 - HZ2   TRP   87   8.11 +/- 0.67  18.609% *  3.7111% (0.15   0.02   0.02) =  15.209%  kept
          QD2   LEU   98 - HZ2   TRP   87  10.55 +/- 0.61   3.884% * 12.6544% (0.53   0.02   0.02) =  10.825%  kept
          QG2   VAL   41 - HZ2   TRP   87  12.39 +/- 0.66   1.444% * 17.4655% (0.73   0.02   0.02) =   5.554%  kept
          QD1   LEU   73 - HZ2   TRP   87  11.74 +/- 0.60   1.930% * 10.7834% (0.45   0.02   0.02) =   4.583%  kept
          QD2   LEU  115 - HN    ILE   56   7.18 +/- 0.34  37.663% *  0.1828% (0.01   0.02   0.02) =   1.516%
          QD1   LEU   63 - HN    ILE   56   8.95 +/- 0.36  10.297% *  0.4680% (0.02   0.02   0.02) =   1.061%
          QD2   LEU   63 - HN    ILE   56  10.96 +/- 0.50   3.044% *  1.0232% (0.04   0.02   0.02) =   0.686%
          QD2   LEU   63 - HZ2   TRP   87  19.95 +/- 0.58   0.086% * 23.5760% (0.98   0.02   0.02) =   0.444%
          QD1   LEU   63 - HZ2   TRP   87  17.96 +/- 0.44   0.158% * 10.7834% (0.45   0.02   0.02) =   0.376%
          QD2   LEU  115 - HZ2   TRP   87  20.92 +/- 0.60   0.064% *  4.2123% (0.18   0.02   0.02) =   0.059%
          QG2   VAL   41 - HN    ILE   56  15.70 +/- 0.32   0.345% *  0.7580% (0.03   0.02   0.02) =   0.058%
          QD1   LEU   73 - HN    ILE   56  15.38 +/- 0.47   0.392% *  0.4680% (0.02   0.02   0.02) =   0.040%
          QD2   LEU   98 - HN    ILE   56  16.69 +/- 0.97   0.249% *  0.5492% (0.02   0.02   0.02) =   0.030%
          QD1   LEU   80 - HN    ILE   56  17.49 +/- 1.21   0.215% *  0.5492% (0.02   0.02   0.02) =   0.026%
          QD2   LEU   80 - HN    ILE   56  16.43 +/- 0.52   0.263% *  0.1611% (0.01   0.02   0.02) =   0.009%
    Distance limit 5.50 A violated in 19 structures by 1.43 A, eliminated.
    Peak unassigned.
 
    Peak 230 (0.03, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.308, support = 0.0198, residual support = 0.0198:
          QG2   VAL   43 - HZ2   TRP   87   9.78 +/- 0.36  25.573% * 71.3019% (0.45   0.02   0.02) =  52.844%  kept
          QD1   LEU   31 - HZ2   TRP   87   8.31 +/- 0.97  65.195% * 24.5388% (0.15   0.02   0.02) =  46.365%  kept
          QG2   VAL   43 - HN    ILE   56  11.78 +/- 0.38   8.612% *  3.0944% (0.02   0.02   0.02) =   0.772%
          QD1   LEU   31 - HN    ILE   56  18.23 +/- 0.41   0.620% *  1.0649% (0.01   0.02   0.02) =   0.019%
    Distance limit 5.50 A violated in 20 structures by 2.32 A, eliminated.
    Peak unassigned.
 
    Peak 231 (4.57, 7.11, 121.95 ppm):
    7 chemical-shift based assignments, quality = 0.762, support = 2.44, residual support = 48.3:
          HA    TRP   49 - HE3   TRP   49   4.23 +/- 0.36  42.893% * 62.7615% (0.69   3.18  80.86) =  58.110%  kept
          HA    CYS   50 - HE3   TRP   49   4.60 +/- 1.61  54.553% * 35.5518% (0.87   1.42   3.23) =  41.865%  kept
          HA    ALA   47 - HE3   TRP   49   6.92 +/- 0.40   2.501% *  0.4398% (0.76   0.02  14.95) =   0.024%
          HA1   GLY  109 - HE3   TRP   49  13.53 +/- 1.26   0.040% *  0.4807% (0.84   0.02   0.02) =   0.000%
          HA    VAL  108 - HE3   TRP   49  17.62 +/- 1.34   0.008% *  0.3723% (0.65   0.02   0.02) =   0.000%
          HA    CYS   21 - HE3   TRP   49  19.02 +/- 0.67   0.005% *  0.2801% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HE3   TRP   49  30.02 +/- 0.68   0.000% *  0.1139% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 232 (7.36, 7.11, 121.95 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.6, residual support = 80.9:
          HD1   TRP   49 - HE3   TRP   49   5.08 +/- 0.00  99.680% * 98.2394% (1.00   3.60  80.86) =  99.999%  kept
          HD2   HIS   22 - HE3   TRP   49  16.00 +/- 1.07   0.113% *  0.5369% (0.98   0.02   0.02) =   0.001%
          QE    PHE   95 - HE3   TRP   49  14.99 +/- 0.72   0.159% *  0.2056% (0.38   0.02   0.02) =   0.000%
          HN    THR   23 - HE3   TRP   49  18.71 +/- 0.80   0.042% *  0.2252% (0.41   0.02   0.02) =   0.000%
          HN    LEU   67 - HE3   TRP   49  26.93 +/- 0.64   0.005% *  0.4386% (0.80   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE3   TRP   49  31.50 +/- 1.15   0.002% *  0.3543% (0.65   0.02   0.02) =   0.000%
    Distance limit 5.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 233 (7.34, 7.18, 125.21 ppm):
    8 chemical-shift based assignments, quality = 0.819, support = 0.0196, residual support = 79.3:
          HD1   TRP   49 - HH2   TRP   49   6.66 +/- 0.00  97.131% * 16.7579% (0.84   0.02  80.86) =  98.060%  kept
          QE    PHE   95 - HH2   TRP   49  15.19 +/- 0.87   0.737% * 15.3326% (0.76   0.02   0.02) =   0.681%
          HD2   HIS   22 - HH2   TRP   49  16.08 +/- 1.22   0.555% * 13.7814% (0.69   0.02   0.02) =   0.461%
          QD    PHE   55 - HH2   TRP   49  14.49 +/- 1.24   1.044% *  6.8436% (0.34   0.02   0.02) =   0.431%
          HN    THR   23 - HH2   TRP   49  17.92 +/- 0.92   0.272% * 16.0651% (0.80   0.02   0.02) =   0.263%
          HE3   TRP   27 - HH2   TRP   49  18.42 +/- 0.83   0.226% *  5.5782% (0.28   0.02   0.02) =   0.076%
          HN    LEU   67 - HH2   TRP   49  27.54 +/- 0.67   0.020% * 20.0629% (1.00   0.02   0.02) =   0.024%
          HD21  ASN   35 - HH2   TRP   49  29.45 +/- 1.38   0.014% *  5.5782% (0.28   0.02   0.02) =   0.005%
    Distance limit 5.14 A violated in 20 structures by 1.52 A, eliminated.
    Peak unassigned.
 
    Peak 234 (4.57, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.725, support = 4.17, residual support = 62.1:
          HA    TRP   49 - HD1   TRP   49   4.37 +/- 0.20  62.850% * 45.4405% (0.69   4.67  80.86) =  74.709%  kept
          HA    CYS   50 - HD1   TRP   49   6.16 +/- 1.12  17.308% * 40.2088% (0.87   3.27   3.23) =  18.205%  kept
          HA    ALA   47 - HD1   TRP   49   5.45 +/- 0.55  19.718% * 13.7366% (0.76   1.27  14.95) =   7.085%  kept
          HA1   GLY  109 - HD1   TRP   49  14.37 +/- 2.01   0.084% *  0.2367% (0.84   0.02   0.02) =   0.001%
          HA    CYS   21 - HD1   TRP   49  16.67 +/- 1.62   0.024% *  0.1380% (0.49   0.02   0.02) =   0.000%
          HA    VAL  108 - HD1   TRP   49  18.16 +/- 1.84   0.015% *  0.1834% (0.65   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD1   TRP   49  29.26 +/- 1.02   0.001% *  0.0561% (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 = 0.586, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - HZ3   TRP   87  13.12 +/- 0.83  86.679% * 31.1453% (0.45   0.02   0.02) =  74.640%  kept
          QG2   ILE   19 - HZ3   TRP   87  18.10 +/- 0.68  13.321% * 68.8547% (0.99   0.02   0.02) =  25.360%  kept
    Distance limit 5.50 A violated in 20 structures by 7.30 A, eliminated.
    Peak unassigned.
 
    Peak 236 (0.98, 7.13, 121.44 ppm):
    8 chemical-shift based assignments, quality = 0.672, support = 0.0188, residual support = 0.0188:
          QD1   ILE  103 - HZ3   TRP   87  11.60 +/- 0.45  59.633% * 11.2532% (0.65   0.02   0.02) =  58.426%  kept
          QG2   ILE  103 - HZ3   TRP   87  14.23 +/- 0.56  17.627% * 16.4554% (0.95   0.02   0.02) =  25.254%  kept
          HB    VAL   75 - HZ3   TRP   87  14.84 +/- 0.41  13.905% *  4.3376% (0.25   0.02   0.02) =   5.251%  kept
          QD2   LEU   40 - HZ3   TRP   87  18.23 +/- 0.44   4.027% * 14.5299% (0.84   0.02   0.02) =   5.094%  kept
          HG3   LYS+  74 - HZ3   TRP   87  21.62 +/- 0.43   1.449% * 17.2415% (0.99   0.02   0.02) =   2.176%
          QD2   LEU   71 - HZ3   TRP   87  21.53 +/- 0.83   1.522% * 13.2941% (0.76   0.02   0.02) =   1.761%
          QD1   LEU   67 - HZ3   TRP   87  22.19 +/- 0.59   1.245% * 15.0893% (0.87   0.02   0.02) =   1.635%
          QG2   ILE  119 - HZ3   TRP   87  25.07 +/- 0.46   0.592% *  7.7989% (0.45   0.02   0.02) =   0.402%
    Distance limit 5.50 A violated in 20 structures by 5.23 A, eliminated.
    Peak unassigned.
 
    Peak 237 (1.82, 7.13, 121.44 ppm):
    10 chemical-shift based assignments, quality = 0.771, support = 0.0193, residual support = 0.0193:
          HG12  ILE  103 - HZ3   TRP   87  15.42 +/- 0.63  45.478% * 11.3326% (0.76   0.02   0.02) =  44.657%  kept
          QB    LYS+ 102 - HZ3   TRP   87  18.08 +/- 0.66  17.657% * 11.3326% (0.76   0.02   0.02) =  17.338%  kept
          HB    VAL   41 - HZ3   TRP   87  19.26 +/- 1.38  12.815% * 13.2989% (0.90   0.02   0.02) =  14.767%  kept
          HG2   PRO   93 - HZ3   TRP   87  19.67 +/- 1.17  11.450% * 14.0274% (0.95   0.02   0.02) =  13.918%  kept
          HB2   LEU   71 - HZ3   TRP   87  23.06 +/- 1.04   4.236% *  8.9941% (0.61   0.02   0.02) =   3.301%  kept
          HB3   PRO   52 - HZ3   TRP   87  23.26 +/- 1.68   4.266% *  7.2180% (0.49   0.02   0.02) =   2.668%  kept
          QB    LYS+  66 - HZ3   TRP   87  27.37 +/- 0.56   1.470% * 14.6976% (0.99   0.02   0.02) =   1.872%
          QB    LYS+  65 - HZ3   TRP   87  28.61 +/- 0.28   1.128% *  9.5928% (0.65   0.02   0.02) =   0.937%
          HG    LEU  123 - HZ3   TRP   87  32.07 +/- 0.62   0.569% *  7.2180% (0.49   0.02   0.02) =   0.356%
          HB3   GLN   17 - HZ3   TRP   87  29.59 +/- 0.79   0.930% *  2.2880% (0.15   0.02   0.02) =   0.184%
    Distance limit 5.50 A violated in 20 structures by 8.11 A, eliminated.
    Peak unassigned.
 
    Peak 239 (9.86, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 3.87, residual support = 73.5:
          HN    PHE   95 - QD    PHE   95   3.03 +/- 0.49 100.000% *100.0000% (0.61   3.87  73.53) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 240 (5.96, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.44, residual support = 73.5:
        T HA    PHE   95 - QD    PHE   95   2.55 +/- 0.39 100.000% *100.0000% (0.98   3.44  73.53) = 100.000%  kept
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 241 (4.29, 7.02, 132.19 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 2.0, residual support = 4.73:
          HA    ASP-  44 - QD    PHE   95   3.31 +/- 0.66  99.630% * 93.1915% (0.90   2.00   4.73) =  99.998%  kept
          HA    ILE  103 - QD    PHE   95  10.77 +/- 0.26   0.146% *  0.7546% (0.73   0.02   0.02) =   0.001%
          HB    THR   77 - QD    PHE   95  12.29 +/- 0.29   0.061% *  0.8679% (0.84   0.02   0.02) =   0.001%
          HA    LEU  104 - QD    PHE   95  11.65 +/- 0.21   0.091% *  0.2889% (0.28   0.02   0.02) =   0.000%
          HA    THR   39 - QD    PHE   95  15.09 +/- 0.41   0.020% *  0.2889% (0.28   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD    PHE   95  14.07 +/- 0.50   0.027% *  0.2056% (0.20   0.02   0.02) =   0.000%
          HA    SER   85 - QD    PHE   95  19.13 +/- 0.24   0.004% *  0.8679% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD    PHE   95  16.39 +/- 0.41   0.010% *  0.3545% (0.34   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD    PHE   95  19.56 +/- 0.31   0.004% *  0.7546% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   95  19.14 +/- 0.67   0.004% *  0.6722% (0.65   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   95  23.74 +/- 0.90   0.001% *  0.7941% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   95  25.92 +/- 2.04   0.001% *  0.9592% (0.92   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 242 (3.19, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 3.0, residual support = 73.5:
      O T HB2   PHE   95 - QD    PHE   95   2.34 +/- 0.09 100.000% *100.0000% (0.97   3.00  73.53) = 100.000%  kept
    Distance limit 5.18 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   2.57 +/- 0.15  99.928% * 99.2275% (0.99   3.31  73.53) = 100.000%  kept
          HG2   GLN  116 - QD    PHE   95   8.76 +/- 0.37   0.071% *  0.6045% (1.00   0.02   0.02) =   0.000%
          HG2   GLU-  25 - QD    PHE   95  21.59 +/- 0.52   0.000% *  0.1681% (0.28   0.02   0.02) =   0.000%
    Distance limit 5.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (2.40, 7.02, 132.19 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.85, residual support = 40.7:
        T HB    VAL  107 - QD    PHE   95   2.36 +/- 0.64  99.236% * 98.6592% (0.92   3.85  40.66) =  99.998%  kept
          QE    LYS+ 112 - QD    PHE   95   7.23 +/- 0.57   0.571% *  0.2923% (0.53   0.02   0.02) =   0.002%
          HB3   PHE   45 - QD    PHE   95   8.03 +/- 0.38   0.185% *  0.2923% (0.53   0.02   1.89) =   0.001%
          QG    GLU-  79 - QD    PHE   95  14.33 +/- 0.62   0.006% *  0.2923% (0.53   0.02   0.02) =   0.000%
          QG    GLN   32 - QD    PHE   95  17.22 +/- 0.60   0.002% *  0.4640% (0.84   0.02   0.02) =   0.000%
    Distance limit 5.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 245 (1.36, 7.02, 132.19 ppm):
    16 chemical-shift based assignments, quality = 0.763, support = 0.749, residual support = 4.72:
          HB3   ASP-  44 - QD    PHE   95   2.37 +/- 0.52  95.651% * 77.2019% (0.76   0.75   4.73) =  99.895%  kept
          HB2   LEU   63 - QD    PHE   95   5.53 +/- 0.46   1.932% *  1.7427% (0.65   0.02   2.46) =   0.046%
          HB3   PRO   93 - QD    PHE   95   5.84 +/- 0.42   1.148% *  2.6939% (1.00   0.02   0.02) =   0.042%
          HB    VAL   42 - QD    PHE   95   6.23 +/- 0.48   0.852% *  0.8315% (0.31   0.02   1.50) =   0.010%
          HG3   LYS+ 106 - QD    PHE   95   7.67 +/- 0.56   0.155% *  1.6339% (0.61   0.02   0.02) =   0.003%
          HG    LEU   98 - QD    PHE   95   9.88 +/- 1.20   0.050% *  2.5998% (0.97   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - QD    PHE   95   8.20 +/- 0.41   0.105% *  0.8315% (0.31   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - QD    PHE   95   9.15 +/- 0.32   0.048% *  1.3112% (0.49   0.02   0.02) =   0.001%
          HB3   LEU   73 - QD    PHE   95   9.94 +/- 0.36   0.027% *  1.0110% (0.38   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    PHE   95  12.67 +/- 0.45   0.008% *  2.4159% (0.90   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    PHE   95  13.05 +/- 0.26   0.006% *  2.6879% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD    PHE   95  11.99 +/- 0.46   0.012% *  0.8315% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    PHE   95  14.19 +/- 0.57   0.003% *  1.4173% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    PHE   95  15.70 +/- 0.57   0.002% *  1.0110% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD    PHE   95  16.65 +/- 0.54   0.001% *  1.1075% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD    PHE   95  16.94 +/- 0.67   0.001% *  0.6717% (0.25   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 246 (1.15, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 2.95, residual support = 40.7:
        T QG2   VAL  107 - QD    PHE   95   2.06 +/- 0.26  99.975% * 98.5484% (0.99   2.95  40.66) = 100.000%  kept
          HG13  ILE  103 - QD    PHE   95   9.88 +/- 0.34   0.012% *  0.5394% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD    PHE   95  10.63 +/- 0.28   0.007% *  0.5843% (0.87   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    PHE   95  10.87 +/- 0.47   0.006% *  0.3279% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.15 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 = 0.904, support = 1.19, residual support = 2.69:
          QD1   LEU   63 - QD    PHE   95   3.47 +/- 0.50  79.702% * 64.4276% (0.90   1.25   2.46) =  91.673%  kept
        T QD2   LEU  115 - QD    PHE   95   4.84 +/- 0.39  14.655% * 31.6656% (0.99   0.56   5.25) =   8.285%  kept
          QD2   LEU   63 - QD    PHE   95   5.59 +/- 0.40   5.087% *  0.3550% (0.31   0.02   2.46) =   0.032%
          QD1   LEU   73 - QD    PHE   95   9.16 +/- 0.45   0.279% *  1.0316% (0.90   0.02   0.02) =   0.005%
          QD1   LEU  104 - QD    PHE   95   9.83 +/- 0.39   0.172% *  0.9608% (0.84   0.02   0.02) =   0.003%
          QD2   LEU   80 - QD    PHE   95  12.16 +/- 0.45   0.054% *  1.1275% (0.98   0.02   0.02) =   0.001%
          QG1   VAL   83 - QD    PHE   95  12.37 +/- 0.62   0.050% *  0.4317% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 248 (0.38, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 0.75, residual support = 1.5:
        T QG1   VAL   42 - QD    PHE   95   3.31 +/- 0.45  97.886% * 93.8162% (0.65   0.75   1.50) =  99.957%  kept
          QB    ALA   64 - QD    PHE   95   7.07 +/- 0.33   1.334% *  2.0347% (0.53   0.02   0.02) =   0.030%
          HG2   LYS+ 112 - QD    PHE   95   8.21 +/- 1.00   0.598% *  1.1936% (0.31   0.02   0.02) =   0.008%
        T QB    ALA   47 - QD    PHE   95  10.12 +/- 0.46   0.181% *  2.9555% (0.76   0.02   0.02) =   0.006%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 249 (3.70, 6.83, 120.22 ppm):
    7 chemical-shift based assignments, quality = 0.711, support = 3.26, residual support = 6.88:
          HA    ILE  119 - HD2   HIS  122   2.98 +/- 0.39  91.718% * 46.4679% (0.73   3.13   7.18) =  90.749%  kept
          HA    THR  118 - HD2   HIS  122   4.61 +/- 0.08   8.258% * 52.6121% (0.57   4.54   3.92) =   9.251%  kept
          HD3   PRO   58 - HD2   HIS  122  12.69 +/- 0.44   0.017% *  0.1263% (0.31   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD2   HIS  122  15.73 +/- 0.32   0.005% *  0.1138% (0.28   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   HIS  122  18.39 +/- 0.29   0.002% *  0.2317% (0.57   0.02   0.02) =   0.000%
          HA    ALA   84 - HD2   HIS  122  24.23 +/- 0.32   0.000% *  0.1835% (0.45   0.02   0.02) =   0.000%
          HB2   TRP   49 - HD2   HIS  122  26.46 +/- 0.49   0.000% *  0.2647% (0.65   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 250 (3.47, 6.83, 120.22 ppm):
    4 chemical-shift based assignments, quality = 0.487, support = 3.7, residual support = 71.8:
      O T HB2   HIS  122 - HD2   HIS  122   3.94 +/- 0.03  99.837% * 98.5170% (0.49   3.70  71.82) =  99.999%  kept
          HA    LYS+ 112 - HD2   HIS  122  11.83 +/- 0.30   0.138% *  0.8366% (0.76   0.02   0.02) =   0.001%
          HB    THR   46 - HD2   HIS  122  16.02 +/- 0.98   0.023% *  0.2730% (0.25   0.02   0.02) =   0.000%
          HB2   HIS   22 - HD2   HIS  122  24.92 +/- 0.37   0.002% *  0.3734% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (2.76, 6.83, 120.22 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.79, residual support = 71.8:
      O T HB3   HIS  122 - HD2   HIS  122   2.88 +/- 0.06  98.957% * 99.1993% (0.97   3.79  71.82) =  99.996%  kept
          QE    LYS+ 121 - HD2   HIS  122   6.43 +/- 0.62   1.042% *  0.3727% (0.69   0.02  49.33) =   0.004%
          HG2   GLN   30 - HD2   HIS  122  20.65 +/- 0.37   0.001% *  0.1208% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   HIS  122  24.56 +/- 0.57   0.000% *  0.3072% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.96 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 = 0.444, support = 0.0752, residual support = 0.0193:
          HB3   ASP- 105 - HD2   HIS  122   5.63 +/- 0.47  92.826% *  2.7198% (0.34   0.02   0.02) =  59.042%  kept
          QB    LYS+ 106 - HD2   HIS  122   9.70 +/- 0.26   3.670% * 43.6549% (0.65   0.17   0.02) =  37.468%  kept
          HB3   PRO   58 - HD2   HIS  122  12.24 +/- 0.49   1.039% *  4.8362% (0.61   0.02   0.02) =   1.175%
          HB    ILE   56 - HD2   HIS  122  13.63 +/- 0.34   0.524% *  7.8157% (0.98   0.02   0.02) =   0.958%
          HG3   PRO   68 - HD2   HIS  122  12.96 +/- 0.94   0.908% *  1.9882% (0.25   0.02   0.02) =   0.422%
          HB    ILE  103 - HD2   HIS  122  13.26 +/- 0.48   0.553% *  2.2169% (0.28   0.02   0.02) =   0.287%
          HB3   LYS+  38 - HD2   HIS  122  17.09 +/- 0.92   0.138% *  7.9559% (1.00   0.02   0.02) =   0.256%
          HB3   GLN   30 - HD2   HIS  122  18.67 +/- 0.62   0.076% *  7.3605% (0.92   0.02   0.02) =   0.131%
          HB2   MET   92 - HD2   HIS  122  18.67 +/- 0.41   0.075% *  6.3847% (0.80   0.02   0.02) =   0.112%
          QB    LYS+  33 - HD2   HIS  122  17.60 +/- 0.74   0.110% *  3.5748% (0.45   0.02   0.02) =   0.092%
          HG2   ARG+  54 - HD2   HIS  122  19.62 +/- 0.62   0.059% *  2.4610% (0.31   0.02   0.02) =   0.034%
          HB3   GLN   90 - HD2   HIS  122  25.37 +/- 0.50   0.012% *  4.1951% (0.53   0.02   0.02) =   0.012%
          QB    LYS+  81 - HD2   HIS  122  26.31 +/- 0.33   0.010% *  4.8362% (0.61   0.02   0.02) =   0.011%
    Distance limit 5.50 A violated in 7 structures by 0.23 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 = 0.923, support = 5.57, residual support = 49.3:
          HB2   LYS+ 121 - HD2   HIS  122   3.65 +/- 0.38  96.151% * 97.7981% (0.92   5.57  49.33) =  99.992%  kept
          HB2   LEU  123 - HD2   HIS  122   6.61 +/- 0.46   3.624% *  0.2002% (0.53   0.02  38.09) =   0.008%
          QD    LYS+  65 - HD2   HIS  122  13.18 +/- 0.43   0.052% *  0.3600% (0.95   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HD2   HIS  122  15.00 +/- 0.97   0.025% *  0.2908% (0.76   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   HIS  122  17.24 +/- 1.21   0.013% *  0.3797% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   HIS  122  14.60 +/- 0.70   0.029% *  0.1428% (0.38   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   HIS  122  12.93 +/- 0.34   0.059% *  0.0587% (0.15   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HD2   HIS  122  14.85 +/- 0.75   0.026% *  0.1058% (0.28   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   HIS  122  17.20 +/- 0.54   0.011% *  0.2155% (0.57   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   HIS  122  22.87 +/- 0.52   0.002% *  0.3730% (0.98   0.02   0.02) =   0.000%
          HB3   MET   92 - HD2   HIS  122  17.77 +/- 0.75   0.009% *  0.0753% (0.20   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 254 (1.53, 6.83, 120.22 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 4.78, residual support = 49.3:
          HB3   LYS+ 121 - HD2   HIS  122   3.55 +/- 0.39  93.674% * 98.0207% (1.00   4.78  49.33) =  99.988%  kept
          HD2   LYS+ 121 - HD2   HIS  122   6.26 +/- 0.68   5.270% *  0.1401% (0.34   0.02  49.33) =   0.008%
          QD    LYS+  66 - HD2   HIS  122   8.48 +/- 0.73   0.626% *  0.2983% (0.73   0.02   0.02) =   0.002%
          HG    LEU  104 - HD2   HIS  122   9.45 +/- 0.45   0.302% *  0.4099% (1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HD2   HIS  122  12.59 +/- 0.38   0.057% *  0.3965% (0.97   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   HIS  122  15.37 +/- 0.56   0.017% *  0.3886% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD2   HIS  122  13.11 +/- 0.41   0.044% *  0.1142% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HD2   HIS  122  19.55 +/- 1.48   0.004% *  0.1401% (0.34   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   HIS  122  19.00 +/- 0.27   0.005% *  0.0915% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 255 (0.98, 6.83, 120.22 ppm):
    8 chemical-shift based assignments, quality = 0.23, support = 1.92, residual support = 6.73:
          QG2   ILE  119 - HD2   HIS  122   4.64 +/- 0.37  40.116% * 77.9075% (0.18   2.07   7.18) =  92.433%  kept
          QD1   LEU   67 - HD2   HIS  122   4.96 +/- 1.86  54.180% *  4.2840% (1.00   0.02   1.31) =   6.865%  kept
          QD2   LEU   40 - HD2   HIS  122   6.55 +/- 0.41   4.862% *  4.2935% (1.00   0.02   0.02) =   0.617%
          QG2   ILE  103 - HD2   HIS  122   9.29 +/- 0.41   0.589% *  4.1435% (0.97   0.02   0.02) =   0.072%
          QD1   ILE  103 - HD2   HIS  122  11.70 +/- 0.52   0.147% *  1.3252% (0.31   0.02   0.02) =   0.006%
          QD2   LEU   71 - HD2   HIS  122  13.04 +/- 0.31   0.072% *  1.7651% (0.41   0.02   0.02) =   0.004%
          HG3   LYS+  74 - HD2   HIS  122  16.64 +/- 0.82   0.018% *  3.8505% (0.90   0.02   0.02) =   0.002%
        T HB    VAL   75 - HD2   HIS  122  16.60 +/- 0.81   0.017% *  2.4308% (0.57   0.02   0.02) =   0.001%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 257 (0.84, 6.83, 120.22 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 4.51, residual support = 38.1:
          QD1   LEU  123 - HD2   HIS  122   4.09 +/- 0.20  89.150% * 52.7415% (0.49   4.53  38.09) =  95.575%  kept
          QD2   LEU  123 - HD2   HIS  122   6.70 +/- 0.20   4.657% * 46.3990% (0.49   3.99  38.09) =   4.393%  kept
          HB3   LEU  104 - HD2   HIS  122   7.40 +/- 0.46   2.812% *  0.3993% (0.84   0.02   0.02) =   0.023%
          QG1   VAL   70 - HD2   HIS  122   7.26 +/- 0.40   3.120% *  0.1329% (0.28   0.02   0.02) =   0.008%
          QG1   VAL   18 - HD2   HIS  122  11.51 +/- 0.60   0.194% *  0.0946% (0.20   0.02   0.02) =   0.000%
          QD1   LEU   71 - HD2   HIS  122  13.67 +/- 0.72   0.067% *  0.2327% (0.49   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 258 (0.24, 6.83, 120.22 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 1.3, residual support = 3.92:
        T QG2   THR  118 - HD2   HIS  122   3.03 +/- 0.06 100.000% *100.0000% (0.69   1.30   3.92) = 100.000%  kept
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 259 (-1.01, 8.33, 138.33 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 260 (1.38, 7.32, 120.14 ppm):
    30 chemical-shift based assignments, quality = 0.937, support = 1.22, residual support = 10.0:
          HB3   LEU   73 - HE3   TRP   27   3.25 +/- 0.40  93.874% * 85.6856% (0.94   1.22  10.05) =  99.974%  kept
          HG3   LYS+  65 - HN    LEU   67   6.01 +/- 0.35   3.069% *  0.2260% (0.15   0.02   0.02) =   0.009%
          HB3   LYS+  74 - HE3   TRP   27   7.17 +/- 0.31   0.940% *  0.4574% (0.31   0.02   0.02) =   0.005%
          HG3   LYS+  33 - HE3   TRP   27  10.29 +/- 0.93   0.146% *  1.4785% (0.99   0.02   0.02) =   0.003%
          HB2   LEU   80 - HE3   TRP   27   7.61 +/- 0.38   0.672% *  0.2595% (0.17   0.02  15.20) =   0.002%
          HB    VAL   42 - HE3   TRP   27  10.60 +/- 0.55   0.114% *  1.4525% (0.97   0.02   0.02) =   0.002%
          HB    VAL   42 - HN    LEU   67   7.88 +/- 0.52   0.605% *  0.2260% (0.15   0.02   0.02) =   0.002%
          QB    LEU   98 - HE3   TRP   27  10.65 +/- 0.79   0.138% *  0.8389% (0.56   0.02   0.02) =   0.001%
          QB    ALA   84 - HE3   TRP   27  10.13 +/- 0.25   0.122% *  0.2932% (0.20   0.02   0.02) =   0.000%
          HG    LEU   98 - HE3   TRP   27  10.85 +/- 1.12   0.143% *  0.2005% (0.13   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HE3   TRP   27  14.53 +/- 1.23   0.020% *  1.1324% (0.76   0.02   0.02) =   0.000%
          QB    ALA   12 - HE3   TRP   27  18.45 +/- 2.14   0.006% *  1.2377% (0.83   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HE3   TRP   27  17.45 +/- 0.51   0.005% *  1.4525% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   67  13.72 +/- 0.39   0.022% *  0.2181% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HE3   TRP   27  19.06 +/- 1.14   0.003% *  1.3679% (0.91   0.02   0.02) =   0.000%
          HB3   PRO   93 - HE3   TRP   27  15.49 +/- 0.86   0.011% *  0.3299% (0.22   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   67  15.02 +/- 1.51   0.014% *  0.1926% (0.13   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   67  14.03 +/- 0.48   0.018% *  0.1305% (0.09   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   67  16.46 +/- 1.42   0.006% *  0.2301% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   67  16.43 +/- 0.98   0.007% *  0.1762% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   67  13.99 +/- 0.55   0.018% *  0.0712% (0.05   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   67  14.32 +/- 1.10   0.019% *  0.0641% (0.04   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HE3   TRP   27  23.57 +/- 0.58   0.001% *  1.2854% (0.86   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HE3   TRP   27  21.20 +/- 1.10   0.002% *  0.4120% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   67  19.15 +/- 0.75   0.003% *  0.2000% (0.13   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   67  14.56 +/- 0.95   0.015% *  0.0312% (0.02   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   67  20.93 +/- 0.90   0.002% *  0.2128% (0.14   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   67  17.64 +/- 0.79   0.005% *  0.0513% (0.03   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   67  21.80 +/- 0.38   0.001% *  0.0456% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   67  23.02 +/- 0.51   0.001% *  0.0404% (0.03   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :    244
      with diagonal assignment               :     32
      without assignment possibility         :      8
      with one assignment possibility        :     20
      with multiple assignment possibilities :    184
      with given assignment possibilities    :      0
      with unique volume contribution        :    143
      with multiple volume contributions     :     61
      eliminated by violation filter         :     26
 
    Peaks:
      selected                               :    244
      without assignment                     :     39
      with assignment                        :    205
      with unique assignment                 :    165
      with multiple assignment               :     40
      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             :    173
 
    Atoms with eliminated volume contribution > 2.5:
    HZ2   TRP   27       3.0
    HZ3   TRP   87       3.9
    HZ2   TRP   87       3.1
    HH2   TRP   87       3.0
    QD    PHE   97       3.0