- 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 = 46.1:
      O   HA    MET   11 - HN    MET   11   2.67 +/- 0.28  98.133% * 96.0143% (0.95   3.36  46.12) =  99.991%  kept
          HA    ALA   12 - HN    MET   11   5.60 +/- 0.55   1.831% *  0.4387% (0.73   0.02  12.21) =   0.009%
          HA    GLU-  14 - HN    MET   11  10.78 +/- 1.00   0.034% *  0.3664% (0.61   0.02   0.02) =   0.000%
          HA    THR   39 - HN    MET   11  21.53 +/- 3.58   0.001% *  0.1865% (0.31   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    MET   11  26.98 +/- 2.73   0.000% *  0.5577% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    MET   11  28.73 +/- 4.17   0.000% *  0.2267% (0.38   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    MET   11  30.20 +/- 3.48   0.000% *  0.4617% (0.76   0.02   0.02) =   0.000%
          HB    THR   77 - HN    MET   11  32.19 +/- 3.73   0.000% *  0.5240% (0.87   0.02   0.02) =   0.000%
          HA    SER   85 - HN    MET   11  34.35 +/- 4.04   0.000% *  0.5240% (0.87   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    MET   11  33.68 +/- 4.34   0.000% *  0.4150% (0.69   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    MET   11  32.15 +/- 3.24   0.000% *  0.1506% (0.25   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    MET   11  35.99 +/- 3.19   0.000% *  0.1345% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 270 (4.31, 8.37, 125.10 ppm):
    9 chemical-shift based assignments, quality = 0.584, support = 2.75, residual support = 12.4:
      O   HA    ALA   12 - HN    ALA   12   2.56 +/- 0.32  57.054% * 58.7953% (0.71   2.38  12.52) =  66.655%  kept
      O   HA    MET   11 - HN    ALA   12   2.69 +/- 0.10  42.852% * 39.1595% (0.32   3.50  12.21) =  33.344%  kept
          HA    GLU-  14 - HN    ALA   12   8.08 +/- 0.90   0.094% *  0.4974% (0.72   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    ALA   12  24.96 +/- 2.57   0.000% *  0.2050% (0.30   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   12  32.71 +/- 3.99   0.000% *  0.4974% (0.72   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   12  30.31 +/- 2.64   0.000% *  0.3810% (0.55   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   12  30.74 +/- 3.49   0.000% *  0.1701% (0.25   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   12  28.55 +/- 2.96   0.000% *  0.1243% (0.18   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   12  33.21 +/- 3.70   0.000% *  0.1701% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 271 (4.33, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.135, support = 1.72, residual support = 5.17:
      O   HA    ALA   12 - HN    SER   13   2.46 +/- 0.20  98.158% * 83.0261% (0.14   1.72   5.17) =  99.968%  kept
          HA    GLU-  14 - HN    SER   13   4.87 +/- 0.43   1.842% *  1.4086% (0.20   0.02   6.65) =   0.032%
          HA    PHE   59 - HN    SER   13  23.87 +/- 1.30   0.000% *  3.7450% (0.53   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    SER   13  28.33 +/- 2.49   0.000% *  6.9771% (0.98   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    SER   13  28.31 +/- 2.04   0.000% *  3.7450% (0.53   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    SER   13  30.99 +/- 2.68   0.000% *  1.0983% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (3.87, 8.24, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.06, residual support = 7.5:
      O   QB    SER   13 - HN    SER   13   2.89 +/- 0.30  99.985% * 95.3834% (0.87   2.06   7.50) = 100.000%  kept
          HB3   SER   37 - HN    SER   13  15.30 +/- 3.06   0.009% *  1.0475% (0.98   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   13  15.78 +/- 2.56   0.006% *  0.9584% (0.90   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   13  28.44 +/- 1.23   0.000% *  0.9584% (0.90   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   13  29.74 +/- 1.95   0.000% *  1.0475% (0.98   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   13  28.51 +/- 2.87   0.000% *  0.6050% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 273 (4.43, 8.27, 122.56 ppm):
    9 chemical-shift based assignments, quality = 0.806, support = 5.47, residual support = 51.1:
      O   HA    GLN   17 - HN    VAL   18   2.59 +/- 0.03  99.714% * 98.3719% (0.81   5.47  51.08) = 100.000%  kept
          HA    GLU-  15 - HN    VAL   18   7.20 +/- 0.36   0.225% *  0.1073% (0.24   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    VAL   18  11.79 +/- 0.41   0.012% *  0.3973% (0.89   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   18  10.12 +/- 0.44   0.029% *  0.0958% (0.21   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   18  13.89 +/- 0.61   0.004% *  0.3289% (0.74   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   18  12.44 +/- 1.29   0.013% *  0.1073% (0.24   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   18  18.11 +/- 0.68   0.001% *  0.3595% (0.81   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   18  16.32 +/- 0.77   0.002% *  0.1468% (0.33   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   18  20.76 +/- 1.29   0.000% *  0.0852% (0.19   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 274 (4.02, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.362, support = 5.73, residual support = 78.4:
      O   HA    VAL   18 - HN    VAL   18   2.87 +/- 0.00  99.360% * 96.1792% (0.36   5.73  78.41) =  99.997%  kept
          HA1   GLY   16 - HN    VAL   18   6.72 +/- 0.03   0.604% *  0.4012% (0.43   0.02   0.02) =   0.003%
          HA    VAL   70 - HN    VAL   18  11.48 +/- 0.48   0.025% *  0.7762% (0.84   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    VAL   18  15.80 +/- 0.67   0.004% *  0.7165% (0.77   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   18  17.62 +/- 0.56   0.002% *  0.7762% (0.84   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   18  16.58 +/- 0.50   0.003% *  0.5066% (0.55   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   18  17.19 +/- 0.38   0.002% *  0.3679% (0.40   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   18  23.66 +/- 0.50   0.000% *  0.2762% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 275 (4.41, 8.32, 122.30 ppm):
    10 chemical-shift based assignments, quality = 0.672, support = 2.1, residual support = 6.65:
      O   HA    SER   13 - HN    GLU-  14   2.46 +/- 0.21  98.701% * 94.7968% (0.67   2.10   6.65) =  99.988%  kept
          HA    GLU-  15 - HN    GLU-  14   5.34 +/- 0.55   1.256% *  0.9008% (0.67   0.02   1.33) =   0.012%
          HA    GLN   17 - HN    GLU-  14   9.64 +/- 0.82   0.037% *  0.6778% (0.51   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLU-  14  14.99 +/- 2.34   0.003% *  0.6778% (0.51   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLU-  14  17.80 +/- 1.60   0.001% *  0.7797% (0.58   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  14  20.10 +/- 1.08   0.000% *  0.8830% (0.66   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLU-  14  17.82 +/- 1.46   0.001% *  0.1847% (0.14   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  14  22.58 +/- 1.53   0.000% *  0.7474% (0.56   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  14  23.21 +/- 1.47   0.000% *  0.2078% (0.16   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  14  24.03 +/- 0.93   0.000% *  0.1440% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 276 (7.72, 8.66, 110.73 ppm):
    6 chemical-shift based assignments, quality = 0.132, support = 4.28, residual support = 18.4:
          HN    GLN   17 - HN    GLY   16   2.39 +/- 0.10  99.984% * 88.6220% (0.13   4.28  18.36) = 100.000%  kept
          HN    ALA   61 - HN    GLY   16  12.65 +/- 0.39   0.005% *  3.0311% (0.97   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLY   16  11.83 +/- 1.52   0.010% *  0.4719% (0.15   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLY   16  15.94 +/- 0.92   0.001% *  2.1007% (0.67   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLY   16  19.88 +/- 1.42   0.000% *  2.8230% (0.90   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLY   16  25.31 +/- 0.74   0.000% *  2.9513% (0.94   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 277 (8.66, 7.69, 115.83 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 4.28, residual support = 18.4:
        T HN    GLY   16 - HN    GLN   17   2.39 +/- 0.10 100.000% * 99.3199% (1.00   4.28  18.36) = 100.000%  kept
          HN    SER  117 - HN    GLN   17  22.02 +/- 0.24   0.000% *  0.4169% (0.90   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN   17  24.11 +/- 0.63   0.000% *  0.2632% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 278 (4.42, 8.66, 110.73 ppm):
    9 chemical-shift based assignments, quality = 0.497, support = 2.6, residual support = 8.06:
      O   HA    GLU-  15 - HN    GLY   16   2.54 +/- 0.18  97.904% * 29.8708% (0.47   2.59   7.58) =  95.513%  kept
          HA    GLN   17 - HN    GLY   16   4.92 +/- 0.09   2.014% * 68.2130% (0.97   2.90  18.36) =   4.486%  kept
          HA    SER   13 - HN    GLY   16   9.07 +/- 0.43   0.053% *  0.2308% (0.47   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLY   16  12.85 +/- 1.59   0.008% *  0.4700% (0.97   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLY   16  12.26 +/- 1.06   0.009% *  0.3257% (0.67   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLY   16  12.44 +/- 1.33   0.009% *  0.1463% (0.30   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLY   16  15.27 +/- 0.45   0.002% *  0.2126% (0.44   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLY   16  19.21 +/- 0.49   0.001% *  0.4576% (0.94   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLY   16  21.94 +/- 0.67   0.000% *  0.0732% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 279 (4.00, 8.66, 110.73 ppm):
    10 chemical-shift based assignments, quality = 0.791, support = 0.0195, residual support = 0.0195:
          HA    VAL   18 - HN    GLY   16   6.63 +/- 0.14  65.500% * 12.6997% (0.90   0.02   0.02) =  78.803%  kept
          HA    VAL   70 - HN    GLY   16   7.74 +/- 1.19  31.981% *  6.1679% (0.44   0.02   0.02) =  18.687%  kept
          HA    LYS+  33 - HN    GLY   16  12.56 +/- 1.29   1.573% * 10.5138% (0.75   0.02   0.02) =   1.566%
          HA    GLU-  29 - HN    GLY   16  15.62 +/- 1.02   0.393% * 12.3380% (0.87   0.02   0.02) =   0.460%
          HA    GLN   32 - HN    GLY   16  15.86 +/- 1.27   0.366% *  9.4500% (0.67   0.02   0.02) =   0.327%
          HA    SER   48 - HN    GLY   16  22.67 +/- 0.85   0.043% * 12.6997% (0.90   0.02   0.02) =   0.052%
          HA    GLN  116 - HN    GLY   16  20.38 +/- 0.40   0.076% *  6.1679% (0.44   0.02   0.02) =   0.045%
          HB2   SER   82 - HN    GLY   16  26.08 +/- 1.00   0.018% * 13.2768% (0.94   0.02   0.02) =   0.022%
          HD2   PRO   52 - HN    GLY   16  23.59 +/- 0.51   0.033% *  6.6964% (0.47   0.02   0.02) =   0.021%
          HA    ALA   88 - HN    GLY   16  26.05 +/- 1.14   0.018% *  9.9899% (0.71   0.02   0.02) =   0.017%
    Distance limit 3.47 A violated in 20 structures by 2.70 A, eliminated.
    Peak unassigned.
 
    Peak 280 (4.42, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.939, support = 4.97, residual support = 75.3:
      O   HA    GLN   17 - HN    GLN   17   2.89 +/- 0.01  63.415% * 82.3659% (0.99   5.29  83.81) =  89.739%  kept
          HA    GLU-  15 - HN    GLN   17   3.19 +/- 0.26  36.493% * 16.3645% (0.49   2.14   0.67) =  10.260%  kept
          HA    SER   13 - HN    GLN   17   9.48 +/- 0.72   0.061% *  0.1529% (0.49   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    GLN   17  12.12 +/- 0.67   0.012% *  0.2158% (0.69   0.02   0.02) =   0.000%
          HA    SER   37 - HN    GLN   17  14.72 +/- 1.23   0.004% *  0.3114% (0.99   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLN   17  13.55 +/- 0.45   0.006% *  0.1409% (0.45   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    GLN   17  13.47 +/- 0.87   0.007% *  0.0970% (0.31   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLN   17  17.44 +/- 0.42   0.001% *  0.3032% (0.97   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   17  20.14 +/- 0.71   0.001% *  0.0485% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 281 (7.45, 6.81, 112.50 ppm):
    8 chemical-shift based assignments, quality = 0.699, support = 1.0, residual support = 83.8:
      O T HE21  GLN   17 - HE22  GLN   17   1.73 +/- 0.00 100.000% * 93.1582% (0.70   1.00  83.81) = 100.000%  kept
          HN    LEU  123 - HE22  GLN   17  22.54 +/- 0.96   0.000% *  1.6306% (0.61   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   17  23.01 +/- 1.08   0.000% *  1.7782% (0.67   0.02   0.02) =   0.000%
        T HE21  GLN   17 - HE22  GLN   32  22.15 +/- 2.29   0.000% *  1.0716% (0.40   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   17  23.27 +/- 1.17   0.000% *  0.2544% (0.10   0.02   0.02) =   0.000%
          HN    LEU  123 - HE22  GLN   32  29.52 +/- 1.21   0.000% *  0.9379% (0.35   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN   32  31.19 +/- 1.36   0.000% *  1.0228% (0.38   0.02   0.02) =   0.000%
          HN    ALA  120 - HE22  GLN   32  31.44 +/- 0.93   0.000% *  0.1463% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 282 (6.82, 7.45, 112.50 ppm):
    5 chemical-shift based assignments, quality = 0.633, support = 1.0, residual support = 83.8:
      O   HE22  GLN   17 - HE21  GLN   17   1.73 +/- 0.00 100.000% * 95.1713% (0.63   1.00  83.81) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN   17  19.05 +/- 1.07   0.000% *  1.4579% (0.48   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   17  22.87 +/- 2.22   0.000% *  1.5412% (0.51   0.02   0.02) =   0.000%
          HE22  GLN   32 - HE21  GLN   17  22.15 +/- 2.29   0.000% *  1.0331% (0.34   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   17  28.60 +/- 1.80   0.000% *  0.7966% (0.26   0.02   0.02) =   0.000%
    Distance limit 2.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 284 (4.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.315, support = 3.56, residual support = 25.5:
      O   HA1   GLY   16 - HN    GLN   17   3.19 +/- 0.01  91.829% * 22.9393% (0.22   3.47  18.36) =  78.194%  kept
          HA    VAL   18 - HN    GLN   17   4.81 +/- 0.08   7.916% * 74.1936% (0.65   3.87  51.08) =  21.801%  kept
          HA    VAL   70 - HN    GLN   17   9.08 +/- 0.79   0.199% *  0.5920% (1.00   0.02   0.02) =   0.004%
          HB2   SER   37 - HN    GLN   17  12.48 +/- 1.17   0.030% *  0.3121% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN   17  13.78 +/- 0.97   0.016% *  0.4956% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN   17  15.83 +/- 0.76   0.006% *  0.4075% (0.69   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   17  19.63 +/- 0.34   0.002% *  0.5920% (1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   17  20.62 +/- 0.86   0.001% *  0.1321% (0.22   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   17  25.16 +/- 0.74   0.000% *  0.3359% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 2.46, residual support = 5.03:
          HA    LEU   73 - HN    ILE   19   2.61 +/- 0.33 100.000% *100.0000% (0.87   2.46   5.03) = 100.000%  kept
    Distance limit 3.64 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 = 4.82, residual support = 22.6:
      O   HA    VAL   18 - HN    ILE   19   2.21 +/- 0.04  99.945% * 96.8579% (0.65   4.82  22.56) = 100.000%  kept
          HA    VAL   70 - HN    ILE   19  10.33 +/- 0.47   0.010% *  0.6202% (1.00   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    ILE   19   8.28 +/- 0.39   0.037% *  0.1384% (0.22   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   19  13.19 +/- 0.46   0.002% *  0.5192% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   19  13.05 +/- 0.39   0.002% *  0.4270% (0.69   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    ILE   19  13.31 +/- 0.58   0.002% *  0.3270% (0.53   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   19  18.96 +/- 0.28   0.000% *  0.6202% (1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   19  15.89 +/- 0.83   0.001% *  0.1384% (0.22   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ILE   19  19.77 +/- 0.51   0.000% *  0.3519% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 290 (4.17, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.55, residual support = 164.7:
      O   HA    ILE   19 - HN    ILE   19   2.88 +/- 0.02  99.957% * 99.1115% (0.87   6.55 164.67) = 100.000%  kept
          HA    THR   26 - HN    ILE   19  11.14 +/- 0.39   0.031% *  0.1835% (0.53   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ILE   19  14.57 +/- 0.49   0.006% *  0.3479% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ILE   19  14.92 +/- 0.25   0.005% *  0.2256% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ILE   19  21.51 +/- 0.34   0.001% *  0.0776% (0.22   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ILE   19  20.28 +/- 0.37   0.001% *  0.0538% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 291 (4.17, 8.71, 131.46 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.05, residual support = 25.3:
      O   HA    ILE   19 - HN    ALA   20   2.26 +/- 0.06  99.973% * 98.9678% (0.97   5.05  25.30) = 100.000%  kept
          HA    THR   26 - HN    ALA   20   9.21 +/- 0.30   0.023% *  0.1525% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    ALA   20  13.24 +/- 0.23   0.003% *  0.3253% (0.80   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    ALA   20  15.74 +/- 0.57   0.001% *  0.3982% (0.98   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   20  19.70 +/- 0.35   0.000% *  0.1013% (0.25   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   20  24.97 +/- 0.39   0.000% *  0.0550% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 292 (4.63, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.14, residual support = 15.2:
      O   HA    ALA   20 - HN    ALA   20   2.92 +/- 0.02  99.946% * 99.6539% (0.97   3.14  15.22) = 100.000%  kept
          HA    LEU   71 - HN    ALA   20  10.34 +/- 0.44   0.054% *  0.3461% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 293 (8.46, 7.93, 121.01 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 3.13, residual support = 8.54:
        T HN    LYS+  74 - HN    CYS   21   2.99 +/- 0.23  99.487% * 97.0175% (0.76   3.13   8.54) =  99.996%  kept
          HN    THR   46 - HN    CYS   21   7.68 +/- 0.37   0.408% *  0.8123% (1.00   0.02   0.02) =   0.003%
          HN    LYS+ 112 - HN    ILE  119   9.78 +/- 0.20   0.088% *  0.0640% (0.08   0.02   0.02) =   0.000%
          HN    MET   92 - HN    CYS   21  16.21 +/- 0.50   0.004% *  0.7684% (0.95   0.02   0.02) =   0.000%
          HN    MET   11 - HN    CYS   21  20.47 +/- 3.21   0.004% *  0.3340% (0.41   0.02   0.02) =   0.000%
          HN    THR   46 - HN    ILE  119  17.27 +/- 0.31   0.003% *  0.2567% (0.32   0.02   0.02) =   0.000%
          HN    MET   92 - HN    ILE  119  18.58 +/- 0.51   0.002% *  0.2428% (0.30   0.02   0.02) =   0.000%
        T HN    LYS+  74 - HN    ILE  119  17.89 +/- 0.31   0.002% *  0.1962% (0.24   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HN    CYS   21  21.92 +/- 0.33   0.001% *  0.2026% (0.25   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE  119  32.82 +/- 1.67   0.000% *  0.1055% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 3.08, residual support = 15.6:
      O   HA    ALA   20 - HN    CYS   21   2.21 +/- 0.01  99.994% * 99.2899% (0.95   3.08  15.59) = 100.000%  kept
          HA    LEU   71 - HN    CYS   21  11.69 +/- 0.41   0.005% *  0.1519% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  119  20.02 +/- 0.38   0.000% *  0.2039% (0.30   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   21  21.09 +/- 0.35   0.000% *  0.2327% (0.34   0.02   0.02) =   0.000%
          HA    LEU   71 - HN    ILE  119  16.40 +/- 0.45   0.001% *  0.0480% (0.07   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    ILE  119  17.99 +/- 0.35   0.000% *  0.0735% (0.11   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 295 (4.22, 7.86, 120.86 ppm):
    4 chemical-shift based assignments, quality = 0.832, support = 3.84, residual support = 41.0:
      O   HA    ASP-  62 - HN    ASP-  62   2.82 +/- 0.02  99.992% * 98.9880% (0.83   3.84  41.02) = 100.000%  kept
          HA    SER  117 - HN    ASP-  62  13.76 +/- 0.36   0.008% *  0.3883% (0.63   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ASP-  62  21.29 +/- 0.39   0.001% *  0.5300% (0.85   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ASP-  62  26.36 +/- 0.38   0.000% *  0.0937% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (4.37, 7.86, 120.86 ppm):
    7 chemical-shift based assignments, quality = 0.523, support = 1.5, residual support = 6.51:
          HA    PHE   59 - HN    ASP-  62   3.85 +/- 0.10  98.002% * 92.4913% (0.52   1.50   6.51) =  99.973%  kept
          HA    ILE   56 - HN    ASP-  62   7.47 +/- 0.18   1.848% *  1.2332% (0.52   0.02   0.02) =   0.025%
          HA    LEU  123 - HN    ASP-  62  12.26 +/- 0.51   0.099% *  0.9897% (0.42   0.02   0.02) =   0.001%
          HA    ASP- 113 - HN    ASP-  62  14.37 +/- 0.40   0.037% *  2.0287% (0.86   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    ASP-  62  18.35 +/- 0.48   0.008% *  1.6281% (0.69   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP-  62  22.47 +/- 0.51   0.002% *  1.3153% (0.56   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP-  62  21.16 +/- 0.53   0.004% *  0.3137% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.04 A, kept.
 
    Peak 297 (7.32, 9.10, 120.75 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 3.42, residual support = 23.9:
          HN    THR   23 - HN    HIS   22   1.95 +/- 0.10  99.956% * 97.3455% (0.69   3.42  23.89) = 100.000%  kept
          HE3   TRP   27 - HN    HIS   22   7.25 +/- 0.31   0.039% *  0.8263% (1.00   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    HIS   22  10.85 +/- 0.33   0.004% *  0.1450% (0.18   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    HIS   22  15.20 +/- 0.31   0.000% *  0.6013% (0.73   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    HIS   22  22.00 +/- 0.55   0.000% *  0.8263% (1.00   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    HIS   22  20.15 +/- 0.43   0.000% *  0.2556% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 298 (4.62, 9.10, 120.75 ppm):
    3 chemical-shift based assignments, quality = 0.945, support = 0.02, residual support = 5.15:
          HA    ALA   20 - HN    HIS   22   6.00 +/- 0.14  99.509% * 62.6587% (0.95   0.02   5.15) =  99.880%  kept
          HA    LEU   71 - HN    HIS   22  14.75 +/- 0.38   0.460% * 14.7469% (0.22   0.02   0.02) =   0.109%
          HA    LYS+ 102 - HN    HIS   22  23.21 +/- 0.46   0.030% * 22.5944% (0.34   0.02   0.02) =   0.011%
    Distance limit 3.86 A violated in 20 structures by 2.14 A, eliminated.
    Peak unassigned.
 
    Peak 299 (8.11, 7.33, 104.59 ppm):
    4 chemical-shift based assignments, quality = 0.672, support = 3.73, residual support = 13.8:
        T HN    THR   26 - HN    THR   23   3.83 +/- 0.13  93.299% * 75.3588% (0.69   3.81  14.08) =  97.764%  kept
          HN    LEU   80 - HN    THR   23   6.02 +/- 0.26   6.652% * 24.1721% (0.34   2.46  10.99) =   2.236%
          HN    ALA   34 - HN    THR   23  13.92 +/- 0.17   0.041% *  0.1434% (0.25   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    THR   23  18.36 +/- 0.49   0.008% *  0.3257% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 3.42, residual support = 23.9:
        T HN    HIS   22 - HN    THR   23   1.95 +/- 0.10  99.889% * 99.4454% (0.99   3.42  23.89) =  99.999%  kept
          HN    ASP-  76 - HN    THR   23   6.20 +/- 0.33   0.111% *  0.5546% (0.95   0.02   0.02) =   0.001%
    Distance limit 3.47 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 = 7.29, residual support = 35.8:
        T HN    GLU-  25 - HN    VAL   24   2.61 +/- 0.07  99.132% * 99.6091% (0.98   7.29  35.83) =  99.999%  kept
          HN    ASN   28 - HN    VAL   24   5.78 +/- 0.14   0.863% *  0.1146% (0.41   0.02  13.25) =   0.001%
          HN    ASP-  44 - HN    VAL   24  13.41 +/- 0.48   0.006% *  0.2763% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 302 (9.21, 8.78, 120.28 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 7.29, residual support = 35.8:
        T HN    VAL   24 - HN    GLU-  25   2.61 +/- 0.07 100.000% *100.0000% (1.00   7.29  35.83) = 100.000%  kept
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 303 (8.12, 8.78, 120.28 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.31, residual support = 27.7:
        T HN    THR   26 - HN    GLU-  25   2.93 +/- 0.02  99.999% * 99.9398% (0.97   5.31  27.70) = 100.000%  kept
          HN    LEU   71 - HN    GLU-  25  18.73 +/- 0.29   0.001% *  0.0602% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 304 (8.78, 8.12, 116.43 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.31, residual support = 27.7:
        T HN    GLU-  25 - HN    THR   26   2.93 +/- 0.02  91.403% * 99.4641% (0.98   5.31  27.70) =  99.985%  kept
          HN    ASN   28 - HN    THR   26   4.36 +/- 0.14   8.586% *  0.1571% (0.41   0.02   0.11) =   0.015%
          HN    ASP-  44 - HN    THR   26  13.32 +/- 0.43   0.011% *  0.3788% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 305 (7.74, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.42, residual support = 20.0:
          HN    TRP   27 - HN    THR   26   2.61 +/- 0.06  99.983% * 98.4447% (0.99   4.42  19.98) = 100.000%  kept
          HD1   TRP   87 - HN    THR   26  12.10 +/- 0.23   0.010% *  0.2723% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR   26  15.94 +/- 0.29   0.002% *  0.1685% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    THR   26  15.06 +/- 0.15   0.003% *  0.1119% (0.25   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR   26  17.85 +/- 0.30   0.001% *  0.2904% (0.65   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR   26  19.79 +/- 0.79   0.001% *  0.3431% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    THR   26  20.55 +/- 0.34   0.000% *  0.3084% (0.69   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    THR   26  21.56 +/- 1.28   0.000% *  0.0608% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 306 (7.34, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.81, residual support = 14.1:
          HN    THR   23 - HN    THR   26   3.83 +/- 0.13  96.621% * 97.8146% (0.97   3.81  14.08) =  99.991%  kept
          HE3   TRP   27 - HN    THR   26   7.47 +/- 0.21   1.801% *  0.2587% (0.49   0.02  19.98) =   0.005%
          HD2   HIS   22 - HN    THR   26   7.81 +/- 0.63   1.519% *  0.2383% (0.45   0.02   0.02) =   0.004%
          QE    PHE   95 - HN    THR   26  17.90 +/- 0.33   0.009% *  0.5027% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    THR   26  13.98 +/- 0.45   0.042% *  0.0719% (0.14   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    THR   26  20.13 +/- 0.53   0.005% *  0.3223% (0.61   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    THR   26  22.22 +/- 0.38   0.003% *  0.4906% (0.92   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    THR   26  25.32 +/- 0.45   0.001% *  0.3009% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 0.798, support = 3.81, residual support = 35.7:
          HN    THR   23 - HN    TRP   27   3.84 +/- 0.20  79.982% * 30.2188% (0.69   3.16   2.03) =  64.263%  kept
          HE3   TRP   27 - HN    TRP   27   4.93 +/- 0.20  19.470% * 69.0336% (1.00   4.98  96.23) =  35.736%  kept
          HN    LYS+  81 - HN    TRP   27  10.75 +/- 0.38   0.177% *  0.0487% (0.18   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    ALA   91  11.20 +/- 0.46   0.139% *  0.0249% (0.09   0.02   0.02) =   0.000%
          QE    PHE   95 - HN    TRP   27  15.90 +/- 0.35   0.016% *  0.2019% (0.73   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   91  14.74 +/- 0.87   0.028% *  0.0343% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   91  11.19 +/- 1.02   0.148% *  0.0060% (0.02   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    ALA   91  15.13 +/- 0.82   0.023% *  0.0343% (0.12   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   27  23.66 +/- 0.44   0.002% *  0.2774% (1.00   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   27  20.31 +/- 0.36   0.004% *  0.0858% (0.31   0.02   0.02) =   0.000%
          HN    THR   23 - HN    ALA   91  17.14 +/- 0.85   0.011% *  0.0236% (0.08   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    ALA   91  23.55 +/- 0.51   0.002% *  0.0106% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 4.42, residual support = 20.0:
        T HN    THR   26 - HN    TRP   27   2.61 +/- 0.06  99.996% * 99.8631% (0.97   4.42  19.98) = 100.000%  kept
          HN    LEU   71 - HN    TRP   27  14.77 +/- 0.34   0.003% *  0.0722% (0.15   0.02   0.02) =   0.000%
        T HN    THR   26 - HN    ALA   91  19.79 +/- 0.79   0.001% *  0.0558% (0.12   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ALA   91  22.16 +/- 0.61   0.000% *  0.0089% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 309 (8.62, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.117, support = 6.75, residual support = 32.7:
        T HN    GLN   90 - HN    ALA   91   2.29 +/- 0.36  99.629% * 93.1277% (0.12   6.75  32.73) =  99.999%  kept
          HN    GLY  109 - HN    ALA   91   6.62 +/- 1.02   0.347% *  0.1535% (0.07   0.02   0.02) =   0.001%
          HN    SER   82 - HN    TRP   27  11.10 +/- 0.50   0.011% *  0.5256% (0.22   0.02   0.02) =   0.000%
        T HN    GLN   90 - HN    TRP   27  15.87 +/- 1.28   0.002% *  2.2334% (0.95   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  19.50 +/- 0.40   0.000% *  2.3610% (1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    ALA   91  11.85 +/- 0.97   0.010% *  0.0649% (0.03   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  20.42 +/- 0.32   0.000% *  1.2421% (0.53   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  18.08 +/- 0.53   0.001% *  0.2917% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 310 (8.80, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.9, residual support = 44.2:
        T HN    ASN   28 - HN    TRP   27   2.87 +/- 0.06  89.636% * 99.3651% (0.99   4.90  44.25) =  99.982%  kept
          HN    GLU-  25 - HN    TRP   27   4.12 +/- 0.14  10.317% *  0.1534% (0.38   0.02   0.02) =   0.018%
          HN    ASP-  44 - HN    TRP   27  10.97 +/- 0.46   0.030% *  0.1681% (0.41   0.02   0.02) =   0.000%
          HN    ASP-  44 - HN    ALA   91  12.51 +/- 0.46   0.013% *  0.0208% (0.05   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    TRP   27  20.37 +/- 0.41   0.001% *  0.1990% (0.49   0.02   0.02) =   0.000%
        T HN    ASN   28 - HN    ALA   91  18.57 +/- 0.75   0.001% *  0.0501% (0.12   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    ALA   91  19.14 +/- 0.87   0.001% *  0.0190% (0.05   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    ALA   91  26.10 +/- 0.68   0.000% *  0.0246% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 311 (7.18, 10.20, 129.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 2.01, residual support = 96.2:
      O   HD1   TRP   27 - HE1   TRP   27   2.64 +/- 0.00  99.822% * 96.5528% (0.76   2.01  96.23) =  99.998%  kept
          HE21  GLN   30 - HE1   TRP   27   8.50 +/- 1.74   0.177% *  1.2490% (0.99   0.02   0.02) =   0.002%
          QD    PHE   59 - HE1   TRP   27  16.51 +/- 0.53   0.002% *  0.9630% (0.76   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE1   TRP   27  23.83 +/- 0.38   0.000% *  1.2352% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 312 (6.73, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 1.2, residual support = 96.2:
      O   HZ2   TRP   27 - HE1   TRP   27   2.85 +/- 0.00  99.998% * 98.2228% (0.45   1.20  96.23) = 100.000%  kept
          HZ    PHE   72 - HE1   TRP   27  16.96 +/- 0.55   0.002% *  1.7772% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 313 (8.30, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.975, support = 5.02, residual support = 29.7:
          HN    GLU-  29 - HN    ASN   28   2.66 +/- 0.07  92.958% * 70.0690% (0.98   5.10  30.42) =  96.911%  kept
          HN    GLN   30 - HN    ASN   28   4.14 +/- 0.16   7.026% * 29.5495% (0.80   2.63   6.34) =   3.089%  kept
          HN    ASP-  86 - HN    ASN   28  12.07 +/- 0.39   0.011% *  0.2432% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    ASN   28  17.05 +/- 2.57   0.002% *  0.0624% (0.22   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    ASN   28  16.52 +/- 0.22   0.002% *  0.0379% (0.14   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    ASN   28  20.78 +/- 1.79   0.000% *  0.0379% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 314 (7.74, 8.80, 115.33 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.9, residual support = 44.3:
          HN    TRP   27 - HN    ASN   28   2.87 +/- 0.06  99.870% * 98.5946% (0.99   4.90  44.25) = 100.000%  kept
          HD1   TRP   87 - HN    ASN   28   9.32 +/- 0.34   0.087% *  0.2460% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    ASN   28  12.63 +/- 0.37   0.014% *  0.1522% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    ASN   28  11.96 +/- 0.19   0.019% *  0.1011% (0.25   0.02   0.02) =   0.000%
          HN    THR   39 - HN    ASN   28  14.78 +/- 0.14   0.005% *  0.2624% (0.65   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   28  18.57 +/- 0.75   0.001% *  0.3100% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    ASN   28  20.29 +/- 0.36   0.001% *  0.2786% (0.69   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    ASN   28  17.55 +/- 1.35   0.002% *  0.0549% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 315 (7.17, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.06, residual support = 44.2:
          HD1   TRP   27 - HN    ASN   28   3.03 +/- 0.42  97.931% * 98.0244% (0.41   5.07  44.25) =  99.985%  kept
          HE21  GLN   30 - HN    ASN   28   6.76 +/- 1.92   2.066% *  0.7195% (0.76   0.02   6.34) =   0.015%
          QD    PHE   59 - HN    ASN   28  18.52 +/- 0.36   0.002% *  0.3870% (0.41   0.02   0.02) =   0.000%
          HH2   TRP   49 - HN    ASN   28  25.92 +/- 0.37   0.000% *  0.8691% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 317 (6.97, 7.61, 111.81 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 2.0, residual support = 89.5:
      O   HD22  ASN   28 - HD21  ASN   28   1.73 +/- 0.00 100.000% * 99.5447% (0.98   2.00  89.52) = 100.000%  kept
          QE    PHE   72 - HD21  ASN   28  18.60 +/- 0.52   0.000% *  0.4553% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 318 (4.18, 7.61, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 1.37, residual support = 4.36:
          HA    GLU-  25 - HD21  ASN   28   3.75 +/- 0.27  99.882% * 96.8388% (1.00   1.37   4.36) =  99.999%  kept
          HA    SER   82 - HD21  ASN   28  12.26 +/- 0.83   0.099% *  0.7996% (0.57   0.02   0.02) =   0.001%
          HA    ILE   19 - HD21  ASN   28  15.98 +/- 0.31   0.018% *  1.3360% (0.95   0.02   0.02) =   0.000%
          HA    CYS   53 - HD21  ASN   28  24.72 +/- 0.65   0.001% *  1.0256% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 5.67, residual support = 87.2:
      O   HA    ASN   28 - HN    ASN   28   2.75 +/- 0.01  95.485% * 63.5039% (0.84   5.71  89.52) =  97.446%  kept
          HA    THR   26 - HN    ASN   28   4.60 +/- 0.15   4.497% * 35.3493% (0.65   4.10   0.11) =   2.554%  kept
          HA    ALA   34 - HN    ASN   28  12.04 +/- 0.12   0.014% *  0.2570% (0.97   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASN   28  15.53 +/- 2.21   0.004% *  0.2657% (1.00   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ASN   28  23.80 +/- 0.41   0.000% *  0.2310% (0.87   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASN   28  27.39 +/- 0.52   0.000% *  0.2519% (0.95   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASN   28  24.55 +/- 0.77   0.000% *  0.0822% (0.31   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASN   28  30.15 +/- 0.89   0.000% *  0.0593% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 320 (4.50, 7.73, 123.24 ppm):
    10 chemical-shift based assignments, quality = 0.934, support = 4.69, residual support = 93.3:
      O   HA    TRP   27 - HN    TRP   27   2.75 +/- 0.02  59.043% * 93.9630% (0.97   4.77  96.23) =  96.471%  kept
      O   HA    ALA   91 - HN    ALA   91   2.93 +/- 0.02  40.931% *  4.9588% (0.10   2.46  12.43) =   3.529%  kept
          HA    VAL  107 - HN    ALA   91  11.73 +/- 1.07   0.013% *  0.0326% (0.08   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  12.70 +/- 0.38   0.006% *  0.0347% (0.08   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  18.99 +/- 0.85   0.001% *  0.3269% (0.80   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  22.04 +/- 0.29   0.000% *  0.2641% (0.65   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    ALA   91  13.52 +/- 1.01   0.005% *  0.0100% (0.02   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  17.38 +/- 0.67   0.001% *  0.0487% (0.12   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  23.59 +/- 0.41   0.000% *  0.2804% (0.69   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    TRP   27  26.27 +/- 0.31   0.000% *  0.0808% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 321 (4.22, 7.73, 123.24 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.35, residual support = 20.0:
          HB    THR   26 - HN    TRP   27   3.17 +/- 0.10  99.926% * 98.6816% (0.99   3.35  19.98) = 100.000%  kept
          HA    SER   82 - HN    TRP   27  12.93 +/- 0.47   0.023% *  0.1040% (0.18   0.02   0.02) =   0.000%
          HA    SER   82 - HN    ALA   91  11.61 +/- 0.93   0.047% *  0.0129% (0.02   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    TRP   27  22.30 +/- 0.29   0.001% *  0.5733% (0.97   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA   91  19.83 +/- 0.78   0.002% *  0.0728% (0.12   0.02   0.02) =   0.000%
          HA    SER  117 - HN    TRP   27  28.74 +/- 0.27   0.000% *  0.4314% (0.73   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   91  21.08 +/- 0.99   0.001% *  0.0533% (0.09   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    ALA   91  22.40 +/- 0.59   0.001% *  0.0708% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 322 (4.77, 8.12, 116.43 ppm):
    1 chemical-shift based assignment, quality = 0.154, support = 0.02, residual support = 0.02:
          HA    ASP- 105 - HN    THR   26  24.95 +/- 0.38 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 4.34 A violated in 20 structures by 20.61 A, eliminated.
    Peak unassigned.
 
    Peak 323 (4.20, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.199, support = 4.18, residual support = 28.3:
      O   HB    THR   26 - HN    THR   26   1.97 +/- 0.02  97.494% * 17.1800% (0.15   4.05  28.35) =  89.109%  kept
      O   HA    GLU-  25 - HN    THR   26   3.63 +/- 0.00   2.502% * 81.8296% (0.57   5.26  27.70) =  10.891%  kept
          HA    ILE   19 - HN    THR   26  11.19 +/- 0.39   0.003% *  0.1875% (0.34   0.02   0.02) =   0.000%
          HA    SER   82 - HN    THR   26  13.91 +/- 0.45   0.001% *  0.5484% (1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    THR   26  21.48 +/- 0.40   0.000% *  0.0848% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   26  24.11 +/- 0.31   0.000% *  0.1697% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 324 (4.82, 8.78, 120.28 ppm):
    5 chemical-shift based assignments, quality = 0.571, support = 2.96, residual support = 5.8:
          HB    THR   23 - HN    GLU-  25   2.52 +/- 0.11  95.486% * 29.3153% (0.53   2.88   5.80) =  90.203%  kept
          HA    THR   23 - HN    GLU-  25   4.23 +/- 0.17   4.346% * 69.9455% (0.98   3.69   5.80) =   9.795%  kept
          HA    LEU   80 - HN    GLU-  25   7.35 +/- 0.36   0.165% *  0.2657% (0.69   0.02   0.02) =   0.001%
          HA    ASP-  78 - HN    GLU-  25  14.21 +/- 0.35   0.003% *  0.3659% (0.95   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    GLU-  25  25.48 +/- 0.43   0.000% *  0.1076% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 126.9:
      O   HA    GLU-  25 - HN    GLU-  25   2.71 +/- 0.01  99.978% * 99.2622% (0.87   5.95 126.95) = 100.000%  kept
          HA    SER   82 - HN    GLU-  25  11.76 +/- 0.48   0.015% *  0.3448% (0.90   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    GLU-  25  13.79 +/- 0.31   0.006% *  0.2487% (0.65   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  25  22.38 +/- 0.41   0.000% *  0.1443% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 326 (4.83, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.633, support = 4.47, residual support = 23.9:
      O   HA    THR   23 - HN    VAL   24   2.43 +/- 0.09  62.276% * 71.5375% (0.73   4.26  23.92) =  81.404%  kept
          HB    THR   23 - HN    VAL   24   2.68 +/- 0.20  36.632% * 27.7768% (0.22   5.39  23.92) =  18.593%  kept
          HA    LEU   80 - HN    VAL   24   4.84 +/- 0.35   1.083% *  0.1579% (0.34   0.02  10.62) =   0.003%
          HA    ASP-  78 - HN    VAL   24  11.66 +/- 0.39   0.005% *  0.4467% (0.97   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    VAL   24  12.01 +/- 0.37   0.004% *  0.0811% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 327 (4.80, 7.33, 104.59 ppm):
    5 chemical-shift based assignments, quality = 0.71, support = 3.34, residual support = 19.3:
      O   HA    THR   23 - HN    THR   23   2.84 +/- 0.02  85.285% * 31.7770% (0.61   3.11  19.32) =  73.640%  kept
      O   HB    THR   23 - HN    THR   23   3.82 +/- 0.05  14.373% * 67.4883% (1.00   4.01  19.32) =  26.357%  kept
          HA    LEU   80 - HN    THR   23   7.26 +/- 0.38   0.325% *  0.3191% (0.95   0.02  10.99) =   0.003%
          HA    ASP-  78 - HN    THR   23  11.82 +/- 0.28   0.017% *  0.1041% (0.31   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    THR   23  23.93 +/- 0.30   0.000% *  0.3114% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 328 (4.64, 7.33, 104.59 ppm):
    2 chemical-shift based assignments, quality = 0.716, support = 0.0197, residual support = 0.0197:
          HA    ALA   20 - HN    THR   23   7.39 +/- 0.09  98.815% * 46.5057% (0.73   0.02   0.02) =  98.639%  kept
          HA    LEU   71 - HN    THR   23  15.47 +/- 0.36   1.185% * 53.4943% (0.84   0.02   0.02) =   1.361%
    Distance limit 3.90 A violated in 20 structures by 3.49 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 = 14.1:
          HB    THR   26 - HN    THR   23   3.16 +/- 0.19  99.975% * 98.3538% (0.99   2.25  14.08) = 100.000%  kept
          HA    SER   82 - HN    THR   23  12.88 +/- 0.37   0.024% *  0.1545% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HN    THR   23  22.14 +/- 0.27   0.001% *  0.8513% (0.97   0.02   0.02) =   0.000%
          HA    SER  117 - HN    THR   23  29.36 +/- 0.23   0.000% *  0.6405% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 330 (7.61, 6.97, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 2.0, residual support = 89.5:
      O   HD21  ASN   28 - HD22  ASN   28   1.73 +/- 0.00  99.988% * 97.8071% (0.98   2.00  89.52) = 100.000%  kept
          HZ2   TRP   87 - HD22  ASN   28   8.33 +/- 0.99   0.012% *  0.9890% (0.99   0.02   0.02) =   0.000%
          QE    PHE   60 - HD22  ASN   28  15.81 +/- 0.71   0.000% *  0.4857% (0.49   0.02   0.02) =   0.000%
          HN    LEU   63 - HD22  ASN   28  24.60 +/- 0.75   0.000% *  0.4102% (0.41   0.02   0.02) =   0.000%
          HN    ILE   56 - HD22  ASN   28  26.37 +/- 0.76   0.000% *  0.3080% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 331 (8.79, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 5.1, residual support = 30.4:
        T HN    ASN   28 - HN    GLU-  29   2.66 +/- 0.07  99.000% * 99.1410% (0.76   5.10  30.42) =  99.996%  kept
          HN    GLU-  25 - HN    GLU-  29   5.77 +/- 0.16   0.993% *  0.3695% (0.73   0.02   0.18) =   0.004%
          HN    ASP-  44 - HN    GLU-  29  13.22 +/- 0.33   0.007% *  0.3888% (0.76   0.02   0.02) =   0.000%
          HN    ASN   69 - HN    GLU-  29  20.02 +/- 0.36   0.001% *  0.1007% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 332 (7.84, 8.31, 118.54 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 7.02, residual support = 50.8:
        T HN    LEU   31 - HN    GLN   30   2.44 +/- 0.08  99.993% * 98.9685% (0.73   7.02  50.84) = 100.000%  kept
          HN    ALA   88 - HN    GLN   30  17.22 +/- 0.30   0.001% *  0.2044% (0.53   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   30  20.32 +/- 0.42   0.000% *  0.2513% (0.65   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LYS+  99  13.52 +/- 0.55   0.004% *  0.0185% (0.05   0.02   0.02) =   0.000%
        T HN    PHE   55 - HN    GLN   30  25.19 +/- 0.39   0.000% *  0.3749% (0.97   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    LYS+  99  15.68 +/- 0.50   0.001% *  0.0134% (0.03   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   30  24.15 +/- 0.53   0.000% *  0.1199% (0.31   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    LYS+  99  18.99 +/- 0.40   0.000% *  0.0165% (0.04   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LYS+  99  24.76 +/- 0.21   0.000% *  0.0246% (0.06   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    LYS+  99  25.38 +/- 0.31   0.000% *  0.0079% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 334 (7.85, 8.06, 119.69 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.83, residual support = 44.7:
        T HN    LEU   31 - HN    GLN   32   2.79 +/- 0.10  99.910% * 99.0548% (0.98   5.83  44.69) = 100.000%  kept
          HN    LYS+  38 - HN    GLN   32   9.05 +/- 0.17   0.088% *  0.0772% (0.22   0.02   0.02) =   0.000%
          HN    ALA   88 - HN    GLN   32  17.63 +/- 0.37   0.002% *  0.0772% (0.22   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    GLN   32  22.45 +/- 0.42   0.000% *  0.3281% (0.95   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    GLN   32  27.08 +/- 0.55   0.000% *  0.2244% (0.65   0.02   0.02) =   0.000%
        T HN    PHE   55 - HN    GLN   32  27.86 +/- 0.40   0.000% *  0.2383% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 335 (6.81, 7.57, 112.27 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 1.0, residual support = 43.1:
      O   HE22  GLN   32 - HE21  GLN   32   1.73 +/- 0.00 100.000% * 94.7686% (0.87   1.00  43.12) = 100.000%  kept
          HE22  GLN   17 - HE21  GLN   32  21.91 +/- 2.32   0.000% *  2.1418% (0.98   0.02   0.02) =   0.000%
          HE22  GLN   90 - HE21  GLN   32  26.10 +/- 3.35   0.000% *  1.6699% (0.76   0.02   0.02) =   0.000%
          HD2   HIS  122 - HE21  GLN   32  25.79 +/- 1.07   0.000% *  0.6744% (0.31   0.02   0.02) =   0.000%
          HE22  GLN  116 - HE21  GLN   32  34.57 +/- 1.38   0.000% *  0.7453% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 336 (7.58, 6.80, 112.28 ppm):
    15 chemical-shift based assignments, quality = 0.835, support = 1.0, residual support = 43.1:
      O T HE21  GLN   32 - HE22  GLN   32   1.73 +/- 0.00  99.968% * 88.5613% (0.83   1.00  43.12) = 100.000%  kept
          HN    ALA   84 - HE22  GLN   90   8.98 +/- 3.06   0.031% *  0.8010% (0.38   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   90  16.19 +/- 2.83   0.000% *  0.8010% (0.38   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   32  19.18 +/- 1.72   0.000% *  2.1018% (0.99   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   17  14.25 +/- 1.19   0.000% *  0.1542% (0.07   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   90  19.23 +/- 1.21   0.000% *  0.5868% (0.28   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   17  19.75 +/- 1.91   0.000% *  0.1846% (0.09   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   32  26.63 +/- 0.78   0.000% *  1.2862% (0.61   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   90  26.10 +/- 3.35   0.000% *  0.6750% (0.32   0.02   0.02) =   0.000%
          HN    LEU   63 - HE22  GLN   90  23.79 +/- 1.06   0.000% *  0.4902% (0.23   0.02   0.02) =   0.000%
        T HE21  GLN   32 - HE22  GLN   17  21.91 +/- 2.32   0.000% *  0.2124% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   32  31.79 +/- 1.07   0.000% *  2.1018% (0.99   0.02   0.02) =   0.000%
          HN    ALA   84 - HE22  GLN   17  23.22 +/- 1.14   0.000% *  0.2520% (0.12   0.02   0.02) =   0.000%
          HN    ILE   56 - HE22  GLN   32  31.70 +/- 0.88   0.000% *  1.5398% (0.73   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HE22  GLN   17  24.56 +/- 1.58   0.000% *  0.2520% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 338 (7.75, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.3, residual support = 45.7:
          HN    GLU-  36 - HN    ASN   35   2.68 +/- 0.09  98.532% * 98.6560% (0.90   5.30  45.72) =  99.994%  kept
          HN    THR   39 - HN    ASN   35   5.46 +/- 0.19   1.427% *  0.4007% (0.97   0.02   0.02) =   0.006%
          HN    LYS+ 102 - HN    ASN   35  11.43 +/- 1.42   0.023% *  0.3015% (0.73   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    ASN   35  11.88 +/- 0.16   0.013% *  0.1707% (0.41   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    ASN   35  14.33 +/- 0.41   0.004% *  0.4070% (0.98   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    ASN   35  23.60 +/- 0.47   0.000% *  0.0641% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 339 (6.53, 7.37, 110.13 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 2.0, residual support = 54.2:
      O T HD22  ASN   35 - HD21  ASN   35   1.73 +/- 0.00 100.000% *100.0000% (0.99   2.00  54.18) = 100.000%  kept
    Distance limit 2.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 340 (4.38, 8.36, 120.50 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 4.26, residual support = 54.2:
      O   HA    ASN   35 - HN    ASN   35   2.77 +/- 0.03  99.787% * 97.7081% (0.98   4.26  54.18) =  99.999%  kept
          HA    LYS+  99 - HN    ASN   35   9.08 +/- 0.58   0.086% *  0.4197% (0.90   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ASN   35   8.63 +/- 0.23   0.111% *  0.2278% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ASN   35  13.26 +/- 1.51   0.010% *  0.1445% (0.31   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ASN   35  16.58 +/- 3.01   0.004% *  0.1445% (0.31   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASN   35  22.31 +/- 0.94   0.000% *  0.4670% (1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ASN   35  24.86 +/- 0.34   0.000% *  0.4639% (0.99   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ASN   35  24.23 +/- 0.45   0.000% *  0.1596% (0.34   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ASN   35  29.77 +/- 0.45   0.000% *  0.2650% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 342 (7.19, 6.64, 111.61 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 2.52, residual support = 160.6:
      O   HE21  GLN   30 - HE22  GLN   30   1.73 +/- 0.00  99.971% * 97.6600% (0.90   2.52 160.63) = 100.000%  kept
          HD1   TRP   27 - HE22  GLN   30   7.17 +/- 1.09   0.029% *  0.8563% (0.99   0.02   0.02) =   0.000%
          QD    PHE   59 - HE22  GLN   30  14.16 +/- 0.59   0.000% *  0.8563% (0.99   0.02   0.02) =   0.000%
          HH2   TRP   49 - HE22  GLN   30  23.71 +/- 1.08   0.000% *  0.6274% (0.73   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 343 (6.64, 7.18, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 2.52, residual support = 160.6:
      O T HE22  GLN   30 - HE21  GLN   30   1.73 +/- 0.00 100.000% * 99.0359% (0.92   2.52 160.63) = 100.000%  kept
          HD22  ASN   69 - HE21  GLN   30  16.24 +/- 1.79   0.000% *  0.5163% (0.61   0.02   0.02) =   0.000%
          HN    TRP   49 - HE21  GLN   30  20.15 +/- 1.14   0.000% *  0.4478% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 344 (4.46, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.262, support = 0.0186, residual support = 0.0186:
          HA    VAL   42 - HN    LYS+  99   7.89 +/- 0.24  90.006% *  0.4257% (0.02   0.02   0.02) =  39.670%  kept
          HA    VAL   42 - HN    GLN   30  12.64 +/- 0.23   5.398% *  6.4793% (0.25   0.02   0.02) =  36.216%  kept
          HA    GLN   90 - HN    GLN   30  18.89 +/- 1.19   0.515% * 25.0767% (0.97   0.02   0.02) =  13.381%  kept
          HA    ALA  110 - HN    GLN   30  23.39 +/- 0.45   0.135% * 25.9267% (1.00   0.02   0.02) =   3.625%  kept
          HA    VAL  107 - HN    GLN   30  22.44 +/- 0.24   0.173% *  8.8635% (0.34   0.02   0.02) =   1.589%
          HA    VAL  107 - HN    LYS+  99  14.27 +/- 0.19   2.615% *  0.5823% (0.02   0.02   0.02) =   1.577%
          HA    PHE   55 - HN    GLN   30  26.37 +/- 0.43   0.066% * 21.7040% (0.84   0.02   0.02) =   1.473%
          HA    ALA   91 - HN    GLN   30  22.06 +/- 0.72   0.195% *  5.7850% (0.22   0.02   0.02) =   1.171%
          HA    ALA  110 - HN    LYS+  99  20.08 +/- 0.36   0.335% *  1.7034% (0.07   0.02   0.02) =   0.591%
          HA    GLN   90 - HN    LYS+  99  20.49 +/- 0.24   0.298% *  1.6475% (0.06   0.02   0.02) =   0.508%
          HA    PHE   55 - HN    LYS+  99  25.10 +/- 0.10   0.088% *  1.4259% (0.05   0.02   0.02) =   0.129%
          HA    ALA   91 - HN    LYS+  99  22.36 +/- 0.32   0.176% *  0.3801% (0.01   0.02   0.02) =   0.069%
    Distance limit 4.27 A violated in 20 structures by 3.53 A, eliminated.
    Peak unassigned.
 
    Peak 346 (8.09, 7.95, 120.58 ppm):
    4 chemical-shift based assignments, quality = 0.791, support = 4.8, residual support = 42.7:
          HN    ALA   34 - HN    LYS+  33   2.60 +/- 0.05  58.171% * 79.6093% (0.90   4.72  47.56) =  84.924%  kept
          HN    GLN   32 - HN    LYS+  33   2.75 +/- 0.06  41.829% * 19.6547% (0.20   5.28  15.31) =  15.076%  kept
          HN    LEU   80 - HN    LYS+  33  16.94 +/- 0.43   0.001% *  0.3631% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  33  25.87 +/- 0.37   0.000% *  0.3729% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 347 (7.36, 6.53, 110.12 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 54.2:
      O   HD21  ASN   35 - HD22  ASN   35   1.73 +/- 0.00 100.000% * 95.5852% (0.73   2.00  54.18) = 100.000%  kept
          HD2   HIS   22 - HD22  ASN   35  20.69 +/- 0.84   0.000% *  1.3134% (1.00   0.02   0.02) =   0.000%
          HN    THR   23 - HD22  ASN   35  17.41 +/- 0.72   0.000% *  0.4490% (0.34   0.02   0.02) =   0.000%
          HN    LEU   67 - HD22  ASN   35  22.00 +/- 0.70   0.000% *  0.9559% (0.73   0.02   0.02) =   0.000%
          QE    PHE   95 - HD22  ASN   35  20.52 +/- 0.76   0.000% *  0.4063% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   49 - HD22  ASN   35  29.13 +/- 0.81   0.000% *  1.2903% (0.98   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 348 (8.36, 7.76, 119.36 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 5.3, residual support = 45.7:
        T HN    ASN   35 - HN    GLU-  36   2.68 +/- 0.09  99.987% * 99.7030% (0.99   5.30  45.72) = 100.000%  kept
          HN    ALA   12 - HN    GLU-  36  18.13 +/- 4.40   0.003% *  0.2456% (0.65   0.02   0.02) =   0.000%
        T HN    LYS+  99 - HN    GLU-  36  12.60 +/- 0.50   0.010% *  0.0514% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 349 (7.74, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.3, support = 3.8, residual support = 17.4:
          HN    GLU-  36 - HN    SER   37   2.46 +/- 0.08  91.962% * 36.2866% (0.25   3.97  19.51) =  87.185%  kept
          HN    THR   39 - HN    SER   37   3.72 +/- 0.11   8.027% * 61.1064% (0.65   2.58   2.67) =  12.815%  kept
          HN    TRP   27 - HN    SER   37  14.88 +/- 0.21   0.002% *  0.7259% (0.99   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    SER   37  12.36 +/- 1.34   0.007% *  0.0991% (0.14   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    SER   37  17.70 +/- 0.44   0.001% *  0.4442% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    SER   37  16.90 +/- 0.49   0.001% *  0.2749% (0.38   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    SER   37  21.88 +/- 0.38   0.000% *  0.5031% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    SER   37  26.54 +/- 0.45   0.000% *  0.5597% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (7.74, 7.88, 117.58 ppm):
    8 chemical-shift based assignments, quality = 0.934, support = 4.66, residual support = 15.1:
          HN    THR   39 - HN    LYS+  38   2.81 +/- 0.01  86.738% * 81.2839% (0.95   4.76  15.59) =  96.798%  kept
          HN    GLU-  36 - HN    LYS+  38   3.85 +/- 0.06  13.215% * 17.6503% (0.57   1.73   0.63) =   3.202%  kept
          HN    LYS+ 102 - HN    LYS+  38  10.55 +/- 1.27   0.040% *  0.1356% (0.38   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    LYS+  38  16.24 +/- 0.24   0.002% *  0.2761% (0.76   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  38  17.81 +/- 0.53   0.001% *  0.3335% (0.92   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    LYS+  38  16.41 +/- 0.53   0.002% *  0.0489% (0.14   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    LYS+  38  22.21 +/- 0.30   0.000% *  0.1232% (0.34   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    LYS+  38  26.45 +/- 0.44   0.000% *  0.1485% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 351 (4.40, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.375, support = 4.58, residual support = 43.1:
      O   HA    ASN   35 - HN    GLU-  36   3.64 +/- 0.01  86.657% * 54.9406% (0.38   4.70  45.72) =  89.874%  kept
          HA    SER   37 - HN    GLU-  36   5.00 +/- 0.08  12.950% * 41.4061% (0.38   3.54  19.51) =  10.122%  kept
          HA    LEU   40 - HN    GLU-  36  10.18 +/- 0.16   0.182% *  0.6227% (1.00   0.02   0.02) =   0.002%
          HA    LYS+  99 - HN    GLU-  36  10.55 +/- 0.57   0.154% *  0.1553% (0.25   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    GLU-  36  14.11 +/- 1.54   0.031% *  0.5890% (0.95   0.02   0.02) =   0.000%
          HA    SER   13 - HN    GLU-  36  16.67 +/- 3.07   0.016% *  0.5890% (0.95   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    GLU-  36  18.24 +/- 0.71   0.006% *  0.2337% (0.38   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLU-  36  23.61 +/- 0.94   0.001% *  0.3276% (0.53   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    GLU-  36  26.31 +/- 0.42   0.001% *  0.6009% (0.97   0.02   0.02) =   0.000%
          HA    THR   46 - HN    GLU-  36  24.22 +/- 0.28   0.001% *  0.2792% (0.45   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  36  27.24 +/- 0.32   0.000% *  0.2560% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 352 (4.08, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 5.57, residual support = 83.6:
      O   HA    GLU-  36 - HN    GLU-  36   2.83 +/- 0.02  99.999% * 99.2468% (0.69   5.57  83.61) = 100.000%  kept
          HA    LYS+  66 - HN    GLU-  36  21.91 +/- 0.45   0.000% *  0.3566% (0.69   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    GLU-  36  23.01 +/- 0.43   0.000% *  0.2939% (0.57   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLU-  36  24.92 +/- 1.13   0.000% *  0.1027% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 353 (4.42, 7.91, 112.05 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.81, residual support = 25.7:
      O   HA    SER   37 - HN    SER   37   2.87 +/- 0.02  99.837% * 97.3166% (0.97   3.81  25.73) = 100.000%  kept
          HA    LEU   40 - HN    SER   37   8.73 +/- 0.10   0.127% *  0.2785% (0.53   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    SER   37  12.82 +/- 1.61   0.016% *  0.3843% (0.73   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    SER   37  13.17 +/- 0.12   0.011% *  0.2373% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - HN    SER   37  15.84 +/- 2.82   0.006% *  0.3843% (0.73   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    SER   37  16.86 +/- 0.80   0.003% *  0.5108% (0.97   0.02   0.02) =   0.000%
          HA    THR   46 - HN    SER   37  24.09 +/- 0.22   0.000% *  0.5246% (0.99   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    SER   37  25.06 +/- 0.44   0.000% *  0.3636% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (4.08, 7.91, 112.05 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.29, residual support = 19.5:
      O   HA    GLU-  36 - HN    SER   37   3.49 +/- 0.01  99.996% * 98.3671% (0.34   4.29  19.51) = 100.000%  kept
          HA    LYS+  66 - HN    SER   37  19.91 +/- 0.47   0.003% *  1.2976% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    SER   37  23.96 +/- 0.39   0.001% *  0.3353% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 355 (4.41, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 4.26, residual support = 8.34:
      O   HA    SER   37 - HN    LYS+  38   3.40 +/- 0.03  99.098% * 96.3779% (0.73   4.26   8.34) =  99.995%  kept
          HA    LEU   40 - HN    LYS+  38   7.56 +/- 0.04   0.827% *  0.5204% (0.84   0.02   0.02) =   0.005%
          HA    GLU-  15 - HN    LYS+  38  14.23 +/- 1.58   0.023% *  0.6013% (0.97   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    LYS+  38  12.79 +/- 0.10   0.035% *  0.1233% (0.20   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LYS+  38  17.71 +/- 2.66   0.007% *  0.6013% (0.97   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LYS+  38  17.76 +/- 0.75   0.005% *  0.4525% (0.73   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LYS+  38  24.48 +/- 0.20   0.001% *  0.4989% (0.80   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LYS+  38  25.30 +/- 0.37   0.001% *  0.5894% (0.95   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  38  20.66 +/- 1.03   0.002% *  0.1387% (0.22   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  38  26.24 +/- 0.25   0.000% *  0.0961% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (4.09, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 0.632, residual support = 0.632:
          HA    GLU-  36 - HN    LYS+  38   3.72 +/- 0.11  99.991% * 93.5619% (0.97   0.63   0.63) = 100.000%  kept
          HA    LYS+  66 - HN    LYS+  38  19.86 +/- 0.38   0.004% *  1.0458% (0.34   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  38  21.58 +/- 1.23   0.003% *  1.4923% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  38  24.44 +/- 0.48   0.001% *  2.7495% (0.90   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  38  30.03 +/- 0.56   0.000% *  1.1506% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 357 (4.27, 7.75, 114.55 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.34, residual support = 34.2:
      O   HA    THR   39 - HN    THR   39   2.92 +/- 0.01  99.975% * 96.7068% (1.00   3.34  34.24) = 100.000%  kept
          HA    ILE  103 - HN    THR   39  12.34 +/- 0.35   0.018% *  0.4204% (0.73   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    THR   39  16.68 +/- 0.19   0.003% *  0.3046% (0.53   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   39  19.34 +/- 3.63   0.003% *  0.2818% (0.49   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    THR   39  22.55 +/- 0.28   0.000% *  0.4425% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    THR   39  25.03 +/- 0.40   0.000% *  0.5739% (0.99   0.02   0.02) =   0.000%
          HA    SER   85 - HN    THR   39  23.53 +/- 0.45   0.000% *  0.3512% (0.61   0.02   0.02) =   0.000%
          HB    THR   77 - HN    THR   39  24.72 +/- 0.45   0.000% *  0.3512% (0.61   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   39  31.30 +/- 0.23   0.000% *  0.5675% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 358 (4.27, 8.88, 128.13 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.12, residual support = 24.2:
      O   HA    THR   39 - HN    LEU   40   2.32 +/- 0.01  99.985% * 97.3105% (1.00   4.12  24.24) = 100.000%  kept
          HA    ILE  103 - HN    LEU   40  10.36 +/- 0.35   0.013% *  0.3434% (0.73   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   40  14.69 +/- 0.25   0.002% *  0.2488% (0.53   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   40  19.94 +/- 0.37   0.000% *  0.3614% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   40  21.42 +/- 2.80   0.000% *  0.2302% (0.49   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU   40  23.26 +/- 0.46   0.000% *  0.2868% (0.61   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU   40  25.44 +/- 0.39   0.000% *  0.4687% (0.99   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU   40  23.88 +/- 0.45   0.000% *  0.2868% (0.61   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   40  29.17 +/- 0.25   0.000% *  0.4635% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (4.40, 8.88, 128.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.28, residual support = 104.6:
      O   HA    LEU   40 - HN    LEU   40   2.79 +/- 0.01  95.359% * 97.9170% (1.00   5.28 104.57) =  99.995%  kept
          HA    LYS+  99 - HN    LEU   40   4.80 +/- 0.47   4.354% *  0.0925% (0.25   0.02  12.71) =   0.004%
          HA    SER   37 - HN    LEU   40   8.26 +/- 0.04   0.141% *  0.1392% (0.38   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    LEU   40   8.60 +/- 0.29   0.114% *  0.1392% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU   40  12.54 +/- 1.35   0.014% *  0.3507% (0.95   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LEU   40  13.51 +/- 1.00   0.008% *  0.1951% (0.53   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    LEU   40  13.83 +/- 0.77   0.007% *  0.1392% (0.38   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   40  17.96 +/- 1.76   0.002% *  0.3507% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU   40  19.61 +/- 0.47   0.001% *  0.3578% (0.97   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU   40  20.64 +/- 0.38   0.001% *  0.1524% (0.41   0.02   0.02) =   0.000%
          HA    THR   46 - HN    LEU   40  21.14 +/- 0.22   0.001% *  0.1662% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (4.85, 9.02, 128.16 ppm):
    4 chemical-shift based assignments, quality = 0.223, support = 4.51, residual support = 69.0:
      O   HA    VAL   41 - HN    VAL   41   2.94 +/- 0.00  99.990% * 97.4900% (0.22   4.51  68.97) = 100.000%  kept
          HA    PHE   45 - HN    VAL   41  14.00 +/- 0.23   0.009% *  1.4826% (0.76   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   41  18.80 +/- 0.22   0.001% *  0.2993% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   41  22.64 +/- 0.33   0.000% *  0.7281% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (4.40, 9.02, 128.16 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.95, residual support = 17.8:
      O   HA    LEU   40 - HN    VAL   41   2.21 +/- 0.02  93.508% * 97.7824% (1.00   4.95  17.85) =  99.993%  kept
          HA    LYS+  99 - HN    VAL   41   3.61 +/- 0.43   6.424% *  0.0984% (0.25   0.02   0.02) =   0.007%
          HA    ASN   35 - HN    VAL   41   7.74 +/- 0.36   0.054% *  0.1482% (0.38   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   41  10.48 +/- 0.16   0.008% *  0.1482% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    VAL   41  13.26 +/- 1.25   0.002% *  0.3734% (0.95   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   41  13.90 +/- 0.41   0.002% *  0.1482% (0.38   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    VAL   41  15.04 +/- 0.80   0.001% *  0.2077% (0.53   0.02   0.02) =   0.000%
          HA    SER   13 - HN    VAL   41  18.95 +/- 1.99   0.000% *  0.3734% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    VAL   41  18.41 +/- 0.30   0.000% *  0.3810% (0.97   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   41  17.55 +/- 0.20   0.000% *  0.1770% (0.45   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    VAL   41  18.39 +/- 0.23   0.000% *  0.1623% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 362 (9.69, 9.02, 128.16 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.52, residual support = 15.0:
        T HN    LEU   98 - HN    VAL   41   3.37 +/- 0.29 100.000% *100.0000% (0.97   4.52  15.02) = 100.000%  kept
    Distance limit 4.11 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 = 6.07:
          HA    PHE   72 - HN    VAL   42   2.53 +/- 0.19 100.000% *100.0000% (0.22   1.27   6.07) = 100.000%  kept
    Distance limit 4.15 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 = 5.16, residual support = 23.6:
      O   HA    VAL   41 - HN    VAL   42   2.19 +/- 0.01  99.994% * 97.7956% (0.22   5.16  23.59) = 100.000%  kept
          HA    PHE   45 - HN    VAL   42  11.12 +/- 0.10   0.006% *  1.3021% (0.76   0.02   0.02) =   0.000%
          HA    THR   23 - HN    VAL   42  16.83 +/- 0.35   0.000% *  0.2629% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    VAL   42  20.22 +/- 0.17   0.000% *  0.6395% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (4.45, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 5.46, residual support = 87.6:
      O   HA    VAL   42 - HN    VAL   42   2.92 +/- 0.01  99.913% * 98.7549% (0.87   5.46  87.63) = 100.000%  kept
          HA    GLN   17 - HN    VAL   42  10.20 +/- 0.39   0.057% *  0.1286% (0.31   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   42  12.49 +/- 0.32   0.016% *  0.1286% (0.31   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   42  16.17 +/- 0.36   0.003% *  0.2360% (0.57   0.02   0.02) =   0.000%
          HA    THR   46 - HN    VAL   42  14.35 +/- 0.12   0.007% *  0.1039% (0.25   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   42  17.90 +/- 0.76   0.002% *  0.2863% (0.69   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   42  19.33 +/- 0.31   0.001% *  0.3616% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 366 (4.44, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.03, residual support = 39.4:
      O   HA    VAL   42 - HN    VAL   43   2.20 +/- 0.02  99.988% * 98.8272% (1.00   5.03  39.39) = 100.000%  kept
          HA    THR   46 - HN    VAL   43  11.40 +/- 0.15   0.005% *  0.2231% (0.57   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    VAL   43  13.02 +/- 0.37   0.002% *  0.2549% (0.65   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    VAL   43  13.13 +/- 0.39   0.002% *  0.0982% (0.25   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    VAL   43  13.93 +/- 0.58   0.002% *  0.1344% (0.34   0.02   0.02) =   0.000%
          HA    SER   37 - HN    VAL   43  16.01 +/- 0.27   0.001% *  0.2549% (0.65   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    VAL   43  17.65 +/- 0.30   0.000% *  0.2073% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 368 (4.90, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 2.75, residual support = 6.0:
          HA    LYS+  74 - HN    ASP-  44   3.05 +/- 0.21  99.684% * 95.9999% (0.28   2.75   6.00) =  99.998%  kept
          HA    VAL   41 - HN    ASP-  44   8.22 +/- 0.17   0.285% *  0.4974% (0.20   0.02   0.02) =   0.001%
          HA    MET   92 - HN    ASP-  44  12.42 +/- 0.57   0.025% *  2.1803% (0.87   0.02   0.02) =   0.001%
          HA    HIS  122 - HN    ASP-  44  15.53 +/- 0.32   0.006% *  1.3224% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 15.3:
      O   HA    VAL   43 - HN    ASP-  44   2.19 +/- 0.01  99.982% * 99.0257% (0.87   3.70  15.35) = 100.000%  kept
          HA    LEU   71 - HN    ASP-  44   9.84 +/- 0.20   0.012% *  0.3001% (0.49   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASP-  44  11.40 +/- 0.40   0.005% *  0.3001% (0.49   0.02   0.02) =   0.000%
          HA    ASN   69 - HN    ASP-  44  15.45 +/- 0.29   0.001% *  0.3740% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 370 (4.30, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.487, support = 3.77, residual support = 34.8:
      O   HA    ASP-  44 - HN    ASP-  44   2.92 +/- 0.00  99.923% * 94.5217% (0.49   3.77  34.83) = 100.000%  kept
          HB    THR   77 - HN    ASP-  44  11.18 +/- 0.35   0.032% *  0.4232% (0.41   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP-  44  14.73 +/- 0.39   0.006% *  1.0271% (1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  44  12.20 +/- 0.20   0.019% *  0.3177% (0.31   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP-  44  13.71 +/- 0.39   0.009% *  0.4232% (0.41   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  44  14.91 +/- 0.20   0.006% *  0.7071% (0.69   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  44  16.56 +/- 1.58   0.004% *  1.0090% (0.98   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  44  21.55 +/- 2.14   0.001% *  1.0294% (1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  44  23.60 +/- 3.08   0.001% *  0.5416% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 371 (8.02, 8.74, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 3.3, residual support = 27.1:
        T HN    THR   94 - HN    PHE   45   3.09 +/- 0.17  99.913% * 99.2856% (0.84   3.30  27.12) =  99.999%  kept
          HN    GLU-  79 - HN    PHE   45  10.07 +/- 0.24   0.087% *  0.7144% (0.99   0.02   0.02) =   0.001%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 372 (6.84, 8.74, 125.75 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.91, residual support = 77.1:
          QD    PHE   45 - HN    PHE   45   2.33 +/- 0.24  99.996% * 98.3330% (0.53   4.91  77.13) = 100.000%  kept
          HD2   HIS  122 - HN    PHE   45  13.47 +/- 0.40   0.003% *  0.7349% (0.97   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    PHE   45  18.41 +/- 0.80   0.000% *  0.7204% (0.95   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    PHE   45  18.22 +/- 1.04   0.001% *  0.2117% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 373 (5.96, 8.74, 125.75 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 1.89, residual support = 1.89:
          HA    PHE   95 - HN    PHE   45   3.88 +/- 0.17 100.000% *100.0000% (1.00   1.89   1.89) = 100.000%  kept
    Distance limit 4.53 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 = 3.98, residual support = 77.1:
      O   HA    PHE   45 - HN    PHE   45   2.90 +/- 0.03  99.952% * 99.5663% (0.99   3.98  77.13) = 100.000%  kept
          HA    VAL   41 - HN    PHE   45  11.73 +/- 0.19   0.023% *  0.2655% (0.53   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    PHE   45  11.70 +/- 0.21   0.023% *  0.0683% (0.14   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    PHE   45  17.03 +/- 0.32   0.002% *  0.0999% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (4.29, 8.74, 125.75 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.04, residual support = 12.6:
      O   HA    ASP-  44 - HN    PHE   45   2.27 +/- 0.02  99.906% * 96.6698% (1.00   4.04  12.56) = 100.000%  kept
          HB    THR   77 - HN    PHE   45   8.05 +/- 0.35   0.052% *  0.4746% (0.99   0.02  10.99) =   0.000%
          HA    SER   85 - HN    PHE   45  11.20 +/- 0.56   0.007% *  0.4746% (0.99   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    PHE   45   9.31 +/- 0.54   0.023% *  0.0839% (0.18   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    PHE   45  12.90 +/- 0.24   0.003% *  0.4529% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    PHE   45  12.60 +/- 0.28   0.003% *  0.2904% (0.61   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    PHE   45  13.25 +/- 0.44   0.003% *  0.2147% (0.45   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    PHE   45  13.88 +/- 0.22   0.002% *  0.1968% (0.41   0.02   0.02) =   0.000%
          HA    THR   39 - HN    PHE   45  18.31 +/- 0.24   0.000% *  0.2519% (0.53   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    PHE   45  20.35 +/- 1.57   0.000% *  0.1797% (0.38   0.02   0.02) =   0.000%
          HA    MET   11 - HN    PHE   45  27.38 +/- 3.23   0.000% *  0.4777% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    PHE   45  25.31 +/- 2.17   0.000% *  0.2331% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 376 (6.83, 8.46, 117.19 ppm):
    6 chemical-shift based assignments, quality = 0.223, support = 4.42, residual support = 12.5:
          QD    PHE   45 - HN    THR   46   4.11 +/- 0.11  99.830% * 94.4437% (0.22   4.42  12.49) =  99.999%  kept
          HE22  GLN   90 - HN    THR   46  13.04 +/- 1.62   0.123% *  0.2962% (0.15   0.02   0.02) =   0.000%
          HD2   HIS  122 - HN    THR   46  17.35 +/- 0.37   0.018% *  1.8159% (0.95   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    THR   46  17.47 +/- 1.29   0.019% *  1.1643% (0.61   0.02   0.02) =   0.000%
          HE22  GLN  116 - HN    THR   46  21.15 +/- 0.87   0.006% *  1.8526% (0.97   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    THR   46  23.12 +/- 1.12   0.003% *  0.4274% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 377 (5.00, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.74, residual support = 3.97:
          HA    ASP-  76 - HN    THR   46   2.57 +/- 0.25  99.999% * 98.8093% (0.53   2.74   3.97) = 100.000%  kept
          HA    LEU   67 - HN    THR   46  19.14 +/- 0.74   0.001% *  1.1907% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.00 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   2.24 +/- 0.04  99.951% * 99.5063% (0.76   3.97  12.49) = 100.000%  kept
          HA    ASP-  78 - HN    THR   46   8.22 +/- 0.16   0.041% *  0.2463% (0.38   0.02   0.02) =   0.000%
          HA    THR   23 - HN    THR   46  11.13 +/- 0.34   0.007% *  0.1013% (0.15   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    THR   46  14.59 +/- 0.16   0.001% *  0.1461% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (4.44, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.25, residual support = 34.5:
      O   HA    THR   46 - HN    THR   46   2.95 +/- 0.00  99.529% * 96.4272% (0.57   3.25  34.52) =  99.998%  kept
          HA    GLN   90 - HN    THR   46   8.13 +/- 1.64   0.394% *  0.3576% (0.34   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    THR   46  12.05 +/- 0.17   0.021% *  1.0460% (1.00   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    THR   46  10.84 +/- 0.35   0.041% *  0.2614% (0.25   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    THR   46  14.13 +/- 0.26   0.008% *  0.5515% (0.53   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    THR   46  15.28 +/- 0.51   0.005% *  0.6782% (0.65   0.02   0.02) =   0.000%
          HA    SER   37 - HN    THR   46  23.95 +/- 0.34   0.000% *  0.6782% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 381 (9.28, 8.46, 117.19 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 3.62, residual support = 12.3:
          HN    THR   77 - HN    THR   46   3.05 +/- 0.16 100.000% *100.0000% (1.00   3.62  12.29) = 100.000%  kept
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 382 (4.57, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.804, support = 1.91, residual support = 10.1:
          HA    CYS   50 - HN    ALA   47   2.55 +/- 0.16  69.339% * 33.8865% (0.73   1.53  10.28) =  54.465%  kept
      O   HA    ALA   47 - HN    ALA   47   2.94 +/- 0.00  30.372% * 64.6770% (0.90   2.36   9.82) =  45.533%  kept
          HA    TRP   49 - HN    ALA   47   6.54 +/- 0.13   0.247% *  0.3209% (0.53   0.02  16.87) =   0.002%
          HA1   GLY  109 - HN    ALA   47   9.50 +/- 0.85   0.030% *  0.4190% (0.69   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    ALA   47  11.58 +/- 0.71   0.009% *  0.4884% (0.80   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA   47  13.46 +/- 0.42   0.003% *  0.2081% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 384 (4.44, 7.01, 120.97 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 3.07, residual support = 12.7:
      O   HA    THR   46 - HN    ALA   47   2.56 +/- 0.05  99.874% * 96.2234% (0.57   3.07  12.67) = 100.000%  kept
          HA    GLN   90 - HN    ALA   47   9.10 +/- 1.51   0.076% *  0.3780% (0.34   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   47   9.66 +/- 0.34   0.036% *  0.2763% (0.25   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    ALA   47  11.79 +/- 0.22   0.011% *  0.5830% (0.53   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ALA   47  15.62 +/- 0.14   0.002% *  1.1056% (1.00   0.02   0.02) =   0.000%
          HA    GLN   17 - HN    ALA   47  17.46 +/- 0.62   0.001% *  0.7168% (0.65   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   47  28.09 +/- 0.32   0.000% *  0.7168% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 386 (6.62, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.827, support = 4.33, residual support = 14.1:
        T HN    TRP   49 - HN    SER   48   2.87 +/- 0.02  87.764% * 79.6052% (0.84   4.42  14.59) =  96.597%  kept
          HN    CYS   50 - HN    SER   48   3.99 +/- 0.05  12.225% * 20.1324% (0.61   1.54   0.02) =   3.403%  kept
          HN    VAL   83 - HN    SER   48  13.43 +/- 0.51   0.009% *  0.0853% (0.20   0.02   0.02) =   0.000%
          HE22  GLN   30 - HN    SER   48  17.05 +/- 1.38   0.002% *  0.1772% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 387 (4.57, 9.44, 119.76 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 2.22, residual support = 6.29:
      O   HA    ALA   47 - HN    SER   48   2.37 +/- 0.01  98.754% * 97.0033% (0.90   2.22   6.29) =  99.992%  kept
          HA    CYS   50 - HN    SER   48   5.69 +/- 0.04   0.521% *  0.7063% (0.73   0.02   0.02) =   0.004%
          HA    TRP   49 - HN    SER   48   5.39 +/- 0.01   0.716% *  0.5117% (0.53   0.02  14.59) =   0.004%
          HA1   GLY  109 - HN    SER   48  12.65 +/- 0.84   0.005% *  0.6681% (0.69   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    SER   48  14.78 +/- 0.63   0.002% *  0.7788% (0.80   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    SER   48  13.90 +/- 0.70   0.003% *  0.3318% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 388 (7.35, 6.63, 116.57 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 4.51, residual support = 70.3:
          HD1   TRP   49 - HN    TRP   49   1.71 +/- 0.03  99.998% * 98.1420% (0.92   4.51  70.30) = 100.000%  kept
          QE    PHE   95 - HN    TRP   49  12.79 +/- 0.22   0.001% *  0.3053% (0.65   0.02   0.02) =   0.000%
          HD2   HIS   22 - HN    TRP   49  14.36 +/- 2.09   0.000% *  0.3779% (0.80   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    TRP   49  13.25 +/- 0.60   0.000% *  0.1177% (0.25   0.02   0.02) =   0.000%
          HN    THR   23 - HN    TRP   49  15.94 +/- 0.65   0.000% *  0.3242% (0.69   0.02   0.02) =   0.000%
          HE3   TRP   27 - HN    TRP   49  17.35 +/- 0.50   0.000% *  0.0934% (0.20   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    TRP   49  24.20 +/- 0.31   0.000% *  0.4626% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HN    TRP   49  29.04 +/- 0.79   0.000% *  0.1771% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 4.42, residual support = 14.6:
        T HN    SER   48 - HN    TRP   49   2.87 +/- 0.02 100.000% *100.0000% (0.84   4.42  14.59) = 100.000%  kept
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 390 (4.58, 6.60, 121.96 ppm):
    7 chemical-shift based assignments, quality = 0.972, support = 1.72, residual support = 6.48:
      O   HA    CYS   50 - HN    CYS   50   2.21 +/- 0.01  92.580% * 41.9515% (0.98   1.66   6.79) =  93.039%  kept
      O   HA    TRP   49 - HN    CYS   50   3.58 +/- 0.02   5.131% * 56.5004% (0.87   2.53   2.36) =   6.945%  kept
          HA    ALA   47 - HN    CYS   50   4.11 +/- 0.08   2.279% *  0.2914% (0.57   0.02  10.28) =   0.016%
          HA1   GLY  109 - HN    CYS   50  10.85 +/- 0.77   0.007% *  0.4968% (0.97   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    CYS   50  13.68 +/- 0.68   0.002% *  0.2308% (0.45   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    CYS   50  15.66 +/- 0.65   0.001% *  0.3536% (0.69   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    CYS   50  27.13 +/- 0.20   0.000% *  0.1756% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 391 (4.58, 6.63, 116.57 ppm):
    7 chemical-shift based assignments, quality = 0.86, support = 4.16, residual support = 65.2:
      O   HA    TRP   49 - HN    TRP   49   2.86 +/- 0.02  86.481% * 44.5076% (0.87   4.26  70.30) =  91.571%  kept
          HA    CYS   50 - HN    TRP   49   4.56 +/- 0.12   5.350% * 33.2607% (0.98   2.82   2.36) =   4.233%  kept
          HA    ALA   47 - HN    TRP   49   4.25 +/- 0.08   8.149% * 21.6442% (0.57   3.18  16.87) =   4.196%  kept
          HA1   GLY  109 - HN    TRP   49  12.40 +/- 0.74   0.014% *  0.2323% (0.97   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    TRP   49  16.12 +/- 0.72   0.003% *  0.1653% (0.69   0.02   0.02) =   0.000%
          HA    VAL  108 - HN    TRP   49  15.22 +/- 0.63   0.004% *  0.1079% (0.45   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    TRP   49  28.38 +/- 0.22   0.000% *  0.0821% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 392 (7.36, 11.10, 134.86 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 1.9, residual support = 70.3:
      O   HD1   TRP   49 - HE1   TRP   49   2.64 +/- 0.00  99.979% * 96.7911% (0.92   1.90  70.30) = 100.000%  kept
          QE    PHE   95 - HE1   TRP   49  11.22 +/- 0.58   0.018% *  0.2459% (0.22   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE1   TRP   49  16.55 +/- 2.09   0.002% *  1.0949% (0.99   0.02   0.02) =   0.000%
          HN    THR   23 - HE1   TRP   49  17.47 +/- 0.47   0.001% *  0.2754% (0.25   0.02   0.02) =   0.000%
          HN    LEU   67 - HE1   TRP   49  23.68 +/- 0.41   0.000% *  0.6700% (0.61   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE1   TRP   49  28.50 +/- 0.64   0.000% *  0.9227% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 393 (4.58, 9.57, 121.38 ppm):
    7 chemical-shift based assignments, quality = 0.977, support = 1.36, residual support = 1.31:
      O   HA    CYS   50 - HN    GLY   51   3.03 +/- 0.02  82.651% * 83.6728% (0.98   1.39   1.35) =  97.051%  kept
          HA    TRP   49 - HN    GLY   51   3.96 +/- 0.03  16.588% * 12.6334% (0.87   0.24   0.02) =   2.941%  kept
          HA    ALA   47 - HN    GLY   51   6.72 +/- 0.11   0.701% *  0.6953% (0.57   0.02   0.02) =   0.007%
          HA1   GLY  109 - HN    GLY   51  10.58 +/- 0.66   0.049% *  1.1853% (0.97   0.02   0.02) =   0.001%
          HA    VAL  108 - HN    GLY   51  14.00 +/- 0.66   0.009% *  0.5506% (0.45   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY   51  18.15 +/- 0.61   0.002% *  0.8436% (0.69   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY   51  28.54 +/- 0.19   0.000% *  0.4189% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 394 (4.26, 9.57, 121.38 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 3.17, residual support = 9.59:
      O   HA1   GLY   51 - HN    GLY   51   2.25 +/- 0.00  99.972% * 97.1728% (0.92   3.17   9.59) = 100.000%  kept
          HA    ALA   57 - HN    GLY   51  10.07 +/- 0.24   0.012% *  0.6591% (0.99   0.02   0.02) =   0.000%
          HB    THR   77 - HN    GLY   51  10.21 +/- 0.29   0.012% *  0.1849% (0.28   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    GLY   51  14.61 +/- 0.51   0.001% *  0.5082% (0.76   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLY   51  13.57 +/- 0.19   0.002% *  0.1481% (0.22   0.02   0.02) =   0.000%
          HA    SER   85 - HN    GLY   51  17.69 +/- 0.56   0.000% *  0.1849% (0.28   0.02   0.02) =   0.000%
          HA    SER  117 - HN    GLY   51  22.95 +/- 0.32   0.000% *  0.2053% (0.31   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLY   51  24.76 +/- 0.17   0.000% *  0.2496% (0.38   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLY   51  29.73 +/- 0.20   0.000% *  0.5555% (0.84   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLY   51  33.81 +/- 3.63   0.000% *  0.1316% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 395 (7.87, 8.09, 110.83 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 5.44, residual support = 30.5:
        T HN    ARG+  54 - HN    CYS   53   2.68 +/- 0.08  99.991% * 99.1790% (0.98   5.44  30.50) = 100.000%  kept
        T HN    ASP-  62 - HN    CYS   53  12.85 +/- 0.27   0.008% *  0.2700% (0.73   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    CYS   53  22.73 +/- 0.43   0.000% *  0.2405% (0.65   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    CYS   53  28.95 +/- 0.30   0.000% *  0.3105% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 396 (8.10, 7.87, 121.30 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 5.44, residual support = 30.5:
        T HN    CYS   53 - HN    ARG+  54   2.68 +/- 0.08  99.989% * 99.1629% (0.85   5.44  30.50) = 100.000%  kept
        T HN    CYS   53 - HN    ASP-  62  12.85 +/- 0.27   0.008% *  0.0682% (0.16   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ARG+  54  18.55 +/- 0.74   0.001% *  0.2791% (0.65   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ARG+  54  23.56 +/- 0.64   0.000% *  0.1386% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ASP-  62  19.68 +/- 0.41   0.001% *  0.0430% (0.10   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ARG+  54  26.15 +/- 0.42   0.000% *  0.2300% (0.54   0.02   0.02) =   0.000%
          HN    LEU   80 - HN    ASP-  62  21.66 +/- 0.76   0.000% *  0.0522% (0.12   0.02   0.02) =   0.000%
          HN    THR   26 - HN    ASP-  62  22.62 +/- 0.34   0.000% *  0.0259% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 397 (7.67, 7.87, 121.30 ppm):
    6 chemical-shift based assignments, quality = 0.232, support = 0.0197, residual support = 0.0197:
          HN    GLN   17 - HN    ASP-  62  11.29 +/- 0.33  72.396% *  4.3392% (0.10   0.02   0.02) =  53.815%  kept
          HD21  ASN   69 - HN    ASP-  62  14.03 +/- 1.10  21.085% *  5.8573% (0.14   0.02   0.02) =  21.157%  kept
          HN    TRP   87 - HN    ARG+  54  20.29 +/- 0.45   2.182% * 29.7440% (0.69   0.02   0.02) =  11.121%  kept
          HN    GLN   17 - HN    ARG+  54  20.03 +/- 0.70   2.351% * 23.1904% (0.54   0.02   0.02) =   9.340%  kept
          HD21  ASN   69 - HN    ARG+  54  25.09 +/- 0.89   0.607% * 31.3037% (0.72   0.02   0.02) =   3.253%  kept
          HN    TRP   87 - HN    ASP-  62  21.89 +/- 0.46   1.380% *  5.5654% (0.13   0.02   0.02) =   1.315%
    Distance limit 3.84 A violated in 20 structures by 6.88 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 = 15.2:
          HN    PHE   55 - HN    ILE   56   2.24 +/- 0.03  99.900% * 99.1179% (0.95   3.94  15.20) = 100.000%  kept
          HN    ASP-  62 - HN    ILE   56   9.45 +/- 0.28   0.018% *  0.1640% (0.31   0.02   0.02) =   0.000%
          HN    LEU   31 - HZ2   TRP   87   7.79 +/- 0.39   0.059% *  0.0087% (0.02   0.02   2.24) =   0.000%
          HN    ALA   88 - HZ2   TRP   87   9.07 +/- 0.05   0.023% *  0.0200% (0.04   0.02   4.92) =   0.000%
          HN    ALA   88 - HN    ILE   56  19.53 +/- 0.30   0.000% *  0.4610% (0.87   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    ILE   56  23.29 +/- 0.38   0.000% *  0.1995% (0.38   0.02   0.02) =   0.000%
          HN    PHE   55 - HZ2   TRP   87  23.11 +/- 0.66   0.000% *  0.0218% (0.04   0.02   0.02) =   0.000%
          HN    ASP-  62 - HZ2   TRP   87  20.24 +/- 0.63   0.000% *  0.0071% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 401 (7.40, 7.59, 115.08 ppm):
    8 chemical-shift based assignments, quality = 0.867, support = 4.52, residual support = 25.4:
          HN    ALA   57 - HN    ILE   56   2.59 +/- 0.46  99.942% * 98.8726% (0.87   4.52  25.38) = 100.000%  kept
          HE21  GLN  116 - HN    ILE   56  11.89 +/- 1.07   0.038% *  0.4034% (0.80   0.02   0.02) =   0.000%
          HN    ALA  120 - HN    ILE   56  14.47 +/- 0.40   0.007% *  0.2071% (0.41   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE   56  18.12 +/- 1.32   0.002% *  0.4518% (0.90   0.02   0.02) =   0.000%
          HE21  GLN   90 - HZ2   TRP   87  14.54 +/- 1.25   0.009% *  0.0196% (0.04   0.02   0.02) =   0.000%
          HN    ALA   57 - HZ2   TRP   87  21.37 +/- 0.69   0.001% *  0.0190% (0.04   0.02   0.02) =   0.000%
          HE21  GLN  116 - HZ2   TRP   87  24.68 +/- 0.95   0.000% *  0.0175% (0.03   0.02   0.02) =   0.000%
          HN    ALA  120 - HZ2   TRP   87  21.93 +/- 0.53   0.001% *  0.0090% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 1 structures by 0.06 A, kept.
 
    Peak 402 (4.41, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 0.154, support = 5.05, residual support = 112.5:
      O   HA    ILE   56 - HN    ILE   56   2.93 +/- 0.01  99.213% * 85.3851% (0.15   5.05 112.56) =  99.986%  kept
          HA    PRO   58 - HN    ILE   56   7.33 +/- 0.29   0.412% *  2.0731% (0.95   0.02   0.19) =   0.010%
          HA    THR   46 - HN    ILE   56   8.24 +/- 0.19   0.203% *  1.7549% (0.80   0.02   0.02) =   0.004%
          HA    GLN   17 - HN    ILE   56  16.34 +/- 0.69   0.003% *  1.5914% (0.73   0.02   0.02) =   0.000%
          HA    LEU   40 - HZ2   TRP   87  11.07 +/- 0.64   0.036% *  0.0794% (0.04   0.02   0.02) =   0.000%
          HA    VAL   42 - HZ2   TRP   87   9.21 +/- 0.54   0.110% *  0.0188% (0.01   0.02   0.02) =   0.000%
          HA    VAL   42 - HN    ILE   56  15.62 +/- 0.32   0.004% *  0.4337% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ILE   56  21.47 +/- 0.60   0.001% *  2.1150% (0.97   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ILE   56  21.73 +/- 0.30   0.001% *  1.8305% (0.84   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ILE   56  19.22 +/- 0.39   0.001% *  0.4879% (0.22   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ILE   56  26.75 +/- 1.27   0.000% *  2.1150% (0.97   0.02   0.02) =   0.000%
          HA    THR   46 - HZ2   TRP   87  15.31 +/- 0.44   0.005% *  0.0762% (0.03   0.02   0.02) =   0.000%
          HA    SER   37 - HZ2   TRP   87  15.71 +/- 0.56   0.004% *  0.0691% (0.03   0.02   0.02) =   0.000%
          HA    GLU-  15 - HZ2   TRP   87  17.96 +/- 1.50   0.002% *  0.0918% (0.04   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ILE   56  29.14 +/- 0.43   0.000% *  1.5914% (0.73   0.02   0.02) =   0.000%
          HA    GLN   17 - HZ2   TRP   87  18.78 +/- 0.71   0.001% *  0.0691% (0.03   0.02   0.02) =   0.000%
          HA    SER   13 - HZ2   TRP   87  22.47 +/- 3.05   0.001% *  0.0918% (0.04   0.02   0.02) =   0.000%
          HA    PRO   58 - HZ2   TRP   87  22.06 +/- 0.67   0.001% *  0.0900% (0.04   0.02   0.02) =   0.000%
          HA    ILE   56 - HZ2   TRP   87  20.39 +/- 0.49   0.001% *  0.0147% (0.01   0.02   0.02) =   0.000%
          HA    LEU  123 - HZ2   TRP   87  23.05 +/- 0.80   0.000% *  0.0212% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 403 (7.59, 7.41, 127.14 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 4.52, residual support = 25.4:
          HN    ILE   56 - HN    ALA   57   2.59 +/- 0.46  99.536% * 98.3645% (0.98   4.52  25.38) =  99.998%  kept
          HN    LEU   63 - HN    ALA   57   8.90 +/- 0.35   0.265% *  0.4094% (0.92   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HN    ALA   57   9.15 +/- 0.47   0.197% *  0.3978% (0.90   0.02   0.02) =   0.001%
          HN    ALA   84 - HN    ALA   57  19.86 +/- 0.35   0.001% *  0.3978% (0.90   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   57  21.37 +/- 0.69   0.001% *  0.0777% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   57  26.84 +/- 0.63   0.000% *  0.1369% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   57  30.03 +/- 1.20   0.000% *  0.2159% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 1 structures by 0.06 A, kept.
 
    Peak 404 (8.20, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.468, support = 4.34, residual support = 16.5:
        T HN    PHE   60 - HN    PHE   59   2.94 +/- 0.04  99.699% * 98.8504% (0.47   4.34  16.51) =  99.999%  kept
          HN    GLN  116 - HN    PHE   59   8.09 +/- 0.33   0.238% *  0.1315% (0.14   0.02   0.02) =   0.000%
        T HN    THR  118 - HN    PHE   59  10.10 +/- 0.31   0.062% *  0.2819% (0.29   0.02   5.94) =   0.000%
        T HN    GLU-  15 - HN    PHE   59  19.20 +/- 0.77   0.001% *  0.7362% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 405 (4.37, 7.25, 119.50 ppm):
    7 chemical-shift based assignments, quality = 0.32, support = 4.12, residual support = 47.7:
      O   HA    PHE   59 - HN    PHE   59   2.72 +/- 0.01  67.025% * 66.7143% (0.24   4.86  54.73) =  81.943%  kept
          HA    ILE   56 - HN    PHE   59   3.08 +/- 0.17  32.955% * 29.8988% (0.69   0.75  15.72) =  18.056%  kept
          HA    ASP- 113 - HN    PHE   59  11.10 +/- 0.40   0.015% *  0.7973% (0.69   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    PHE   59  14.20 +/- 0.52   0.003% *  0.7119% (0.62   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    PHE   59  19.86 +/- 0.33   0.000% *  0.8812% (0.76   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    PHE   59  18.32 +/- 0.33   0.001% *  0.1759% (0.15   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    PHE   59  24.39 +/- 0.44   0.000% *  0.8207% (0.71   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 406 (4.27, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.21, residual support = 23.2:
      O   HA    ALA   57 - HN    ALA   57   2.87 +/- 0.04  99.883% * 96.4512% (0.76   4.21  23.20) =  99.999%  kept
          HA1   GLY   51 - HN    ALA   57   9.82 +/- 0.57   0.066% *  0.5873% (0.98   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   57  10.48 +/- 0.56   0.044% *  0.3152% (0.53   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   57  15.17 +/- 0.52   0.005% *  0.3634% (0.61   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   57  19.77 +/- 0.38   0.001% *  0.5938% (0.99   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   57  20.75 +/- 0.56   0.001% *  0.4350% (0.73   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   57  21.00 +/- 0.44   0.001% *  0.3634% (0.61   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   57  23.88 +/- 0.66   0.000% *  0.5991% (1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   57  30.00 +/- 2.48   0.000% *  0.2916% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 407 (4.38, 7.41, 127.14 ppm):
    9 chemical-shift based assignments, quality = 0.991, support = 4.34, residual support = 25.4:
      O   HA    ILE   56 - HN    ALA   57   3.07 +/- 0.20  94.253% * 97.7766% (0.99   4.34  25.38) =  99.990%  kept
          HA    PRO   58 - HN    ALA   57   4.91 +/- 0.12   5.722% *  0.1552% (0.34   0.02  24.13) =   0.010%
          HA    ASP- 113 - HN    ALA   57  12.70 +/- 0.42   0.019% *  0.2576% (0.57   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ALA   57  18.02 +/- 0.69   0.002% *  0.4540% (1.00   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   57  22.47 +/- 0.53   0.001% *  0.4081% (0.90   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   57  20.98 +/- 0.57   0.001% *  0.2215% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA   57  19.61 +/- 0.45   0.001% *  0.1404% (0.31   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   57  26.37 +/- 0.58   0.000% *  0.4460% (0.98   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   57  24.83 +/- 1.40   0.000% *  0.1404% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 408 (8.20, 7.72, 117.18 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 5.35, residual support = 41.7:
        T HN    PHE   60 - HN    ALA   61   2.64 +/- 0.09  99.977% * 99.0657% (0.61   5.35  41.70) = 100.000%  kept
        T HN    GLU-  15 - HN    ALA   61  14.97 +/- 0.83   0.003% *  0.5983% (0.98   0.02   0.02) =   0.000%
        T HN    THR  118 - HN    ALA   61  12.90 +/- 0.26   0.007% *  0.2291% (0.38   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    ALA   61  11.86 +/- 0.22   0.012% *  0.1069% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 409 (7.27, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.529, support = 4.39, residual support = 31.8:
          QD    PHE   60 - HN    ALA   61   4.07 +/- 0.19  57.761% * 66.4028% (0.57   4.77  41.70) =  75.894%  kept
          HN    PHE   59 - HN    ALA   61   4.39 +/- 0.13  37.309% * 32.5980% (0.41   3.22   0.75) =  24.065%  kept
          QE    PHE   59 - HN    ALA   61   6.58 +/- 0.29   3.347% *  0.3941% (0.80   0.02   0.75) =   0.026%
          HN    LYS+  66 - HN    ALA   61   7.42 +/- 0.26   1.580% *  0.4824% (0.98   0.02   0.02) =   0.015%
          HN    LYS+  81 - HN    ALA   61  21.28 +/- 0.24   0.003% *  0.1227% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 410 (4.40, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 1.11, residual support = 1.11:
          HA    PRO   58 - HN    ALA   61   3.41 +/- 0.10  97.690% * 90.4555% (0.97   1.11   1.11) =  99.982%  kept
          HA    ILE   56 - HN    ALA   61   6.74 +/- 0.16   1.685% *  0.6941% (0.41   0.02   0.02) =   0.013%
          HA    GLN   17 - HN    ALA   61   8.47 +/- 0.52   0.467% *  0.6337% (0.38   0.02   0.02) =   0.003%
          HA    THR   46 - HN    ALA   61  10.74 +/- 0.29   0.103% *  0.7570% (0.45   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    ALA   61  13.94 +/- 0.44   0.022% *  1.5972% (0.95   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ALA   61  14.54 +/- 0.52   0.017% *  0.8883% (0.53   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA   61  16.58 +/- 0.29   0.007% *  1.6885% (1.00   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA   61  19.51 +/- 1.13   0.003% *  1.5972% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ALA   61  18.47 +/- 0.40   0.004% *  0.4210% (0.25   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA   61  21.99 +/- 0.46   0.001% *  0.6337% (0.38   0.02   0.02) =   0.000%
          HA    SER   37 - HN    ALA   61  22.69 +/- 0.46   0.001% *  0.6337% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.94 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   4.22 +/- 0.13  98.709% * 84.4572% (0.41   2.00   1.99) =  99.973%  kept
          HA    ASP-  44 - HN    ALA   61   9.02 +/- 0.44   1.125% *  1.7829% (0.87   0.02   0.02) =   0.024%
          HA1   GLY   51 - HN    ALA   61  14.85 +/- 0.32   0.052% *  1.4925% (0.73   0.02   0.02) =   0.001%
          HB    THR   77 - HN    ALA   61  16.79 +/- 0.41   0.026% *  1.8973% (0.92   0.02   0.02) =   0.001%
          HA    ILE  103 - HN    ALA   61  18.31 +/- 0.34   0.015% *  2.0146% (0.98   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ALA   61  18.85 +/- 0.41   0.013% *  1.7168% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   61  19.98 +/- 0.39   0.009% *  1.8433% (0.90   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   61  21.65 +/- 0.47   0.006% *  1.8973% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   61  16.40 +/- 1.22   0.033% *  0.3171% (0.15   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   61  24.81 +/- 1.97   0.003% *  1.7168% (0.84   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   61  21.88 +/- 1.66   0.006% *  0.4576% (0.22   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ALA   61  23.55 +/- 0.36   0.003% *  0.4067% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 5.87, residual support = 42.6:
        T HN    ASP-  62 - HN    LEU   63   2.50 +/- 0.07  99.989% * 99.0593% (0.98   5.87  42.57) = 100.000%  kept
          HN    ARG+  54 - HN    LEU   63  13.67 +/- 0.35   0.004% *  0.3179% (0.92   0.02   0.02) =   0.000%
          HN    PHE   55 - HN    LEU   63  12.58 +/- 0.31   0.006% *  0.1293% (0.38   0.02   0.02) =   0.000%
          HN    LEU   31 - HN    LEU   63  18.95 +/- 0.37   0.001% *  0.3258% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LEU   63  20.38 +/- 0.39   0.000% *  0.1677% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 413 (6.47, 7.59, 120.97 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.92, residual support = 54.2:
        T HN    ALA   64 - HN    LEU   63   2.82 +/- 0.10 100.000% *100.0000% (0.97   6.92  54.17) = 100.000%  kept
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 414 (6.91, 6.46, 118.53 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.15, residual support = 26.5:
        T HN    LYS+  65 - HN    ALA   64   2.68 +/- 0.17 100.000% *100.0000% (0.97   4.15  26.55) = 100.000%  kept
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 415 (7.59, 6.46, 118.53 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 6.92, residual support = 54.2:
          HN    LEU   63 - HN    ALA   64   2.82 +/- 0.10  99.976% * 99.0179% (0.99   6.92  54.17) = 100.000%  kept
          HN    ILE   56 - HN    ALA   64  12.23 +/- 0.29   0.016% *  0.2733% (0.95   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    ALA   64  14.75 +/- 0.33   0.005% *  0.1752% (0.61   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA   64  17.41 +/- 0.59   0.002% *  0.1188% (0.41   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA   64  20.12 +/- 0.26   0.001% *  0.1752% (0.61   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA   64  22.88 +/- 0.64   0.000% *  0.1752% (0.61   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA   64  23.29 +/- 1.05   0.000% *  0.0643% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 416 (6.47, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.667, support = 4.15, residual support = 26.5:
        T HN    ALA   64 - HN    LYS+  65   2.68 +/- 0.17 100.000% *100.0000% (0.67   4.15  26.55) = 100.000%  kept
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 417 (7.27, 6.90, 114.80 ppm):
    5 chemical-shift based assignments, quality = 0.677, support = 6.22, residual support = 27.6:
          HN    LYS+  66 - HN    LYS+  65   2.56 +/- 0.12  99.239% * 99.3392% (0.68   6.22  27.59) =  99.999%  kept
          QD    PHE   60 - HN    LYS+  65   6.10 +/- 0.33   0.625% *  0.1845% (0.39   0.02   0.02) =   0.001%
          QE    PHE   59 - HN    LYS+  65   8.56 +/- 0.22   0.073% *  0.2610% (0.55   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LYS+  65   8.78 +/- 0.15   0.063% *  0.1340% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    LYS+  65  24.60 +/- 0.32   0.000% *  0.0813% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 418 (4.22, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.667, support = 0.75, residual support = 3.22:
          HA    ASP-  62 - HN    LYS+  65   3.44 +/- 0.22  99.986% * 95.0307% (0.67   0.75   3.22) = 100.000%  kept
          HA    SER  117 - HN    LYS+  65  15.99 +/- 0.37   0.010% *  1.9068% (0.50   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LYS+  65  20.07 +/- 0.49   0.003% *  2.6026% (0.68   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LYS+  65  27.20 +/- 0.29   0.000% *  0.4599% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 419 (6.91, 7.27, 117.25 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 6.22, residual support = 27.6:
        T HN    LYS+  65 - HN    LYS+  66   2.56 +/- 0.12 100.000% *100.0000% (0.97   6.22  27.59) = 100.000%  kept
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 420 (4.08, 7.27, 117.25 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.0, residual support = 112.3:
      O   HA    LYS+  66 - HN    LYS+  66   2.89 +/- 0.02  99.999% * 99.7561% (0.97   5.00 112.35) = 100.000%  kept
          HA    GLU-  36 - HN    LYS+  66  22.59 +/- 0.42   0.000% *  0.1409% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LYS+  66  25.50 +/- 0.36   0.000% *  0.1030% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 421 (6.95, 7.34, 119.88 ppm):
    2 chemical-shift based assignments, quality = 0.0748, support = 0.0196, residual support = 43.4:
          HD22  ASN   28 - HE3   TRP   27   9.01 +/- 0.51  99.754% * 11.1670% (0.08   0.02  44.25) =  98.073%  kept
          HD22  ASN   28 - HN    LEU   67  24.57 +/- 0.70   0.246% * 88.8330% (0.61   0.02   0.02) =   1.927%
    Distance limit 4.43 A violated in 20 structures by 4.58 A, eliminated.
    Peak unassigned.
 
    Peak 422 (4.99, 7.34, 119.88 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.12, residual support = 61.1:
      O   HA    LEU   67 - HN    LEU   67   2.84 +/- 0.18  99.918% * 99.8770% (1.00   6.12  61.10) = 100.000%  kept
          HA    ASP-  76 - HE3   TRP   27   9.47 +/- 0.35   0.078% *  0.0092% (0.03   0.02   0.02) =   0.000%
          HA    LEU   67 - HE3   TRP   27  16.91 +/- 0.65   0.002% *  0.0410% (0.13   0.02   0.02) =   0.000%
          HA    ASP-  76 - HN    LEU   67  19.35 +/- 0.23   0.001% *  0.0728% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 423 (4.08, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 4.48, residual support = 10.0:
      O   HA    LYS+  66 - HN    LEU   67   3.42 +/- 0.10  99.906% * 99.6374% (0.97   4.48  10.05) = 100.000%  kept
          HA    LYS+  81 - HE3   TRP   27  11.47 +/- 0.61   0.077% *  0.0145% (0.03   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   67  20.42 +/- 0.48   0.002% *  0.1574% (0.34   0.02   0.02) =   0.000%
          HA    GLU-  36 - HE3   TRP   27  15.67 +/- 0.33   0.011% *  0.0198% (0.04   0.02   0.02) =   0.000%
          HA    LYS+  66 - HE3   TRP   27  19.75 +/- 0.40   0.003% *  0.0560% (0.12   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU   67  25.25 +/- 0.33   0.001% *  0.1150% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 424 (7.97, 8.82, 114.58 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 4.26, residual support = 28.0:
        T HN    VAL   70 - HN    ASN   69   2.15 +/- 0.33  99.999% * 99.8334% (0.87   4.26  28.01) = 100.000%  kept
          HN    LYS+  33 - HN    ASN   69  15.48 +/- 0.37   0.001% *  0.1666% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 425 (4.69, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 5.55, residual support = 61.5:
      O   HA    ASN   69 - HN    ASN   69   2.86 +/- 0.07  99.991% * 99.3656% (0.76   5.55  61.50) = 100.000%  kept
          HA    VAL   43 - HN    ASN   69  13.73 +/- 0.32   0.008% *  0.2280% (0.49   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    ASN   69  22.78 +/- 0.57   0.000% *  0.4064% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 426 (6.65, 7.68, 113.30 ppm):
    3 chemical-shift based assignments, quality = 0.518, support = 3.25, residual support = 61.5:
      O T HD22  ASN   69 - HD21  ASN   69   1.73 +/- 0.00 100.000% * 99.4499% (0.52   3.25  61.50) = 100.000%  kept
          HE22  GLN   30 - HD21  ASN   69  16.06 +/- 1.61   0.000% *  0.4024% (0.34   0.02   0.02) =   0.000%
          HN    TRP   49 - HD21  ASN   69  29.30 +/- 0.67   0.000% *  0.1477% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 427 (7.69, 6.66, 113.30 ppm):
    4 chemical-shift based assignments, quality = 0.518, support = 3.25, residual support = 61.5:
      O   HD21  ASN   69 - HD22  ASN   69   1.73 +/- 0.00  99.999% * 98.5198% (0.52   3.25  61.50) = 100.000%  kept
          HN    GLN   17 - HD22  ASN   69  11.51 +/- 1.13   0.001% *  0.6557% (0.56   0.02   0.02) =   0.000%
          HE3   TRP   87 - HD22  ASN   69  19.83 +/- 1.36   0.000% *  0.2028% (0.17   0.02   0.02) =   0.000%
          HN    TRP   87 - HD22  ASN   69  24.60 +/- 1.21   0.000% *  0.6217% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 428 (6.97, 7.98, 124.64 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 1.5, residual support = 40.0:
          QE    PHE   72 - HN    VAL   70   3.56 +/- 0.66  99.997% * 97.1675% (0.45   1.50  40.04) = 100.000%  kept
          HD22  ASN   28 - HN    VAL   70  21.88 +/- 0.62   0.003% *  2.8325% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 429 (8.81, 7.98, 124.64 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.26, residual support = 28.0:
        T HN    ASN   69 - HN    VAL   70   2.15 +/- 0.33  99.996% * 99.1971% (0.76   4.26  28.01) = 100.000%  kept
          HN    ASP-  44 - HN    VAL   70  12.82 +/- 0.27   0.003% *  0.1205% (0.20   0.02   0.02) =   0.000%
          HN    ASN   28 - HN    VAL   70  18.69 +/- 0.37   0.000% *  0.5758% (0.95   0.02   0.02) =   0.000%
          HN    GLU-  25 - HN    VAL   70  22.63 +/- 0.41   0.000% *  0.1066% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 430 (4.69, 7.99, 124.64 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.73, residual support = 28.0:
      O   HA    ASN   69 - HN    VAL   70   3.26 +/- 0.42  99.949% * 99.0420% (0.87   3.73  28.01) = 100.000%  kept
          HA    VAL   43 - HN    VAL   70  11.93 +/- 0.24   0.050% *  0.3947% (0.65   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    VAL   70  21.15 +/- 0.44   0.002% *  0.5633% (0.93   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 431 (4.03, 7.98, 124.64 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 4.21, residual support = 83.5:
      O   HA    VAL   70 - HN    VAL   70   2.90 +/- 0.02  97.138% * 97.8278% (0.72   4.21  83.50) =  99.988%  kept
          HA1   GLY   16 - HN    VAL   70   5.89 +/- 1.19   2.677% *  0.3884% (0.60   0.02   0.02) =   0.011%
          HB2   SER   37 - HN    VAL   70   9.80 +/- 0.87   0.077% *  0.5911% (0.91   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    VAL   70   9.39 +/- 0.65   0.094% *  0.1597% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   70  13.66 +/- 0.58   0.009% *  0.2633% (0.41   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   70  16.73 +/- 0.42   0.003% *  0.4650% (0.72   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    VAL   70  18.07 +/- 0.43   0.002% *  0.1780% (0.28   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    VAL   70  27.18 +/- 0.59   0.000% *  0.1267% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 432 (4.65, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.69, residual support = 127.3:
      O   HA    LEU   71 - HN    LEU   71   2.90 +/- 0.01  99.880% * 99.7904% (1.00   5.69 127.31) = 100.000%  kept
          HA    VAL   43 - HN    LEU   71   9.03 +/- 0.22   0.110% *  0.0780% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LEU   71  13.55 +/- 0.41   0.010% *  0.1316% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 433 (4.01, 8.15, 128.27 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.89, residual support = 31.3:
      O   HA    VAL   70 - HN    LEU   71   2.25 +/- 0.02  99.745% * 98.0663% (1.00   4.89  31.30) = 100.000%  kept
          HB2   SER   37 - HN    LEU   71   7.07 +/- 0.55   0.120% *  0.1952% (0.49   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   71   8.67 +/- 0.56   0.034% *  0.2755% (0.69   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LEU   71   7.87 +/- 1.34   0.086% *  0.0794% (0.20   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   71  10.02 +/- 0.43   0.013% *  0.3479% (0.87   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   71  14.03 +/- 0.36   0.002% *  0.2913% (0.73   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   71  18.37 +/- 0.54   0.000% *  0.4011% (1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LEU   71  23.29 +/- 0.58   0.000% *  0.2433% (0.61   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LEU   71  23.32 +/- 0.48   0.000% *  0.1000% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 434 (4.88, 8.15, 128.27 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 2.0, residual support = 2.75:
          HA    VAL   41 - HN    LEU   71   3.26 +/- 0.34  99.934% * 98.6149% (1.00   2.00   2.75) =  99.999%  kept
          HA    HIS  122 - HN    LEU   71  11.79 +/- 0.63   0.055% *  0.8255% (0.84   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    LEU   71  15.05 +/- 0.28   0.011% *  0.5596% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.99 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   4.33 +/- 0.23  93.830% * 97.8079% (0.61   2.33   2.46) =  99.935%  kept
          HN    LEU   73 - HN    LEU   71   7.17 +/- 0.14   4.650% *  0.8379% (0.61   0.02   0.02) =   0.042%
          HN    ILE   19 - HN    LEU   71   8.72 +/- 0.44   1.521% *  1.3542% (0.98   0.02   0.02) =   0.022%
    Distance limit 4.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 436 (6.67, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 0.448, support = 5.48, residual support = 83.9:
          QD    PHE   72 - HN    PHE   72   2.50 +/- 0.31  99.952% * 98.8937% (0.45   5.48  83.88) = 100.000%  kept
          HD22  ASN   69 - HN    PHE   72  10.15 +/- 0.77   0.036% *  0.5851% (0.73   0.02   0.02) =   0.000%
          QE    PHE   45 - HN    PHE   72  11.61 +/- 0.26   0.012% *  0.5212% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 437 (5.26, 9.36, 127.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 5.13, residual support = 83.9:
      O   HA    PHE   72 - HN    PHE   72   2.93 +/- 0.01 100.000% *100.0000% (0.53   5.13  83.88) = 100.000%  kept
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 438 (4.65, 9.36, 127.59 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.28, residual support = 19.3:
      O   HA    LEU   71 - HN    PHE   72   2.21 +/- 0.02  99.910% * 99.7738% (1.00   5.28  19.31) = 100.000%  kept
          HA    VAL   43 - HN    PHE   72   7.38 +/- 0.23   0.073% *  0.0842% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    PHE   72   9.43 +/- 0.39   0.017% *  0.1420% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 439 (4.83, 9.36, 127.59 ppm):
    5 chemical-shift based assignments, quality = 0.446, support = 0.02, residual support = 0.02:
          HA    PHE   45 - HN    PHE   72  12.37 +/- 0.22  68.776% *  7.2068% (0.18   0.02   0.02) =  42.794%  kept
          HA    THR   23 - HN    PHE   72  16.47 +/- 0.30  12.398% * 29.8815% (0.73   0.02   0.02) =  31.985%  kept
          HA    ASP-  78 - HN    PHE   72  21.01 +/- 0.16   2.869% * 39.7133% (0.97   0.02   0.02) =   9.839%  kept
          HA    LEU   80 - HN    PHE   72  18.40 +/- 0.69   6.560% * 14.0368% (0.34   0.02   0.02) =   7.950%  kept
          HB    THR   23 - HN    PHE   72  17.25 +/- 0.33   9.396% *  9.1616% (0.22   0.02   0.02) =   7.432%  kept
    Distance limit 4.38 A violated in 20 structures by 7.24 A, eliminated.
    Peak unassigned.
 
    Peak 440 (7.61, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 0.9, residual support = 0.899:
          QE    PHE   60 - HN    LEU   73   3.53 +/- 0.45  99.456% * 89.0610% (0.49   0.90   0.90) =  99.983%  kept
          HZ2   TRP   87 - HN    LEU   73  10.01 +/- 0.60   0.251% *  4.0289% (0.99   0.02   0.02) =   0.011%
          HN    LEU   63 - HN    LEU   73  10.14 +/- 0.30   0.248% *  1.6711% (0.41   0.02   0.02) =   0.005%
          HD21  ASN   28 - HN    LEU   73  14.80 +/- 0.59   0.024% *  3.9844% (0.98   0.02   0.02) =   0.001%
          HN    ILE   56 - HN    LEU   73  15.01 +/- 0.31   0.022% *  1.2546% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.01 A, kept.
 
    Peak 441 (5.57, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 6.62, residual support = 164.2:
      O   HA    LEU   73 - HN    LEU   73   2.93 +/- 0.01 100.000% *100.0000% (0.95   6.62 164.19) = 100.000%  kept
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 442 (5.26, 8.95, 120.59 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 5.1, residual support = 31.7:
      O   HA    PHE   72 - HN    LEU   73   2.27 +/- 0.04 100.000% *100.0000% (0.53   5.10  31.68) = 100.000%  kept
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 443 (4.66, 8.95, 120.59 ppm):
    5 chemical-shift based assignments, quality = 0.526, support = 3.78, residual support = 8.15:
          HA    VAL   43 - HN    LEU   73   3.08 +/- 0.25  97.832% * 98.5675% (0.53   3.78   8.15) =  99.985%  kept
          HA    LEU   71 - HN    LEU   73   6.21 +/- 0.09   1.607% *  0.8272% (0.84   0.02   0.02) =   0.014%
          HA    ALA   20 - HN    LEU   73   7.58 +/- 0.29   0.503% *  0.1340% (0.14   0.02   0.02) =   0.001%
          HA    ASN   69 - HN    LEU   73  12.14 +/- 0.19   0.029% *  0.2753% (0.28   0.02   0.02) =   0.000%
          HA    HIS   22 - HN    LEU   73  12.17 +/- 0.25   0.029% *  0.1960% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 3.13, residual support = 8.54:
        T HN    CYS   21 - HN    LYS+  74   2.99 +/- 0.23  99.979% * 91.5212% (0.12   3.13   8.54) =  99.999%  kept
          HN    ILE   89 - HN    LYS+  74  14.14 +/- 0.38   0.010% *  2.6777% (0.57   0.02   0.02) =   0.000%
          HN    SER   37 - HN    LYS+  74  15.55 +/- 0.24   0.006% *  3.1633% (0.67   0.02   0.02) =   0.000%
        T HN    ILE  119 - HN    LYS+  74  17.89 +/- 0.31   0.002% *  1.8932% (0.40   0.02   0.02) =   0.000%
          HN    LYS+  38 - HN    LYS+  74  16.54 +/- 0.17   0.004% *  0.7445% (0.16   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 0.586, support = 4.92, residual support = 25.3:
        T HN    ILE   19 - HN    LYS+  74   3.89 +/- 0.28  67.713% * 33.9399% (0.54   3.76   8.48) =  52.505%  kept
          HN    LEU   73 - HN    LYS+  74   4.42 +/- 0.03  31.591% * 65.8015% (0.64   6.21  43.90) =  47.492%  kept
          HN    VAL   42 - HN    LYS+  74   8.40 +/- 0.17   0.688% *  0.2118% (0.64   0.02   0.02) =   0.003%
          HN    LYS+ 106 - HN    LYS+  74  17.57 +/- 0.18   0.008% *  0.0467% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 446 (5.56, 8.48, 121.30 ppm):
    1 chemical-shift based assignment, quality = 0.684, support = 5.83, residual support = 43.9:
      O   HA    LEU   73 - HN    LYS+  74   2.34 +/- 0.08 100.000% *100.0000% (0.68   5.83  43.90) = 100.000%  kept
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 447 (4.90, 8.48, 121.30 ppm):
    4 chemical-shift based assignments, quality = 0.197, support = 5.91, residual support = 170.1:
      O   HA    LYS+  74 - HN    LYS+  74   2.94 +/- 0.00  99.904% * 98.0987% (0.20   5.91 170.13) = 100.000%  kept
          HA    VAL   41 - HN    LYS+  74   9.48 +/- 0.20   0.089% *  0.2364% (0.14   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LYS+  74  15.38 +/- 0.65   0.005% *  1.0363% (0.61   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    LYS+  74  18.76 +/- 0.38   0.001% *  0.6285% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 448 (4.63, 8.48, 121.30 ppm):
    2 chemical-shift based assignments, quality = 0.684, support = 3.71, residual support = 8.28:
          HA    ALA   20 - HN    LYS+  74   3.37 +/- 0.28  99.723% * 99.7068% (0.68   3.71   8.28) =  99.999%  kept
          HA    LEU   71 - HN    LYS+  74   9.10 +/- 0.18   0.277% *  0.2932% (0.37   0.02   0.02) =   0.001%
    Distance limit 3.69 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 = 5.72, residual support = 27.0:
      O   HA    LYS+  74 - HN    VAL   75   2.19 +/- 0.02  99.994% * 99.3017% (0.61   5.72  27.04) = 100.000%  kept
          HA    MET   92 - HN    VAL   75  11.33 +/- 0.68   0.006% *  0.5709% (1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    VAL   75  19.29 +/- 0.34   0.000% *  0.1274% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 450 (4.99, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.223, support = 3.75, residual support = 36.3:
      O   HA    ASP-  76 - HN    ASP-  76   2.85 +/- 0.03  99.999% * 97.6655% (0.22   3.75  36.33) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  76  20.77 +/- 0.68   0.001% *  2.3345% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 451 (4.50, 9.14, 128.89 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 3.42, residual support = 9.35:
      O   HA    VAL  107 - HN    VAL  108   2.19 +/- 0.01  99.924% * 97.6608% (0.65   3.42   9.35) = 100.000%  kept
          HA    LYS+ 111 - HN    VAL  108   7.52 +/- 0.48   0.068% *  0.1747% (0.20   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  108  11.54 +/- 1.08   0.006% *  0.7067% (0.80   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  108  13.12 +/- 0.37   0.002% *  0.6062% (0.69   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  108  20.52 +/- 0.36   0.000% *  0.8517% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 452 (8.52, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.55, residual support = 29.1:
        T HN    ASP-  78 - HN    THR   77   2.71 +/- 0.07  99.200% * 99.7135% (0.98   5.55  29.13) =  99.998%  kept
          HN    VAL   75 - HN    THR   77   6.07 +/- 0.17   0.799% *  0.2223% (0.61   0.02   0.34) =   0.002%
          HN    LYS+ 112 - HN    THR   77  17.64 +/- 0.48   0.001% *  0.0642% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 453 (9.28, 8.52, 119.25 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 5.55, residual support = 29.1:
        T HN    THR   77 - HN    ASP-  78   2.71 +/- 0.07 100.000% *100.0000% (1.00   5.55  29.13) = 100.000%  kept
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 454 (8.02, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.71, residual support = 15.3:
        T HN    GLU-  79 - HN    ASP-  78   2.55 +/- 0.13  99.968% * 99.5480% (0.99   3.71  15.32) = 100.000%  kept
          HN    THR   94 - HN    ASP-  78   9.86 +/- 0.38   0.032% *  0.4520% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 455 (8.53, 8.02, 121.50 ppm):
    2 chemical-shift based assignments, quality = 0.563, support = 3.71, residual support = 15.3:
        T HN    ASP-  78 - HN    GLU-  79   2.55 +/- 0.13  99.887% * 99.4642% (0.56   3.71  15.32) =  99.999%  kept
          HN    VAL   75 - HN    GLU-  79   7.94 +/- 0.16   0.113% *  0.5358% (0.56   0.02   0.02) =   0.001%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 458 (4.27, 8.02, 121.50 ppm):
    9 chemical-shift based assignments, quality = 0.604, support = 4.17, residual support = 54.4:
      O   HA    GLU-  79 - HN    GLU-  79   2.88 +/- 0.05  97.205% * 97.3206% (0.60   4.18  54.40) =  99.992%  kept
          HB    THR   77 - HN    GLU-  79   5.27 +/- 0.22   2.720% *  0.2853% (0.37   0.02   0.02) =   0.008%
          HA    SER   85 - HN    GLU-  79  10.44 +/- 0.28   0.043% *  0.2853% (0.37   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    GLU-  79  11.87 +/- 0.23   0.020% *  0.2475% (0.32   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    GLU-  79  14.44 +/- 0.39   0.006% *  0.4611% (0.60   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    GLU-  79  15.28 +/- 0.32   0.004% *  0.3595% (0.47   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    GLU-  79  20.89 +/- 0.28   0.001% *  0.3416% (0.44   0.02   0.02) =   0.000%
          HA    THR   39 - HN    GLU-  79  25.14 +/- 0.24   0.000% *  0.4704% (0.61   0.02   0.02) =   0.000%
          HA    MET   11 - HN    GLU-  79  28.37 +/- 4.39   0.000% *  0.2290% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 459 (4.86, 8.02, 121.50 ppm):
    4 chemical-shift based assignments, quality = 0.0825, support = 3.64, residual support = 15.3:
      O   HA    ASP-  78 - HN    GLU-  79   3.50 +/- 0.06  98.915% * 93.4912% (0.08   3.64  15.32) =  99.956%  kept
          HA    PHE   45 - HN    GLU-  79   7.45 +/- 0.22   1.080% *  3.7613% (0.60   0.02   0.02) =   0.044%
          HA    VAL   41 - HN    GLU-  79  18.60 +/- 0.26   0.004% *  1.9965% (0.32   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    GLU-  79  26.76 +/- 0.29   0.000% *  0.7510% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 460 (5.00, 9.27, 119.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 11.7:
      O   HA    ASP-  76 - HN    THR   77   2.28 +/- 0.02 100.000% * 99.2768% (0.53   4.53  11.69) = 100.000%  kept
          HA    LEU   67 - HN    THR   77  22.14 +/- 0.67   0.000% *  0.7232% (0.87   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 461 (4.58, 9.27, 119.07 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 1.22, residual support = 3.83:
          HA    ALA   47 - HN    THR   77   2.96 +/- 0.09  99.258% * 88.9761% (0.57   1.22   3.83) =  99.980%  kept
          HA    CYS   50 - HN    THR   77   7.08 +/- 0.20   0.550% *  2.5194% (0.98   0.02   0.02) =   0.016%
          HA    TRP   49 - HN    THR   77   9.58 +/- 0.09   0.088% *  2.2295% (0.87   0.02   0.02) =   0.002%
          HA1   GLY  109 - HN    THR   77  11.22 +/- 0.90   0.038% *  2.4805% (0.97   0.02   0.02) =   0.001%
          HA    CYS   21 - HN    THR   77  10.90 +/- 0.39   0.041% *  1.7655% (0.69   0.02   0.02) =   0.001%
          HA    VAL  108 - HN    THR   77  12.03 +/- 0.61   0.024% *  1.1523% (0.45   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    THR   77  21.99 +/- 0.27   0.001% *  0.8767% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 0.246, support = 1.21, residual support = 12.1:
          HA    THR   46 - HN    THR   77   4.43 +/- 0.18  78.668% * 80.8939% (0.25   1.22  12.29) =  98.795%  kept
          HA    GLN   90 - HN    THR   77   6.37 +/- 1.84  21.056% *  3.6403% (0.69   0.02   0.02) =   1.190%
          HA    ALA  110 - HN    THR   77  12.44 +/- 0.49   0.162% *  3.0004% (0.57   0.02   0.02) =   0.008%
          HA    VAL   42 - HN    THR   77  14.58 +/- 0.26   0.060% *  4.5970% (0.87   0.02   0.02) =   0.004%
          HA    PHE   55 - HN    THR   77  15.91 +/- 0.30   0.036% *  4.5970% (0.87   0.02   0.02) =   0.003%
          HA    GLN   17 - HN    THR   77  18.06 +/- 0.50   0.017% *  1.6357% (0.31   0.02   0.02) =   0.000%
          HA    SER   37 - HN    THR   77  26.03 +/- 0.36   0.002% *  1.6357% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 5 structures by 0.16 A, kept.
 
    Peak 463 (4.29, 9.27, 119.07 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.01, residual support = 37.8:
      O   HB    THR   77 - HN    THR   77   3.48 +/- 0.02  97.682% * 95.9489% (0.76   4.01  37.77) =  99.994%  kept
          HA    GLU-  79 - HN    THR   77   6.86 +/- 0.11   1.674% *  0.1740% (0.28   0.02   0.02) =   0.003%
          HA    ASP-  44 - HN    THR   77   8.78 +/- 0.23   0.386% *  0.5228% (0.84   0.02   0.02) =   0.002%
          HA    SER   85 - HN    THR   77  10.37 +/- 0.53   0.148% *  0.4784% (0.76   0.02   0.02) =   0.001%
          HA    ASP-  86 - HN    THR   77  13.79 +/- 0.44   0.026% *  0.5012% (0.80   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    THR   77  11.53 +/- 0.19   0.075% *  0.0966% (0.15   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    THR   77  18.92 +/- 0.27   0.004% *  0.4049% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    THR   77  22.35 +/- 1.77   0.002% *  0.4545% (0.73   0.02   0.02) =   0.000%
          HA    MET   11 - HN    THR   77  28.74 +/- 4.01   0.001% *  0.5429% (0.87   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    THR   77  26.82 +/- 2.74   0.001% *  0.5228% (0.84   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    THR   77  22.05 +/- 0.22   0.002% *  0.2135% (0.34   0.02   0.02) =   0.000%
          HA    THR   39 - HN    THR   77  23.78 +/- 0.26   0.001% *  0.1394% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 465 (8.07, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 5.1, residual support = 30.9:
        T HN    LEU   80 - HN    LYS+  81   3.49 +/- 0.38  94.355% * 98.5318% (0.65   5.10  30.93) =  99.984%  kept
          HN    SER   85 - HN    LYS+  81   5.72 +/- 0.15   5.626% *  0.2677% (0.45   0.02   0.02) =   0.016%
          HN    GLN   32 - HN    LYS+  81  17.28 +/- 0.59   0.007% *  0.4987% (0.84   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    LYS+  81  17.05 +/- 0.50   0.008% *  0.2455% (0.41   0.02   0.02) =   0.000%
        T HN    ALA   34 - HN    LYS+  81  19.79 +/- 0.54   0.003% *  0.4563% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.02 A, kept.
 
    Peak 466 (8.64, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.75, residual support = 11.9:
        T HN    SER   82 - HN    LYS+  81   2.67 +/- 0.11  99.946% * 99.2426% (1.00   3.75  11.88) = 100.000%  kept
          HN    GLN   90 - HN    LYS+  81   9.76 +/- 1.29   0.053% *  0.1984% (0.38   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    LYS+  81  24.22 +/- 0.77   0.000% *  0.2781% (0.53   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    LYS+  81  21.53 +/- 0.32   0.000% *  0.1177% (0.22   0.02   0.02) =   0.000%
          HN    SER  117 - HN    LYS+  81  27.48 +/- 0.44   0.000% *  0.1632% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 467 (4.82, 7.29, 121.74 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.25, residual support = 30.9:
      O   HA    LEU   80 - HN    LYS+  81   2.64 +/- 0.18  98.602% * 98.5076% (0.69   5.25  30.93) =  99.993%  kept
          HA    ASP-  78 - HN    LYS+  81   5.79 +/- 0.57   1.046% *  0.5171% (0.95   0.02   0.66) =   0.006%
          HA    THR   23 - HN    LYS+  81   7.14 +/- 0.19   0.293% *  0.5358% (0.98   0.02   0.02) =   0.002%
          HB    THR   23 - HN    LYS+  81   9.25 +/- 0.21   0.059% *  0.2876% (0.53   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LYS+  81  23.35 +/- 0.29   0.000% *  0.1520% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 468 (4.10, 7.29, 121.74 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.29, residual support = 101.2:
      O   HA    LYS+  81 - HN    LYS+  81   2.78 +/- 0.04  99.991% * 98.8946% (0.99   5.29 101.25) = 100.000%  kept
          HA    ASN   28 - HN    LYS+  81  13.43 +/- 0.58   0.008% *  0.0841% (0.22   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LYS+  81  21.10 +/- 0.62   0.001% *  0.2741% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LYS+  81  25.34 +/- 0.52   0.000% *  0.3571% (0.95   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  81  23.21 +/- 0.40   0.000% *  0.0747% (0.20   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LYS+  81  34.77 +/- 0.65   0.000% *  0.3153% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 469 (4.17, 8.64, 114.33 ppm):
    6 chemical-shift based assignments, quality = 0.249, support = 3.93, residual support = 33.5:
      O   HA    SER   82 - HN    SER   82   2.76 +/- 0.02  99.974% * 93.7682% (0.25   3.93  33.53) = 100.000%  kept
          HA    GLU-  25 - HN    SER   82  11.69 +/- 0.53   0.018% *  1.5323% (0.80   0.02   0.02) =   0.000%
          HA    THR   26 - HN    SER   82  14.33 +/- 0.50   0.005% *  0.7182% (0.38   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    SER   82  18.89 +/- 0.49   0.001% *  1.8467% (0.97   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    SER   82  19.55 +/- 0.41   0.001% *  1.8757% (0.98   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    SER   82  26.48 +/- 0.60   0.000% *  0.2590% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (4.78, 8.64, 114.33 ppm):
    2 chemical-shift based assignments, quality = 0.195, support = 0.0198, residual support = 0.0198:
          HB    THR   23 - HN    SER   82   9.86 +/- 0.33  99.398% * 32.4951% (0.20   0.02   0.02) =  98.757%  kept
          HA    ASP- 105 - HN    SER   82  23.17 +/- 0.33   0.602% * 67.5049% (0.41   0.02   0.02) =   1.243%
    Distance limit 4.27 A violated in 20 structures by 5.59 A, eliminated.
    Peak unassigned.
 
    Peak 471 (6.59, 8.64, 114.33 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 21.5:
        T HN    VAL   83 - HN    SER   82   2.70 +/- 0.07  99.998% * 99.7424% (1.00   5.62  21.50) = 100.000%  kept
          HN    CYS   50 - HN    SER   82  16.12 +/- 0.49   0.002% *  0.2576% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 472 (7.29, 8.64, 114.33 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 3.75, residual support = 11.9:
          HN    LYS+  81 - HN    SER   82   2.67 +/- 0.11  99.984% * 99.2018% (1.00   3.75  11.88) = 100.000%  kept
          HE3   TRP   27 - HN    SER   82  11.80 +/- 0.64   0.015% *  0.1179% (0.22   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    SER   82  17.25 +/- 0.21   0.001% *  0.4241% (0.80   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    SER   82  23.26 +/- 0.61   0.000% *  0.0928% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    SER   82  27.52 +/- 0.25   0.000% *  0.1635% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 473 (7.58, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.748, support = 7.19, residual support = 42.0:
        T HN    ALA   84 - HN    VAL   83   2.56 +/- 0.05  99.998% * 99.1218% (0.75   7.19  41.97) = 100.000%  kept
          HE21  GLN   32 - HN    VAL   83  17.45 +/- 2.23   0.002% *  0.2322% (0.63   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    VAL   83  20.91 +/- 0.50   0.000% *  0.2755% (0.75   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    VAL   83  21.45 +/- 0.44   0.000% *  0.2019% (0.55   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    VAL   83  23.08 +/- 0.28   0.000% *  0.1686% (0.46   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 474 (8.64, 6.59, 123.60 ppm):
    5 chemical-shift based assignments, quality = 0.755, support = 5.62, residual support = 21.5:
        T HN    SER   82 - HN    VAL   83   2.70 +/- 0.07  99.950% * 99.4930% (0.75   5.62  21.50) = 100.000%  kept
          HN    GLN   90 - HN    VAL   83   9.94 +/- 0.99   0.049% *  0.1328% (0.28   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    VAL   83  18.16 +/- 0.31   0.001% *  0.0788% (0.17   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    VAL   83  23.14 +/- 0.93   0.000% *  0.1862% (0.40   0.02   0.02) =   0.000%
          HN    SER  117 - HN    VAL   83  26.67 +/- 0.46   0.000% *  0.1092% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 475 (8.05, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.77, residual support = 17.3:
        T HN    SER   85 - HN    ALA   84   2.83 +/- 0.02  99.963% * 99.3274% (0.99   3.77  17.34) = 100.000%  kept
          HN    THR   94 - HN    ALA   84  10.99 +/- 0.40   0.030% *  0.1183% (0.22   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ALA   84  14.92 +/- 0.53   0.005% *  0.4611% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    ALA   84  17.00 +/- 0.52   0.002% *  0.0931% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 476 (6.59, 7.58, 119.96 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 7.19, residual support = 42.0:
        T HN    VAL   83 - HN    ALA   84   2.56 +/- 0.05  99.997% * 99.7986% (1.00   7.19  41.97) = 100.000%  kept
          HN    CYS   50 - HN    ALA   84  14.56 +/- 0.46   0.003% *  0.2014% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 477 (4.11, 7.58, 119.96 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 2.14, residual support = 4.89:
          HA    LYS+  81 - HN    ALA   84   3.34 +/- 0.20  99.901% * 95.4580% (0.80   2.14   4.89) =  99.999%  kept
          HA    ASN   28 - HN    ALA   84  11.17 +/- 0.51   0.084% *  0.5434% (0.49   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   84  20.68 +/- 0.63   0.002% *  1.0774% (0.97   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA   84  18.88 +/- 0.53   0.003% *  0.3446% (0.31   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA   84  17.72 +/- 1.87   0.006% *  0.1955% (0.18   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   84  20.09 +/- 0.42   0.002% *  0.5005% (0.45   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA   84  22.28 +/- 0.45   0.001% *  0.7668% (0.69   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   84  31.10 +/- 0.75   0.000% *  1.1139% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 0.412, support = 0.0197, residual support = 0.0197:
          HA    GLU-  25 - HN    VAL   83  10.35 +/- 0.45  71.616% * 13.1508% (0.34   0.02   0.02) =  62.371%  kept
          HA    THR   26 - HN    VAL   83  12.81 +/- 0.41  19.896% * 21.2999% (0.55   0.02   0.02) =  28.064%  kept
          HA    ILE   19 - HN    VAL   83  17.34 +/- 0.46   3.283% * 20.1488% (0.52   0.02   0.02) =   4.381%  kept
          HA    CYS   53 - HN    VAL   83  18.96 +/- 0.46   1.966% * 27.0775% (0.70   0.02   0.02) =   3.526%  kept
          HA1   GLY  101 - HN    VAL   83  18.27 +/- 1.91   2.875% *  7.3142% (0.19   0.02   0.02) =   1.393%
          HA    GLU- 114 - HN    VAL   83  25.06 +/- 0.57   0.364% * 11.0089% (0.28   0.02   0.02) =   0.265%
    Distance limit 4.26 A violated in 20 structures by 5.57 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 = 5.15:
        T HN    SER   85 - HN    VAL   83   4.02 +/- 0.06  85.678% * 98.0651% (0.58   2.60   5.15) =  99.942%  kept
          HN    LEU   80 - HN    VAL   83   5.43 +/- 0.18  14.258% *  0.3363% (0.26   0.02   0.02) =   0.057%
          HN    GLN   32 - HN    VAL   83  14.40 +/- 0.65   0.042% *  0.9838% (0.75   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    VAL   83  17.09 +/- 0.60   0.015% *  0.4421% (0.34   0.02   0.02) =   0.000%
        T HN    CYS   53 - HN    VAL   83  18.85 +/- 0.49   0.008% *  0.1727% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 480 (8.63, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.01, residual support = 4.8:
          HN    SER   82 - HN    ALA   84   4.16 +/- 0.06  96.087% * 99.1882% (0.87   4.01   4.80) =  99.984%  kept
          HN    GLN   90 - HN    ALA   84   7.51 +/- 1.02   3.887% *  0.3918% (0.69   0.02   0.02) =   0.016%
          HN    ILE  103 - HN    ALA   84  16.97 +/- 0.32   0.021% *  0.2777% (0.49   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    ALA   84  22.21 +/- 0.91   0.004% *  0.1422% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 481 (8.32, 8.05, 111.48 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 3.33, residual support = 13.4:
          HN    ASP-  86 - HN    SER   85   2.63 +/- 0.07  99.994% * 97.4556% (0.80   3.33  13.43) = 100.000%  kept
          HN    GLN   30 - HN    SER   85  15.90 +/- 0.45   0.002% *  0.6336% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    SER   85  15.31 +/- 0.43   0.003% *  0.2742% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    SER   85  18.79 +/- 0.33   0.001% *  0.4726% (0.65   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    SER   85  21.95 +/- 1.99   0.000% *  0.5304% (0.73   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    SER   85  27.07 +/- 2.11   0.000% *  0.6336% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (7.59, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 3.77, residual support = 17.3:
          HN    ALA   84 - HN    SER   85   2.83 +/- 0.02  99.940% * 97.8184% (0.90   3.77  17.34) = 100.000%  kept
          HZ2   TRP   87 - HN    SER   85  10.20 +/- 0.22   0.046% *  0.1013% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    SER   85  13.15 +/- 0.72   0.011% *  0.1786% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    SER   85  18.37 +/- 0.62   0.001% *  0.5189% (0.90   0.02   0.02) =   0.000%
          HN    ILE   56 - HN    SER   85  19.93 +/- 0.47   0.001% *  0.5671% (0.98   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    SER   85  20.36 +/- 2.25   0.001% *  0.2816% (0.49   0.02   0.02) =   0.000%
          HN    LEU   63 - HN    SER   85  22.65 +/- 0.39   0.000% *  0.5341% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 483 (6.58, 8.05, 111.48 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 2.6, residual support = 5.15:
        T HN    VAL   83 - HN    SER   85   4.02 +/- 0.06  99.967% * 99.6371% (0.87   2.60   5.15) = 100.000%  kept
          HN    CYS   50 - HN    SER   85  15.41 +/- 0.54   0.033% *  0.3629% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 2.99, residual support = 16.1:
      O   HA    SER   85 - HN    SER   85   2.76 +/- 0.02  97.257% * 95.5109% (0.99   2.99  16.08) =  99.990%  kept
          HA    ASP-  86 - HN    SER   85   5.15 +/- 0.07   2.342% *  0.2890% (0.45   0.02  13.43) =   0.007%
          HB    THR   77 - HN    SER   85   7.47 +/- 0.69   0.304% *  0.6389% (0.99   0.02   0.02) =   0.002%
          HA    GLU-  79 - HN    SER   85   9.05 +/- 0.46   0.083% *  0.3910% (0.61   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    SER   85  12.77 +/- 0.34   0.010% *  0.6446% (1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    SER   85  16.62 +/- 0.32   0.002% *  0.6098% (0.95   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    SER   85  19.49 +/- 0.50   0.001% *  0.2650% (0.41   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    SER   85  19.54 +/- 0.38   0.001% *  0.1129% (0.18   0.02   0.02) =   0.000%
          HA    THR   39 - HN    SER   85  23.71 +/- 0.42   0.000% *  0.3391% (0.53   0.02   0.02) =   0.000%
          HA    MET   11 - HN    SER   85  31.83 +/- 4.45   0.000% *  0.6432% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    SER   85  26.91 +/- 1.82   0.000% *  0.2419% (0.38   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    SER   85  30.69 +/- 3.03   0.000% *  0.3138% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 485 (4.15, 8.05, 111.48 ppm):
    9 chemical-shift based assignments, quality = 0.551, support = 0.0196, residual support = 0.0196:
          HA    THR   26 - HN    SER   85  16.26 +/- 0.35  11.447% * 23.1039% (0.98   0.02   0.02) =  30.756%  kept
          HA    ASN   28 - HN    SER   85  13.36 +/- 0.53  37.563% *  5.2476% (0.22   0.02   0.02) =  22.924%  kept
          HA    GLU-  25 - HN    SER   85  14.19 +/- 0.44  26.042% *  4.1279% (0.18   0.02   0.02) =  12.502%  kept
          HA    CYS   53 - HN    SER   85  17.58 +/- 0.52   7.399% * 14.2963% (0.61   0.02   0.02) =  12.301%  kept
          HA1   GLY  101 - HN    SER   85  18.43 +/- 1.75   6.234% * 13.3446% (0.57   0.02   0.02) =   9.675%  kept
          HA    ILE   19 - HN    SER   85  19.21 +/- 0.39   4.244% *  8.0401% (0.34   0.02   0.02) =   3.969%  kept
          HA    GLU- 114 - HN    SER   85  22.55 +/- 0.69   1.650% * 17.1158% (0.73   0.02   0.02) =   3.284%  kept
          HA    ALA   34 - HN    SER   85  20.90 +/- 0.53   2.561% *  8.8463% (0.38   0.02   0.02) =   2.634%  kept
          HA    LEU  115 - HN    SER   85  20.57 +/- 0.54   2.860% *  5.8774% (0.25   0.02   0.02) =   1.955%
    Distance limit 3.83 A violated in 20 structures by 7.55 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   2.63 +/- 0.07  99.988% * 99.2397% (0.99   3.33  13.43) = 100.000%  kept
          HN    THR   94 - HN    ASP-  86  12.49 +/- 0.54   0.009% *  0.1338% (0.22   0.02   0.02) =   0.000%
          HN    GLN   32 - HN    ASP-  86  15.84 +/- 0.57   0.002% *  0.5213% (0.87   0.02   0.02) =   0.000%
        T HN    ALA   34 - HN    ASP-  86  17.95 +/- 0.56   0.001% *  0.1052% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 487 (7.69, 8.31, 124.24 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 3.69, residual support = 22.3:
          HN    TRP   87 - HN    ASP-  86   2.42 +/- 0.04  99.887% * 98.7385% (0.95   3.69  22.32) = 100.000%  kept
          HE3   TRP   87 - HN    ASP-  86   7.49 +/- 0.09   0.113% *  0.1746% (0.31   0.02  22.32) =   0.000%
          HN    GLN   17 - HN    ASP-  86  23.65 +/- 0.68   0.000% *  0.5646% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - HN    ASP-  86  26.14 +/- 1.25   0.000% *  0.5223% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 488 (4.31, 8.31, 124.24 ppm):
    9 chemical-shift based assignments, quality = 0.842, support = 4.03, residual support = 40.0:
      O   HA    ASP-  86 - HN    ASP-  86   2.83 +/- 0.01  77.746% * 85.9339% (0.87   4.05  40.96) =  96.499%  kept
      O   HA    SER   85 - HN    ASP-  86   3.56 +/- 0.01  19.647% * 12.3181% (0.15   3.27  13.43) =   3.496%  kept
          HA    TRP   87 - HN    ASP-  86   5.00 +/- 0.03   2.545% *  0.1359% (0.28   0.02  22.32) =   0.005%
          HB    THR   77 - HN    ASP-  86   9.70 +/- 0.67   0.053% *  0.0754% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ASP-  86  13.09 +/- 0.34   0.008% *  0.0967% (0.20   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ASP-  86  19.02 +/- 0.32   0.001% *  0.4717% (0.97   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP-  86  26.93 +/- 1.84   0.000% *  0.4512% (0.92   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP-  86  30.58 +/- 3.13   0.000% *  0.4083% (0.84   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  86  31.58 +/- 4.48   0.000% *  0.1088% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 489 (8.31, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.69, residual support = 22.3:
          HN    ASP-  86 - HN    TRP   87   2.42 +/- 0.04  99.994% * 98.4310% (1.00   3.69  22.32) = 100.000%  kept
          HN    GLN   30 - HN    TRP   87  15.15 +/- 0.30   0.002% *  0.5336% (1.00   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    TRP   87  15.02 +/- 0.30   0.002% *  0.3883% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  99 - HN    TRP   87  15.23 +/- 0.36   0.002% *  0.1651% (0.31   0.02   0.02) =   0.000%
          HE1   HIS  122 - HN    TRP   87  19.05 +/- 2.30   0.001% *  0.2007% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    TRP   87  26.30 +/- 2.11   0.000% *  0.2814% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 490 (4.33, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.845, support = 3.98, residual support = 62.2:
      O   HA    TRP   87 - HN    TRP   87   2.93 +/- 0.01  72.974% * 80.4777% (0.90   4.03  65.65) =  92.033%  kept
      O   HA    ASP-  86 - HN    TRP   87   3.46 +/- 0.01  27.023% * 18.8123% (0.25   3.39  22.32) =   7.967%  kept
          HA    LEU  104 - HN    TRP   87  16.87 +/- 0.33   0.002% *  0.3061% (0.69   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    TRP   87  20.88 +/- 0.41   0.001% *  0.1672% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    TRP   87  26.15 +/- 1.85   0.000% *  0.1375% (0.31   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    TRP   87  30.07 +/- 2.94   0.000% *  0.0992% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (7.73, 10.56, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.293, support = 1.89, residual support = 65.7:
      O   HD1   TRP   87 - HE1   TRP   87   2.64 +/- 0.00  98.688% * 26.1147% (0.28   1.89  65.65) =  96.740%  kept
          HE3   TRP   87 - HE1   TRP   87   5.48 +/- 0.00   1.227% * 70.7376% (0.73   1.96  65.65) =   3.258%  kept
          HN    TRP   27 - HE1   TRP   87   8.76 +/- 0.21   0.075% *  0.8928% (0.90   0.02   6.25) =   0.003%
          HN    ALA   91 - HE1   TRP   87  13.03 +/- 0.54   0.007% *  0.9867% (0.99   0.02   0.02) =   0.000%
          HN    THR   39 - HE1   TRP   87  15.18 +/- 0.53   0.003% *  0.3073% (0.31   0.02   0.02) =   0.000%
          HN    ALA   61 - HE1   TRP   87  19.06 +/- 0.53   0.001% *  0.9608% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 492 (6.74, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 2.0, residual support = 6.25:
          HZ2   TRP   27 - HE1   TRP   87   2.85 +/- 0.69  99.996% * 99.7535% (0.80   2.00   6.25) = 100.000%  kept
          HZ    PHE   72 - HE1   TRP   87  16.96 +/- 0.72   0.004% *  0.2465% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 493 (4.31, 7.82, 121.71 ppm):
    9 chemical-shift based assignments, quality = 0.35, support = 2.63, residual support = 4.3:
      O   HA    TRP   87 - HN    ALA   88   3.29 +/- 0.07  39.313% * 75.0433% (0.28   2.97   4.92) =  87.384%  kept
          HA    ASP-  86 - HN    ALA   88   3.62 +/- 0.11  22.219% * 18.6851% (0.87   0.24   0.02) =  12.297%  kept
          HA    SER   85 - HN    ALA   88   3.31 +/- 0.15  38.387% *  0.2803% (0.15   0.02   0.02) =   0.319%
          HB    THR   77 - HN    ALA   88   9.72 +/- 0.48   0.061% *  0.2803% (0.15   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    ALA   88  11.93 +/- 0.44   0.018% *  0.3595% (0.20   0.02   0.02) =   0.000%
          HA    LEU  104 - HN    ALA   88  16.68 +/- 0.55   0.002% *  1.7530% (0.97   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ALA   88  27.89 +/- 1.82   0.000% *  1.6768% (0.92   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ALA   88  31.92 +/- 2.85   0.000% *  1.5173% (0.84   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   88  33.13 +/- 4.16   0.000% *  0.4044% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 494 (4.32, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.603, support = 0.853, residual support = 12.9:
          HA    TRP   87 - HN    ILE   89   4.30 +/- 0.09  84.969% * 76.5440% (0.61   0.88  13.37) =  96.197%  kept
          HA    ASP-  86 - HN    ILE   89   5.79 +/- 0.25  14.992% * 17.1476% (0.53   0.23   0.02) =   3.802%  kept
          HA    LEU  104 - HN    ILE   89  16.72 +/- 0.38   0.025% *  2.7205% (0.95   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    ILE   89  19.14 +/- 0.29   0.011% *  0.4437% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE   89  26.60 +/- 1.77   0.002% *  1.7443% (0.61   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE   89  30.85 +/- 2.62   0.001% *  1.3999% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 495 (7.72, 8.62, 127.39 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 6.75, residual support = 32.7:
          HN    ALA   91 - HN    GLN   90   2.29 +/- 0.36  99.965% * 99.1370% (0.92   6.75  32.73) = 100.000%  kept
          HE3   TRP   87 - HN    GLN   90   9.45 +/- 0.30   0.032% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLN   90  15.87 +/- 1.28   0.002% *  0.1930% (0.61   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    GLN   90  17.04 +/- 0.63   0.001% *  0.3071% (0.97   0.02   0.02) =   0.000%
          HN    GLN   17 - HN    GLN   90  22.43 +/- 1.05   0.000% *  0.0557% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 496 (4.48, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.382, support = 5.33, residual support = 85.1:
      O   HA    GLN   90 - HN    GLN   90   2.58 +/- 0.26  95.062% * 37.3589% (0.34   5.48  89.58) =  92.152%  kept
          HA    ALA   91 - HN    GLN   90   4.51 +/- 0.40   4.899% * 61.7378% (0.87   3.56  32.73) =   7.848%  kept
          HA    VAL  107 - HN    GLN   90  11.82 +/- 0.99   0.019% *  0.3861% (0.97   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    GLN   90  11.38 +/- 0.58   0.017% *  0.1794% (0.45   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    GLN   90  15.31 +/- 1.18   0.002% *  0.2588% (0.65   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    GLN   90  17.42 +/- 0.43   0.001% *  0.0792% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 497 (6.79, 7.39, 112.01 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 1.0, residual support = 89.6:
      O T HE22  GLN   90 - HE21  GLN   90   1.73 +/- 0.00 100.000% * 97.3706% (0.92   1.00  89.58) = 100.000%  kept
        T HE22  GLN   32 - HE21  GLN   90  26.42 +/- 2.56   0.000% *  1.7621% (0.83   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN   90  28.44 +/- 1.75   0.000% *  0.8673% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 498 (7.38, 6.80, 112.00 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 1.0, residual support = 89.6:
      O   HE21  GLN   90 - HE22  GLN   90   1.73 +/- 0.00  99.841% * 94.3291% (0.76   1.00  89.58) =  99.999%  kept
          HD21  ASN   35 - HE22  GLN   32   6.22 +/- 1.40   0.158% *  0.6127% (0.25   0.02   6.86) =   0.001%
          HD1   TRP   49 - HE22  GLN   90  14.21 +/- 1.81   0.000% *  0.3809% (0.15   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   90  20.11 +/- 3.05   0.000% *  0.6156% (0.25   0.02   0.02) =   0.000%
          HD21  ASN   35 - HE22  GLN   90  23.77 +/- 1.66   0.000% *  1.5970% (0.65   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   90  20.87 +/- 1.01   0.000% *  0.5496% (0.22   0.02   0.02) =   0.000%
          HD2   HIS   22 - HE22  GLN   32  19.30 +/- 1.15   0.000% *  0.2362% (0.10   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN   32  26.42 +/- 2.56   0.000% *  0.7238% (0.29   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   90  26.07 +/- 2.43   0.000% *  0.4323% (0.18   0.02   0.02) =   0.000%
          HN    ALA   57 - HE22  GLN   32  31.06 +/- 0.82   0.000% *  0.2109% (0.09   0.02   0.02) =   0.000%
          HD1   TRP   49 - HE22  GLN   32  30.76 +/- 1.31   0.000% *  0.1461% (0.06   0.02   0.02) =   0.000%
          HE21  GLN  116 - HE22  GLN   32  34.48 +/- 1.01   0.000% *  0.1659% (0.07   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 499 (8.62, 7.72, 122.85 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.75, residual support = 32.7:
        T HN    GLN   90 - HN    ALA   91   2.29 +/- 0.36  99.629% * 99.3521% (0.95   6.75  32.73) =  99.999%  kept
          HN    GLY  109 - HN    ALA   91   6.62 +/- 1.02   0.347% *  0.1637% (0.53   0.02   0.02) =   0.001%
          HN    SER   82 - HN    ALA   91  11.85 +/- 0.97   0.010% *  0.0693% (0.22   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    ALA   91  18.08 +/- 0.53   0.001% *  0.3112% (1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HN    TRP   27  11.10 +/- 0.50   0.011% *  0.0086% (0.03   0.02   0.02) =   0.000%
        T HN    GLN   90 - HN    TRP   27  15.87 +/- 1.28   0.002% *  0.0364% (0.12   0.02   0.02) =   0.000%
          HN    ILE  103 - HN    TRP   27  19.50 +/- 0.40   0.000% *  0.0385% (0.12   0.02   0.02) =   0.000%
          HN    GLY  109 - HN    TRP   27  20.42 +/- 0.32   0.000% *  0.0202% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 0.152, support = 0.02, residual support = 9.39:
          HA    LEU   73 - HN    TRP   27   8.74 +/- 0.36  98.225% * 10.9973% (0.08   0.02  10.76) =  87.239%  kept
          HA    LEU   73 - HN    ALA   91  17.15 +/- 0.62   1.775% * 89.0027% (0.65   0.02   0.02) =  12.761%  kept
    Distance limit 4.37 A violated in 20 structures by 4.35 A, eliminated.
    Peak unassigned.
 
    Peak 501 (4.49, 7.72, 122.85 ppm):
    10 chemical-shift based assignments, quality = 0.78, support = 3.03, residual support = 33.1:
      O   HA    ALA   91 - HN    ALA   91   2.93 +/- 0.02  40.926% * 80.0184% (1.00   2.46  12.43) =  75.286%  kept
      O   HA    TRP   27 - HN    TRP   27   2.75 +/- 0.02  59.035% * 18.2099% (0.12   4.77  96.23) =  24.714%  kept
          HA    VAL  107 - HN    ALA   91  11.73 +/- 1.07   0.013% *  0.6179% (0.95   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    ALA   91  10.87 +/- 0.87   0.019% *  0.1144% (0.18   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ALA   91  12.70 +/- 0.38   0.006% *  0.2228% (0.34   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    ALA   91  17.38 +/- 0.67   0.001% *  0.6179% (0.95   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    TRP   27  18.99 +/- 0.85   0.001% *  0.0805% (0.12   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    TRP   27  22.04 +/- 0.29   0.000% *  0.0764% (0.12   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    TRP   27  23.59 +/- 0.41   0.000% *  0.0275% (0.04   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    TRP   27  22.01 +/- 0.37   0.000% *  0.0141% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 503 (4.88, 8.46, 118.59 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 4.21, residual support = 61.7:
      O   HA    MET   92 - HN    MET   92   2.25 +/- 0.17  99.979% * 96.2390% (0.25   4.21  61.72) = 100.000%  kept
          HA    PHE   45 - HN    MET   92   9.44 +/- 0.26   0.020% *  0.4575% (0.25   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    MET   92  20.97 +/- 0.21   0.000% *  1.4690% (0.80   0.02   0.02) =   0.000%
          HA    HIS  122 - HN    MET   92  24.26 +/- 0.41   0.000% *  1.8346% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 504 (4.50, 8.46, 118.59 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 2.89, residual support = 8.96:
      O   HA    ALA   91 - HN    MET   92   2.28 +/- 0.10  99.960% * 97.8875% (0.80   2.89   8.96) = 100.000%  kept
          HA    PRO   52 - HN    MET   92   8.89 +/- 0.41   0.031% *  0.5812% (0.69   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    MET   92  12.72 +/- 0.45   0.003% *  0.5473% (0.65   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HN    MET   92  11.83 +/- 0.48   0.005% *  0.1674% (0.20   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    MET   92  19.00 +/- 0.33   0.000% *  0.8165% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 505 (8.75, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.3, residual support = 27.1:
        T HN    PHE   45 - HN    THR   94   3.09 +/- 0.17  98.974% * 99.3645% (0.95   3.30  27.12) =  99.993%  kept
          HN    ALA  110 - HN    THR   94   6.81 +/- 0.39   1.026% *  0.6355% (1.00   0.02   0.02) =   0.007%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 506 (5.60, 8.03, 115.19 ppm):
    1 chemical-shift based assignment, quality = 0.135, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - HN    THR   94   8.79 +/- 0.21 100.000% *100.0000% (0.14   0.02   0.02) = 100.000%  kept
    Distance limit 4.30 A violated in 20 structures by 4.49 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 = 15.4:
      O   HA    PRO   93 - HN    THR   94   2.17 +/- 0.03  99.960% * 99.5674% (0.22   4.09  15.43) = 100.000%  kept
          HA    ASP-  76 - HN    THR   94   8.09 +/- 0.41   0.040% *  0.4326% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 508 (4.91, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.961, support = 0.02, residual support = 0.02:
          HA    MET   92 - HN    THR   94   6.09 +/- 0.18  85.425% * 54.6147% (1.00   0.02   0.02) =  90.656%  kept
          HA    LYS+  74 - HN    THR   94   8.21 +/- 0.18  14.431% * 33.1992% (0.61   0.02   0.02) =   9.310%  kept
          HA    HIS  122 - HN    THR   94  17.72 +/- 0.42   0.143% * 12.1862% (0.22   0.02   0.02) =   0.034%
    Distance limit 3.72 A violated in 20 structures by 2.21 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 = 40.9:
          HN    VAL  107 - HN    PHE   95   2.84 +/- 0.24  99.993% * 99.0525% (0.97   2.00  40.89) = 100.000%  kept
          HN    GLY   51 - HN    PHE   95  14.43 +/- 0.25   0.007% *  0.9475% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 510 (7.01, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 3.86, residual support = 73.5:
          QD    PHE   95 - HN    PHE   95   3.43 +/- 0.22  99.742% * 99.3381% (0.87   3.86  73.52) =  99.999%  kept
          HN    ALA   47 - HN    PHE   95  11.20 +/- 0.27   0.086% *  0.5141% (0.87   0.02   0.02) =   0.000%
          QE    PHE   72 - HN    PHE   95  10.09 +/- 0.60   0.172% *  0.1478% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 511 (5.96, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.33, residual support = 73.5:
      O   HA    PHE   95 - HN    PHE   95   2.93 +/- 0.00 100.000% *100.0000% (1.00   4.33  73.52) = 100.000%  kept
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 512 (4.94, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 3.16, residual support = 14.1:
      O   HA    THR   94 - HN    PHE   95   2.22 +/- 0.04  99.972% * 99.0684% (0.65   3.16  14.14) = 100.000%  kept
          HA    LYS+  74 - HN    PHE   95  10.19 +/- 0.17   0.011% *  0.7400% (0.76   0.02   0.02) =   0.000%
          HA    MET   92 - HN    PHE   95   9.38 +/- 0.17   0.018% *  0.1916% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 513 (5.96, 9.32, 123.66 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 4.0, residual support = 12.0:
      O   HA    PHE   95 - HN    MET   96   2.20 +/- 0.01 100.000% *100.0000% (0.95   4.00  11.99) = 100.000%  kept
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 514 (5.31, 9.32, 123.66 ppm):
    2 chemical-shift based assignments, quality = 0.938, support = 4.09, residual support = 115.5:
      O   HA    MET   96 - HN    MET   96   2.91 +/- 0.00  99.735% * 99.9026% (0.94   4.09 115.55) = 100.000%  kept
          HA    PHE   72 - HN    MET   96   7.84 +/- 0.18   0.265% *  0.0974% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 515 (7.80, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 4.22, residual support = 57.2:
        T HN    ASP- 105 - HN    PHE   97   3.53 +/- 0.17  99.925% * 99.9060% (1.00   4.22  57.21) = 100.000%  kept
          HN    ALA   88 - HN    PHE   97  11.84 +/- 0.48   0.075% *  0.0940% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.20 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 = 4.1, residual support = 62.6:
          QD    PHE   97 - HN    PHE   97   3.24 +/- 0.22  97.527% * 98.9939% (0.80   4.10  62.65) =  99.987%  kept
          HZ3   TRP   87 - HN    PHE   97   6.10 +/- 0.38   2.472% *  0.5232% (0.87   0.02   0.02) =   0.013%
          HE3   TRP   49 - HN    PHE   97  22.95 +/- 0.25   0.001% *  0.4829% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 3.34, residual support = 12.4:
          HA    LYS+ 106 - HN    PHE   97   3.45 +/- 0.14 100.000% *100.0000% (0.98   3.34  12.38) = 100.000%  kept
    Distance limit 4.27 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 = 46.1:
      O   HA    MET   96 - HN    PHE   97   2.22 +/- 0.01  99.985% * 99.9343% (0.99   6.07  46.12) = 100.000%  kept
          HA    PHE   72 - HN    PHE   97   9.68 +/- 0.20   0.015% *  0.0657% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 519 (9.01, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 4.52, residual support = 15.0:
        T HN    VAL   41 - HN    LEU   98   3.37 +/- 0.29 100.000% *100.0000% (0.69   4.52  15.02) = 100.000%  kept
    Distance limit 3.91 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 = 83.8:
      O   HA    LEU   98 - HN    LEU   98   2.94 +/- 0.00 100.000% *100.0000% (0.80   5.21  83.82) = 100.000%  kept
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 521 (5.36, 9.69, 125.68 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.54, residual support = 11.2:
      O   HA    PHE   97 - HN    LEU   98   2.20 +/- 0.00 100.000% *100.0000% (0.98   3.54  11.23) = 100.000%  kept
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 522 (4.42, 9.69, 125.68 ppm):
    8 chemical-shift based assignments, quality = 0.484, support = 1.26, residual support = 4.44:
          HA    VAL   42 - HN    LEU   98   3.55 +/- 0.22  84.881% * 16.1836% (0.45   0.53   0.28) =  54.288%  kept
          HA    LEU   40 - HN    LEU   98   4.86 +/- 0.29  15.046% * 76.8673% (0.53   2.13   9.38) =  45.708%  kept
          HA    SER   37 - HN    LEU   98  13.71 +/- 0.32   0.027% *  1.3252% (0.97   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    LEU   98  15.26 +/- 0.42   0.014% *  1.3252% (0.97   0.02   0.02) =   0.001%
          HA    THR   46 - HN    LEU   98  15.85 +/- 0.15   0.011% *  1.3610% (0.99   0.02   0.02) =   0.001%
          HA    GLU-  15 - HN    LEU   98  15.63 +/- 1.18   0.013% *  0.9971% (0.73   0.02   0.02) =   0.001%
          HA    PRO   58 - HN    LEU   98  17.73 +/- 0.33   0.006% *  0.9433% (0.69   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU   98  21.51 +/- 2.03   0.002% *  0.9971% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 0.606, residual support = 1.21:
          HN    LYS+ 102 - HN    LYS+  99   2.68 +/- 0.64  98.294% * 93.6604% (0.95   0.61   1.21) =  99.989%  kept
          HN    ASP- 105 - HN    LYS+  99   6.32 +/- 0.28   1.387% *  0.5722% (0.18   0.02   0.02) =   0.009%
          HN    THR   39 - HN    LYS+  99   9.16 +/- 0.44   0.117% *  1.2263% (0.38   0.02   0.02) =   0.002%
          HN    GLU-  36 - HN    LYS+  99  12.60 +/- 0.50   0.018% *  2.6164% (0.80   0.02   0.02) =   0.001%
          HN    GLU-  36 - HN    GLN   30   9.36 +/- 0.14   0.113% *  0.1719% (0.05   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    LYS+  99  14.02 +/- 0.29   0.010% *  1.3433% (0.41   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLN   30  11.88 +/- 0.31   0.029% *  0.0883% (0.03   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLN   30  11.88 +/- 0.21   0.028% *  0.0806% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HN    GLN   30  16.81 +/- 1.33   0.002% *  0.2031% (0.06   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLN   30  18.78 +/- 0.31   0.002% *  0.0376% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 1 structures by 0.07 A, kept.
 
    Peak 524 (5.51, 8.33, 118.17 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.98, residual support = 15.8:
      O   HA    LEU   98 - HN    LYS+  99   2.24 +/- 0.02  99.999% * 99.9670% (0.99   3.98  15.78) = 100.000%  kept
          HA    LEU   98 - HN    GLN   30  15.28 +/- 0.40   0.001% *  0.0330% (0.07   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 525 (4.37, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.801, support = 5.09, residual support = 171.6:
      O   HA    LYS+  99 - HN    LYS+  99   2.91 +/- 0.02  99.800% * 98.1769% (0.80   5.09 171.63) = 100.000%  kept
          HA    ASN   35 - HN    LYS+  99   9.21 +/- 0.55   0.108% *  0.3119% (0.65   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    LYS+  99  12.57 +/- 0.42   0.016% *  0.0744% (0.15   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN   30  10.16 +/- 0.12   0.056% *  0.0205% (0.04   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    LYS+  99  16.13 +/- 0.80   0.004% *  0.2347% (0.49   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    LYS+  99  18.21 +/- 0.34   0.002% *  0.2924% (0.61   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LYS+  99  21.97 +/- 0.40   0.001% *  0.4811% (1.00   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LYS+  99  20.57 +/- 0.13   0.001% *  0.2924% (0.61   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLN   30  14.47 +/- 0.55   0.007% *  0.0254% (0.05   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN   30  15.10 +/- 0.29   0.005% *  0.0049% (0.01   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLN   30  21.86 +/- 0.34   0.001% *  0.0192% (0.04   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLN   30  22.88 +/- 0.32   0.000% *  0.0192% (0.04   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    GLN   30  25.10 +/- 0.72   0.000% *  0.0154% (0.03   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLN   30  29.90 +/- 0.39   0.000% *  0.0316% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 526 (8.85, 10.11, 128.03 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.61, residual support = 14.9:
        T HN    GLY  101 - HN    GLU- 100   2.93 +/- 0.42  96.951% * 99.9250% (1.00   3.61  14.95) =  99.998%  kept
          HN    LEU   40 - HN    GLU- 100   5.49 +/- 0.62   3.049% *  0.0750% (0.14   0.02   0.02) =   0.002%
    Distance limit 3.94 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 = 6.79, residual support = 40.2:
      O   HA    LYS+  99 - HN    GLU- 100   2.19 +/- 0.02  96.429% * 98.8189% (0.99   6.79  40.20) =  99.997%  kept
          HA    LEU   40 - HN    GLU- 100   4.01 +/- 0.47   3.298% *  0.0581% (0.20   0.02   0.02) =   0.002%
          HA    ASN   35 - HN    GLU- 100   6.09 +/- 0.78   0.272% *  0.2709% (0.92   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    GLU- 100  17.21 +/- 0.84   0.000% *  0.2350% (0.80   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU- 100  22.99 +/- 0.26   0.000% *  0.2632% (0.90   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLU- 100  20.18 +/- 0.45   0.000% *  0.0906% (0.31   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU- 100  25.23 +/- 0.44   0.000% *  0.2632% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 529 (7.77, 8.85, 104.25 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.13, residual support = 12.5:
          HN    LYS+ 102 - HN    GLY  101   2.54 +/- 0.61  99.755% * 98.8244% (0.95   3.13  12.53) =  99.999%  kept
          HN    THR   39 - HN    GLY  101   8.00 +/- 0.93   0.126% *  0.2504% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  36 - HN    GLY  101  10.35 +/- 0.89   0.033% *  0.5342% (0.80   0.02   0.02) =   0.000%
          HN    ASP- 105 - HN    GLY  101   9.53 +/- 0.29   0.079% *  0.1168% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLY  101  14.23 +/- 0.50   0.006% *  0.2742% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 530 (8.33, 7.76, 120.90 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 0.606, residual support = 1.21:
          HN    LYS+  99 - HN    LYS+ 102   2.68 +/- 0.64  99.924% * 92.5735% (0.98   0.61   1.21) =  99.998%  kept
          HE1   HIS  122 - HN    LYS+ 102  12.15 +/- 3.11   0.053% *  2.9483% (0.95   0.02   0.02) =   0.002%
          HN    ASN   35 - HN    LYS+ 102  11.43 +/- 1.42   0.019% *  0.4809% (0.15   0.02   0.02) =   0.000%
          HN    GLN   30 - HN    LYS+ 102  16.81 +/- 1.33   0.002% *  0.7772% (0.25   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    LYS+ 102  17.46 +/- 0.69   0.002% *  0.6168% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  14 - HN    LYS+ 102  24.16 +/- 2.12   0.000% *  2.6033% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.03 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   2.54 +/- 0.61  99.945% * 99.9135% (1.00   3.13  12.53) = 100.000%  kept
          HN    LEU   40 - HN    LYS+ 102   9.22 +/- 1.01   0.055% *  0.0865% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.01 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   2.93 +/- 0.42 100.000% *100.0000% (0.80   3.61  14.95) = 100.000%  kept
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (4.37, 8.85, 104.25 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 1.43, residual support = 1.43:
          HA    LYS+  99 - HN    GLY  101   3.64 +/- 0.54  91.894% * 94.6250% (0.99   1.43   1.43) =  99.946%  kept
          HA    ASN   35 - HN    GLY  101   6.81 +/- 0.90   2.585% *  1.2330% (0.92   0.02   0.02) =   0.037%
          HA    LEU   40 - HN    GLY  101   5.93 +/- 0.86   5.508% *  0.2643% (0.20   0.02   0.02) =   0.017%
          HA    LEU  123 - HN    GLY  101  18.78 +/- 0.83   0.007% *  1.0695% (0.80   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLY  101  23.23 +/- 0.51   0.002% *  1.1979% (0.90   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLY  101  25.15 +/- 0.46   0.001% *  1.1979% (0.90   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    GLY  101  20.93 +/- 0.67   0.003% *  0.4123% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 534 (4.14, 8.85, 104.25 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 2.86, residual support = 15.4:
      O   HA1   GLY  101 - HN    GLY  101   2.44 +/- 0.18  99.961% * 96.7496% (1.00   2.86  15.44) = 100.000%  kept
          HA    ALA   34 - HN    GLY  101   9.36 +/- 0.94   0.033% *  0.6546% (0.97   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLY  101  13.28 +/- 0.96   0.004% *  0.5666% (0.84   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLY  101  18.96 +/- 0.43   0.000% *  0.5884% (0.87   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLY  101  18.72 +/- 0.95   0.001% *  0.4388% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLY  101  21.05 +/- 0.45   0.000% *  0.6417% (0.95   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    GLY  101  19.66 +/- 1.17   0.000% *  0.1510% (0.22   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    GLY  101  28.08 +/- 0.76   0.000% *  0.2094% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 535 (9.36, 8.62, 122.05 ppm):
    2 chemical-shift based assignments, quality = 0.487, support = 6.66, residual support = 38.5:
          HN    LEU  104 - HN    ILE  103   4.52 +/- 0.08  99.960% * 99.3990% (0.49   6.66  38.55) = 100.000%  kept
          HN    PHE   72 - HN    ILE  103  16.67 +/- 0.27   0.040% *  0.6010% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.11 A, kept.
 
    Peak 536 (4.60, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.98, residual support = 22.7:
      O   HA    LYS+ 102 - HN    ILE  103   2.26 +/- 0.11  99.999% * 99.2664% (0.97   5.98  22.69) = 100.000%  kept
          HA1   GLY  109 - HN    ILE  103  18.72 +/- 0.61   0.000% *  0.1174% (0.34   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ILE  103  21.34 +/- 0.34   0.000% *  0.2363% (0.69   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    ILE  103  21.54 +/- 0.33   0.000% *  0.1062% (0.31   0.02   0.02) =   0.000%
          HA    CYS   50 - HN    ILE  103  24.23 +/- 0.26   0.000% *  0.1062% (0.31   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ILE  103  28.99 +/- 0.27   0.000% *  0.1675% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 537 (4.28, 8.62, 122.05 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 7.12, residual support = 139.1:
      O   HA    ILE  103 - HN    ILE  103   2.80 +/- 0.04  99.973% * 98.0344% (0.98   7.12 139.10) = 100.000%  kept
          HA    THR   39 - HN    ILE  103  13.08 +/- 0.59   0.010% *  0.2348% (0.84   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ILE  103  14.28 +/- 0.33   0.006% *  0.2438% (0.87   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ILE  103  16.41 +/- 0.48   0.002% *  0.2595% (0.92   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ILE  103  13.96 +/- 0.52   0.007% *  0.0556% (0.20   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ILE  103  20.30 +/- 0.52   0.001% *  0.2595% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ILE  103  23.75 +/- 0.44   0.000% *  0.2521% (0.90   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ILE  103  22.11 +/- 0.29   0.000% *  0.1156% (0.41   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ILE  103  28.00 +/- 0.31   0.000% *  0.2041% (0.73   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ILE  103  31.09 +/- 3.56   0.000% *  0.2348% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ILE  103  26.22 +/- 1.55   0.000% *  0.0434% (0.15   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ILE  103  30.01 +/- 2.80   0.000% *  0.0626% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 538 (7.80, 9.38, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 7.26, residual support = 39.8:
        T HN    ASP- 105 - HN    LEU  104   2.57 +/- 0.19  99.997% * 99.9454% (1.00   7.26  39.79) = 100.000%  kept
          HN    ALA   88 - HN    LEU  104  14.54 +/- 0.51   0.003% *  0.0546% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 539 (5.50, 9.38, 128.74 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 2.08, residual support = 4.66:
          HA    LEU   98 - HN    LEU  104   2.76 +/- 0.27 100.000% *100.0000% (0.80   2.08   4.66) = 100.000%  kept
    Distance limit 3.84 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 = 6.75, residual support = 38.5:
      O   HA    ILE  103 - HN    LEU  104   2.21 +/- 0.06  99.988% * 97.8508% (0.95   6.75  38.55) = 100.000%  kept
          HA    ASP-  44 - HN    LEU  104  11.86 +/- 0.29   0.004% *  0.3066% (1.00   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU  104  11.21 +/- 0.49   0.006% *  0.1613% (0.53   0.02   0.02) =   0.000%
          HA    SER   85 - HN    LEU  104  17.57 +/- 0.46   0.000% *  0.3039% (0.99   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    LEU  104  16.12 +/- 0.39   0.001% *  0.1375% (0.45   0.02   0.02) =   0.000%
          HB    THR   77 - HN    LEU  104  19.74 +/- 0.45   0.000% *  0.3039% (0.99   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU  104  18.80 +/- 0.31   0.000% *  0.0537% (0.18   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    LEU  104  23.58 +/- 0.33   0.000% *  0.1860% (0.61   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    LEU  104  23.63 +/- 1.47   0.000% *  0.1151% (0.38   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU  104  29.27 +/- 3.04   0.000% *  0.3059% (1.00   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU  104  25.79 +/- 0.35   0.000% *  0.1261% (0.41   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    LEU  104  27.82 +/- 2.39   0.000% *  0.1492% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 541 (8.39, 7.80, 116.22 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 4.22, residual support = 57.2:
        T HN    PHE   97 - HN    ASP- 105   3.53 +/- 0.17  99.924% * 98.8827% (0.73   4.22  57.21) = 100.000%  kept
          HN    LEU  115 - HN    ASP- 105  12.16 +/- 0.29   0.064% *  0.4689% (0.73   0.02   0.02) =   0.000%
          HN    ASN   35 - HN    ASP- 105  15.91 +/- 0.43   0.012% *  0.1795% (0.28   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    ASP- 105  28.92 +/- 2.38   0.000% *  0.4689% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 7.26, residual support = 39.8:
        T HN    LEU  104 - HN    ASP- 105   2.57 +/- 0.19  99.995% * 99.9510% (0.87   7.26  39.79) = 100.000%  kept
          HN    PHE   72 - HN    ASP- 105  13.85 +/- 0.29   0.005% *  0.0490% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 543 (5.63, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 5.15, residual support = 130.1:
      O   HA    LYS+ 106 - HN    LYS+ 106   2.89 +/- 0.01 100.000% *100.0000% (0.95   5.15 130.11) = 100.000%  kept
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 544 (4.80, 8.97, 118.18 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.48, residual support = 19.7:
      O   HA    ASP- 105 - HN    LYS+ 106   2.52 +/- 0.02  99.999% * 98.2524% (0.92   3.48  19.68) = 100.000%  kept
          HA    LEU   80 - HN    LYS+ 106  21.94 +/- 0.56   0.000% *  0.5783% (0.95   0.02   0.02) =   0.000%
          HB    THR   23 - HN    LYS+ 106  25.77 +/- 0.39   0.000% *  0.6099% (1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HN    LYS+ 106  23.91 +/- 0.43   0.000% *  0.3708% (0.61   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    LYS+ 106  22.17 +/- 0.35   0.000% *  0.1887% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 545 (4.80, 7.80, 116.22 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 4.4, residual support = 40.5:
      O   HA    ASP- 105 - HN    ASP- 105   2.90 +/- 0.02  99.998% * 98.6117% (0.92   4.40  40.54) = 100.000%  kept
          HA    LEU   80 - HN    ASP- 105  21.54 +/- 0.67   0.001% *  0.4594% (0.95   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP- 105  24.38 +/- 0.43   0.000% *  0.4845% (1.00   0.02   0.02) =   0.000%
          HA    THR   23 - HN    ASP- 105  22.88 +/- 0.47   0.000% *  0.2945% (0.61   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ASP- 105  23.13 +/- 0.33   0.000% *  0.1499% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 546 (4.29, 7.80, 116.22 ppm):
    12 chemical-shift based assignments, quality = 0.422, support = 5.5, residual support = 30.3:
      O   HA    LEU  104 - HN    ASP- 105   3.62 +/- 0.03  71.310% * 51.1091% (0.34   6.39  39.79) =  73.541%  kept
          HA    ILE  103 - HN    ASP- 105   4.27 +/- 0.36  28.531% * 45.9597% (0.65   3.03   4.10) =  26.458%  kept
          HA    ASP-  44 - HN    ASP- 105  10.88 +/- 0.20   0.099% *  0.3918% (0.84   0.02   0.02) =   0.001%
          HA    THR   39 - HN    ASP- 105  12.61 +/- 0.37   0.041% *  0.1044% (0.22   0.02   0.02) =   0.000%
          HA    ASP-  86 - HN    ASP- 105  16.87 +/- 0.50   0.007% *  0.3756% (0.80   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ASP- 105  17.67 +/- 0.53   0.005% *  0.3585% (0.76   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ASP- 105  19.09 +/- 0.49   0.003% *  0.3585% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  14 - HN    ASP- 105  23.82 +/- 1.37   0.001% *  0.3407% (0.73   0.02   0.02) =   0.000%
          HA    ALA   12 - HN    ASP- 105  28.29 +/- 2.10   0.000% *  0.3918% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ASP- 105  23.53 +/- 0.33   0.001% *  0.1304% (0.28   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP- 105  29.98 +/- 2.72   0.000% *  0.4069% (0.87   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ASP- 105  24.11 +/- 0.23   0.001% *  0.0724% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 547 (7.14, 9.57, 125.50 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 0.75, residual support = 0.75:
          QD    PHE   97 - HN    VAL  107   4.27 +/- 0.06  99.206% * 97.0873% (0.87   0.75   0.75) =  99.981%  kept
          HZ3   TRP   87 - HN    VAL  107   9.65 +/- 0.43   0.782% *  2.3899% (0.80   0.02   0.02) =   0.019%
          HE3   TRP   49 - HN    VAL  107  19.26 +/- 0.38   0.012% *  0.5227% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 548 (5.62, 9.57, 125.50 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.24, residual support = 20.5:
      O   HA    LYS+ 106 - HN    VAL  107   2.20 +/- 0.02 100.000% *100.0000% (0.98   4.24  20.46) = 100.000%  kept
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 549 (4.49, 9.57, 125.50 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.66, residual support = 53.5:
      O   HA    VAL  107 - HN    VAL  107   2.93 +/- 0.01  99.820% * 98.5975% (0.95   3.66  53.49) = 100.000%  kept
          HA    ALA  110 - HN    VAL  107   8.67 +/- 0.41   0.157% *  0.0998% (0.18   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    VAL  107  12.96 +/- 0.70   0.015% *  0.5689% (1.00   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    VAL  107  17.32 +/- 0.26   0.002% *  0.5393% (0.95   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    VAL  107  14.74 +/- 0.30   0.006% *  0.1945% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 550 (7.14, 7.80, 116.22 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 5.5, residual support = 57.2:
          QD    PHE   97 - HN    ASP- 105   3.66 +/- 0.14  99.373% * 99.5925% (0.87   5.50  57.21) =  99.998%  kept
          HZ3   TRP   87 - HN    ASP- 105   8.71 +/- 0.49   0.626% *  0.3344% (0.80   0.02   0.02) =   0.002%
          HE3   TRP   49 - HN    ASP- 105  25.55 +/- 0.29   0.001% *  0.0731% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 551 (4.93, 8.60, 114.88 ppm):
    3 chemical-shift based assignments, quality = 0.26, support = 0.02, residual support = 0.02:
          HA    THR   94 - HN    GLY  109   3.19 +/- 0.26  97.339% * 19.2756% (0.26   0.02   0.02) =  96.498%  kept
          HA    MET   92 - HN    GLY  109   5.98 +/- 0.53   2.639% * 25.3346% (0.34   0.02   0.02) =   3.439%  kept
          HA    LYS+  74 - HN    GLY  109  13.01 +/- 0.36   0.022% * 55.3898% (0.74   0.02   0.02) =   0.063%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 552 (4.58, 8.60, 114.88 ppm):
    7 chemical-shift based assignments, quality = 0.563, support = 2.14, residual support = 8.52:
      O   HA1   GLY  109 - HN    GLY  109   2.30 +/- 0.15  48.605% * 57.4499% (0.73   1.76   9.42) =  57.464%  kept
      O   HA    VAL  108 - HN    GLY  109   2.27 +/- 0.03  51.385% * 40.2247% (0.34   2.66   7.31) =  42.536%  kept
          HA    CYS   50 - HN    GLY  109  10.60 +/- 0.61   0.005% *  0.6623% (0.74   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    GLY  109  11.15 +/- 0.52   0.004% *  0.3825% (0.43   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    GLY  109  15.26 +/- 0.63   0.001% *  0.5861% (0.65   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    GLY  109  19.40 +/- 0.34   0.000% *  0.4641% (0.52   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HN    GLY  109  18.74 +/- 0.48   0.000% *  0.2305% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 553 (7.59, 8.75, 122.21 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 3.04, residual support = 9.1:
          HN    LYS+ 111 - HN    ALA  110   3.55 +/- 0.17  97.013% * 97.3114% (0.90   3.04   9.10) =  99.978%  kept
          HN    ILE   56 - HN    ALA  110   6.64 +/- 0.67   2.952% *  0.6989% (0.98   0.02   6.92) =   0.022%
          HN    LEU   63 - HN    ALA  110  14.53 +/- 0.54   0.022% *  0.6582% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ALA  110  16.78 +/- 0.57   0.009% *  0.6395% (0.90   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HN    ALA  110  19.59 +/- 0.62   0.004% *  0.1249% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HN    ALA  110  26.31 +/- 0.95   0.001% *  0.2201% (0.31   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ALA  110  30.87 +/- 1.61   0.000% *  0.3471% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 554 (4.57, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 2.07, residual support = 6.44:
      O   HA1   GLY  109 - HN    ALA  110   2.50 +/- 0.31  96.940% * 95.5707% (0.69   2.07   6.44) =  99.964%  kept
          HA    VAL  108 - HN    ALA  110   6.15 +/- 0.60   2.975% *  1.0777% (0.80   0.02   0.02) =   0.035%
          HA    CYS   50 - HN    ALA  110   8.79 +/- 0.51   0.062% *  0.9773% (0.73   0.02   0.02) =   0.001%
          HA    ALA   47 - HN    ALA  110  11.09 +/- 0.58   0.017% *  1.2070% (0.90   0.02   0.02) =   0.000%
          HA    TRP   49 - HN    ALA  110  13.27 +/- 0.60   0.005% *  0.7081% (0.53   0.02   0.02) =   0.000%
          HA    CYS   21 - HN    ALA  110  20.66 +/- 0.54   0.000% *  0.4591% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 555 (4.49, 8.75, 122.21 ppm):
    5 chemical-shift based assignments, quality = 0.175, support = 2.74, residual support = 9.57:
      O   HA    ALA  110 - HN    ALA  110   2.82 +/- 0.13  98.488% * 88.1192% (0.18   2.74   9.57) =  99.969%  kept
          HA    PRO   52 - HN    ALA  110   6.05 +/- 0.49   1.188% *  1.2544% (0.34   0.02   0.02) =   0.017%
          HA    ALA   91 - HN    ALA  110   8.61 +/- 0.98   0.201% *  3.6692% (1.00   0.02   0.02) =   0.008%
          HA    VAL  107 - HN    ALA  110   8.62 +/- 0.48   0.123% *  3.4786% (0.95   0.02   0.02) =   0.005%
          HA    TRP   27 - HN    ALA  110  21.22 +/- 0.49   0.001% *  3.4786% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 556 (8.49, 7.58, 125.75 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 5.34, residual support = 25.5:
        T HN    LYS+ 112 - HN    LYS+ 111   4.31 +/- 0.05  99.796% * 99.3188% (0.99   5.34  25.46) = 100.000%  kept
          HN    THR   46 - HN    LYS+ 111  12.78 +/- 0.35   0.149% *  0.0743% (0.20   0.02   0.02) =   0.000%
          HN    LYS+  74 - HN    LYS+ 111  17.60 +/- 0.33   0.022% *  0.2125% (0.57   0.02   0.02) =   0.000%
          HN    ASP-  78 - HN    LYS+ 111  16.46 +/- 0.46   0.033% *  0.0579% (0.15   0.02   0.02) =   0.000%
          HN    MET   11 - HN    LYS+ 111  36.19 +/- 2.27   0.000% *  0.3366% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 2 structures by 0.25 A, kept.
 
    Peak 557 (8.75, 7.58, 125.75 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.04, residual support = 9.1:
        T HN    ALA  110 - HN    LYS+ 111   3.55 +/- 0.17  99.829% * 99.3809% (1.00   3.04   9.10) =  99.999%  kept
          HN    PHE   45 - HN    LYS+ 111  10.37 +/- 0.30   0.171% *  0.6191% (0.95   0.02   0.02) =   0.001%
    Distance limit 4.26 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 = 0.844, support = 0.02, residual support = 0.02:
          QD    PHE   45 - HN    LYS+ 111  11.05 +/- 0.29  52.650% * 58.2608% (1.00   0.02   0.02) =  75.689%  kept
          HE22  GLN  116 - HN    LYS+ 111  12.54 +/- 0.45  25.145% * 19.8732% (0.34   0.02   0.02) =  12.330%  kept
          HD2   HIS  122 - HN    LYS+ 111  12.77 +/- 0.34  22.205% * 21.8659% (0.38   0.02   0.02) =  11.980%  kept
    Distance limit 4.42 A violated in 20 structures by 5.49 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 = 9.1:
      O   HA    ALA  110 - HN    LYS+ 111   2.65 +/- 0.08  99.228% * 95.7620% (0.45   3.04   9.10) =  99.990%  kept
          HA    VAL  107 - HN    LYS+ 111   6.16 +/- 0.30   0.679% *  1.3550% (0.97   0.02   0.26) =   0.010%
          HA    ALA   91 - HN    LYS+ 111  11.41 +/- 1.03   0.021% *  1.2179% (0.87   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LYS+ 111   9.16 +/- 0.66   0.066% *  0.2779% (0.20   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LYS+ 111  13.98 +/- 0.71   0.005% *  0.4789% (0.34   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LYS+ 111  21.87 +/- 0.30   0.000% *  0.9083% (0.65   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 7.09, residual support = 25.5:
      O   HA    LYS+ 111 - HN    LYS+ 112   2.20 +/- 0.01  99.987% * 99.4592% (0.53   7.09  25.46) = 100.000%  kept
          HA    VAL  108 - HN    LYS+ 112   9.84 +/- 0.27   0.013% *  0.3018% (0.57   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    LYS+ 112  16.86 +/- 0.44   0.000% *  0.2390% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 561 (8.17, 8.43, 117.70 ppm):
    5 chemical-shift based assignments, quality = 0.806, support = 4.23, residual support = 21.3:
        T HN    GLU- 114 - HN    ASP- 113   2.69 +/- 0.15  95.449% * 98.7351% (0.81   4.23  21.33) =  99.979%  kept
          HN    GLN  116 - HN    ASP- 113   4.53 +/- 0.09   4.332% *  0.4429% (0.76   0.02   1.50) =   0.020%
          HN    THR  118 - HN    ASP- 113   7.52 +/- 0.10   0.207% *  0.3195% (0.55   0.02   0.02) =   0.001%
          HN    PHE   60 - HN    ASP- 113  12.11 +/- 0.21   0.012% *  0.2030% (0.35   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ASP- 113  23.06 +/- 0.39   0.000% *  0.2995% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 562 (8.43, 8.16, 121.97 ppm):
    1 chemical-shift based assignment, quality = 0.998, support = 4.23, residual support = 21.3:
        T HN    ASP- 113 - HN    GLU- 114   2.69 +/- 0.15 100.000% *100.0000% (1.00   4.23  21.33) = 100.000%  kept
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 563 (4.15, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 3.8, residual support = 39.4:
      O   HA    GLU- 114 - HN    GLU- 114   2.80 +/- 0.03  97.354% * 97.9564% (0.97   3.80  39.38) =  99.992%  kept
          HA    LEU  115 - HN    GLU- 114   5.13 +/- 0.11   2.631% *  0.2813% (0.53   0.02  17.64) =   0.008%
          HA    CYS   53 - HN    GLU- 114  12.23 +/- 0.36   0.014% *  0.1650% (0.31   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU- 114  23.50 +/- 0.66   0.000% *  0.4638% (0.87   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU- 114  26.11 +/- 0.34   0.000% *  0.3673% (0.69   0.02   0.02) =   0.000%
          HA    THR   26 - HN    GLU- 114  29.63 +/- 0.32   0.000% *  0.5058% (0.95   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    GLU- 114  27.13 +/- 0.56   0.000% *  0.2603% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 564 (4.53, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 2.08, residual support = 5.62:
          HA    LYS+ 111 - HN    ASP- 113   3.37 +/- 0.06  99.796% * 99.1593% (0.74   2.08   5.62) =  99.999%  kept
          HA    VAL  108 - HN    ASP- 113  10.19 +/- 0.35   0.134% *  0.2738% (0.21   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ASP- 113  11.44 +/- 0.40   0.067% *  0.3746% (0.29   0.02   0.02) =   0.000%
          HA    ALA   47 - HN    ASP- 113  18.85 +/- 0.41   0.003% *  0.1923% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 3.19, residual support = 13.6:
      O   HA    ASP- 113 - HN    ASP- 113   2.78 +/- 0.04  99.833% * 97.9683% (0.85   3.19  13.57) =  99.999%  kept
          HA    ILE   56 - HN    ASP- 113   8.47 +/- 0.24   0.126% *  0.3732% (0.52   0.02   0.02) =   0.000%
          HA    PHE   59 - HN    ASP- 113  10.34 +/- 0.22   0.038% *  0.3732% (0.52   0.02   0.02) =   0.000%
          HA    LEU  123 - HN    ASP- 113  17.09 +/- 0.29   0.002% *  0.2995% (0.41   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    ASP- 113  23.16 +/- 0.27   0.000% *  0.4927% (0.68   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    ASP- 113  21.05 +/- 0.42   0.001% *  0.0949% (0.13   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ASP- 113  29.14 +/- 0.37   0.000% *  0.3981% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 566 (8.18, 8.40, 122.87 ppm):
    6 chemical-shift based assignments, quality = 0.85, support = 6.63, residual support = 63.2:
        T HN    GLN  116 - HN    LEU  115   2.78 +/- 0.08  38.424% * 68.7900% (0.99   7.61  94.76) =  59.127%  kept
          HN    GLU- 114 - HN    LEU  115   2.58 +/- 0.13  59.275% * 30.8191% (0.65   5.22  17.64) =  40.864%  kept
          HN    THR  118 - HN    LEU  115   4.45 +/- 0.07   2.277% *  0.1726% (0.95   0.02   0.13) =   0.009%
          HN    PHE   60 - HN    LEU  115   9.62 +/- 0.33   0.023% *  0.1394% (0.76   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    LEU  115  19.32 +/- 0.45   0.000% *  0.0507% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    LEU  115  25.38 +/- 0.80   0.000% *  0.0282% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 567 (8.39, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 7.61, residual support = 94.8:
        T HN    LEU  115 - HN    GLN  116   2.78 +/- 0.08  99.992% * 99.6378% (0.98   7.61  94.76) = 100.000%  kept
          HN    PHE   97 - HN    GLN  116  13.45 +/- 0.34   0.008% *  0.2619% (0.98   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    GLN  116  33.22 +/- 1.51   0.000% *  0.1003% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 568 (8.67, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.58, residual support = 28.7:
        T HN    SER  117 - HN    GLN  116   2.82 +/- 0.11  99.999% * 99.6304% (0.97   5.58  28.71) = 100.000%  kept
          HN    GLY   16 - HN    GLN  116  21.78 +/- 0.38   0.000% *  0.2963% (0.80   0.02   0.02) =   0.000%
          HN    SER   82 - HN    GLN  116  27.16 +/- 0.46   0.000% *  0.0732% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 569 (8.18, 8.66, 115.11 ppm):
    6 chemical-shift based assignments, quality = 0.969, support = 4.33, residual support = 17.4:
        T HN    GLN  116 - HN    SER  117   2.82 +/- 0.11  35.030% * 65.9028% (0.99   5.58  28.71) =  51.931%  kept
        T HN    THR  118 - HN    SER  117   2.55 +/- 0.10  63.481% * 33.6578% (0.95   2.99   5.19) =  48.064%  kept
          HN    GLU- 114 - HN    SER  117   4.78 +/- 0.14   1.482% *  0.1542% (0.65   0.02   0.83) =   0.005%
        T HN    PHE   60 - HN    SER  117  11.77 +/- 0.27   0.007% *  0.1822% (0.76   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    SER  117  19.59 +/- 0.44   0.000% *  0.0663% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  15 - HN    SER  117  26.28 +/- 0.57   0.000% *  0.0368% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 570 (6.84, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 1.92, residual support = 112.2:
      O   HE22  GLN  116 - HE21  GLN  116   1.73 +/- 0.00  99.994% * 98.0923% (0.95   1.92 112.17) = 100.000%  kept
          HD2   HIS  122 - HE21  GLN  116   8.98 +/- 0.72   0.006% *  1.0406% (0.96   0.02   0.02) =   0.000%
          QD    PHE   45 - HE21  GLN  116  17.44 +/- 0.84   0.000% *  0.5673% (0.53   0.02   0.02) =   0.000%
          HE22  GLN   17 - HE21  GLN  116  23.34 +/- 2.18   0.000% *  0.2998% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 571 (7.42, 6.83, 111.00 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 1.92, residual support = 112.2:
      O T HE21  GLN  116 - HE22  GLN  116   1.73 +/- 0.00  99.896% * 97.4371% (0.90   1.92 112.17) =  99.999%  kept
          HN    ALA  120 - HE22  GLN  116   5.76 +/- 0.55   0.102% *  1.1073% (0.98   0.02   0.02) =   0.001%
          HN    ALA   57 - HE22  GLN  116  12.46 +/- 1.16   0.001% *  0.9436% (0.84   0.02   0.02) =   0.000%
          HN    ALA  124 - HE22  GLN  116  11.55 +/- 0.68   0.001% *  0.1978% (0.18   0.02   0.02) =   0.000%
          HE21  GLN   90 - HE22  GLN  116  26.66 +/- 2.47   0.000% *  0.3141% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 572 (4.37, 8.17, 116.99 ppm):
    7 chemical-shift based assignments, quality = 0.997, support = 0.749, residual support = 1.5:
          HA    ASP- 113 - HN    GLN  116   3.85 +/- 0.20  95.861% * 91.8913% (1.00   0.75   1.50) =  99.930%  kept
          HA    PHE   59 - HN    GLN  116   7.11 +/- 0.20   2.494% *  1.4896% (0.61   0.02   0.02) =   0.042%
          HA    ILE   56 - HN    GLN  116   7.68 +/- 0.23   1.555% *  1.4896% (0.61   0.02   0.02) =   0.026%
          HA    LEU  123 - HN    GLN  116  12.61 +/- 0.30   0.080% *  1.1954% (0.49   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLN  116  19.94 +/- 0.38   0.005% *  1.9665% (0.80   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLN  116  20.47 +/- 0.51   0.004% *  0.3789% (0.15   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLN  116  26.17 +/- 0.47   0.001% *  1.5887% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 573 (4.01, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 7.0, residual support = 112.2:
      O   HA    GLN  116 - HN    GLN  116   2.73 +/- 0.03  99.997% * 98.6413% (1.00   7.00 112.17) = 100.000%  kept
          HA    VAL   70 - HN    GLN  116  19.10 +/- 0.46   0.001% *  0.2818% (1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLN  116  18.06 +/- 0.26   0.001% *  0.1936% (0.69   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    GLN  116  20.51 +/- 0.42   0.001% *  0.0558% (0.20   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN  116  22.12 +/- 0.24   0.000% *  0.0703% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    GLN  116  28.71 +/- 0.41   0.000% *  0.2445% (0.87   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN  116  26.24 +/- 0.61   0.000% *  0.1372% (0.49   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN  116  28.84 +/- 0.49   0.000% *  0.1709% (0.61   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    GLN  116  29.91 +/- 0.35   0.000% *  0.2046% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 574 (4.13, 8.40, 122.87 ppm):
    9 chemical-shift based assignments, quality = 0.967, support = 7.33, residual support = 210.3:
      O   HA    LEU  115 - HN    LEU  115   2.78 +/- 0.03  82.285% * 68.8683% (1.00   7.54 228.53) =  91.345%  kept
      O   HA    GLU- 114 - HN    LEU  115   3.59 +/- 0.03  17.707% * 30.3250% (0.65   5.12  17.64) =   8.655%  kept
          HA    ARG+  54 - HN    LEU  115  13.63 +/- 0.34   0.006% *  0.1185% (0.65   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU  115  17.51 +/- 0.32   0.001% *  0.0964% (0.53   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU  115  22.18 +/- 0.67   0.000% *  0.1467% (0.80   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU  115  23.99 +/- 0.41   0.000% *  0.1733% (0.95   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LEU  115  25.32 +/- 0.63   0.000% *  0.1832% (1.00   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    LEU  115  21.83 +/- 0.56   0.000% *  0.0321% (0.18   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU  115  27.59 +/- 0.39   0.000% *  0.0565% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 575 (4.22, 8.66, 115.11 ppm):
    4 chemical-shift based assignments, quality = 0.375, support = 3.53, residual support = 16.5:
      O   HA    SER  117 - HN    SER  117   2.80 +/- 0.03  99.993% * 96.8469% (0.38   3.53  16.47) = 100.000%  kept
          HA    ASP-  62 - HN    SER  117  13.88 +/- 0.43   0.007% *  1.3818% (0.95   0.02   0.02) =   0.000%
          HB    THR   26 - HN    SER  117  29.28 +/- 0.40   0.000% *  1.1163% (0.76   0.02   0.02) =   0.000%
          HA    SER   82 - HN    SER  117  28.21 +/- 0.59   0.000% *  0.6549% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 576 (7.91, 7.43, 118.69 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.85, residual support = 48.6:
        T HN    ILE  119 - HN    ALA  120   2.74 +/- 0.06  99.999% * 99.0899% (0.83   5.85  48.62) = 100.000%  kept
          HN    ILE   89 - HN    ALA  120  21.74 +/- 0.41   0.000% *  0.3766% (0.92   0.02   0.02) =   0.000%
          HN    SER   37 - HN    ALA  120  24.39 +/- 0.50   0.000% *  0.3642% (0.89   0.02   0.02) =   0.000%
        T HN    CYS   21 - HN    ALA  120  22.65 +/- 0.33   0.000% *  0.1692% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 577 (7.23, 7.51, 116.39 ppm):
    4 chemical-shift based assignments, quality = 0.802, support = 6.66, residual support = 50.0:
          HN    HIS  122 - HN    LYS+ 121   2.67 +/- 0.08  99.581% * 99.4481% (0.80   6.66  50.01) = 100.000%  kept
          QE    PHE   59 - HN    LYS+ 121   6.74 +/- 0.28   0.406% *  0.0745% (0.20   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LYS+ 121  12.20 +/- 0.47   0.012% *  0.1812% (0.49   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LYS+ 121  18.66 +/- 0.54   0.001% *  0.2962% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 578 (7.47, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.257, support = 5.63, residual support = 31.4:
          HN    LEU  123 - HN    HIS  122   2.46 +/- 0.13  99.778% * 99.5622% (0.26   5.63  31.39) = 100.000%  kept
          HN    ALA  124 - HN    HIS  122   6.83 +/- 0.13   0.222% *  0.1214% (0.09   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    HIS  122  20.59 +/- 1.05   0.000% *  0.1661% (0.12   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HN    HIS  122  23.56 +/- 0.65   0.000% *  0.1503% (0.11   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 579 (7.24, 7.46, 121.46 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.63, residual support = 31.4:
          HN    HIS  122 - HN    LEU  123   2.46 +/- 0.13  99.948% * 99.0979% (0.87   5.63  31.39) = 100.000%  kept
          QE    PHE   59 - HN    LEU  123   8.85 +/- 0.40   0.048% *  0.2134% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    LEU  123  13.41 +/- 0.61   0.004% *  0.3638% (0.90   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    LEU  123  19.77 +/- 0.75   0.000% *  0.3249% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 580 (4.38, 7.45, 128.80 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 4.49, residual support = 14.7:
      O   HA    LEU  123 - HN    ALA  124   2.30 +/- 0.03  99.996% * 97.8704% (1.00   4.49  14.75) = 100.000%  kept
          HA    LYS+  99 - HN    ALA  124  16.81 +/- 0.80   0.001% *  0.3914% (0.90   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    ALA  124  15.68 +/- 0.93   0.001% *  0.2124% (0.49   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    ALA  124  18.44 +/- 0.42   0.000% *  0.4326% (0.99   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    ALA  124  17.06 +/- 0.42   0.001% *  0.2471% (0.57   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    ALA  124  16.82 +/- 0.63   0.001% *  0.1489% (0.34   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    ALA  124  23.14 +/- 1.05   0.000% *  0.4278% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    ALA  124  20.29 +/- 0.92   0.000% *  0.1347% (0.31   0.02   0.02) =   0.000%
          HA    SER   13 - HN    ALA  124  25.90 +/- 1.55   0.000% *  0.1347% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 581 (4.11, 7.45, 128.80 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 1.89, residual support = 9.48:
      O   HA    ALA  124 - HN    ALA  124   2.66 +/- 0.23  99.994% * 96.0616% (1.00   1.89   9.48) = 100.000%  kept
          HA    LEU  115 - HN    ALA  124  14.34 +/- 0.29   0.004% *  0.4561% (0.45   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA  124  23.95 +/- 0.53   0.000% *  0.9817% (0.97   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ALA  124  20.72 +/- 0.97   0.001% *  0.3140% (0.31   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    ALA  124  25.33 +/- 1.14   0.000% *  0.6988% (0.69   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ALA  124  21.88 +/- 0.78   0.000% *  0.1782% (0.18   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ALA  124  27.99 +/- 0.84   0.000% *  0.4952% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA  124  32.23 +/- 0.55   0.000% *  0.8146% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 582 (4.88, 7.46, 121.46 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.36, residual support = 31.4:
      O   HA    HIS  122 - HN    LEU  123   3.35 +/- 0.12  99.982% * 99.4070% (1.00   4.36  31.39) = 100.000%  kept
          HA    VAL   41 - HN    LEU  123  14.71 +/- 0.59   0.015% *  0.3654% (0.80   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    LEU  123  20.48 +/- 0.50   0.002% *  0.1138% (0.25   0.02   0.02) =   0.000%
          HA    MET   92 - HN    LEU  123  23.15 +/- 0.40   0.001% *  0.1138% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 583 (4.38, 7.46, 121.46 ppm):
    9 chemical-shift based assignments, quality = 0.998, support = 5.95, residual support = 193.9:
      O   HA    LEU  123 - HN    LEU  123   2.88 +/- 0.06  99.962% * 98.3820% (1.00   5.95 193.86) = 100.000%  kept
          HA    LYS+  99 - HN    LEU  123  14.56 +/- 0.70   0.006% *  0.2974% (0.90   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    LEU  123  13.51 +/- 0.37   0.010% *  0.1877% (0.57   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    LEU  123  15.15 +/- 0.49   0.005% *  0.3287% (0.99   0.02   0.02) =   0.000%
          HA    LEU   40 - HN    LEU  123  13.66 +/- 0.77   0.009% *  0.1614% (0.49   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    LEU  123  14.80 +/- 0.69   0.006% *  0.1131% (0.34   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    LEU  123  21.39 +/- 0.85   0.001% *  0.3250% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  15 - HN    LEU  123  19.87 +/- 0.81   0.001% *  0.1023% (0.31   0.02   0.02) =   0.000%
          HA    SER   13 - HN    LEU  123  25.99 +/- 1.18   0.000% *  0.1023% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (6.81, 7.24, 114.00 ppm):
    5 chemical-shift based assignments, quality = 0.109, support = 6.33, residual support = 67.4:
          HD2   HIS  122 - HN    HIS  122   2.48 +/- 0.24  99.963% * 97.0660% (0.11   6.33  67.44) = 100.000%  kept
          HE22  GLN  116 - HN    HIS  122   9.63 +/- 0.58   0.036% *  0.3389% (0.12   0.02   0.02) =   0.000%
          HE22  GLN   17 - HN    HIS  122  21.86 +/- 0.84   0.000% *  0.9739% (0.35   0.02   0.02) =   0.000%
          HE22  GLN   90 - HN    HIS  122  25.39 +/- 2.31   0.000% *  0.7593% (0.27   0.02   0.02) =   0.000%
          HE22  GLN   32 - HN    HIS  122  28.03 +/- 1.07   0.000% *  0.8619% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 585 (4.88, 7.24, 114.00 ppm):
    3 chemical-shift based assignments, quality = 0.295, support = 5.03, residual support = 67.4:
      O   HA    HIS  122 - HN    HIS  122   2.88 +/- 0.03  99.987% * 99.2614% (0.30   5.03  67.44) = 100.000%  kept
          HA    VAL   41 - HN    HIS  122  13.12 +/- 0.38   0.011% *  0.4712% (0.35   0.02   0.02) =   0.000%
          HA    PHE   45 - HN    HIS  122  18.36 +/- 0.24   0.001% *  0.2674% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 588 (3.95, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.542, support = 5.77, residual support = 247.0:
      O   HA    LYS+ 121 - HN    LYS+ 121   2.79 +/- 0.02  79.031% * 49.6033% (0.49   6.24 306.29) =  80.474%  kept
      O   HA    ALA  120 - HN    LYS+ 121   3.53 +/- 0.02  19.450% * 48.8966% (0.77   3.86   2.59) =  19.523%  kept
          QB    SER  117 - HN    LYS+ 121   5.45 +/- 0.30   1.512% *  0.0729% (0.22   0.02   0.02) =   0.002%
          HA    LYS+  65 - HN    LYS+ 121  15.32 +/- 0.44   0.003% *  0.2353% (0.72   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+ 121  16.38 +/- 0.24   0.002% *  0.1802% (0.55   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LYS+ 121  19.25 +/- 0.65   0.001% *  0.2482% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+ 121  23.94 +/- 0.49   0.000% *  0.2482% (0.76   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+ 121  25.13 +/- 0.31   0.000% *  0.2101% (0.64   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+ 121  21.60 +/- 0.39   0.000% *  0.0810% (0.25   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+ 121  23.74 +/- 0.34   0.000% *  0.1380% (0.42   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+ 121  22.20 +/- 0.79   0.000% *  0.0405% (0.12   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+ 121  25.54 +/- 0.48   0.000% *  0.0459% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 589 (3.96, 7.43, 118.69 ppm):
    13 chemical-shift based assignments, quality = 0.739, support = 3.58, residual support = 12.6:
      O   HA    ALA  120 - HN    ALA  120   2.76 +/- 0.05  95.580% * 95.8869% (0.74   3.59  12.58) =  99.992%  kept
          HA    LYS+ 121 - HN    ALA  120   5.19 +/- 0.14   2.215% *  0.2507% (0.35   0.02   2.59) =   0.006%
          QB    SER  117 - HN    ALA  120   5.19 +/- 0.11   2.196% *  0.0904% (0.12   0.02   5.97) =   0.002%
          HA    LYS+  65 - HN    ALA  120  14.68 +/- 0.45   0.004% *  0.6665% (0.92   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA  120  16.55 +/- 0.30   0.002% *  0.2995% (0.41   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ALA  120  19.21 +/- 0.52   0.001% *  0.6665% (0.92   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA  120  20.39 +/- 0.45   0.001% *  0.3515% (0.49   0.02   0.02) =   0.000%
          QB    SER   85 - HN    ALA  120  24.53 +/- 0.52   0.000% *  0.6665% (0.92   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA  120  24.44 +/- 0.37   0.000% *  0.3782% (0.52   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA  120  22.18 +/- 0.44   0.000% *  0.2062% (0.28   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA  120  23.01 +/- 0.77   0.000% *  0.2062% (0.28   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA  120  27.04 +/- 0.43   0.000% *  0.2279% (0.31   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA  120  25.62 +/- 0.36   0.000% *  0.1031% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 14.7:
          HB2   LEU  123 - HN    ALA  124   3.98 +/- 0.26  99.243% * 96.5126% (0.76   4.58  14.75) =  99.997%  kept
          HB2   LYS+ 121 - HN    ALA  124   9.28 +/- 0.32   0.666% *  0.4002% (0.73   0.02   0.02) =   0.003%
          QD    LYS+  65 - HN    ALA  124  13.90 +/- 0.69   0.061% *  0.4212% (0.76   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA  124  19.61 +/- 1.07   0.008% *  0.5214% (0.95   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA  124  19.99 +/- 1.14   0.007% *  0.5214% (0.95   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA  124  22.02 +/- 0.95   0.004% *  0.2683% (0.49   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA  124  23.84 +/- 0.49   0.002% *  0.4413% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ALA  124  21.87 +/- 0.76   0.004% *  0.1374% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ALA  124  22.25 +/- 0.67   0.004% *  0.1091% (0.20   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA  124  25.69 +/- 0.56   0.001% *  0.2069% (0.38   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA  124  30.14 +/- 0.65   0.001% *  0.4604% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.04 A, kept.
 
    Peak 593 (1.36, 7.45, 128.80 ppm):
    16 chemical-shift based assignments, quality = 0.647, support = 1.89, residual support = 9.48:
      O   QB    ALA  124 - HN    ALA  124   2.23 +/- 0.33  99.990% * 87.6790% (0.65   1.89   9.48) = 100.000%  kept
          HB2   LEU   63 - HN    ALA  124  12.62 +/- 0.57   0.005% *  0.5375% (0.38   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA  124  14.84 +/- 0.83   0.002% *  0.8108% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA  124  15.49 +/- 0.58   0.001% *  0.8108% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA  124  18.08 +/- 0.53   0.001% *  1.2422% (0.87   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA  124  19.30 +/- 0.46   0.000% *  1.0945% (0.76   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA  124  19.91 +/- 1.05   0.000% *  1.0945% (0.76   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA  124  18.56 +/- 0.73   0.000% *  0.6971% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA  124  21.69 +/- 0.43   0.000% *  1.2844% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA  124  21.63 +/- 1.13   0.000% *  0.9837% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA  124  22.59 +/- 0.71   0.000% *  0.9264% (0.65   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA  124  24.40 +/- 0.50   0.000% *  1.2422% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA  124  23.51 +/- 1.78   0.000% *  0.6971% (0.49   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA  124  23.91 +/- 1.58   0.000% *  0.2508% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA  124  26.42 +/- 0.81   0.000% *  0.2508% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA  124  30.27 +/- 1.22   0.000% *  0.3982% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 594 (3.95, 7.46, 121.46 ppm):
    10 chemical-shift based assignments, quality = 0.971, support = 3.89, residual support = 23.6:
          HA    ALA  120 - HN    LEU  123   3.13 +/- 0.15  73.081% * 70.2737% (0.99   4.17  26.62) =  87.331%  kept
          HA    LYS+ 121 - HN    LEU  123   3.81 +/- 0.46  26.738% * 27.8613% (0.84   1.96   2.42) =  12.668%  kept
          QB    SER  117 - HN    LEU  123   8.64 +/- 0.28   0.165% *  0.1656% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    LEU  123  13.61 +/- 0.63   0.011% *  0.2337% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    LEU  123  17.28 +/- 0.94   0.003% *  0.2600% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LEU  123  18.87 +/- 0.44   0.002% *  0.3051% (0.90   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU  123  25.70 +/- 0.48   0.000% *  0.2600% (0.76   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU  123  26.74 +/- 0.46   0.000% *  0.3283% (0.97   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LEU  123  25.96 +/- 0.57   0.000% *  0.2600% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU  123  23.82 +/- 0.49   0.000% *  0.0525% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 595 (2.76, 7.46, 121.46 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 4.84, residual support = 31.4:
          HB3   HIS  122 - HN    LEU  123   3.78 +/- 0.41  96.021% * 99.3111% (0.99   4.84  31.39) =  99.987%  kept
          QE    LYS+ 121 - HN    LEU  123   6.87 +/- 0.75   3.976% *  0.3163% (0.76   0.02   2.42) =   0.013%
          HG2   GLN   30 - HN    LEU  123  24.05 +/- 0.75   0.002% *  0.1151% (0.28   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HN    LEU  123  29.21 +/- 0.69   0.001% *  0.2015% (0.49   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LEU  123  27.95 +/- 0.77   0.001% *  0.0560% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (1.85, 7.46, 121.46 ppm):
    14 chemical-shift based assignments, quality = 0.764, support = 5.52, residual support = 193.8:
          HG    LEU  123 - HN    LEU  123   3.53 +/- 0.18  96.755% * 96.6345% (0.76   5.52 193.86) =  99.994%  kept
          QB    LYS+  66 - HN    LEU  123   6.90 +/- 0.66   2.412% *  0.0907% (0.20   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HN    LEU  123   8.97 +/- 0.42   0.403% *  0.3504% (0.76   0.02   0.02) =   0.002%
          HG3   PRO   68 - HN    LEU  123  11.08 +/- 2.52   0.349% *  0.3977% (0.87   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    LEU  123  13.36 +/- 0.35   0.036% *  0.2055% (0.45   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU  123  16.59 +/- 0.65   0.010% *  0.3829% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU  123  16.63 +/- 0.89   0.010% *  0.2231% (0.49   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU  123  16.51 +/- 0.66   0.010% *  0.1564% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU  123  20.77 +/- 0.70   0.003% *  0.2966% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  123  22.54 +/- 0.70   0.002% *  0.3504% (0.76   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU  123  17.04 +/- 0.47   0.008% *  0.0620% (0.14   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU  123  23.11 +/- 1.09   0.001% *  0.3671% (0.80   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU  123  26.74 +/- 0.86   0.001% *  0.2596% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU  123  27.55 +/- 0.54   0.000% *  0.2231% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 2 structures by 0.06 A, kept.
 
    Peak 597 (1.67, 7.46, 121.46 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 5.85, residual support = 193.8:
      O   HB2   LEU  123 - HN    LEU  123   2.49 +/- 0.35  97.883% * 97.2459% (0.76   5.85 193.86) =  99.993%  kept
          HB2   LYS+ 121 - HN    LEU  123   4.91 +/- 0.27   2.106% *  0.3161% (0.73   0.02   2.42) =   0.007%
          QD    LYS+  65 - HN    LEU  123  13.93 +/- 0.64   0.005% *  0.3326% (0.76   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU  123  17.04 +/- 0.99   0.001% *  0.4117% (0.95   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU  123  19.25 +/- 0.89   0.001% *  0.4117% (0.95   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU  123  17.97 +/- 0.88   0.001% *  0.2119% (0.49   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU  123  20.05 +/- 0.49   0.001% *  0.3485% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    LEU  123  19.15 +/- 0.65   0.001% *  0.1085% (0.25   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU  123  21.54 +/- 0.68   0.000% *  0.1634% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LEU  123  19.31 +/- 0.59   0.001% *  0.0861% (0.20   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LEU  123  26.65 +/- 0.57   0.000% *  0.3636% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 1 structures by 0.04 A, kept.
 
    Peak 598 (0.85, 7.46, 121.46 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 6.39, residual support = 193.9:
          QD1   LEU  123 - HN    LEU  123   2.39 +/- 0.17  96.788% * 98.8096% (0.90   6.39 193.86) =  99.998%  kept
          QD2   LEU  123 - HN    LEU  123   4.29 +/- 0.05   3.059% *  0.0532% (0.15   0.02 193.86) =   0.002%
          QG1   VAL   70 - HN    LEU  123   8.16 +/- 0.63   0.077% *  0.2370% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    LEU  123   9.69 +/- 0.63   0.027% *  0.3420% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    LEU  123   9.09 +/- 0.76   0.045% *  0.0532% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU  123  15.86 +/- 0.73   0.001% *  0.3095% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    LEU  123  15.24 +/- 0.84   0.002% *  0.1954% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.252, support = 6.42, residual support = 31.4:
      O   HA    LYS+ 121 - HN    HIS  122   3.58 +/- 0.04  67.261% * 42.3663% (0.20   6.97  50.01) =  61.225%  kept
          HA    ALA  120 - HN    HIS  122   4.08 +/- 0.29  31.993% * 56.4063% (0.33   5.55   2.12) =  38.774%  kept
          QB    SER  117 - HN    HIS  122   7.70 +/- 0.22   0.702% *  0.0536% (0.09   0.02   0.02) =   0.001%
          HA    LYS+  65 - HN    HIS  122  13.42 +/- 0.56   0.025% *  0.1983% (0.33   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    HIS  122  16.97 +/- 0.76   0.006% *  0.2073% (0.34   0.02   0.02) =   0.000%
          HB    THR   94 - HN    HIS  122  16.57 +/- 0.35   0.007% *  0.1389% (0.23   0.02   0.02) =   0.000%
          QB    SER   85 - HN    HIS  122  23.86 +/- 0.52   0.001% *  0.2073% (0.34   0.02   0.02) =   0.000%
          QB    SER   48 - HN    HIS  122  25.02 +/- 0.23   0.001% *  0.1641% (0.27   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    HIS  122  22.04 +/- 0.26   0.001% *  0.0733% (0.12   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    HIS  122  24.17 +/- 0.25   0.001% *  0.1045% (0.17   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    HIS  122  22.45 +/- 0.83   0.001% *  0.0376% (0.06   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    HIS  122  23.64 +/- 0.63   0.001% *  0.0425% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 602 (3.70, 7.24, 114.00 ppm):
    7 chemical-shift based assignments, quality = 0.265, support = 3.43, residual support = 10.1:
          HA    ILE  119 - HN    HIS  122   3.37 +/- 0.24  90.232% * 53.9226% (0.27   3.42  10.82) =  91.711%  kept
          HA    THR  118 - HN    HIS  122   4.99 +/- 0.21   9.743% * 45.1334% (0.21   3.60   2.28) =   8.289%  kept
          HD3   PRO   58 - HN    HIS  122  14.35 +/- 0.39   0.016% *  0.1148% (0.10   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    HIS  122  17.36 +/- 0.34   0.005% *  0.1274% (0.11   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    HIS  122  21.33 +/- 0.26   0.001% *  0.2172% (0.19   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    HIS  122  21.72 +/- 0.47   0.001% *  0.2010% (0.17   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    HIS  122  27.07 +/- 0.18   0.000% *  0.2836% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 603 (3.47, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.109, support = 5.15, residual support = 67.4:
      O   HB2   HIS  122 - HN    HIS  122   3.60 +/- 0.04  98.354% * 98.4308% (0.11   5.15  67.44) =  99.996%  kept
          HA    LEU   63 - HN    HIS  122   7.30 +/- 0.54   1.583% *  0.2168% (0.06   0.02   0.02) =   0.004%
          HA    LYS+ 112 - HN    HIS  122  12.34 +/- 0.31   0.062% *  0.7010% (0.20   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    HIS  122  28.19 +/- 0.36   0.000% *  0.6514% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 604 (2.76, 7.24, 114.00 ppm):
    4 chemical-shift based assignments, quality = 0.326, support = 5.89, residual support = 67.4:
      O   HB3   HIS  122 - HN    HIS  122   2.60 +/- 0.12  99.315% * 99.4773% (0.33   5.89  67.44) =  99.998%  kept
          QE    LYS+ 121 - HN    HIS  122   6.04 +/- 0.38   0.684% *  0.2219% (0.21   0.02  50.01) =   0.002%
          HB3   ASP-  78 - HN    HIS  122  27.15 +/- 0.51   0.000% *  0.2367% (0.23   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    HIS  122  22.46 +/- 0.51   0.000% *  0.0641% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 0.326, support = 7.17, residual support = 49.1:
          HB2   LYS+ 121 - HN    HIS  122   3.14 +/- 0.33  87.957% * 71.8353% (0.33   7.26  50.01) =  95.117%  kept
          HB2   LEU  123 - HN    HIS  122   4.60 +/- 0.46  11.994% * 27.0429% (0.17   5.31  31.39) =   4.883%  kept
          QD    LYS+  65 - HN    HIS  122  13.88 +/- 0.54   0.014% *  0.2018% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    HIS  122  15.65 +/- 0.87   0.006% *  0.1519% (0.26   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    HIS  122  18.47 +/- 0.71   0.002% *  0.2073% (0.35   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    HIS  122  14.58 +/- 0.32   0.010% *  0.0366% (0.06   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    HIS  122  17.50 +/- 0.67   0.003% *  0.0860% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    HIS  122  18.19 +/- 0.24   0.003% *  0.1100% (0.19   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    HIS  122  16.48 +/- 0.81   0.005% *  0.0521% (0.09   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    HIS  122  16.97 +/- 0.44   0.004% *  0.0323% (0.05   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    HIS  122  24.42 +/- 0.45   0.000% *  0.2073% (0.35   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    HIS  122  19.46 +/- 0.61   0.002% *  0.0366% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 606 (1.52, 7.24, 114.00 ppm):
    9 chemical-shift based assignments, quality = 0.339, support = 6.48, residual support = 50.0:
          HB3   LYS+ 121 - HN    HIS  122   3.35 +/- 0.18  92.013% * 68.7598% (0.35   6.47  50.01) =  96.519%  kept
          HD2   LYS+ 121 - HN    HIS  122   5.33 +/- 0.56   7.537% * 30.2649% (0.15   6.79  50.01) =   3.480%  kept
          QD    LYS+  66 - HN    HIS  122   9.24 +/- 1.04   0.282% *  0.1736% (0.28   0.02   0.02) =   0.001%
          HG    LEU  104 - HN    HIS  122  10.13 +/- 0.62   0.128% *  0.2125% (0.35   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    HIS  122  14.16 +/- 0.31   0.017% *  0.2002% (0.33   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    HIS  122  14.41 +/- 0.58   0.016% *  0.0740% (0.12   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    HIS  122  18.01 +/- 0.70   0.004% *  0.1945% (0.32   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    HIS  122  20.18 +/- 0.51   0.002% *  0.0603% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    HIS  122  20.81 +/- 1.43   0.002% *  0.0603% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 31.4:
          QD1   LEU  123 - HN    HIS  122   3.06 +/- 0.44  98.216% * 98.4632% (0.31   6.21  31.39) =  99.995%  kept
          QG1   VAL   70 - HN    HIS  122   7.52 +/- 0.46   0.642% *  0.3623% (0.35   0.02   0.02) =   0.002%
          HB3   LEU   63 - HN    HIS  122   7.72 +/- 0.66   0.503% *  0.2364% (0.23   0.02   0.02) =   0.001%
          HB3   LEU  104 - HN    HIS  122   8.00 +/- 0.63   0.602% *  0.1923% (0.19   0.02   0.02) =   0.001%
          QG1   VAL   18 - HN    HIS  122  14.02 +/- 0.74   0.014% *  0.3647% (0.35   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    HIS  122  14.84 +/- 0.65   0.011% *  0.3171% (0.31   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    HIS  122  14.62 +/- 0.39   0.012% *  0.0640% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 0.545, support = 2.41, residual support = 4.59:
          HA    THR  118 - HN    LYS+ 121   3.37 +/- 0.18  67.340% * 35.0461% (0.49   2.00   6.92) =  53.190%  kept
          HA    ILE  119 - HN    LYS+ 121   3.83 +/- 0.10  32.640% * 63.6303% (0.61   2.88   1.94) =  46.810%  kept
          HD3   PRO   58 - HN    LYS+ 121  14.12 +/- 0.45   0.013% *  0.1610% (0.22   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    LYS+ 121  16.14 +/- 0.33   0.006% *  0.1787% (0.25   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    LYS+ 121  22.29 +/- 0.19   0.001% *  0.3046% (0.42   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    LYS+ 121  22.09 +/- 0.35   0.001% *  0.2818% (0.39   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    LYS+ 121  26.72 +/- 0.34   0.000% *  0.3977% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 609 (1.66, 7.51, 116.39 ppm):
    12 chemical-shift based assignments, quality = 0.758, support = 6.73, residual support = 306.3:
      O   HB2   LYS+ 121 - HN    LYS+ 121   2.58 +/- 0.52  96.163% * 98.1962% (0.76   6.73 306.29) =  99.994%  kept
          HB2   LEU  123 - HN    LYS+ 121   5.00 +/- 0.73   3.812% *  0.1501% (0.39   0.02   2.42) =   0.006%
          QD    LYS+  65 - HN    LYS+ 121  15.31 +/- 0.53   0.003% *  0.2975% (0.77   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+ 121  16.19 +/- 0.83   0.003% *  0.2239% (0.58   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+ 121  14.55 +/- 0.85   0.005% *  0.0769% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+ 121  17.62 +/- 0.28   0.001% *  0.1622% (0.42   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    LYS+ 121  14.70 +/- 0.34   0.004% *  0.0540% (0.14   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LYS+ 121  20.28 +/- 0.59   0.001% *  0.3055% (0.79   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    LYS+ 121  15.02 +/- 0.44   0.004% *  0.0476% (0.12   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    LYS+ 121  18.38 +/- 0.65   0.001% *  0.1267% (0.33   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+ 121  18.68 +/- 0.75   0.001% *  0.0540% (0.14   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    LYS+ 121  25.16 +/- 0.36   0.000% *  0.3055% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.02 A, kept.
 
    Peak 610 (1.50, 7.51, 116.39 ppm):
    8 chemical-shift based assignments, quality = 0.403, support = 4.21, residual support = 133.4:
          QB    ALA  120 - HN    LYS+ 121   2.94 +/- 0.06  88.218% * 14.6052% (0.22   2.94   2.59) =  56.935%  kept
          HD2   LYS+ 121 - HN    LYS+ 121   4.40 +/- 0.64  11.605% * 83.9797% (0.64   5.88 306.29) =  43.064%  kept
          HG    LEU  115 - HN    LYS+ 121   8.97 +/- 0.31   0.111% *  0.0992% (0.22   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+ 121  10.63 +/- 0.97   0.047% *  0.1467% (0.33   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LYS+ 121  12.56 +/- 0.51   0.015% *  0.1737% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 121  16.02 +/- 0.53   0.003% *  0.3096% (0.70   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+ 121  19.34 +/- 0.81   0.001% *  0.3562% (0.80   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 121  21.49 +/- 0.47   0.001% *  0.3295% (0.74   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.02 A, kept.
 
    Peak 611 (1.15, 7.51, 116.39 ppm):
    6 chemical-shift based assignments, quality = 0.774, support = 5.82, residual support = 306.3:
          HG2   LYS+ 121 - HN    LYS+ 121   3.83 +/- 0.10  92.725% * 99.0626% (0.77   5.82 306.29) =  99.992%  kept
          HG13  ILE  119 - HN    LYS+ 121   6.04 +/- 0.24   6.324% *  0.0698% (0.16   0.02   1.94) =   0.005%
          QG2   VAL  107 - HN    LYS+ 121   8.31 +/- 0.20   0.905% *  0.3496% (0.79   0.02   0.02) =   0.003%
          HG13  ILE  103 - HN    LYS+ 121  14.07 +/- 0.60   0.039% *  0.2282% (0.52   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    LYS+ 121  20.10 +/- 0.37   0.004% *  0.2282% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LYS+ 121  22.64 +/- 0.45   0.002% *  0.0618% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 2.42:
          QD1   LEU  123 - HN    LYS+ 121   4.28 +/- 0.10  87.765% * 96.6305% (0.72   2.21   2.42) =  99.962%  kept
          QD2   LEU  123 - HN    LYS+ 121   6.25 +/- 0.19   9.385% *  0.1507% (0.12   0.02   2.42) =   0.017%
          HB3   LEU  104 - HN    LYS+ 121   8.89 +/- 0.46   1.172% *  0.9681% (0.79   0.02   0.02) =   0.013%
          QG1   VAL   70 - HN    LYS+ 121   9.66 +/- 0.44   0.708% *  0.6709% (0.55   0.02   0.02) =   0.006%
          HB3   LEU   63 - HN    LYS+ 121   9.34 +/- 0.64   0.897% *  0.1507% (0.12   0.02   0.02) =   0.002%
          QG1   VAL   18 - HN    LYS+ 121  15.16 +/- 0.67   0.047% *  0.5530% (0.45   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LYS+ 121  16.69 +/- 0.62   0.026% *  0.8760% (0.72   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.15 A, kept.
 
    Peak 613 (2.04, 7.43, 118.69 ppm):
    11 chemical-shift based assignments, quality = 0.905, support = 5.12, residual support = 48.6:
          HB    ILE  119 - HN    ALA  120   2.60 +/- 0.15  99.974% * 97.5168% (0.90   5.12  48.62) = 100.000%  kept
          HB2   LYS+ 111 - HN    ALA  120  11.42 +/- 0.36   0.016% *  0.1200% (0.28   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA  120  14.71 +/- 0.55   0.003% *  0.3248% (0.77   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ALA  120  15.77 +/- 1.92   0.003% *  0.2359% (0.56   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA  120  16.12 +/- 0.44   0.002% *  0.1743% (0.41   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA  120  18.92 +/- 0.66   0.001% *  0.2972% (0.71   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ALA  120  21.56 +/- 0.64   0.000% *  0.3880% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ALA  120  22.90 +/- 0.35   0.000% *  0.3812% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ALA  120  19.65 +/- 0.62   0.001% *  0.0970% (0.23   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ALA  120  24.70 +/- 0.58   0.000% *  0.3679% (0.87   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ALA  120  19.85 +/- 0.71   0.001% *  0.0970% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 614 (1.49, 7.43, 118.69 ppm):
    9 chemical-shift based assignments, quality = 0.486, support = 3.5, residual support = 12.6:
      O   QB    ALA  120 - HN    ALA  120   2.10 +/- 0.07  99.782% * 95.4496% (0.49   3.50  12.58) =  99.999%  kept
          HD2   LYS+ 121 - HN    ALA  120   6.73 +/- 0.95   0.127% *  0.5459% (0.49   0.02   2.59) =   0.001%
          HG    LEU  115 - HN    ALA  120   7.12 +/- 0.34   0.071% *  0.5459% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA  120   9.72 +/- 0.93   0.013% *  0.2054% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA  120  14.34 +/- 0.60   0.001% *  0.7930% (0.71   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  120  12.15 +/- 2.32   0.005% *  0.1601% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA  120  15.07 +/- 0.57   0.001% *  0.6294% (0.56   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA  120  19.06 +/- 0.85   0.000% *  0.9579% (0.85   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA  120  21.82 +/- 0.48   0.000% *  0.7128% (0.63   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (0.97, 7.43, 118.69 ppm):
    8 chemical-shift based assignments, quality = 0.486, support = 5.75, residual support = 48.6:
          QG2   ILE  119 - HN    ALA  120   3.14 +/- 0.24  99.507% * 96.6861% (0.49   5.75  48.62) =  99.997%  kept
          QD1   LEU   67 - HN    ALA  120   9.48 +/- 2.42   0.380% *  0.5117% (0.74   0.02   0.02) =   0.002%
          QD2   LEU   40 - HN    ALA  120  11.07 +/- 0.49   0.059% *  0.4883% (0.71   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    ALA  120  12.14 +/- 0.47   0.034% *  0.5731% (0.83   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    ALA  120  14.59 +/- 0.66   0.011% *  0.4640% (0.67   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ALA  120  16.47 +/- 0.52   0.005% *  0.5337% (0.77   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ALA  120  19.14 +/- 1.12   0.002% *  0.6167% (0.89   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ALA  120  20.76 +/- 0.44   0.001% *  0.1265% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 616 (3.96, 8.66, 115.11 ppm):
    12 chemical-shift based assignments, quality = 0.249, support = 3.07, residual support = 16.5:
      O   QB    SER  117 - HN    SER  117   2.20 +/- 0.16  99.880% * 84.5943% (0.25   3.07  16.47) =  99.997%  kept
          HA    ALA  120 - HN    SER  117   7.37 +/- 0.17   0.077% *  2.0886% (0.95   0.02   5.97) =   0.002%
          HA    LYS+ 121 - HN    SER  117   8.28 +/- 0.34   0.041% *  1.2500% (0.57   0.02   0.02) =   0.001%
          HB    THR   94 - HN    SER  117  14.84 +/- 0.30   0.001% *  1.4283% (0.65   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER  117  17.97 +/- 0.32   0.000% *  2.0382% (0.92   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER  117  18.19 +/- 0.42   0.000% *  0.7531% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER  117  22.65 +/- 0.36   0.000% *  2.1308% (0.97   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    SER  117  20.15 +/- 0.33   0.000% *  1.0747% (0.49   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER  117  23.06 +/- 0.66   0.000% *  2.1308% (0.97   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER  117  23.05 +/- 0.37   0.000% *  1.6874% (0.76   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER  117  21.03 +/- 0.82   0.000% *  0.3867% (0.18   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER  117  28.90 +/- 0.35   0.000% *  0.4369% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 617 (2.52, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.378, support = 5.14, residual support = 28.7:
          HG3   GLN  116 - HN    SER  117   4.96 +/- 0.28  41.363% * 69.0753% (0.49   5.02  28.71) =  62.216%  kept
          HG2   GLN  116 - HN    SER  117   4.69 +/- 0.56  58.010% * 29.9096% (0.20   5.35  28.71) =  37.782%  kept
          HB3   PHE   95 - HN    SER  117  10.13 +/- 0.27   0.618% *  0.1410% (0.25   0.02   0.02) =   0.002%
          HB3   TRP   87 - HN    SER  117  20.40 +/- 0.47   0.009% *  0.3201% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    SER  117  33.55 +/- 0.33   0.000% *  0.5541% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 2 structures by 0.24 A, kept.
 
    Peak 618 (2.36, 8.66, 115.11 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 4.88, residual support = 28.7:
          HB2   GLN  116 - HN    SER  117   2.85 +/- 0.18  99.972% * 98.7705% (0.97   4.88  28.71) = 100.000%  kept
          HB3   PHE   97 - HN    SER  117  12.72 +/- 0.31   0.014% *  0.4194% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    SER  117  13.23 +/- 0.55   0.014% *  0.3045% (0.73   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    SER  117  22.67 +/- 0.89   0.000% *  0.3761% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    SER  117  25.01 +/- 0.84   0.000% *  0.1294% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 1 structures by 0.02 A, kept.
 
    Peak 620 (2.53, 8.17, 116.99 ppm):
    3 chemical-shift based assignments, quality = 0.726, support = 7.09, residual support = 112.2:
          HG2   GLN  116 - HN    GLN  116   2.92 +/- 0.19  99.910% * 99.4106% (0.73   7.09 112.17) = 100.000%  kept
          HB3   PHE   95 - HN    GLN  116   9.50 +/- 0.30   0.090% *  0.3091% (0.80   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    GLN  116  32.63 +/- 0.38   0.000% *  0.2803% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 112.2:
      O   HB2   GLN  116 - HN    GLN  116   2.18 +/- 0.05  99.991% * 99.0789% (0.98   7.00 112.17) = 100.000%  kept
          HB2   PRO   58 - HN    GLN  116  10.77 +/- 0.47   0.007% *  0.1295% (0.45   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLN  116  13.47 +/- 0.36   0.002% *  0.2590% (0.90   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN  116  23.83 +/- 0.81   0.000% *  0.2888% (1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    GLN  116  23.57 +/- 0.84   0.000% *  0.1635% (0.57   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    GLN  116  27.29 +/- 0.59   0.000% *  0.0803% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 622 (1.99, 8.17, 116.99 ppm):
    11 chemical-shift based assignments, quality = 0.796, support = 7.48, residual support = 91.2:
          HB2   LEU  115 - HN    GLN  116   3.33 +/- 0.24  89.839% * 66.9466% (0.80   7.61  94.76) =  96.185%  kept
          QB    GLU- 114 - HN    GLN  116   5.16 +/- 0.26   7.407% * 32.1885% (0.69   4.26   0.27) =   3.813%  kept
          HB2   LYS+ 111 - HN    GLN  116   6.10 +/- 0.25   2.595% *  0.0339% (0.15   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    GLN  116   9.94 +/- 0.50   0.135% *  0.1836% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    GLN  116  15.16 +/- 0.83   0.011% *  0.0904% (0.41   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLN  116  18.37 +/- 1.51   0.004% *  0.1836% (0.84   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLN  116  21.24 +/- 0.29   0.001% *  0.1680% (0.76   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    GLN  116  17.36 +/- 0.90   0.005% *  0.0435% (0.20   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLN  116  20.49 +/- 0.66   0.002% *  0.0435% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLN  116  22.09 +/- 0.58   0.001% *  0.0435% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN  116  31.65 +/- 0.37   0.000% *  0.0750% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 0.766, support = 8.6, residual support = 94.8:
          HG    LEU  115 - HN    GLN  116   2.53 +/- 0.90  86.284% * 43.4585% (0.73   8.67  94.76) =  84.270%  kept
          HB3   LEU  115 - HN    GLN  116   4.05 +/- 0.09  12.532% * 55.8449% (0.98   8.25  94.76) =  15.727%  kept
          QB    ALA  120 - HN    GLN  116   6.17 +/- 0.26   1.141% *  0.1003% (0.73   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    GLN  116  11.16 +/- 0.34   0.029% *  0.0518% (0.38   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    GLN  116  15.71 +/- 1.93   0.005% *  0.1381% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    GLN  116  16.57 +/- 0.48   0.003% *  0.1354% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    GLN  116  17.90 +/- 0.49   0.002% *  0.0672% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN  116  15.90 +/- 0.57   0.003% *  0.0307% (0.22   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN  116  19.67 +/- 0.51   0.001% *  0.0782% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    GLN  116  22.90 +/- 1.05   0.000% *  0.0949% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 94.8:
          QD1   LEU  115 - HN    GLN  116   3.64 +/- 0.67  99.989% * 99.6304% (0.49   7.61  94.76) = 100.000%  kept
          QG1   VAL   75 - HN    GLN  116  17.22 +/- 0.78   0.011% *  0.3696% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 625 (0.58, 8.17, 116.99 ppm):
    9 chemical-shift based assignments, quality = 0.566, support = 10.0, residual support = 94.8:
          QD2   LEU  115 - HN    GLN  116   2.52 +/- 0.22  99.585% * 98.5889% (0.57  10.00  94.76) =  99.999%  kept
          QD1   LEU   63 - HN    GLN  116   7.20 +/- 0.65   0.225% *  0.3124% (0.90   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    GLN  116   7.58 +/- 0.62   0.179% *  0.2910% (0.84   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    GLN  116  13.64 +/- 0.33   0.004% *  0.1075% (0.31   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    GLN  116  18.01 +/- 0.36   0.001% *  0.3124% (0.90   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    GLN  116  14.84 +/- 0.74   0.003% *  0.0538% (0.15   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    GLN  116  16.57 +/- 0.50   0.001% *  0.0969% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    GLN  116  20.86 +/- 0.55   0.000% *  0.1833% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    GLN  116  21.27 +/- 1.44   0.000% *  0.0538% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 626 (1.03, 8.17, 116.99 ppm):
    4 chemical-shift based assignments, quality = 0.725, support = 1.49, residual support = 14.9:
          QD1   ILE  119 - HN    GLN  116   4.66 +/- 0.19  83.050% * 95.8705% (0.73   1.50  14.91) =  99.847%  kept
          HG3   LYS+ 112 - HN    GLN  116   6.30 +/- 0.52  16.054% *  0.6622% (0.38   0.02   0.02) =   0.133%
          QG2   VAL  108 - HN    GLN  116  10.15 +/- 0.31   0.799% *  1.7644% (1.00   0.02   0.02) =   0.018%
          HB2   LEU  104 - HN    GLN  116  14.41 +/- 0.35   0.097% *  1.7028% (0.97   0.02   0.02) =   0.002%
    Distance limit 4.81 A violated in 0 structures by 0.01 A, kept.
 
    Peak 627 (3.45, 8.40, 122.87 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 0.75, residual support = 2.18:
          HA    LYS+ 112 - HN    LEU  115   3.34 +/- 0.20  99.954% * 94.6610% (0.90   0.75   2.18) =  99.999%  kept
          HB2   HIS  122 - HN    LEU  115  13.17 +/- 0.33   0.029% *  2.8147% (1.00   0.02   0.02) =   0.001%
          HB    THR   46 - HN    LEU  115  14.40 +/- 0.49   0.017% *  2.5243% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 628 (2.34, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.218, support = 0.0196, residual support = 92.7:
          HB2   GLN  116 - HN    LEU  115   4.60 +/- 0.08  99.155% *  8.0423% (0.22   0.02  94.76) =  97.859%  kept
          HB2   PRO   58 - HN    LEU  115  11.78 +/- 0.49   0.376% * 28.9252% (0.80   0.02   0.02) =   1.335%
          HG2   PRO   52 - HN    LEU  115  12.86 +/- 0.79   0.226% * 16.1952% (0.45   0.02   0.02) =   0.449%
          HB3   PHE   97 - HN    LEU  115  12.71 +/- 0.34   0.228% * 12.3219% (0.34   0.02   0.02) =   0.345%
          HB2   GLU-  79 - HN    LEU  115  22.66 +/- 0.88   0.007% *  5.5736% (0.15   0.02   0.02) =   0.005%
          HB2   GLU- 100 - HN    LEU  115  23.23 +/- 0.81   0.006% *  5.5736% (0.15   0.02   0.02) =   0.004%
          HG3   GLU-  25 - HN    LEU  115  32.04 +/- 0.41   0.001% * 23.3683% (0.65   0.02   0.02) =   0.003%
    Distance limit 4.26 A violated in 12 structures by 0.34 A, eliminated.
    Peak unassigned.
 
    Peak 629 (1.99, 8.40, 122.87 ppm):
    11 chemical-shift based assignments, quality = 0.794, support = 7.0, residual support = 216.5:
      O   HB2   LEU  115 - HN    LEU  115   2.06 +/- 0.10  89.024% * 62.1134% (0.80   7.12 228.53) =  94.310%  kept
          QB    GLU- 114 - HN    LEU  115   3.22 +/- 0.40   9.008% * 37.0296% (0.69   4.95  17.64) =   5.689%  kept
          HB2   LYS+ 111 - HN    LEU  115   3.94 +/- 0.19   1.962% *  0.0336% (0.15   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    LEU  115  10.70 +/- 0.55   0.005% *  0.1819% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    LEU  115  15.78 +/- 0.89   0.000% *  0.0895% (0.41   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LEU  115  19.59 +/- 1.54   0.000% *  0.1819% (0.84   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU  115  20.68 +/- 0.37   0.000% *  0.1664% (0.76   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU  115  17.21 +/- 0.97   0.000% *  0.0431% (0.20   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU  115  20.70 +/- 0.70   0.000% *  0.0431% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU  115  22.33 +/- 0.55   0.000% *  0.0431% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU  115  30.16 +/- 0.42   0.000% *  0.0743% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 630 (1.46, 8.40, 122.87 ppm):
    10 chemical-shift based assignments, quality = 0.878, support = 7.28, residual support = 228.5:
      O   HB3   LEU  115 - HN    LEU  115   3.27 +/- 0.22  52.611% * 56.5382% (0.98   7.22 228.53) =  59.686%  kept
          HG    LEU  115 - HN    LEU  115   3.44 +/- 0.52  47.098% * 42.6563% (0.73   7.36 228.53) =  40.313%  kept
          QB    ALA  120 - HN    LEU  115   7.89 +/- 0.22   0.261% *  0.1160% (0.73   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    LEU  115  12.66 +/- 0.39   0.015% *  0.0599% (0.38   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU  115  16.43 +/- 1.89   0.004% *  0.1597% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU  115  16.28 +/- 0.48   0.003% *  0.1565% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LEU  115  17.80 +/- 0.40   0.002% *  0.0777% (0.49   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU  115  18.77 +/- 0.54   0.001% *  0.0904% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU  115  16.48 +/- 0.55   0.003% *  0.0356% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU  115  21.91 +/- 0.98   0.001% *  0.1097% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 631 (1.14, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.526, support = 0.75, residual support = 3.08:
          QG2   VAL  107 - HN    LEU  115   2.92 +/- 0.21  97.913% * 84.9928% (0.53   0.75   3.08) =  99.970%  kept
          HG13  ILE  119 - HN    LEU  115   7.43 +/- 0.31   0.400% *  3.1282% (0.73   0.02  11.86) =   0.015%
          HD3   LYS+ 112 - HN    LEU  115   6.06 +/- 0.65   1.634% *  0.6647% (0.15   0.02   2.18) =   0.013%
          HG2   LYS+ 121 - HN    LEU  115  10.90 +/- 0.59   0.045% *  3.2922% (0.76   0.02   0.02) =   0.002%
          QB    ALA   20 - HN    LEU  115  18.43 +/- 0.44   0.002% *  4.2983% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LEU  115  14.90 +/- 0.63   0.006% *  0.6647% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    LEU  115  23.97 +/- 0.40   0.000% *  2.9591% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 632 (0.61, 8.40, 122.87 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 8.42, residual support = 228.5:
          QD2   LEU  115 - HN    LEU  115   3.88 +/- 0.26  97.166% * 98.7355% (0.65   8.42 228.53) =  99.997%  kept
          QD1   LEU   63 - HN    LEU  115   7.26 +/- 0.59   2.615% *  0.1119% (0.31   0.02   0.02) =   0.003%
          QD1   LEU  104 - HN    LEU  115  13.48 +/- 0.31   0.059% *  0.3251% (0.90   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU  115  11.78 +/- 0.39   0.135% *  0.1237% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU  115  20.08 +/- 0.85   0.006% *  0.3429% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU  115  19.38 +/- 0.53   0.007% *  0.2490% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU  115  17.12 +/- 0.42   0.014% *  0.1119% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 633 (0.45, 8.40, 122.87 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 7.13, residual support = 228.5:
          QD1   LEU  115 - HN    LEU  115   3.73 +/- 0.53  99.978% * 99.6698% (0.80   7.13 228.53) = 100.000%  kept
          QG1   VAL   75 - HN    LEU  115  15.66 +/- 0.74   0.022% *  0.3302% (0.95   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 634 (1.84, 8.62, 122.05 ppm):
    14 chemical-shift based assignments, quality = 0.567, support = 6.77, residual support = 139.1:
      O   HB    ILE  103 - HN    ILE  103   2.08 +/- 0.03  89.898% * 38.5134% (0.53   6.74 139.10) =  85.133%  kept
          HG12  ILE  103 - HN    ILE  103   3.03 +/- 0.18  10.040% * 60.2223% (0.80   6.92 139.10) =  14.867%  kept
          QB    LYS+ 106 - HN    ILE  103   7.66 +/- 0.58   0.041% *  0.0430% (0.20   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE  103   9.14 +/- 0.24   0.013% *  0.0974% (0.45   0.02   4.10) =   0.000%
          HB    VAL   41 - HN    ILE  103  10.35 +/- 1.22   0.007% *  0.1405% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE  103  16.40 +/- 0.50   0.000% *  0.0741% (0.34   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ILE  103  19.69 +/- 0.68   0.000% *  0.2130% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ILE  103  17.90 +/- 0.56   0.000% *  0.0974% (0.45   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE  103  20.65 +/- 2.08   0.000% *  0.1230% (0.57   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE  103  19.05 +/- 0.65   0.000% *  0.0604% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ILE  103  24.32 +/- 0.44   0.000% *  0.2130% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE  103  19.54 +/- 0.36   0.000% *  0.0484% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    ILE  103  20.04 +/- 0.34   0.000% *  0.0484% (0.22   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ILE  103  27.95 +/- 0.65   0.000% *  0.1058% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 635 (1.15, 8.62, 122.05 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 6.23, residual support = 139.1:
          HG13  ILE  103 - HN    ILE  103   4.10 +/- 0.09  99.683% * 98.5453% (0.65   6.23 139.10) =  99.999%  kept
          QG2   VAL  107 - HN    ILE  103  12.78 +/- 0.33   0.112% *  0.4845% (0.99   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    ILE  103  13.76 +/- 0.69   0.076% *  0.4717% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  103  12.97 +/- 0.51   0.101% *  0.0856% (0.18   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  103  19.95 +/- 0.27   0.008% *  0.3162% (0.65   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ILE  103  16.94 +/- 0.50   0.020% *  0.0967% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 2 structures by 0.18 A, kept.
 
    Peak 636 (0.98, 8.62, 122.05 ppm):
    8 chemical-shift based assignments, quality = 0.807, support = 6.09, residual support = 139.1:
          QG2   ILE  103 - HN    ILE  103   3.51 +/- 0.04  42.472% * 70.5669% (1.00   6.31 139.10) =  64.929%  kept
          QD1   ILE  103 - HN    ILE  103   3.31 +/- 0.52  56.802% * 28.4979% (0.45   5.68 139.10) =  35.068%  kept
          QD2   LEU   40 - HN    ILE  103   7.04 +/- 0.30   0.694% *  0.2159% (0.97   0.02   0.02) =   0.003%
          QD1   LEU   67 - HN    ILE  103  13.61 +/- 1.48   0.014% *  0.2193% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   71 - HN    ILE  103  14.73 +/- 0.62   0.008% *  0.1266% (0.57   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ILE  103  16.33 +/- 0.41   0.004% *  0.0920% (0.41   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    ILE  103  15.64 +/- 0.38   0.005% *  0.0622% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ILE  103  20.59 +/- 0.65   0.001% *  0.2193% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 637 (1.55, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 7.44, residual support = 219.2:
          HG    LEU  104 - HN    LEU  104   2.73 +/- 0.19  98.492% * 97.6202% (0.45   7.44 219.26) =  99.994%  kept
          HG2   LYS+ 106 - HN    LEU  104   6.08 +/- 0.82   1.411% *  0.4023% (0.69   0.02   0.02) =   0.006%
          HB3   LYS+ 121 - HN    LEU  104   9.15 +/- 0.71   0.089% *  0.2626% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LEU  104  16.74 +/- 1.19   0.002% *  0.5805% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    LEU  104  15.91 +/- 0.40   0.003% *  0.3316% (0.57   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    LEU  104  17.69 +/- 0.73   0.002% *  0.3552% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    LEU  104  20.32 +/- 0.25   0.001% *  0.4476% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.265, support = 7.12, residual support = 154.5:
      O   HB2   LEU  104 - HN    LEU  104   2.42 +/- 0.12  69.004% * 41.4597% (0.22   7.38 219.26) =  64.155%  kept
          QG2   ILE  103 - HN    LEU  104   2.90 +/- 0.36  27.933% * 57.1974% (0.34   6.65  38.55) =  35.828%  kept
          QD2   LEU   40 - HN    LEU  104   4.18 +/- 0.42   3.038% *  0.2455% (0.49   0.02   0.02) =   0.017%
          QD1   LEU   67 - HN    LEU  104  10.26 +/- 1.69   0.018% *  0.2261% (0.45   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    LEU  104  12.10 +/- 0.98   0.005% *  0.2455% (0.49   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    LEU  104  15.29 +/- 0.41   0.001% *  0.5000% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU  104  18.17 +/- 0.83   0.000% *  0.1258% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 639 (0.72, 9.38, 128.74 ppm):
    5 chemical-shift based assignments, quality = 0.792, support = 7.74, residual support = 203.7:
          QD2   LEU  104 - HN    LEU  104   2.87 +/- 0.43  87.052% * 65.3564% (0.80   7.96 219.26) =  92.747%  kept
          QD1   LEU   98 - HN    LEU  104   4.14 +/- 0.61  12.933% * 34.4021% (0.69   4.89   4.66) =   7.253%  kept
          QD1   ILE   19 - HN    LEU  104  16.50 +/- 0.32   0.003% *  0.1326% (0.65   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LEU  104  14.04 +/- 0.44   0.008% *  0.0456% (0.22   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU  104  16.40 +/- 0.46   0.003% *  0.0633% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 7.4, residual support = 57.2:
          HB2   PHE   97 - HN    ASP- 105   1.86 +/- 0.10  99.643% * 98.8079% (0.69   7.40  57.21) = 100.000%  kept
          QE    LYS+ 106 - HN    ASP- 105   6.04 +/- 1.08   0.336% *  0.0970% (0.25   0.02  19.68) =   0.000%
          QE    LYS+  99 - HN    ASP- 105   8.58 +/- 0.40   0.012% *  0.3487% (0.90   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ASP- 105   9.20 +/- 0.73   0.009% *  0.1599% (0.41   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ASP- 105  16.31 +/- 0.51   0.000% *  0.2515% (0.65   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ASP- 105  17.68 +/- 0.41   0.000% *  0.2824% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ASP- 105  13.72 +/- 0.78   0.001% *  0.0526% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 641 (2.37, 7.80, 116.22 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.17, residual support = 57.2:
          HB3   PHE   97 - HN    ASP- 105   2.25 +/- 0.22  99.989% * 98.6067% (0.90   5.17  57.21) = 100.000%  kept
          HB2   GLU- 100 - HN    ASP- 105  11.24 +/- 0.84   0.008% *  0.4257% (1.00   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    ASP- 105  14.54 +/- 0.37   0.002% *  0.4173% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ASP- 105  19.13 +/- 0.38   0.000% *  0.1909% (0.45   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    ASP- 105  18.48 +/- 0.75   0.000% *  0.1184% (0.28   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    ASP- 105  20.88 +/- 0.78   0.000% *  0.2410% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 4.66, residual support = 40.5:
      O   HB2   ASP- 105 - HN    ASP- 105   3.72 +/- 0.13  99.535% * 97.4436% (0.80   4.66  40.54) =  99.999%  kept
          HG12  ILE  119 - HN    ASP- 105  10.62 +/- 0.47   0.192% *  0.3587% (0.69   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    ASP- 105  11.73 +/- 0.54   0.110% *  0.2542% (0.49   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP- 105  13.06 +/- 0.56   0.056% *  0.1452% (0.28   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ASP- 105  12.79 +/- 0.43   0.062% *  0.1034% (0.20   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ASP- 105  15.78 +/- 1.19   0.021% *  0.1781% (0.34   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP- 105  19.34 +/- 0.67   0.005% *  0.5222% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ASP- 105  21.87 +/- 0.48   0.002% *  0.5119% (0.98   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    ASP- 105  21.21 +/- 0.33   0.003% *  0.2957% (0.57   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP- 105  17.89 +/- 1.54   0.009% *  0.0707% (0.14   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP- 105  21.32 +/- 1.95   0.004% *  0.1163% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 643 (1.87, 7.80, 116.22 ppm):
    13 chemical-shift based assignments, quality = 0.764, support = 4.42, residual support = 40.5:
      O   HB3   ASP- 105 - HN    ASP- 105   2.64 +/- 0.17  97.204% * 95.2063% (0.76   4.42  40.54) =  99.985%  kept
          QB    LYS+ 106 - HN    ASP- 105   5.40 +/- 0.25   1.653% *  0.5519% (0.98   0.02  19.68) =   0.010%
          HB    ILE  103 - HN    ASP- 105   5.87 +/- 0.41   1.128% *  0.3868% (0.69   0.02   4.10) =   0.005%
          HB3   LYS+  38 - HN    ASP- 105  15.07 +/- 0.55   0.003% *  0.4089% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ASP- 105  16.31 +/- 2.16   0.003% *  0.3643% (0.65   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASP- 105  15.95 +/- 0.35   0.002% *  0.4884% (0.87   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP- 105  16.84 +/- 0.40   0.002% *  0.4884% (0.87   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP- 105  16.71 +/- 0.31   0.002% *  0.2962% (0.53   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP- 105  18.79 +/- 0.77   0.001% *  0.5198% (0.92   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP- 105  20.22 +/- 0.34   0.001% *  0.5434% (0.97   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASP- 105  17.63 +/- 0.58   0.001% *  0.2113% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASP- 105  17.71 +/- 0.41   0.001% *  0.1254% (0.22   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP- 105  23.18 +/- 0.81   0.000% *  0.4089% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 644 (1.55, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.513, support = 5.87, residual support = 34.3:
          HG    LEU  104 - HN    ASP- 105   4.35 +/- 0.18  67.858% * 51.5974% (0.45   6.59  39.79) =  72.906%  kept
          HG2   LYS+ 106 - HN    ASP- 105   5.14 +/- 0.57  27.538% * 47.2236% (0.69   3.94  19.68) =  27.079%  kept
          HB3   LYS+ 121 - HN    ASP- 105   7.07 +/- 0.62   4.485% *  0.1566% (0.45   0.02   0.02) =   0.015%
          HB3   LYS+ 111 - HN    ASP- 105  13.63 +/- 0.29   0.074% *  0.1977% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    ASP- 105  17.96 +/- 1.21   0.016% *  0.3461% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ASP- 105  16.77 +/- 0.74   0.022% *  0.2118% (0.61   0.02   0.02) =   0.000%
          QG    LYS+  81 - HN    ASP- 105  20.26 +/- 0.30   0.007% *  0.2669% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 645 (1.00, 7.80, 116.22 ppm):
    7 chemical-shift based assignments, quality = 0.244, support = 5.89, residual support = 33.4:
          HB2   LEU  104 - HN    ASP- 105   2.38 +/- 0.28  74.325% * 58.6231% (0.22   6.55  39.79) =  82.032%  kept
          QG2   ILE  103 - HN    ASP- 105   3.08 +/- 0.38  24.311% * 39.2360% (0.34   2.86   4.10) =  17.958%  kept
          QD2   LEU   40 - HN    ASP- 105   4.76 +/- 0.40   1.317% *  0.3914% (0.49   0.02   0.02) =   0.010%
          QD1   LEU   67 - HN    ASP- 105   9.61 +/- 2.02   0.031% *  0.3605% (0.45   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    ASP- 105  10.28 +/- 0.95   0.014% *  0.3914% (0.49   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    ASP- 105  15.21 +/- 0.42   0.001% *  0.7970% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    ASP- 105  17.43 +/- 0.94   0.000% *  0.2005% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 646 (2.24, 8.97, 118.18 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 3.73, residual support = 19.7:
          HB2   ASP- 105 - HN    LYS+ 106   2.50 +/- 0.07  99.905% * 97.7683% (0.98   3.73  19.68) = 100.000%  kept
          HB2   MET   96 - HN    LYS+ 106   8.77 +/- 0.15   0.054% *  0.1651% (0.31   0.02   2.30) =   0.000%
          HG12  ILE  119 - HN    LYS+ 106   9.55 +/- 0.35   0.033% *  0.2200% (0.41   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    LYS+ 106  16.47 +/- 0.97   0.001% *  0.4798% (0.90   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    LYS+ 106  16.09 +/- 0.53   0.001% *  0.4089% (0.76   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    LYS+ 106  14.29 +/- 1.69   0.004% *  0.0826% (0.15   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LYS+ 106  20.94 +/- 0.27   0.000% *  0.4469% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    LYS+ 106  24.53 +/- 0.54   0.000% *  0.4284% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 647 (1.87, 8.97, 118.18 ppm):
    13 chemical-shift based assignments, quality = 0.948, support = 4.91, residual support = 113.7:
      O   QB    LYS+ 106 - HN    LYS+ 106   3.05 +/- 0.21  75.616% * 63.3001% (0.98   5.13 130.11) =  85.130%  kept
          HB3   ASP- 105 - HN    LYS+ 106   3.74 +/- 0.15  24.021% * 34.8036% (0.76   3.62  19.68) =  14.869%  kept
          HB    ILE  103 - HN    LYS+ 106   7.64 +/- 0.33   0.335% *  0.1729% (0.69   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    LYS+ 106  13.68 +/- 0.37   0.009% *  0.2183% (0.87   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+ 106  16.92 +/- 1.07   0.003% *  0.2324% (0.92   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+ 106  14.75 +/- 0.78   0.006% *  0.0945% (0.38   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+ 106  19.08 +/- 2.19   0.002% *  0.1628% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+ 106  19.67 +/- 0.43   0.001% *  0.2429% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+ 106  19.45 +/- 0.54   0.001% *  0.1828% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+ 106  20.01 +/- 0.36   0.001% *  0.2183% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+ 106  16.73 +/- 0.32   0.003% *  0.0560% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+ 106  19.43 +/- 0.31   0.001% *  0.1324% (0.53   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+ 106  21.28 +/- 0.92   0.001% *  0.1828% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 650 (0.25, 8.97, 118.18 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 2.2, residual support = 2.31:
          QG2   THR  118 - HN    LYS+ 106   4.56 +/- 0.06 100.000% *100.0000% (0.53   2.20   2.31) = 100.000%  kept
    Distance limit 4.63 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 = 40.9:
          HB2   PHE   95 - HN    VAL  107   2.65 +/- 0.30 100.000% *100.0000% (1.00   2.31  40.89) = 100.000%  kept
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 652 (2.41, 9.57, 125.50 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 53.5:
      O   HB    VAL  107 - HN    VAL  107   2.51 +/- 0.09  99.964% * 98.4307% (0.99   3.33  53.49) = 100.000%  kept
          HB3   PHE   45 - HN    VAL  107  10.21 +/- 0.25   0.023% *  0.4093% (0.69   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    VAL  107  11.27 +/- 0.24   0.012% *  0.4093% (0.69   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    VAL  107  17.95 +/- 0.72   0.001% *  0.2236% (0.38   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    VAL  107  20.64 +/- 0.94   0.000% *  0.4093% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    VAL  107  24.42 +/- 0.61   0.000% *  0.1179% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 653 (1.88, 9.57, 125.50 ppm):
    13 chemical-shift based assignments, quality = 0.526, support = 4.58, residual support = 20.5:
          QB    LYS+ 106 - HN    VAL  107   3.25 +/- 0.11  96.477% * 94.8022% (0.53   4.58  20.46) =  99.991%  kept
          HB3   ASP- 105 - HN    VAL  107   5.85 +/- 0.31   3.126% *  0.1963% (0.25   0.02   0.02) =   0.007%
          HB    ILE   56 - HN    VAL  107  10.23 +/- 0.45   0.103% *  0.7268% (0.92   0.02   0.02) =   0.001%
          HB2   MET   92 - HN    VAL  107  11.12 +/- 0.65   0.063% *  0.7061% (0.90   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    VAL  107   9.41 +/- 0.50   0.179% *  0.1558% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    VAL  107  14.56 +/- 0.43   0.012% *  0.5718% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    VAL  107  13.72 +/- 0.81   0.019% *  0.3237% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    VAL  107  17.50 +/- 0.30   0.004% *  0.7718% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    VAL  107  16.72 +/- 0.44   0.005% *  0.3833% (0.49   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    VAL  107  20.58 +/- 0.52   0.002% *  0.7804% (0.99   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL  107  17.69 +/- 0.87   0.004% *  0.1753% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    VAL  107  19.04 +/- 0.33   0.002% *  0.2686% (0.34   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL  107  19.27 +/- 1.90   0.003% *  0.1379% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 654 (1.12, 9.57, 125.50 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.52, residual support = 53.5:
          QG1   VAL  107 - HN    VAL  107   3.12 +/- 0.12  99.763% * 89.8523% (0.20   3.52  53.49) =  99.995%  kept
          HG13  ILE  119 - HN    VAL  107   9.40 +/- 0.58   0.143% *  2.5540% (0.99   0.02   0.02) =   0.004%
          HG2   LYS+ 121 - HN    VAL  107  11.04 +/- 0.75   0.058% *  0.6425% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL  107  12.91 +/- 0.88   0.022% *  1.5629% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  107  17.18 +/- 0.35   0.004% *  2.5711% (1.00   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    VAL  107  16.15 +/- 0.29   0.005% *  1.5629% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  107  16.80 +/- 1.08   0.004% *  1.2543% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 655 (2.05, 9.14, 128.89 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 3.76, residual support = 60.5:
      O   HB    VAL  108 - HN    VAL  108   2.47 +/- 0.22  99.935% * 96.9662% (0.95   3.76  60.45) = 100.000%  kept
          HB2   PRO   93 - HN    VAL  108   9.62 +/- 0.47   0.040% *  0.5156% (0.95   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    VAL  108  11.92 +/- 0.39   0.009% *  0.4165% (0.76   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    VAL  108  11.85 +/- 0.43   0.010% *  0.0954% (0.18   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    VAL  108  16.68 +/- 0.32   0.001% *  0.5342% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    VAL  108  13.93 +/- 0.39   0.004% *  0.0954% (0.18   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    VAL  108  21.67 +/- 0.50   0.000% *  0.4165% (0.76   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    VAL  108  22.19 +/- 0.40   0.000% *  0.3744% (0.69   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    VAL  108  23.10 +/- 0.66   0.000% *  0.2443% (0.45   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    VAL  108  23.53 +/- 0.98   0.000% *  0.0841% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    VAL  108  27.64 +/- 1.72   0.000% *  0.1213% (0.22   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    VAL  108  35.47 +/- 2.89   0.000% *  0.1359% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (1.13, 9.14, 128.89 ppm):
    7 chemical-shift based assignments, quality = 0.278, support = 2.97, residual support = 9.35:
          QG2   VAL  107 - HN    VAL  108   2.92 +/- 0.16  99.926% * 91.5329% (0.28   2.97   9.35) =  99.999%  kept
          HG13  ILE  119 - HN    VAL  108  11.38 +/- 0.45   0.031% *  2.1002% (0.95   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    VAL  108  12.69 +/- 0.86   0.017% *  1.0807% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL  108  12.00 +/- 0.70   0.022% *  0.7573% (0.34   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    VAL  108  18.17 +/- 0.33   0.002% *  1.9258% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    VAL  108  20.88 +/- 0.42   0.001% *  2.0495% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    VAL  108  18.65 +/- 1.07   0.002% *  0.5536% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 9.28:
          QG1   VAL  107 - HN    VAL  108   3.95 +/- 0.08  99.739% *  8.8393% (0.25   0.02   9.35) =  99.233%  kept
          HG3   LYS+ 112 - HN    VAL  108  11.67 +/- 0.64   0.166% * 21.5009% (0.61   0.02   0.02) =   0.402%
          HG    LEU   63 - HN    VAL  108  12.88 +/- 0.47   0.086% * 34.2108% (0.97   0.02   0.02) =   0.329%
          QG2   VAL   24 - HN    VAL  108  18.81 +/- 0.68   0.009% * 35.4490% (1.00   0.02   0.02) =   0.035%
    Distance limit 3.47 A violated in 20 structures by 0.48 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 = 27.2:
      O   HA    VAL   75 - HN    ASP-  76   2.23 +/- 0.04  99.998% * 98.7017% (0.69   4.64  27.21) = 100.000%  kept
          HA    ALA   61 - HN    ASP-  76  14.77 +/- 0.35   0.001% *  0.4253% (0.69   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASP-  76  16.29 +/- 0.27   0.001% *  0.5716% (0.92   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASP-  76  22.16 +/- 0.80   0.000% *  0.3014% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 660 (2.90, 9.10, 128.88 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.72, residual support = 36.3:
      O   HB2   ASP-  76 - HN    ASP-  76   2.36 +/- 0.38  99.609% * 98.7762% (1.00   3.72  36.33) =  99.998%  kept
          HB2   ASP-  78 - HN    ASP-  76   6.43 +/- 0.34   0.382% *  0.3854% (0.73   0.02   4.25) =   0.001%
          HB2   ASN   28 - HN    ASP-  76  12.76 +/- 0.51   0.006% *  0.0819% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  76  15.74 +/- 1.20   0.002% *  0.1182% (0.22   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  76  23.40 +/- 0.52   0.000% *  0.5202% (0.98   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    ASP-  76  21.67 +/- 0.52   0.000% *  0.1182% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 3.75, residual support = 36.3:
      O   HB3   ASP-  76 - HN    ASP-  76   3.17 +/- 0.31  99.373% * 89.7407% (0.28   3.75  36.33) =  99.993%  kept
          HB2   ASP-  44 - HN    ASP-  76   8.54 +/- 0.44   0.317% *  0.7720% (0.45   0.02   0.02) =   0.003%
          QG    GLN   90 - HN    ASP-  76  10.17 +/- 2.23   0.201% *  1.1139% (0.65   0.02   0.02) =   0.003%
          HB2   GLU-  29 - HN    ASP-  76  13.08 +/- 0.87   0.026% *  1.6289% (0.95   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ASP-  76  14.04 +/- 1.36   0.024% *  1.4937% (0.87   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ASP-  76  12.26 +/- 0.61   0.035% *  0.9749% (0.57   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  76  15.73 +/- 2.17   0.014% *  0.8382% (0.49   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  76  19.43 +/- 0.68   0.002% *  1.6289% (0.95   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP-  76  16.77 +/- 1.12   0.005% *  0.5874% (0.34   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    ASP-  76  19.79 +/- 0.25   0.002% *  0.8382% (0.49   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    ASP-  76  23.61 +/- 1.10   0.001% *  0.3834% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 662 (0.45, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 4.97, residual support = 27.2:
          QG1   VAL   75 - HN    ASP-  76   2.80 +/- 0.52  99.993% * 99.7156% (0.69   4.97  27.21) = 100.000%  kept
          QD1   LEU  115 - HN    ASP-  76  15.25 +/- 0.48   0.007% *  0.2844% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 1 structures by 0.03 A, kept.
 
    Peak 663 (0.13, 9.10, 128.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.64, residual support = 27.2:
          QG2   VAL   75 - HN    ASP-  76   3.62 +/- 0.19  99.922% * 99.6073% (0.98   4.64  27.21) = 100.000%  kept
          QG2   VAL   42 - HN    ASP-  76  12.36 +/- 1.15   0.078% *  0.3927% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 9.42:
      O   HA2   GLY  109 - HN    GLY  109   2.79 +/- 0.13  99.951% * 94.2642% (0.43   2.20   9.42) =  99.999%  kept
          HA    ALA   84 - HN    GLY  109  11.63 +/- 0.48   0.021% *  1.1542% (0.58   0.02   0.02) =   0.000%
          HA    THR  118 - HN    GLY  109  12.64 +/- 0.17   0.012% *  1.3101% (0.65   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    GLY  109  14.11 +/- 0.31   0.006% *  1.4575% (0.73   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    GLY  109  14.41 +/- 0.69   0.006% *  1.3942% (0.70   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    GLY  109  14.47 +/- 0.32   0.005% *  0.4199% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 666 (1.22, 8.60, 114.88 ppm):
    8 chemical-shift based assignments, quality = 0.693, support = 0.0198, residual support = 0.0198:
          HG3   LYS+ 111 - HN    GLY  109   6.19 +/- 0.31  87.305% * 20.3763% (0.70   0.02   0.02) =  88.113%  kept
          HG12  ILE   89 - HN    GLY  109   8.98 +/- 0.48  10.270% * 21.3024% (0.73   0.02   0.02) =  10.836%  kept
          HG2   LYS+  74 - HN    GLY  109  13.15 +/- 0.79   1.042% * 13.3882% (0.46   0.02   0.02) =   0.691%
          HD2   LYS+ 112 - HN    GLY  109  13.03 +/- 0.84   1.161% *  4.3683% (0.15   0.02   0.02) =   0.251%
          HG    LEU   71 - HN    GLY  109  21.55 +/- 0.71   0.052% * 14.2794% (0.49   0.02   0.02) =   0.037%
          HG3   LYS+  99 - HN    GLY  109  21.42 +/- 0.50   0.053% * 12.4970% (0.43   0.02   0.02) =   0.033%
          HG13  ILE   19 - HN    GLY  109  21.48 +/- 0.31   0.052% *  8.2844% (0.28   0.02   0.02) =   0.021%
          HB3   LEU   71 - HN    GLY  109  20.80 +/- 0.86   0.066% *  5.5041% (0.19   0.02   0.02) =   0.018%
    Distance limit 4.57 A violated in 20 structures by 1.51 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 = 7.31:
          QG1   VAL  108 - HN    GLY  109   2.33 +/- 0.25  99.995% * 98.9381% (0.65   3.09   7.31) = 100.000%  kept
          QD1   LEU   40 - HN    GLY  109  14.52 +/- 0.40   0.002% *  0.5069% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    GLY  109  14.64 +/- 0.25   0.002% *  0.2517% (0.26   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    GLY  109  16.90 +/- 0.92   0.001% *  0.3034% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 668 (3.69, 8.75, 122.21 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 2.2, residual support = 6.44:
      O   HA2   GLY  109 - HN    ALA  110   2.84 +/- 0.20  99.958% * 94.2644% (0.57   2.20   6.44) =  99.999%  kept
          HB2   TRP   49 - HN    ALA  110  12.10 +/- 0.65   0.019% *  1.3941% (0.92   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA  110  13.92 +/- 0.39   0.008% *  1.3100% (0.87   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA  110  14.62 +/- 0.53   0.006% *  1.4575% (0.97   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  110  14.75 +/- 0.60   0.006% *  1.1542% (0.76   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  110  15.85 +/- 0.49   0.004% *  0.4199% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 669 (1.84, 8.75, 122.21 ppm):
    14 chemical-shift based assignments, quality = 0.221, support = 0.746, residual support = 6.63:
          HG2   PRO   93 - HN    ALA  110   2.49 +/- 0.44  95.441% * 54.6666% (0.22   0.75   6.67) =  99.448%  kept
          HB3   PRO   52 - HN    ALA  110   4.56 +/- 0.61   4.482% *  6.4182% (0.98   0.02   0.02) =   0.548%
          HG2   ARG+  54 - HN    ALA  110  10.55 +/- 1.21   0.031% *  3.1872% (0.49   0.02   0.02) =   0.002%
          QB    LYS+ 106 - HN    ALA  110  10.85 +/- 0.53   0.023% *  1.2958% (0.20   0.02   0.02) =   0.001%
          HB3   GLN   90 - HN    ALA  110  12.23 +/- 1.22   0.012% *  1.8205% (0.28   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA  110  14.79 +/- 0.51   0.003% *  2.9356% (0.45   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    ALA  110  18.12 +/- 0.61   0.001% *  5.2431% (0.80   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ALA  110  18.83 +/- 0.71   0.001% *  6.4182% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    ALA  110  17.20 +/- 0.66   0.001% *  2.9356% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA  110  16.11 +/- 0.77   0.002% *  1.4578% (0.22   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA  110  18.60 +/- 0.53   0.001% *  3.4450% (0.53   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    ALA  110  20.27 +/- 0.91   0.001% *  4.2358% (0.65   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA  110  24.81 +/- 1.28   0.000% *  3.7071% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ALA  110  24.44 +/- 0.54   0.000% *  2.2335% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.33 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 = 9.57:
      O   QB    ALA  110 - HN    ALA  110   2.09 +/- 0.14  99.955% * 90.9408% (0.69   2.12   9.57) = 100.000%  kept
          HB3   LEU  115 - HN    ALA  110   8.18 +/- 0.63   0.041% *  0.5136% (0.41   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA  110  12.54 +/- 0.39   0.002% *  1.1203% (0.90   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA  110  17.04 +/- 0.80   0.000% *  1.2382% (0.99   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA  110  18.91 +/- 0.56   0.000% *  1.1203% (0.90   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA  110  18.71 +/- 0.85   0.000% *  0.9071% (0.73   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA  110  20.39 +/- 0.66   0.000% *  1.2245% (0.98   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA  110  19.93 +/- 0.89   0.000% *  0.5136% (0.41   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA  110  22.61 +/- 0.56   0.000% *  0.7577% (0.61   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA  110  20.68 +/- 1.53   0.000% *  0.3856% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA  110  19.12 +/- 0.60   0.000% *  0.2781% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA  110  25.10 +/- 1.06   0.000% *  1.0003% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 671 (2.02, 7.58, 125.75 ppm):
    12 chemical-shift based assignments, quality = 0.997, support = 7.06, residual support = 313.3:
      O   HB2   LYS+ 111 - HN    LYS+ 111   3.44 +/- 0.31  83.875% * 98.2131% (1.00   7.06 313.41) =  99.971%  kept
          QB    GLU- 114 - HN    LYS+ 111   4.88 +/- 0.81  16.021% *  0.1467% (0.53   0.02   5.53) =   0.029%
          HB    ILE  119 - HN    LYS+ 111  10.87 +/- 0.53   0.094% *  0.0695% (0.25   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 111  21.04 +/- 0.64   0.002% *  0.2733% (0.98   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 111  23.28 +/- 0.56   0.001% *  0.2733% (0.98   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 111  20.45 +/- 0.35   0.002% *  0.1250% (0.45   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 111  23.36 +/- 0.86   0.001% *  0.2501% (0.90   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 111  22.33 +/- 1.27   0.001% *  0.1047% (0.38   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 111  24.13 +/- 0.77   0.001% *  0.1467% (0.53   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 111  23.01 +/- 0.43   0.001% *  0.0695% (0.25   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 111  28.36 +/- 0.35   0.000% *  0.2419% (0.87   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 111  25.98 +/- 0.43   0.000% *  0.0861% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 672 (1.52, 7.58, 125.75 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 5.17, residual support = 313.4:
      O   HB3   LYS+ 111 - HN    LYS+ 111   2.31 +/- 0.26  99.987% * 97.9627% (0.92   5.17 313.41) = 100.000%  kept
          HD3   LYS+  74 - HN    LYS+ 111  13.49 +/- 0.77   0.004% *  0.3679% (0.90   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+ 111  13.52 +/- 0.61   0.003% *  0.4021% (0.98   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+ 111  14.80 +/- 1.91   0.003% *  0.1687% (0.41   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+ 111  16.86 +/- 0.78   0.001% *  0.3285% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+ 111  18.13 +/- 0.37   0.001% *  0.4021% (0.98   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+ 111  18.48 +/- 0.90   0.001% *  0.1399% (0.34   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+ 111  19.63 +/- 0.36   0.000% *  0.1141% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+ 111  25.94 +/- 1.04   0.000% *  0.1141% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 313.4:
          HG3   LYS+ 111 - HN    LYS+ 111   3.16 +/- 0.26  99.550% * 98.8194% (0.92   6.54 313.41) = 100.000%  kept
          HD2   LYS+ 112 - HN    LYS+ 111   8.39 +/- 0.64   0.413% *  0.0648% (0.20   0.02  25.46) =   0.000%
          HG12  ILE   89 - HN    LYS+ 111  13.46 +/- 0.46   0.020% *  0.3159% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    LYS+ 111  14.62 +/- 0.93   0.013% *  0.1985% (0.61   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    LYS+ 111  22.58 +/- 0.69   0.001% *  0.2117% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    LYS+ 111  22.24 +/- 0.52   0.001% *  0.1853% (0.57   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    LYS+ 111  22.55 +/- 0.32   0.001% *  0.1228% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 111  21.82 +/- 0.69   0.001% *  0.0816% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 2.3, residual support = 2.3:
          QD1   ILE   56 - HN    LYS+ 111   3.30 +/- 0.32  99.961% * 97.6304% (0.76   2.30   2.30) = 100.000%  kept
          HG3   LYS+ 121 - HN    LYS+ 111  14.82 +/- 0.60   0.014% *  1.0716% (0.97   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    LYS+ 111  14.68 +/- 0.53   0.014% *  0.3788% (0.34   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    LYS+ 111  16.00 +/- 1.12   0.010% *  0.5405% (0.49   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LYS+ 111  22.29 +/- 0.77   0.001% *  0.3788% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 5.73, residual support = 234.0:
      O   HA    LYS+ 112 - HN    LYS+ 112   2.81 +/- 0.02  99.993% * 99.5204% (0.87   5.73 234.00) = 100.000%  kept
          HB    THR   46 - HN    LYS+ 112  14.47 +/- 0.42   0.005% *  0.1367% (0.34   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    LYS+ 112  17.23 +/- 0.29   0.002% *  0.2430% (0.61   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LYS+ 112  26.99 +/- 0.67   0.000% *  0.0999% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 676 (2.02, 8.49, 124.18 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 7.08, residual support = 25.5:
          HB2   LYS+ 111 - HN    LYS+ 112   3.92 +/- 0.18  90.733% * 97.8572% (0.87   7.08  25.46) =  99.991%  kept
          QB    GLU- 114 - HN    LYS+ 112   6.15 +/- 0.64   8.303% *  0.0886% (0.28   0.02   0.59) =   0.008%
          HB    ILE  119 - HN    LYS+ 112  10.17 +/- 0.33   0.305% *  0.1551% (0.49   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    LYS+ 112  10.05 +/- 0.90   0.449% *  0.0886% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+ 112  11.01 +/- 0.53   0.196% *  0.0709% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LYS+ 112  22.17 +/- 0.62   0.003% *  0.2552% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+ 112  23.80 +/- 1.03   0.002% *  0.3186% (1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LYS+ 112  24.63 +/- 0.55   0.001% *  0.2552% (0.80   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+ 112  27.02 +/- 0.72   0.001% *  0.2552% (0.80   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+ 112  25.90 +/- 0.35   0.001% *  0.1551% (0.49   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LYS+ 112  22.82 +/- 0.30   0.002% *  0.0709% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    LYS+ 112  22.66 +/- 1.16   0.003% *  0.0558% (0.18   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LYS+ 112  28.72 +/- 0.41   0.001% *  0.1804% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LYS+ 112  31.83 +/- 0.33   0.000% *  0.1933% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 1 structures by 0.02 A, kept.
 
    Peak 677 (1.39, 8.49, 124.18 ppm):
    13 chemical-shift based assignments, quality = 0.764, support = 5.71, residual support = 234.0:
      O   HB2   LYS+ 112 - HN    LYS+ 112   2.14 +/- 0.16  99.972% * 96.4808% (0.76   5.71 234.00) = 100.000%  kept
          HB3   PRO   93 - HN    LYS+ 112   8.78 +/- 0.45   0.025% *  0.0682% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+ 112  15.61 +/- 0.30   0.001% *  0.2860% (0.65   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+ 112  17.39 +/- 0.22   0.000% *  0.4081% (0.92   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+ 112  15.87 +/- 1.61   0.001% *  0.1659% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 112  18.46 +/- 0.93   0.000% *  0.4081% (0.92   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+ 112  19.54 +/- 0.33   0.000% *  0.3037% (0.69   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 112  19.18 +/- 0.51   0.000% *  0.1817% (0.41   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 112  21.89 +/- 0.27   0.000% *  0.3835% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 112  25.99 +/- 1.08   0.000% *  0.3692% (0.84   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 112  28.93 +/- 1.91   0.000% *  0.4081% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 112  29.46 +/- 0.51   0.000% *  0.4266% (0.97   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 112  24.57 +/- 0.75   0.000% *  0.1102% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.863, support = 5.78, residual support = 234.0:
      O   HB3   LYS+ 112 - HN    LYS+ 112   3.39 +/- 0.07  84.515% * 60.8314% (0.90   5.70 234.00) =  91.825%  kept
          HD2   LYS+ 112 - HN    LYS+ 112   4.99 +/- 0.74  11.830% * 38.6726% (0.49   6.67 234.00) =   8.171%  kept
          QG2   VAL  107 - HN    LYS+ 112   5.77 +/- 0.24   3.550% *  0.0471% (0.20   0.02   0.02) =   0.003%
          QG2   THR   94 - HN    LYS+ 112  10.45 +/- 0.31   0.102% *  0.2066% (0.87   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    LYS+ 112  18.76 +/- 0.55   0.003% *  0.1444% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    LYS+ 112  24.16 +/- 0.59   0.001% *  0.0979% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 680 (0.38, 8.49, 124.18 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 6.23, residual support = 234.0:
          HG2   LYS+ 112 - HN    LYS+ 112   3.28 +/- 0.33  99.912% * 98.1757% (0.34   6.23 234.00) =  99.999%  kept
          QB    ALA   47 - HN    LYS+ 112  12.67 +/- 0.44   0.037% *  0.7399% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    LYS+ 112  12.62 +/- 0.17   0.037% *  0.6347% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    LYS+ 112  14.75 +/- 0.28   0.014% *  0.4497% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.20 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   3.66 +/- 0.13  99.938% * 96.8852% (0.76   1.74   7.38) = 100.000%  kept
          HG3   LYS+ 121 - HN    LYS+ 112  15.72 +/- 0.49   0.017% *  1.4086% (0.97   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    LYS+ 112  13.72 +/- 0.46   0.037% *  0.4979% (0.34   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    LYS+ 112  18.27 +/- 0.98   0.007% *  0.7105% (0.49   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LYS+ 112  25.80 +/- 0.79   0.001% *  0.4979% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 234.0:
          HG3   LYS+ 112 - HN    LYS+ 112   3.43 +/- 0.36  99.733% * 99.2175% (0.87   5.94 234.00) = 100.000%  kept
          HG    LEU   63 - HN    LYS+ 112  12.71 +/- 0.97   0.048% *  0.3776% (0.98   0.02   0.02) =   0.000%
          QG2   VAL  108 - HN    LYS+ 112   9.75 +/- 0.60   0.218% *  0.0594% (0.15   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LYS+ 112  23.82 +/- 0.36   0.001% *  0.3455% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 2 structures by 0.13 A, kept.
 
    Peak 683 (3.46, 8.43, 117.70 ppm):
    4 chemical-shift based assignments, quality = 0.739, support = 5.06, residual support = 15.4:
      O   HA    LYS+ 112 - HN    ASP- 113   3.51 +/- 0.02  99.981% * 99.4580% (0.74   5.06  15.43) = 100.000%  kept
          HB2   HIS  122 - HN    ASP- 113  16.60 +/- 0.26   0.009% *  0.2747% (0.52   0.02   0.02) =   0.000%
          HB    THR   46 - HN    ASP- 113  16.36 +/- 0.41   0.010% *  0.1545% (0.29   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    ASP- 113  28.78 +/- 0.63   0.000% *  0.1129% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 684 (2.69, 8.43, 117.70 ppm):
    1 chemical-shift based assignment, quality = 0.823, support = 3.19, residual support = 13.6:
      O   QB    ASP- 113 - HN    ASP- 113   2.16 +/- 0.17 100.000% *100.0000% (0.82   3.19  13.57) = 100.000%  kept
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.33, 8.43, 117.70 ppm):
    7 chemical-shift based assignments, quality = 0.263, support = 2.57, residual support = 21.3:
          QG    GLU- 114 - HN    ASP- 113   3.97 +/- 0.40  99.585% * 92.8743% (0.26   2.57  21.33) =  99.995%  kept
          HG2   PRO   52 - HN    ASP- 113  12.91 +/- 0.70   0.107% *  1.7866% (0.65   0.02   0.02) =   0.002%
          HB2   PRO   58 - HN    ASP- 113  12.73 +/- 0.47   0.109% *  1.1379% (0.41   0.02   0.02) =   0.001%
          HG2   MET   92 - HN    ASP- 113  12.34 +/- 1.91   0.195% *  0.5829% (0.21   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    ASP- 113  24.76 +/- 0.82   0.002% *  0.8774% (0.32   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ASP- 113  35.04 +/- 0.32   0.000% *  2.1580% (0.79   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP- 113  34.67 +/- 0.92   0.000% *  0.5829% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.01 A, kept.
 
    Peak 686 (2.02, 8.43, 117.70 ppm):
    12 chemical-shift based assignments, quality = 0.833, support = 3.67, residual support = 6.3:
          HB2   LYS+ 111 - HN    ASP- 113   3.12 +/- 0.41  90.866% * 67.1179% (0.85   3.69   5.62) =  95.660%  kept
          QB    GLU- 114 - HN    ASP- 113   4.89 +/- 0.41   9.002% * 30.7379% (0.45   3.21  21.33) =   4.340%  kept
          HB    ILE  119 - HN    ASP- 113   9.51 +/- 0.27   0.129% *  0.0909% (0.21   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP- 113  23.46 +/- 0.64   0.001% *  0.3573% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP- 113  23.94 +/- 1.27   0.000% *  0.3270% (0.76   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP- 113  25.29 +/- 0.52   0.000% *  0.3573% (0.84   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP- 113  22.68 +/- 1.42   0.001% *  0.1368% (0.32   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP- 113  23.93 +/- 0.24   0.001% *  0.1634% (0.38   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP- 113  28.03 +/- 0.65   0.000% *  0.1918% (0.45   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP- 113  26.73 +/- 0.36   0.000% *  0.0909% (0.21   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP- 113  33.12 +/- 0.33   0.000% *  0.3162% (0.74   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP- 113  28.11 +/- 0.50   0.000% *  0.1125% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.39, 8.43, 117.70 ppm):
    13 chemical-shift based assignments, quality = 0.651, support = 5.46, residual support = 15.4:
          HB2   LYS+ 112 - HN    ASP- 113   3.34 +/- 0.09  99.838% * 96.3266% (0.65   5.46  15.43) = 100.000%  kept
          HB3   PRO   93 - HN    ASP- 113  10.47 +/- 0.46   0.113% *  0.0712% (0.13   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP- 113  14.87 +/- 0.38   0.013% *  0.2985% (0.55   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP- 113  14.34 +/- 1.66   0.021% *  0.1732% (0.32   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ASP- 113  17.74 +/- 0.28   0.005% *  0.4259% (0.79   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ASP- 113  19.51 +/- 0.89   0.003% *  0.4259% (0.79   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP- 113  19.34 +/- 0.27   0.003% *  0.3170% (0.59   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ASP- 113  22.94 +/- 0.26   0.001% *  0.4002% (0.74   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP- 113  20.71 +/- 0.47   0.002% *  0.1897% (0.35   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP- 113  25.14 +/- 1.13   0.001% *  0.3854% (0.71   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ASP- 113  29.86 +/- 1.79   0.000% *  0.4259% (0.79   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ASP- 113  29.97 +/- 0.59   0.000% *  0.4453% (0.82   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP- 113  25.80 +/- 0.80   0.000% *  0.1151% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 688 (1.18, 8.43, 117.70 ppm):
    6 chemical-shift based assignments, quality = 0.741, support = 4.91, residual support = 15.4:
          HB3   LYS+ 112 - HN    ASP- 113   3.82 +/- 0.19  83.317% * 60.3963% (0.76   4.85  15.43) =  93.406%  kept
          HD2   LYS+ 112 - HN    ASP- 113   6.05 +/- 0.75   9.091% * 39.0249% (0.41   5.77  15.43) =   6.586%  kept
          QG2   VAL  107 - HN    ASP- 113   5.70 +/- 0.19   7.420% *  0.0550% (0.17   0.02   0.02) =   0.008%
          QG2   THR   94 - HN    ASP- 113  10.78 +/- 0.36   0.164% *  0.2411% (0.74   0.02   0.02) =   0.001%
          HG13  ILE  103 - HN    ASP- 113  18.35 +/- 0.53   0.007% *  0.1686% (0.52   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    ASP- 113  24.57 +/- 0.60   0.001% *  0.1142% (0.35   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 1 structures by 0.02 A, kept.
 
    Peak 689 (4.37, 8.16, 121.97 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 3.4, residual support = 21.3:
      O   HA    ASP- 113 - HN    GLU- 114   3.64 +/- 0.01  99.390% * 98.0926% (1.00   3.40  21.33) =  99.998%  kept
          HA    ILE   56 - HN    GLU- 114   9.16 +/- 0.29   0.403% *  0.3504% (0.61   0.02   0.02) =   0.001%
          HA    PHE   59 - HN    GLU- 114  10.40 +/- 0.26   0.186% *  0.3504% (0.61   0.02   0.02) =   0.001%
          HA    LEU  123 - HN    GLU- 114  16.14 +/- 0.29   0.013% *  0.2812% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  99 - HN    GLU- 114  21.03 +/- 0.31   0.003% *  0.4626% (0.80   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU- 114  19.07 +/- 0.45   0.005% *  0.0891% (0.15   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    GLU- 114  27.16 +/- 0.36   0.001% *  0.3737% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 690 (2.68, 8.16, 121.97 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 3.4, residual support = 21.3:
          QB    ASP- 113 - HN    GLU- 114   2.34 +/- 0.19  99.996% * 99.8646% (0.97   3.40  21.33) = 100.000%  kept
          HB2   ASP-  62 - HN    GLU- 114  13.19 +/- 0.37   0.004% *  0.1354% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 691 (2.32, 8.16, 121.97 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.61, residual support = 39.4:
          QG    GLU- 114 - HN    GLU- 114   2.02 +/- 0.41  99.992% * 97.8310% (0.84   4.61  39.38) = 100.000%  kept
          HG2   MET   92 - HN    GLU- 114  12.39 +/- 1.88   0.006% *  0.3879% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU- 114  13.45 +/- 0.75   0.002% *  0.4976% (0.98   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU- 114  24.14 +/- 0.86   0.000% *  0.4552% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    GLU- 114  32.91 +/- 0.87   0.000% *  0.3879% (0.76   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    GLU- 114  33.85 +/- 0.34   0.000% *  0.4403% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 692 (2.01, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 3.82, residual support = 18.4:
          HB2   LYS+ 111 - HN    GLU- 114   2.40 +/- 0.36  60.048% * 51.1254% (0.90   3.83   5.53) =  61.885%  kept
      O   QB    GLU- 114 - HN    GLU- 114   2.54 +/- 0.24  39.951% * 47.3279% (0.84   3.81  39.38) =  38.115%  kept
          HG2   PRO   68 - HN    GLU- 114  21.93 +/- 1.64   0.000% *  0.2044% (0.69   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU- 114  23.23 +/- 0.64   0.000% *  0.2814% (0.95   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU- 114  23.05 +/- 0.28   0.000% *  0.2274% (0.76   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU- 114  24.57 +/- 0.57   0.000% *  0.2814% (0.95   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU- 114  23.23 +/- 1.36   0.000% *  0.1804% (0.61   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU- 114  31.99 +/- 0.37   0.000% *  0.2975% (1.00   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    GLU- 114  26.87 +/- 0.69   0.000% *  0.0742% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 693 (1.52, 8.16, 121.97 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 1.47, residual support = 5.53:
          HB3   LYS+ 111 - HN    GLU- 114   3.32 +/- 0.35  99.786% * 93.1639% (0.92   1.47   5.53) =  99.998%  kept
          HB3   LYS+ 121 - HN    GLU- 114  10.99 +/- 0.74   0.092% *  1.3493% (0.98   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HN    GLU- 114  11.86 +/- 2.03   0.099% *  0.5659% (0.41   0.02   0.02) =   0.001%
          QD    LYS+  66 - HN    GLU- 114  16.24 +/- 0.82   0.009% *  1.1022% (0.80   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    GLU- 114  17.30 +/- 0.71   0.006% *  1.2345% (0.90   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    GLU- 114  17.55 +/- 0.38   0.005% *  1.3493% (0.98   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    GLU- 114  19.69 +/- 0.69   0.003% *  0.4695% (0.34   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    GLU- 114  22.47 +/- 0.42   0.001% *  0.3827% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    GLU- 114  27.82 +/- 1.22   0.000% *  0.3827% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 694 (1.10, 8.16, 121.97 ppm):
    5 chemical-shift based assignments, quality = 0.859, support = 1.22, residual support = 3.32:
          QG1   VAL  107 - HN    GLU- 114   4.85 +/- 0.19  89.677% * 33.7963% (0.84   1.11   3.85) =  83.889%  kept
          HD3   LYS+ 112 - HN    GLU- 114   7.19 +/- 0.30   8.969% * 64.8456% (0.98   1.81   0.59) =  16.099%  kept
          HG13  ILE  119 - HN    GLU- 114   9.83 +/- 0.37   1.342% *  0.3003% (0.41   0.02   0.02) =   0.011%
          QG1   VAL   24 - HN    GLU- 114  23.21 +/- 1.12   0.008% *  0.7304% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    GLU- 114  25.77 +/- 0.36   0.004% *  0.3274% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 1 structures by 0.08 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   3.00 +/- 0.30  99.984% * 96.9912% (0.57   3.86  14.95) = 100.000%  kept
          HA    GLN   30 - HN    GLY  101  14.29 +/- 0.96   0.012% *  0.5381% (0.61   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLY  101  16.62 +/- 0.59   0.004% *  0.5381% (0.61   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLY  101  25.54 +/- 0.87   0.000% *  0.8563% (0.97   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLY  101  25.66 +/- 0.67   0.000% *  0.6095% (0.69   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLY  101  28.42 +/- 0.53   0.000% *  0.4668% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 696 (3.54, 8.85, 104.25 ppm):
    3 chemical-shift based assignments, quality = 0.526, support = 2.86, residual support = 15.4:
      O   HA2   GLY  101 - HN    GLY  101   2.91 +/- 0.04  99.996% * 99.4114% (0.53   2.86  15.44) = 100.000%  kept
          HB2   TRP   27 - HN    GLY  101  16.28 +/- 0.91   0.004% *  0.2943% (0.22   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    GLY  101  23.49 +/- 0.43   0.000% *  0.2943% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 697 (3.82, 10.11, 128.03 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 6.39, residual support = 72.7:
      O   HA    GLU- 100 - HN    GLU- 100   2.22 +/- 0.09  99.997% * 98.1593% (0.57   6.39  72.68) = 100.000%  kept
          HA    GLN   30 - HN    GLU- 100  13.39 +/- 0.71   0.002% *  0.3292% (0.61   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    GLU- 100  18.21 +/- 0.64   0.000% *  0.3292% (0.61   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLU- 100  25.47 +/- 0.66   0.000% *  0.5238% (0.97   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    GLU- 100  25.12 +/- 0.37   0.000% *  0.3728% (0.69   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLU- 100  28.88 +/- 0.32   0.000% *  0.2856% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 698 (2.10, 10.11, 128.03 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 4.33, residual support = 72.7:
          HG3   GLU- 100 - HN    GLU- 100   2.72 +/- 0.34  99.977% * 97.4577% (0.69   4.33  72.68) = 100.000%  kept
          QB    GLN   32 - HN    GLU- 100  11.91 +/- 0.71   0.017% *  0.6418% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLU- 100  16.09 +/- 1.62   0.003% *  0.6418% (0.98   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU- 100  20.11 +/- 0.86   0.001% *  0.6194% (0.95   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    GLU- 100  19.90 +/- 2.05   0.001% *  0.1458% (0.22   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLU- 100  25.05 +/- 4.47   0.000% *  0.1296% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU- 100  24.55 +/- 0.41   0.000% *  0.1820% (0.28   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU- 100  26.73 +/- 0.70   0.000% *  0.1820% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 699 (1.76, 10.11, 128.03 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 5.61, residual support = 40.2:
          HB2   LYS+  99 - HN    GLU- 100   4.37 +/- 0.09  99.771% * 99.1246% (0.73   5.61  40.20) =  99.999%  kept
          HB    VAL   43 - HN    GLU- 100  12.25 +/- 0.29   0.210% *  0.4068% (0.84   0.02   0.02) =   0.001%
          HB    ILE   89 - HN    GLU- 100  18.99 +/- 0.45   0.015% *  0.0964% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLU- 100  24.08 +/- 0.53   0.004% *  0.3722% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.01 A, kept.
 
    Peak 700 (1.32, 10.11, 128.03 ppm):
    9 chemical-shift based assignments, quality = 0.897, support = 6.39, residual support = 40.2:
          HG2   LYS+  99 - HN    GLU- 100   3.06 +/- 0.25  98.810% * 98.3955% (0.90   6.39  40.20) =  99.996%  kept
          HG2   LYS+  38 - HN    GLU- 100   6.70 +/- 0.60   1.121% *  0.3314% (0.97   0.02   0.02) =   0.004%
          HB2   LEU   31 - HN    GLU- 100  11.47 +/- 0.89   0.046% *  0.1944% (0.57   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU- 100  15.22 +/- 0.66   0.008% *  0.3248% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLU- 100  16.07 +/- 0.62   0.005% *  0.1060% (0.31   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    GLU- 100  18.20 +/- 0.36   0.002% *  0.2083% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLU- 100  16.12 +/- 0.67   0.005% *  0.0764% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLU- 100  20.00 +/- 1.00   0.001% *  0.1412% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLU- 100  24.76 +/- 0.33   0.000% *  0.2221% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 702 (1.77, 8.33, 118.17 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 4.73, residual support = 171.6:
      O   HB2   LYS+  99 - HN    LYS+  99   2.92 +/- 0.15  99.904% * 98.8530% (0.99   4.73 171.63) = 100.000%  kept
          HB    VAL   43 - HN    LYS+  99  10.24 +/- 0.21   0.057% *  0.3987% (0.95   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   30  11.74 +/- 0.33   0.025% *  0.0262% (0.06   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    LYS+  99  22.52 +/- 0.53   0.001% *  0.4132% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+  99  20.62 +/- 0.57   0.001% *  0.2386% (0.57   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    GLN   30  14.93 +/- 0.77   0.006% *  0.0157% (0.04   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   30  17.07 +/- 0.75   0.003% *  0.0274% (0.07   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   30  16.94 +/- 0.40   0.003% *  0.0271% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 703 (1.41, 8.33, 118.17 ppm):
    24 chemical-shift based assignments, quality = 0.566, support = 3.61, residual support = 15.8:
          QB    LEU   98 - HN    LYS+  99   3.09 +/- 0.15  98.176% * 93.1635% (0.57   3.61  15.78) =  99.999%  kept
          HG12  ILE   19 - HN    GLN   30   7.29 +/- 0.54   0.650% *  0.0538% (0.06   0.02  13.86) =   0.000%
          HD3   LYS+ 121 - HN    LYS+  99  11.77 +/- 1.14   0.040% *  0.7914% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+  99  12.87 +/- 0.98   0.022% *  0.4090% (0.45   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    GLN   30   7.05 +/- 0.32   0.745% *  0.0092% (0.01   0.02   5.22) =   0.000%
          HG    LEU   73 - HN    LYS+  99  11.63 +/- 0.49   0.037% *  0.1408% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLN   30  10.16 +/- 0.75   0.090% *  0.0480% (0.05   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLN   30  10.90 +/- 0.53   0.057% *  0.0578% (0.06   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LYS+  99  17.17 +/- 0.48   0.003% *  0.8182% (0.90   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    GLN   30  11.08 +/- 0.32   0.050% *  0.0501% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+  99  18.04 +/- 0.45   0.003% *  0.7621% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+  99  18.92 +/- 0.81   0.002% *  0.8805% (0.97   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  99  17.63 +/- 0.31   0.003% *  0.5534% (0.61   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  99  18.63 +/- 0.32   0.002% *  0.7621% (0.84   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+  99  19.35 +/- 0.76   0.002% *  0.7305% (0.80   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    GLN   30  11.62 +/- 0.39   0.037% *  0.0339% (0.04   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    GLN   30  13.72 +/- 3.08   0.064% *  0.0185% (0.02   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+  99  16.87 +/- 0.55   0.004% *  0.2537% (0.28   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  99  22.14 +/- 2.28   0.001% *  0.2816% (0.31   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    GLN   30  16.52 +/- 0.41   0.004% *  0.0364% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    GLN   30  16.29 +/- 0.50   0.005% *  0.0269% (0.03   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLN   30  20.46 +/- 0.46   0.001% *  0.0501% (0.05   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    GLN   30  20.18 +/- 0.48   0.001% *  0.0167% (0.02   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLN   30  24.51 +/- 0.96   0.000% *  0.0520% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.01 A, kept.
 
    Peak 704 (0.72, 8.33, 118.17 ppm):
    10 chemical-shift based assignments, quality = 0.782, support = 3.12, residual support = 18.3:
          QD2   LEU  104 - HN    LYS+  99   3.18 +/- 0.31  81.802% * 46.3919% (0.80   2.96  18.76) =  83.608%  kept
          QD1   LEU   98 - HN    LYS+  99   4.40 +/- 0.32  14.016% * 53.0778% (0.69   3.94  15.78) =  16.390%  kept
          QD1   ILE   19 - HN    GLN   30   5.49 +/- 0.49   4.069% *  0.0167% (0.04   0.02  13.86) =   0.001%
          QD1   ILE   19 - HN    LYS+  99  15.60 +/- 0.39   0.006% *  0.2535% (0.65   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    LYS+  99  14.62 +/- 0.44   0.009% *  0.0872% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   98 - HN    GLN   30  11.67 +/- 0.39   0.038% *  0.0177% (0.05   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LYS+  99  17.49 +/- 0.45   0.003% *  0.1209% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    GLN   30  11.87 +/- 0.45   0.033% *  0.0057% (0.01   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    GLN   30  13.04 +/- 0.40   0.018% *  0.0079% (0.02   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    GLN   30  16.16 +/- 0.65   0.005% *  0.0206% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 706 (0.59, 8.33, 118.17 ppm):
    14 chemical-shift based assignments, quality = 0.833, support = 4.07, residual support = 18.2:
          QD1   LEU  104 - HN    LYS+  99   4.17 +/- 0.36  46.001% * 93.8391% (0.87   4.14  18.76) =  95.780%  kept
          QD1   LEU   73 - HN    GLN   30   4.08 +/- 0.23  51.280% *  3.7034% (0.06   2.49   5.22) =   4.214%  kept
          QD1   LEU   73 - HN    LYS+  99  10.16 +/- 0.45   0.240% *  0.4533% (0.87   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    LYS+  99  10.92 +/- 0.47   0.149% *  0.4533% (0.87   0.02   0.02) =   0.002%
          QD2   LEU   80 - HN    GLN   30   7.54 +/- 0.32   1.365% *  0.0340% (0.07   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    LYS+  99  11.29 +/- 0.87   0.133% *  0.1453% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  99  15.22 +/- 0.58   0.020% *  0.5214% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    GLN   30   8.56 +/- 0.55   0.713% *  0.0141% (0.03   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LYS+  99  15.84 +/- 0.84   0.016% *  0.5179% (0.99   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LYS+  99  14.47 +/- 0.54   0.028% *  0.2148% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    GLN   30  15.24 +/- 0.61   0.020% *  0.0298% (0.06   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    GLN   30  15.72 +/- 0.59   0.016% *  0.0298% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    GLN   30  16.41 +/- 0.71   0.013% *  0.0095% (0.02   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    GLN   30  20.26 +/- 0.50   0.004% *  0.0343% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 4.15, residual support = 11.2:
          HB3   PHE   97 - HN    LEU   98   3.80 +/- 0.05  99.474% * 97.6137% (0.65   4.15  11.23) =  99.997%  kept
          HB2   GLU- 100 - HN    LEU   98   9.38 +/- 0.37   0.456% *  0.6522% (0.90   0.02   0.02) =   0.003%
          QG    GLN   32 - HN    LEU   98  13.79 +/- 0.73   0.046% *  0.3826% (0.53   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    LEU   98  17.80 +/- 0.83   0.010% *  0.6074% (0.84   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    LEU   98  18.10 +/- 0.32   0.009% *  0.5823% (0.80   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   98  19.54 +/- 0.32   0.005% *  0.1619% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 708 (1.84, 9.69, 125.68 ppm):
    14 chemical-shift based assignments, quality = 0.698, support = 2.6, residual support = 19.7:
          HB    VAL   41 - HN    LEU   98   4.70 +/- 1.13  60.219% * 49.1391% (0.65   2.80  15.02) =  66.792%  kept
          HG12  ILE  103 - HN    LEU   98   5.26 +/- 0.54  30.758% * 47.7640% (0.80   2.20  29.05) =  33.160%  kept
          HB3   ASP- 105 - HN    LEU   98   7.02 +/- 0.37   3.878% *  0.2437% (0.45   0.02   0.50) =   0.021%
          HB    ILE  103 - HN    LEU   98   7.18 +/- 0.16   3.184% *  0.2859% (0.53   0.02  29.05) =   0.021%
          QB    LYS+ 106 - HN    LEU   98   8.07 +/- 0.33   1.598% *  0.1076% (0.20   0.02   0.02) =   0.004%
          QB    LYS+  33 - HN    LEU   98  12.09 +/- 0.42   0.136% *  0.1854% (0.34   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    LEU   98  12.80 +/- 0.56   0.102% *  0.2437% (0.45   0.02   0.02) =   0.001%
          HG    LEU  123 - HN    LEU   98  15.81 +/- 0.67   0.028% *  0.5327% (0.98   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   98  15.01 +/- 1.74   0.048% *  0.3077% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   98  21.14 +/- 0.32   0.005% *  0.5327% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   98  16.78 +/- 0.32   0.019% *  0.1210% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   98  18.36 +/- 0.66   0.011% *  0.1511% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LEU   98  18.22 +/- 0.26   0.012% *  0.1210% (0.22   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   98  23.23 +/- 0.60   0.003% *  0.2645% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 5 structures by 0.13 A, kept.
 
    Peak 709 (1.41, 9.69, 125.68 ppm):
    13 chemical-shift based assignments, quality = 0.835, support = 5.17, residual support = 83.8:
      O   QB    LEU   98 - HN    LEU   98   2.92 +/- 0.14  98.330% * 97.1155% (0.84   5.17  83.82) =  99.998%  kept
          HB    VAL   42 - HN    LEU   98   5.94 +/- 0.37   1.533% *  0.0788% (0.18   0.02   0.28) =   0.001%
          HD3   LYS+ 121 - HN    LEU   98  11.55 +/- 0.82   0.030% *  0.4489% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   98  10.37 +/- 0.77   0.053% *  0.1002% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   98  13.82 +/- 0.46   0.009% *  0.4459% (0.99   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   98  13.96 +/- 0.40   0.009% *  0.2911% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   98  16.02 +/- 0.88   0.004% *  0.4410% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   98  13.01 +/- 0.53   0.013% *  0.1002% (0.22   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   98  15.50 +/- 0.35   0.005% *  0.2547% (0.57   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   98  14.26 +/- 0.31   0.007% *  0.1535% (0.34   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   98  16.09 +/- 0.80   0.004% *  0.2367% (0.53   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   98  20.30 +/- 2.00   0.001% *  0.2547% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   98  17.45 +/- 0.50   0.002% *  0.0788% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (0.99, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 4.2, residual support = 9.38:
          QD2   LEU   40 - HN    LEU   98   2.52 +/- 0.25  97.727% * 98.1674% (0.97   4.20   9.38) =  99.994%  kept
          QG2   ILE  103 - HN    LEU   98   5.61 +/- 0.21   0.997% *  0.4206% (0.87   0.02  29.05) =   0.004%
          QD1   ILE  103 - HN    LEU   98   5.90 +/- 0.62   1.109% *  0.0960% (0.20   0.02  29.05) =   0.001%
          QD1   LEU   67 - HN    LEU   98   8.47 +/- 1.14   0.109% *  0.4587% (0.95   0.02   0.02) =   0.001%
          QD2   LEU   71 - HN    LEU   98   9.37 +/- 0.64   0.043% *  0.1348% (0.28   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    LEU   98  11.92 +/- 0.39   0.011% *  0.3521% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    LEU   98  14.68 +/- 0.79   0.003% *  0.3705% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 711 (0.73, 9.69, 125.68 ppm):
    7 chemical-shift based assignments, quality = 0.36, support = 4.49, residual support = 76.1:
          QD1   LEU   98 - HN    LEU   98   3.43 +/- 0.73  57.412% * 73.1269% (0.38   4.82  83.82) =  89.989%  kept
          QG1   VAL   43 - HN    LEU   98   4.09 +/- 0.42  22.626% * 10.8979% (0.28   0.97   0.02) =   5.285%  kept
          QG1   VAL   41 - HN    LEU   98   4.31 +/- 0.40  16.050% * 13.5427% (0.15   2.17  15.02) =   4.659%  kept
          QD2   LEU  104 - HN    LEU   98   5.62 +/- 0.60   3.824% *  0.8016% (0.99   0.02   4.66) =   0.066%
          QG2   VAL   18 - HN    LEU   98  11.19 +/- 0.47   0.052% *  0.3937% (0.49   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    LEU   98  12.86 +/- 0.32   0.022% *  0.7466% (0.92   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   98  13.90 +/- 0.47   0.014% *  0.4906% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 712 (0.58, 9.69, 125.68 ppm):
    9 chemical-shift based assignments, quality = 0.154, support = 4.68, residual support = 83.8:
          QD2   LEU   98 - HN    LEU   98   2.22 +/- 0.58  96.115% * 88.9981% (0.15   4.68  83.82) =  99.960%  kept
          QD1   LEU  104 - HN    LEU   98   5.28 +/- 0.47   1.654% *  0.7610% (0.31   0.02   4.66) =   0.015%
          QG2   VAL   41 - HN    LEU   98   4.96 +/- 0.39   1.785% *  0.6855% (0.28   0.02  15.02) =   0.014%
          QD1   LEU   63 - HN    LEU   98   7.94 +/- 0.51   0.190% *  2.2112% (0.90   0.02   0.02) =   0.005%
          QD1   LEU   73 - HN    LEU   98   7.56 +/- 0.47   0.138% *  2.2112% (0.90   0.02   0.02) =   0.004%
          QD2   LEU   63 - HN    LEU   98   8.76 +/- 0.83   0.101% *  2.0594% (0.84   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    LEU   98  12.61 +/- 0.59   0.009% *  1.3959% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   98  13.20 +/- 0.79   0.006% *  1.2972% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   98  14.27 +/- 1.35   0.003% *  0.3804% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 713 (2.99, 8.40, 123.79 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 4.85, residual support = 62.6:
      O   HB2   PHE   97 - HN    PHE   97   2.25 +/- 0.05  99.473% * 98.7272% (0.95   4.85  62.65) =  99.999%  kept
          QE    LYS+ 106 - HN    PHE   97   5.93 +/- 0.82   0.490% *  0.2266% (0.53   0.02  12.38) =   0.001%
          QE    LYS+  99 - HN    PHE   97   9.80 +/- 0.32   0.015% *  0.2612% (0.61   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    PHE   97   9.96 +/- 0.55   0.015% *  0.0754% (0.18   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    PHE   97  11.84 +/- 0.81   0.005% *  0.1469% (0.34   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   97  14.53 +/- 0.33   0.001% *  0.4157% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    PHE   97  16.63 +/- 0.42   0.001% *  0.1469% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 714 (2.62, 8.40, 123.79 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.6, residual support = 46.1:
          HG2   MET   96 - HN    PHE   97   4.07 +/- 0.08  99.978% * 99.8228% (0.98   5.60  46.12) = 100.000%  kept
          HB2   PRO   52 - HN    PHE   97  16.54 +/- 0.28   0.022% *  0.1772% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 715 (2.38, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.2, residual support = 62.6:
      O   HB3   PHE   97 - HN    PHE   97   3.46 +/- 0.06  98.111% * 96.5112% (0.34   5.20  62.65) =  99.994%  kept
          HB    VAL  107 - HN    PHE   97   6.77 +/- 0.25   1.813% *  0.3027% (0.28   0.02   0.75) =   0.006%
          HB2   GLU- 100 - HN    PHE   97  12.38 +/- 0.67   0.050% *  0.6604% (0.61   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    PHE   97  15.23 +/- 0.33   0.014% *  0.5300% (0.49   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   97  16.89 +/- 0.89   0.008% *  0.9094% (0.84   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   97  17.80 +/- 0.76   0.006% *  1.0863% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 716 (2.24, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.473, support = 5.43, residual support = 48.8:
          HB2   MET   96 - HN    PHE   97   4.07 +/- 0.07  84.353% * 35.2415% (0.31   6.07  46.12) =  75.555%  kept
          HB2   ASP- 105 - HN    PHE   97   5.43 +/- 0.20  15.191% * 63.3065% (0.98   3.44  57.21) =  24.443%  kept
          HG12  ILE  119 - HN    PHE   97  10.92 +/- 0.64   0.241% *  0.1545% (0.41   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    PHE   97  12.75 +/- 0.46   0.092% *  0.2873% (0.76   0.02   0.02) =   0.001%
          HG3   MET   92 - HN    PHE   97  16.86 +/- 0.55   0.017% *  0.3371% (0.90   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   97  13.03 +/- 0.85   0.086% *  0.0580% (0.15   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    PHE   97  17.85 +/- 0.28   0.012% *  0.3140% (0.84   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   97  19.35 +/- 0.54   0.007% *  0.3010% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 717 (1.90, 8.40, 123.79 ppm):
    8 chemical-shift based assignments, quality = 0.154, support = 6.07, residual support = 46.1:
          HB3   MET   96 - HN    PHE   97   4.49 +/- 0.06  99.629% * 91.3872% (0.15   6.07  46.12) =  99.995%  kept
          HB3   GLN   30 - HN    PHE   97  14.28 +/- 0.34   0.098% *  1.4160% (0.73   0.02   0.02) =   0.002%
          HB2   MET   92 - HN    PHE   97  15.12 +/- 0.53   0.070% *  1.6915% (0.87   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    PHE   97  14.19 +/- 0.30   0.102% *  0.7319% (0.38   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    PHE   97  17.02 +/- 0.30   0.034% *  1.9114% (0.98   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    PHE   97  15.63 +/- 0.52   0.057% *  1.0260% (0.53   0.02   0.02) =   0.001%
          HB3   GLU-  14 - HN    PHE   97  22.00 +/- 1.69   0.008% *  0.7319% (0.38   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   97  29.17 +/- 3.04   0.002% *  1.1040% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.17 A, kept.
 
    Peak 718 (1.00, 8.40, 123.79 ppm):
    6 chemical-shift based assignments, quality = 0.62, support = 1.56, residual support = 1.91:
          QG2   ILE  103 - HN    PHE   97   3.45 +/- 0.26  89.828% * 52.5424% (0.61   1.60   1.97) =  91.594%  kept
          QD2   LEU   40 - HN    PHE   97   5.16 +/- 0.29   9.649% * 44.8527% (0.76   1.09   1.24) =   8.399%  kept
          QD1   LEU   67 - HN    PHE   97   9.71 +/- 1.52   0.287% *  0.7855% (0.73   0.02   0.02) =   0.004%
          HB    VAL   75 - HN    PHE   97  11.80 +/- 0.40   0.059% *  1.0232% (0.95   0.02   0.02) =   0.001%
          QD1   ILE  119 - HN    PHE   97  10.32 +/- 0.85   0.159% *  0.2697% (0.25   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    PHE   97  14.66 +/- 0.77   0.018% *  0.5265% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 719 (2.52, 9.32, 123.66 ppm):
    5 chemical-shift based assignments, quality = 0.236, support = 4.0, residual support = 12.0:
          HB3   PHE   95 - HN    MET   96   3.60 +/- 0.09  99.207% * 95.7135% (0.24   4.00  11.99) =  99.991%  kept
          HB3   TRP   87 - HN    MET   96   8.15 +/- 0.28   0.757% *  1.0878% (0.54   0.02   0.02) =   0.009%
          HG3   GLN  116 - HN    MET   96  16.16 +/- 0.36   0.012% *  0.9352% (0.46   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    MET   96  14.84 +/- 0.38   0.020% *  0.3802% (0.19   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    MET   96  20.18 +/- 0.35   0.003% *  1.8833% (0.93   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 4.07, residual support = 115.5:
      O   HB2   MET   96 - HN    MET   96   2.75 +/- 0.10  99.800% * 98.0892% (0.94   4.07 115.55) = 100.000%  kept
          HB2   ASP- 105 - HN    MET   96   8.13 +/- 0.19   0.155% *  0.2167% (0.42   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    MET   96  11.20 +/- 0.33   0.023% *  0.3510% (0.69   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    MET   96  13.64 +/- 0.35   0.007% *  0.3320% (0.65   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    MET   96  14.49 +/- 0.50   0.005% *  0.3127% (0.61   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    MET   96  15.60 +/- 0.68   0.003% *  0.3694% (0.72   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    MET   96  13.79 +/- 0.38   0.006% *  0.0746% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    MET   96  19.28 +/- 0.27   0.001% *  0.2543% (0.50   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 721 (1.94, 9.32, 123.66 ppm):
    7 chemical-shift based assignments, quality = 0.574, support = 3.97, residual support = 115.5:
      O   HB3   MET   96 - HN    MET   96   2.57 +/- 0.11  99.961% * 97.5401% (0.57   3.97 115.55) = 100.000%  kept
          HB2   LEU   40 - HN    MET   96  11.57 +/- 0.40   0.012% *  0.7668% (0.89   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    MET   96  11.91 +/- 1.25   0.013% *  0.4265% (0.50   0.02   0.02) =   0.000%
          HB2   LEU   67 - HN    MET   96  11.96 +/- 0.98   0.011% *  0.2254% (0.26   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    MET   96  17.30 +/- 0.43   0.001% *  0.6491% (0.76   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   96  19.90 +/- 1.75   0.001% *  0.2502% (0.29   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   96  27.55 +/- 2.90   0.000% *  0.1420% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 722 (1.80, 9.32, 123.66 ppm):
    9 chemical-shift based assignments, quality = 0.187, support = 1.5, residual support = 16.4:
          HB    VAL   43 - HN    MET   96   3.18 +/- 0.23  99.731% * 76.2797% (0.19   1.50  16.41) =  99.990%  kept
          HG2   PRO   93 - HN    MET   96  10.50 +/- 0.30   0.086% *  2.5016% (0.46   0.02   0.02) =   0.003%
          HB2   LEU   71 - HN    MET   96  11.65 +/- 0.52   0.046% *  4.4580% (0.82   0.02   0.02) =   0.003%
          QB    LYS+ 102 - HN    MET   96  12.12 +/- 0.25   0.035% *  3.7319% (0.69   0.02   0.02) =   0.002%
          HB2   LYS+  99 - HN    MET   96  11.68 +/- 0.55   0.046% *  1.4289% (0.26   0.02   0.02) =   0.001%
          QB    LYS+  65 - HN    MET   96  14.07 +/- 0.27   0.015% *  4.2927% (0.79   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    MET   96  12.85 +/- 0.50   0.027% *  1.2815% (0.24   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    MET   96  16.57 +/- 0.24   0.005% *  4.7442% (0.87   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    MET   96  15.54 +/- 0.63   0.008% *  1.2815% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 723 (1.19, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.848, support = 1.32, residual support = 1.32:
          QG2   THR   94 - HN    MET   96   4.30 +/- 0.11  96.310% * 94.7446% (0.85   1.32   1.32) =  99.982%  kept
          HG12  ILE   89 - HN    MET   96   7.57 +/- 0.17   3.296% *  0.3552% (0.21   0.02   2.25) =   0.013%
          HB3   LEU   71 - HN    MET   96  12.10 +/- 0.87   0.219% *  1.5091% (0.89   0.02   0.02) =   0.004%
          HB3   LYS+ 112 - HN    MET   96  15.73 +/- 0.47   0.042% *  1.3838% (0.82   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - HN    MET   96  16.15 +/- 0.62   0.036% *  1.5637% (0.93   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    MET   96  13.62 +/- 0.42   0.096% *  0.4436% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 724 (0.75, 9.32, 123.66 ppm):
    6 chemical-shift based assignments, quality = 0.757, support = 2.96, residual support = 16.4:
          QG1   VAL   43 - HN    MET   96   4.01 +/- 0.35  96.322% * 96.6032% (0.76   2.96  16.41) =  99.974%  kept
          QG2   VAL   18 - HN    MET   96   9.12 +/- 0.59   0.905% *  0.7874% (0.91   0.02   0.02) =   0.008%
          QG1   VAL   41 - HN    MET   96   8.46 +/- 0.47   1.418% *  0.4949% (0.57   0.02   0.02) =   0.008%
          QG2   THR   46 - HN    MET   96   9.39 +/- 0.45   0.712% *  0.8141% (0.94   0.02   0.02) =   0.006%
          QD2   LEU  104 - HN    MET   96   9.90 +/- 0.58   0.522% *  0.5925% (0.69   0.02   0.02) =   0.003%
          QD1   ILE   19 - HN    MET   96  12.47 +/- 0.18   0.121% *  0.7078% (0.82   0.02   0.02) =   0.001%
    Distance limit 4.64 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 = 0.579, support = 0.0192, residual support = 0.122:
          QD1   LEU   63 - HN    MET   96   6.20 +/- 0.37  18.058% * 19.4267% (0.85   0.02   0.02) =  45.732%  kept
          QD2   LEU   98 - HN    MET   96   5.03 +/- 0.75  64.207% *  3.3423% (0.15   0.02   0.39) =  27.975%  kept
          QD2   LEU   63 - HN    MET   96   8.08 +/- 0.47   3.545% * 18.0932% (0.79   0.02   0.02) =   8.362%  kept
          QD1   LEU   73 - HN    MET   96   8.17 +/- 0.43   3.180% * 19.4267% (0.85   0.02   0.02) =   8.052%  kept
          QG2   VAL   41 - HN    MET   96   7.14 +/- 0.50   7.623% *  6.0227% (0.26   0.02   0.02) =   5.985%  kept
          QD2   LEU  115 - HN    MET   96   9.79 +/- 0.52   1.095% * 12.2638% (0.54   0.02   0.02) =   1.750%
          QD1   LEU  104 - HN    MET   96   9.55 +/- 0.48   1.301% *  6.6858% (0.29   0.02   0.02) =   1.134%
          QD2   LEU   80 - HN    MET   96  11.05 +/- 0.74   0.549% * 11.3966% (0.50   0.02   0.02) =   0.816%
          QD1   LEU   80 - HN    MET   96  11.79 +/- 1.39   0.442% *  3.3423% (0.15   0.02   0.02) =   0.193%
    Distance limit 4.60 A violated in 0 structures by 0.04 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 726 (0.10, 9.32, 123.66 ppm):
    3 chemical-shift based assignments, quality = 0.723, support = 0.75, residual support = 2.25:
          QD1   ILE   89 - HN    MET   96   4.56 +/- 0.09  96.206% * 97.8754% (0.72   0.75   2.25) =  99.959%  kept
          QG2   VAL   83 - HN    MET   96   8.95 +/- 0.33   1.750% *  1.6624% (0.46   0.02   0.02) =   0.031%
          QD2   LEU   31 - HN    MET   96   8.69 +/- 0.26   2.044% *  0.4622% (0.13   0.02   0.02) =   0.010%
    Distance limit 4.43 A violated in 1 structures by 0.13 A, kept.
 
    Peak 727 (3.21, 9.87, 125.46 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 3.86, residual support = 73.5:
      O   HB2   PHE   95 - HN    PHE   95   2.33 +/- 0.06 100.000% *100.0000% (0.87   3.86  73.52) = 100.000%  kept
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 728 (2.54, 9.87, 125.46 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.2, residual support = 73.5:
      O   HB3   PHE   95 - HN    PHE   95   3.56 +/- 0.04  99.940% * 99.3267% (0.98   4.20  73.52) = 100.000%  kept
          HG2   GLN  116 - HN    PHE   95  12.32 +/- 0.38   0.059% *  0.4568% (0.95   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HN    PHE   95  23.63 +/- 0.32   0.001% *  0.2165% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 729 (2.41, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 3.24, residual support = 40.9:
          HB    VAL  107 - HN    PHE   95   3.05 +/- 0.34  99.474% * 98.3885% (0.99   3.25  40.89) =  99.998%  kept
          HB3   PHE   45 - HN    PHE   95   7.76 +/- 0.23   0.440% *  0.4203% (0.69   0.02   1.89) =   0.002%
          QE    LYS+ 112 - HN    PHE   95  10.32 +/- 0.42   0.079% *  0.4203% (0.69   0.02   0.02) =   0.000%
          QG    GLU-  79 - HN    PHE   95  15.92 +/- 0.77   0.006% *  0.2296% (0.38   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   95  20.36 +/- 0.98   0.001% *  0.4203% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   95  23.40 +/- 0.59   0.001% *  0.1211% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 730 (1.18, 9.87, 125.46 ppm):
    6 chemical-shift based assignments, quality = 0.842, support = 3.96, residual support = 15.1:
          QG2   THR   94 - HN    PHE   95   2.43 +/- 0.19  84.115% * 81.9500% (0.87   3.98  14.14) =  96.259%  kept
          QG2   VAL  107 - HN    PHE   95   3.32 +/- 0.27  15.843% * 16.9091% (0.20   3.60  40.89) =   3.741%  kept
          HG13  ILE  103 - HN    PHE   95   9.11 +/- 0.33   0.033% *  0.2882% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HN    PHE   95  12.41 +/- 0.43   0.005% *  0.4261% (0.90   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HN    PHE   95  13.17 +/- 0.60   0.004% *  0.2313% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    PHE   95  16.14 +/- 0.83   0.001% *  0.1953% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 731 (3.96, 8.03, 115.19 ppm):
    12 chemical-shift based assignments, quality = 0.647, support = 3.08, residual support = 25.3:
      O   HB    THR   94 - HN    THR   94   2.71 +/- 0.14  99.828% * 93.8032% (0.65   3.08  25.27) =  99.999%  kept
          HD2   PRO   52 - HN    THR   94   8.77 +/- 0.11   0.091% *  0.3213% (0.34   0.02   0.02) =   0.000%
          QB    SER   85 - HN    THR   94  11.86 +/- 0.65   0.015% *  0.9089% (0.97   0.02   0.02) =   0.000%
          QB    SER   48 - HN    THR   94  11.64 +/- 0.39   0.016% *  0.7197% (0.76   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR   94  12.40 +/- 0.22   0.012% *  0.4584% (0.49   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    THR   94  10.72 +/- 0.72   0.027% *  0.1649% (0.18   0.02   0.02) =   0.000%
          QB    SER  117 - HN    THR   94  13.57 +/- 0.44   0.007% *  0.2348% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    THR   94  17.94 +/- 0.41   0.001% *  0.8694% (0.92   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    THR   94  18.07 +/- 0.44   0.001% *  0.8909% (0.95   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    THR   94  18.13 +/- 0.30   0.001% *  0.5332% (0.57   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    THR   94  20.55 +/- 0.56   0.001% *  0.9089% (0.97   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    THR   94  21.35 +/- 0.27   0.000% *  0.1864% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 732 (3.06, 8.03, 115.19 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 27.1:
          HB2   PHE   45 - HN    THR   94   2.82 +/- 0.26  99.948% * 98.8926% (0.95   2.96  27.12) = 100.000%  kept
          QE    LYS+ 111 - HN    THR   94  10.97 +/- 0.36   0.033% *  0.7071% (1.00   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    THR   94  11.92 +/- 0.31   0.020% *  0.4003% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 27.1:
          HB3   PHE   45 - HN    THR   94   4.15 +/- 0.24  94.143% * 91.6934% (0.57   1.50  27.12) =  99.964%  kept
          HB    VAL  107 - HN    THR   94   7.02 +/- 0.33   4.620% *  0.4274% (0.20   0.02   0.02) =   0.023%
          HG3   MET   96 - HN    THR   94   9.37 +/- 0.31   0.764% *  0.6004% (0.28   0.02   1.32) =   0.005%
          QE    LYS+ 112 - HN    THR   94  10.88 +/- 0.70   0.351% *  1.2226% (0.57   0.02   0.02) =   0.005%
          HB3   ASP-  86 - HN    THR   94  14.52 +/- 0.46   0.053% *  2.1403% (0.99   0.02   0.02) =   0.001%
          HB3   ASP-  62 - HN    THR   94  14.27 +/- 0.63   0.064% *  1.4833% (0.69   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HN    THR   94  22.19 +/- 0.65   0.004% *  2.1403% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    THR   94  25.27 +/- 1.15   0.002% *  0.2922% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.57 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 = 4.32, residual support = 15.4:
      O   HB2   PRO   93 - HN    THR   94   3.93 +/- 0.11  95.628% * 97.8047% (0.98   4.32  15.43) =  99.988%  kept
          HB    VAL  108 - HN    THR   94   8.04 +/- 0.90   2.172% *  0.3171% (0.69   0.02   0.02) =   0.007%
          HG3   PRO   52 - HN    THR   94   7.70 +/- 0.60   1.947% *  0.1898% (0.41   0.02   0.02) =   0.004%
          HB2   ARG+  54 - HN    THR   94  13.18 +/- 0.69   0.073% *  0.3527% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    THR   94  12.55 +/- 0.55   0.096% *  0.1898% (0.41   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   94  14.19 +/- 0.63   0.046% *  0.2069% (0.45   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    THR   94  16.61 +/- 0.44   0.017% *  0.2069% (0.45   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    THR   94  17.43 +/- 0.73   0.013% *  0.0913% (0.20   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    THR   94  22.31 +/- 2.07   0.004% *  0.2247% (0.49   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   94  22.48 +/- 0.29   0.003% *  0.1732% (0.38   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    THR   94  30.32 +/- 3.13   0.001% *  0.2428% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 735 (1.36, 8.03, 115.19 ppm):
    16 chemical-shift based assignments, quality = 0.897, support = 2.73, residual support = 15.4:
      O   HB3   PRO   93 - HN    THR   94   3.59 +/- 0.16  93.624% * 93.6227% (0.90   2.73  15.43) =  99.967%  kept
          HB3   ASP-  44 - HN    THR   94   6.11 +/- 0.41   4.279% *  0.3716% (0.49   0.02   0.02) =   0.018%
          QB    ALA   84 - HN    THR   94   7.27 +/- 0.42   1.515% *  0.6622% (0.87   0.02   0.02) =   0.011%
          HG3   LYS+ 106 - HN    THR   94  11.18 +/- 0.76   0.118% *  0.6622% (0.87   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    THR   94  11.39 +/- 0.24   0.095% *  0.4322% (0.57   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    THR   94  12.54 +/- 0.96   0.057% *  0.5834% (0.76   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    THR   94  12.31 +/- 0.34   0.061% *  0.4939% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   94  11.35 +/- 0.30   0.098% *  0.2865% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    THR   94  13.26 +/- 0.48   0.040% *  0.5834% (0.76   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    THR   94  11.85 +/- 1.29   0.087% *  0.2123% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    THR   94  17.17 +/- 0.71   0.008% *  0.4322% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    THR   94  20.06 +/- 0.79   0.003% *  0.5244% (0.69   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    THR   94  20.49 +/- 0.62   0.003% *  0.4939% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   94  17.52 +/- 0.42   0.007% *  0.1337% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    THR   94  21.00 +/- 0.48   0.002% *  0.3716% (0.49   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR   94  23.46 +/- 2.30   0.002% *  0.1337% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 736 (1.21, 8.03, 115.19 ppm):
    7 chemical-shift based assignments, quality = 0.341, support = 3.52, residual support = 25.3:
          QG2   THR   94 - HN    THR   94   3.88 +/- 0.06  97.219% * 94.3556% (0.34   3.52  25.27) =  99.964%  kept
          HG12  ILE   89 - HN    THR   94   7.26 +/- 0.39   2.350% *  1.2018% (0.76   0.02   5.50) =   0.031%
          HG3   LYS+ 111 - HN    THR   94  10.15 +/- 0.24   0.308% *  1.3135% (0.84   0.02   0.02) =   0.004%
          HD2   LYS+ 112 - HN    THR   94  14.09 +/- 0.67   0.046% *  1.1419% (0.73   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HN    THR   94  13.77 +/- 0.54   0.051% *  0.4854% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   71 - HN    THR   94  17.04 +/- 0.89   0.015% *  1.2592% (0.80   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    THR   94  17.50 +/- 0.73   0.012% *  0.2426% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 737 (0.64, 8.03, 115.19 ppm):
    2 chemical-shift based assignments, quality = 0.897, support = 0.75, residual support = 5.5:
          QG2   ILE   89 - HN    THR   94   3.63 +/- 0.40  99.899% * 99.1801% (0.90   0.75   5.50) =  99.999%  kept
          QG1   VAL   83 - HN    THR   94  12.03 +/- 0.70   0.101% *  0.8199% (0.28   0.02   0.02) =   0.001%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 738 (2.27, 8.46, 118.59 ppm):
    9 chemical-shift based assignments, quality = 0.154, support = 3.66, residual support = 60.1:
          HG3   MET   92 - HN    MET   92   3.44 +/- 0.35  97.321% * 45.6582% (0.14   3.74  61.72) =  97.426%  kept
          QG    GLN   90 - HN    MET   92   6.62 +/- 0.49   2.621% * 44.7564% (0.87   0.57   0.02) =   2.572%  kept
          HB2   ASP-  44 - HN    MET   92  12.90 +/- 0.35   0.042% *  1.7666% (0.98   0.02   0.02) =   0.002%
          HB3   PHE   72 - HN    MET   92  18.47 +/- 0.76   0.005% *  1.6637% (0.92   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    MET   92  17.55 +/- 0.65   0.007% *  0.9482% (0.53   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    MET   92  24.69 +/- 2.05   0.001% *  1.7393% (0.97   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   92  24.66 +/- 1.00   0.001% *  1.8023% (1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HN    MET   92  32.12 +/- 2.91   0.000% *  1.3087% (0.73   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    MET   92  24.28 +/- 0.84   0.001% *  0.3567% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 739 (1.89, 8.46, 118.59 ppm):
    11 chemical-shift based assignments, quality = 0.998, support = 3.65, residual support = 61.7:
      O   HB2   MET   92 - HN    MET   92   2.99 +/- 0.40  98.917% * 97.5256% (1.00   3.65  61.72) =  99.999%  kept
          HB3   GLN   90 - HN    MET   92   6.74 +/- 0.51   0.905% *  0.0937% (0.18   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    MET   92   9.90 +/- 0.40   0.086% *  0.3461% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    MET   92  10.53 +/- 0.63   0.068% *  0.1191% (0.22   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    MET   92  12.64 +/- 0.54   0.020% *  0.1334% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   92  18.04 +/- 0.39   0.002% *  0.5163% (0.97   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    MET   92  21.17 +/- 0.41   0.001% *  0.5061% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   92  30.31 +/- 0.45   0.000% *  0.4284% (0.80   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    MET   92  23.88 +/- 0.31   0.000% *  0.0724% (0.14   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    MET   92  27.95 +/- 2.01   0.000% *  0.0937% (0.18   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    MET   92  35.54 +/- 3.17   0.000% *  0.1651% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 740 (1.71, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.566, support = 3.96, residual support = 61.7:
      O   HB3   MET   92 - HN    MET   92   3.91 +/- 0.21  92.924% * 95.6704% (0.57   3.96  61.72) =  99.983%  kept
          HG3   PRO   93 - HN    MET   92   6.31 +/- 0.51   5.479% *  0.1688% (0.20   0.02   1.60) =   0.010%
          QG1   ILE   56 - HN    MET   92   9.55 +/- 0.37   0.451% *  0.6519% (0.76   0.02   0.02) =   0.003%
          HB    ILE   89 - HN    MET   92   8.35 +/- 0.33   0.992% *  0.2127% (0.25   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HN    MET   92  12.91 +/- 1.15   0.095% *  0.3824% (0.45   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    MET   92  14.58 +/- 0.99   0.037% *  0.7650% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    MET   92  16.66 +/- 0.34   0.016% *  0.6194% (0.73   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    MET   92  22.91 +/- 0.26   0.002% *  0.7875% (0.92   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    MET   92  23.96 +/- 0.47   0.002% *  0.5518% (0.65   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    MET   92  25.60 +/- 0.50   0.001% *  0.1899% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 741 (1.25, 8.46, 118.59 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 3.03, residual support = 8.96:
          QB    ALA   91 - HN    MET   92   3.03 +/- 0.31  99.628% * 96.1594% (1.00   3.03   8.96) =  99.998%  kept
          QG2   ILE   56 - HN    MET   92   7.93 +/- 0.35   0.347% *  0.4364% (0.69   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HN    MET   92  13.09 +/- 0.82   0.016% *  0.4110% (0.65   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    MET   92  16.23 +/- 0.39   0.005% *  0.1257% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    MET   92  19.75 +/- 0.25   0.001% *  0.3093% (0.49   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    MET   92  22.52 +/- 0.22   0.001% *  0.6340% (1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    MET   92  22.08 +/- 0.48   0.001% *  0.5511% (0.87   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    MET   92  23.85 +/- 0.77   0.000% *  0.3854% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    MET   92  26.18 +/- 0.61   0.000% *  0.4364% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    MET   92  30.94 +/- 0.81   0.000% *  0.5511% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 742 (3.88, 7.72, 122.85 ppm):
    12 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 7.83:
          HA    ILE   89 - HN    ALA   91   3.54 +/- 0.44  99.689% * 96.1989% (0.61   2.49   7.83) = 100.000%  kept
          HB    THR  118 - HN    ALA   91  16.12 +/- 0.94   0.017% *  1.2059% (0.95   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ALA   91  13.71 +/- 0.86   0.036% *  0.2233% (0.18   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    TRP   27  10.83 +/- 0.83   0.162% *  0.0276% (0.02   0.02   0.02) =   0.000%
          QB    SER   13 - HN    TRP   27  15.58 +/- 2.76   0.043% *  0.0648% (0.05   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    TRP   27  15.18 +/- 0.36   0.020% *  0.0955% (0.07   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    TRP   27  16.02 +/- 0.35   0.014% *  0.0955% (0.07   0.02   0.02) =   0.000%
          HB    THR   39 - HN    TRP   27  15.62 +/- 0.41   0.016% *  0.0706% (0.06   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ALA   91  24.65 +/- 0.49   0.001% *  0.5715% (0.45   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ALA   91  26.13 +/- 0.57   0.001% *  0.7732% (0.61   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ALA   91  27.60 +/- 1.42   0.001% *  0.5241% (0.41   0.02   0.02) =   0.000%
          HB    THR  118 - HN    TRP   27  23.48 +/- 0.31   0.001% *  0.1490% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 743 (2.17, 7.72, 122.85 ppm):
    14 chemical-shift based assignments, quality = 0.726, support = 4.97, residual support = 32.7:
          HB2   GLN   90 - HN    ALA   91   4.01 +/- 0.24  62.186% * 98.1095% (0.73   4.97  32.73) =  99.981%  kept
          HG3   GLU-  29 - HN    TRP   27   5.60 +/- 0.33   8.797% *  0.0603% (0.11   0.02   0.02) =   0.009%
          HB3   GLU-  29 - HN    TRP   27   5.81 +/- 0.86  11.214% *  0.0354% (0.07   0.02   0.02) =   0.006%
          HB2   GLU-  25 - HN    TRP   27   5.00 +/- 0.16  16.902% *  0.0133% (0.02   0.02   0.02) =   0.004%
          HB3   GLU-  79 - HN    TRP   27   8.51 +/- 0.68   0.769% *  0.0133% (0.02   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   91  12.77 +/- 1.14   0.067% *  0.1076% (0.20   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   91  23.16 +/- 0.77   0.002% *  0.4877% (0.90   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    TRP   27  13.65 +/- 0.26   0.041% *  0.0168% (0.03   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    TRP   27  17.33 +/- 1.51   0.011% *  0.0488% (0.09   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ALA   91  23.26 +/- 1.10   0.002% *  0.2861% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    TRP   27  19.54 +/- 0.26   0.005% *  0.0636% (0.12   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ALA   91  21.39 +/- 0.79   0.003% *  0.1076% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ALA   91  28.23 +/- 0.71   0.001% *  0.5145% (0.95   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    ALA   91  25.60 +/- 0.45   0.001% *  0.1356% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 744 (1.86, 7.72, 122.85 ppm):
    28 chemical-shift based assignments, quality = 0.991, support = 4.97, residual support = 32.7:
          HB3   GLN   90 - HN    ALA   91   3.30 +/- 0.30  86.748% * 96.1758% (0.99   4.97  32.73) =  99.991%  kept
          HB2   MET   92 - HN    ALA   91   5.26 +/- 0.77   8.510% *  0.0603% (0.15   0.02   8.96) =   0.006%
          QB    LYS+  81 - HN    ALA   91   8.74 +/- 1.09   0.347% *  0.3770% (0.97   0.02   0.02) =   0.002%
          HB3   GLN   30 - HN    TRP   27   5.75 +/- 0.65   3.910% *  0.0120% (0.03   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HN    ALA   91  10.51 +/- 0.90   0.103% *  0.3695% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    TRP   27   9.49 +/- 0.53   0.182% *  0.0483% (0.12   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   91  12.19 +/- 0.65   0.039% *  0.2211% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ALA   91  10.87 +/- 0.38   0.076% *  0.0974% (0.25   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   91  16.51 +/- 0.55   0.007% *  0.3770% (0.97   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   91  16.38 +/- 0.57   0.006% *  0.3695% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   91  16.80 +/- 0.82   0.006% *  0.3829% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    TRP   27  12.02 +/- 0.36   0.042% *  0.0466% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ALA   91  22.31 +/- 0.62   0.001% *  0.3906% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    TRP   27  17.64 +/- 1.71   0.005% *  0.0478% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   91  19.54 +/- 0.68   0.002% *  0.0974% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    TRP   27  17.95 +/- 0.36   0.004% *  0.0457% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   91  28.07 +/- 1.54   0.000% *  0.3606% (0.92   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    TRP   27  19.58 +/- 0.37   0.002% *  0.0457% (0.12   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    TRP   27  21.04 +/- 0.50   0.001% *  0.0473% (0.12   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ALA   91  24.66 +/- 1.05   0.001% *  0.0974% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   91  27.86 +/- 0.55   0.000% *  0.1606% (0.41   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    TRP   27  19.59 +/- 0.31   0.002% *  0.0198% (0.05   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    TRP   27  23.22 +/- 0.52   0.001% *  0.0446% (0.11   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    TRP   27  21.35 +/- 0.34   0.001% *  0.0273% (0.07   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    TRP   27  23.61 +/- 1.17   0.001% *  0.0466% (0.12   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    TRP   27  20.79 +/- 0.63   0.002% *  0.0074% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    TRP   27  23.30 +/- 0.40   0.001% *  0.0120% (0.03   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    TRP   27  27.60 +/- 0.54   0.000% *  0.0120% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 745 (1.26, 7.72, 122.85 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 3.08, residual support = 12.4:
      O   QB    ALA   91 - HN    ALA   91   2.37 +/- 0.14  99.415% * 95.5711% (0.92   3.08  12.43) = 100.000%  kept
          QG2   THR   23 - HN    TRP   27   5.86 +/- 0.18   0.489% *  0.0342% (0.05   0.02   2.03) =   0.000%
          QG2   ILE   56 - HN    ALA   91   9.52 +/- 0.47   0.025% *  0.6215% (0.92   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    TRP   27   9.56 +/- 0.26   0.024% *  0.0636% (0.09   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    TRP   27  10.02 +/- 0.27   0.019% *  0.0505% (0.07   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ALA   91  13.50 +/- 0.74   0.003% *  0.2527% (0.38   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   91  15.51 +/- 0.79   0.001% *  0.2768% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    TRP   27  10.96 +/- 0.69   0.011% *  0.0312% (0.05   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   91  18.02 +/- 0.41   0.001% *  0.5145% (0.76   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    TRP   27  12.04 +/- 1.13   0.007% *  0.0284% (0.04   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    TRP   27  14.66 +/- 0.42   0.002% *  0.0768% (0.11   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   91  21.24 +/- 0.49   0.000% *  0.6215% (0.92   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    TRP   27  15.82 +/- 0.27   0.001% *  0.0768% (0.11   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   91  21.83 +/- 0.59   0.000% *  0.4083% (0.61   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    TRP   27  16.93 +/- 0.32   0.001% *  0.0768% (0.11   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    TRP   27  18.88 +/- 0.45   0.000% *  0.0830% (0.12   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   91  22.68 +/- 1.02   0.000% *  0.2297% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   91  23.87 +/- 0.79   0.000% *  0.2768% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   91  28.36 +/- 0.98   0.000% *  0.6718% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    TRP   27  20.11 +/- 1.10   0.000% *  0.0342% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 748 (4.63, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.175, support = 5.27, residual support = 160.0:
      O   HA    LYS+ 102 - HN    LYS+ 102   2.93 +/- 0.00  99.992% * 97.0353% (0.18   5.27 160.03) = 100.000%  kept
          HA    LEU   71 - HN    LYS+ 102  14.59 +/- 1.11   0.007% *  0.8651% (0.41   0.02   0.02) =   0.000%
          HA    ALA   20 - HN    LYS+ 102  21.51 +/- 1.09   0.001% *  2.0996% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 749 (4.15, 7.76, 120.90 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 3.13, residual support = 12.5:
      O   HA1   GLY  101 - HN    LYS+ 102   3.26 +/- 0.15  99.924% * 96.2283% (0.61   3.13  12.53) = 100.000%  kept
          HA    ALA   34 - HN    LYS+ 102  11.61 +/- 1.29   0.055% *  0.4165% (0.41   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+ 102  15.20 +/- 1.39   0.010% *  0.2526% (0.25   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+ 102  19.57 +/- 0.45   0.002% *  0.7742% (0.76   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+ 102  20.71 +/- 1.33   0.002% *  1.0041% (0.99   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+ 102  17.97 +/- 0.35   0.004% *  0.2817% (0.28   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+ 102  20.74 +/- 1.21   0.002% *  0.3127% (0.31   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+ 102  24.07 +/- 0.54   0.001% *  0.5736% (0.57   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    LYS+ 102  21.00 +/- 1.33   0.001% *  0.1563% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 750 (3.54, 7.76, 120.90 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 3.13, residual support = 12.5:
      O   HA2   GLY  101 - HN    LYS+ 102   3.18 +/- 0.53  99.994% * 97.9823% (0.28   3.13  12.53) = 100.000%  kept
          HB2   TRP   27 - HN    LYS+ 102  17.84 +/- 1.24   0.005% *  1.0089% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    LYS+ 102  22.96 +/- 0.35   0.001% *  1.0089% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 751 (2.01, 7.76, 120.90 ppm):
    9 chemical-shift based assignments, quality = 0.795, support = 0.02, residual support = 0.02:
          QB    GLU- 114 - HN    LYS+ 102  16.72 +/- 0.48  23.258% * 12.0512% (0.84   0.02   0.02) =  26.853%  kept
          QB    GLU-  15 - HN    LYS+ 102  18.31 +/- 1.77  14.344% * 13.6482% (0.95   0.02   0.02) =  18.756%  kept
          HB    ILE   19 - HN    LYS+ 102  18.01 +/- 1.22  14.835% * 11.0262% (0.76   0.02   0.02) =  15.671%  kept
          HG2   PRO   68 - HN    LYS+ 102  19.19 +/- 2.48  12.692% *  9.9106% (0.69   0.02   0.02) =  12.051%  kept
          HB3   PRO   68 - HN    LYS+ 102  19.79 +/- 1.33   8.307% *  8.7509% (0.61   0.02   0.02) =   6.965%  kept
          HG3   GLN   30 - HN    LYS+ 102  17.89 +/- 1.31  15.557% *  3.5976% (0.25   0.02   0.02) =   5.362%  kept
          HB2   LYS+ 111 - HN    LYS+ 102  22.25 +/- 0.60   4.229% * 12.9393% (0.90   0.02   0.02) =   5.243%  kept
          HB2   GLN   17 - HN    LYS+ 102  22.69 +/- 1.08   3.602% * 13.6482% (0.95   0.02   0.02) =   4.709%  kept
          HB3   GLU-  25 - HN    LYS+ 102  23.25 +/- 1.36   3.176% * 14.4279% (1.00   0.02   0.02) =   4.390%  kept
    Distance limit 4.44 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 = 4.76, residual support = 160.0:
      O   QB    LYS+ 102 - HN    LYS+ 102   2.60 +/- 0.09  99.072% * 97.7063% (0.98   4.76 160.03) =  99.998%  kept
          HG12  ILE  103 - HN    LYS+ 102   5.89 +/- 0.44   0.811% *  0.1878% (0.45   0.02  22.69) =   0.002%
          HB    VAL   41 - HN    LYS+ 102   8.91 +/- 1.56   0.105% *  0.2540% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+ 102  12.59 +/- 1.27   0.009% *  0.3756% (0.90   0.02   0.02) =   0.000%
          QB    LYS+  66 - HN    LYS+ 102  17.25 +/- 0.68   0.001% *  0.3354% (0.80   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LYS+ 102  20.30 +/- 0.66   0.000% *  0.3866% (0.92   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+ 102  22.52 +/- 0.35   0.000% *  0.4106% (0.98   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+ 102  19.69 +/- 0.66   0.001% *  0.0933% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LYS+ 102  22.86 +/- 1.09   0.000% *  0.1572% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+ 102  26.88 +/- 0.39   0.000% *  0.0933% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 753 (1.42, 7.76, 120.90 ppm):
    12 chemical-shift based assignments, quality = 0.278, support = 3.97, residual support = 121.8:
          HG2   LYS+ 102 - HN    LYS+ 102   3.66 +/- 0.25  61.258% * 61.7053% (0.28   4.51 160.03) =  75.925%  kept
          QB    LEU   98 - HN    LYS+ 102   4.15 +/- 0.78  38.652% * 31.0077% (0.28   2.27   1.07) =  24.074%  kept
          HD3   LYS+ 121 - HN    LYS+ 102  13.27 +/- 1.18   0.036% *  0.5569% (0.57   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+ 102  13.50 +/- 1.22   0.025% *  0.3692% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+ 102  15.21 +/- 1.14   0.012% *  0.7518% (0.76   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LYS+ 102  18.99 +/- 1.28   0.003% *  0.9815% (1.00   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+ 102  19.68 +/- 0.67   0.002% *  0.8822% (0.90   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+ 102  20.29 +/- 0.39   0.002% *  0.9815% (1.00   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LYS+ 102  20.51 +/- 0.89   0.002% *  0.9750% (0.99   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+ 102  19.85 +/- 1.08   0.002% *  0.7143% (0.73   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LYS+ 102  19.02 +/- 0.69   0.003% *  0.5569% (0.57   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 102  20.10 +/- 1.03   0.002% *  0.5176% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.755, support = 0.867, residual support = 0.552:
          QD2   LEU  104 - HN    LYS+ 102   3.90 +/- 0.48  74.447% * 40.7173% (0.95   0.36   0.38) =  75.206%  kept
          QD1   LEU   98 - HN    LYS+ 102   5.33 +/- 0.85  19.534% * 50.8872% (0.18   2.42   1.07) =  24.662%  kept
          QG1   VAL   41 - HN    LYS+ 102   6.72 +/- 1.02   5.213% *  0.8190% (0.34   0.02   0.02) =   0.106%
          QG1   VAL   43 - HN    LYS+ 102   8.79 +/- 0.74   0.772% *  1.2632% (0.53   0.02   0.02) =   0.024%
          QD1   ILE   19 - HN    LYS+ 102  17.02 +/- 1.10   0.013% *  2.3957% (1.00   0.02   0.02) =   0.001%
          QG2   VAL   18 - HN    LYS+ 102  16.60 +/- 0.83   0.015% *  1.8349% (0.76   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    LYS+ 102  19.11 +/- 0.87   0.006% *  2.0827% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 755 (3.88, 8.62, 127.39 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.23, residual support = 38.7:
      O   HA    ILE   89 - HN    GLN   90   2.55 +/- 0.30  99.983% * 98.6485% (0.61   6.23  38.74) = 100.000%  kept
          HB3   SER   82 - HN    GLN   90  12.15 +/- 0.95   0.015% *  0.0915% (0.18   0.02   0.02) =   0.000%
          HB    THR  118 - HN    GLN   90  15.97 +/- 0.68   0.002% *  0.4942% (0.95   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   90  22.88 +/- 0.67   0.000% *  0.2342% (0.45   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   90  24.25 +/- 0.65   0.000% *  0.3169% (0.61   0.02   0.02) =   0.000%
          QB    SER   13 - HN    GLN   90  26.00 +/- 1.31   0.000% *  0.2148% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 756 (2.26, 8.62, 127.39 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 5.67, residual support = 89.6:
          QG    GLN   90 - HN    GLN   90   2.73 +/- 0.57  99.550% * 97.8070% (0.90   5.67  89.58) =  99.999%  kept
          HG3   MET   92 - HN    GLN   90   8.44 +/- 0.84   0.395% *  0.2332% (0.61   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    GLN   90  11.52 +/- 0.98   0.042% *  0.2792% (0.73   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLN   90  16.63 +/- 1.28   0.004% *  0.3212% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLN   90  17.63 +/- 0.74   0.002% *  0.3811% (0.99   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLN   90  15.76 +/- 0.76   0.005% *  0.0959% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLN   90  20.60 +/- 1.24   0.001% *  0.2792% (0.73   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLN   90  23.10 +/- 2.32   0.001% *  0.2939% (0.76   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    GLN   90  22.63 +/- 1.62   0.001% *  0.2332% (0.61   0.02   0.02) =   0.000%
          QB    MET   11 - HN    GLN   90  30.13 +/- 2.74   0.000% *  0.0761% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 758 (1.87, 8.62, 127.39 ppm):
    13 chemical-shift based assignments, quality = 0.923, support = 5.58, residual support = 89.6:
      O   HB3   GLN   90 - HN    GLN   90   3.64 +/- 0.18  94.898% * 96.8573% (0.92   5.58  89.58) =  99.988%  kept
          QB    LYS+  81 - HN    GLN   90   7.87 +/- 1.11   1.347% *  0.3630% (0.97   0.02   0.02) =   0.005%
          HB2   MET   92 - HN    GLN   90   6.81 +/- 0.85   3.389% *  0.1412% (0.38   0.02   0.02) =   0.005%
          QB    LYS+ 106 - HN    GLN   90  10.12 +/- 0.93   0.248% *  0.3687% (0.98   0.02   0.02) =   0.001%
          HB    ILE   56 - HN    GLN   90  12.44 +/- 0.37   0.061% *  0.3263% (0.87   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   90  15.39 +/- 0.60   0.017% *  0.2584% (0.69   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   90  16.09 +/- 0.67   0.013% *  0.2875% (0.76   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   90  16.84 +/- 0.73   0.010% *  0.2732% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    GLN   90  17.49 +/- 1.10   0.009% *  0.1979% (0.53   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    GLN   90  20.50 +/- 0.95   0.003% *  0.3263% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   90  19.77 +/- 0.36   0.004% *  0.0837% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   90  26.14 +/- 0.59   0.001% *  0.2732% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   90  26.84 +/- 1.47   0.001% *  0.2433% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 1 structures by 0.13 A, kept.
 
    Peak 759 (0.64, 8.62, 127.39 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 7.08, residual support = 38.7:
          QG2   ILE   89 - HN    GLN   90   2.03 +/- 0.33 100.000% *100.0000% (0.65   7.08  38.74) = 100.000%  kept
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 760 (0.11, 8.62, 127.39 ppm):
    4 chemical-shift based assignments, quality = 0.487, support = 5.67, residual support = 38.7:
          QD1   ILE   89 - HN    GLN   90   4.06 +/- 0.12  97.409% * 99.5292% (0.49   5.67  38.74) =  99.995%  kept
          QG2   VAL   83 - HN    GLN   90   8.28 +/- 0.75   1.577% *  0.1798% (0.25   0.02   0.02) =   0.003%
          QG2   VAL   75 - HN    GLN   90   9.13 +/- 1.10   0.935% *  0.1798% (0.25   0.02   0.02) =   0.002%
          QG2   VAL   42 - HN    GLN   90  13.40 +/- 0.66   0.080% *  0.1113% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 761 (3.98, 7.91, 118.70 ppm):
    13 chemical-shift based assignments, quality = 0.991, support = 4.12, residual support = 7.03:
      O   HA    ALA   88 - HN    ILE   89   3.15 +/- 0.06  95.355% * 97.1623% (0.99   4.12   7.03) =  99.994%  kept
          QB    SER   85 - HN    ILE   89   5.28 +/- 0.31   4.546% *  0.1060% (0.22   0.02   0.02) =   0.005%
          HB2   SER   82 - HN    ILE   89  10.44 +/- 0.25   0.072% *  0.3081% (0.65   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ILE   89  15.32 +/- 0.57   0.007% *  0.4596% (0.97   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ILE   89  15.04 +/- 0.28   0.008% *  0.4131% (0.87   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ILE   89  19.09 +/- 0.34   0.002% *  0.4668% (0.98   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ILE   89  18.22 +/- 0.41   0.003% *  0.2696% (0.57   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ILE   89  19.13 +/- 0.34   0.002% *  0.2505% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ILE   89  21.95 +/- 0.38   0.001% *  0.1787% (0.38   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ILE   89  20.73 +/- 0.35   0.001% *  0.0735% (0.15   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ILE   89  21.07 +/- 0.39   0.001% *  0.0735% (0.15   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ILE   89  24.21 +/- 0.35   0.000% *  0.1324% (0.28   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ILE   89  25.35 +/- 0.77   0.000% *  0.1060% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 762 (3.89, 7.91, 118.70 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.99, residual support = 214.5:
      O   HA    ILE   89 - HN    ILE   89   2.89 +/- 0.04  99.993% * 98.3537% (0.34   5.99 214.55) = 100.000%  kept
          HB    THR  118 - HN    ILE   89  16.59 +/- 0.44   0.003% *  0.6989% (0.73   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    ILE   89  16.61 +/- 0.36   0.003% *  0.2143% (0.22   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE   89  22.08 +/- 0.54   0.001% *  0.3283% (0.34   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE   89  20.98 +/- 0.34   0.001% *  0.2143% (0.22   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE   89  25.60 +/- 2.00   0.000% *  0.1905% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (1.75, 7.91, 118.70 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 5.56, residual support = 214.5:
      O   HB    ILE   89 - HN    ILE   89   2.70 +/- 0.10  99.830% * 98.9012% (0.45   5.56 214.55) =  99.999%  kept
          HB    VAL   43 - HN    ILE   89   8.48 +/- 0.33   0.110% *  0.4172% (0.53   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    ILE   89   9.65 +/- 0.66   0.058% *  0.3555% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ILE   89  18.22 +/- 0.45   0.001% *  0.3260% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 5.72, residual support = 214.5:
          HG12  ILE   89 - HN    ILE   89   1.89 +/- 0.06  99.941% * 97.9003% (0.76   5.72 214.55) = 100.000%  kept
          QB    ALA   91 - HN    ILE   89   6.95 +/- 0.84   0.058% *  0.1383% (0.31   0.02   7.83) =   0.000%
          HG2   LYS+  74 - HN    ILE   89  13.26 +/- 0.53   0.001% *  0.3887% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   89  15.72 +/- 0.48   0.000% *  0.3078% (0.69   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   89  19.65 +/- 0.94   0.000% *  0.4018% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   89  20.05 +/- 0.52   0.000% *  0.3743% (0.84   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   89  19.90 +/- 0.38   0.000% *  0.2899% (0.65   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   89  18.47 +/- 0.26   0.000% *  0.1383% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   89  23.64 +/- 1.03   0.000% *  0.0606% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 6.33, residual support = 214.5:
          QG2   ILE   89 - HN    ILE   89   3.77 +/- 0.03  98.512% * 99.7855% (1.00   6.33 214.55) =  99.998%  kept
          QG1   VAL   83 - HN    ILE   89   7.81 +/- 0.47   1.468% *  0.1658% (0.53   0.02   0.02) =   0.002%
          QD1   LEU  104 - HN    ILE   89  15.69 +/- 0.44   0.019% *  0.0486% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (-0.07, 7.91, 118.70 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 5.51, residual support = 214.5:
          HG13  ILE   89 - HN    ILE   89   3.16 +/- 0.25 100.000% *100.0000% (0.90   5.51 214.55) = 100.000%  kept
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 768 (3.99, 7.82, 121.71 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 1.63, residual support = 11.2:
      O   HA    ALA   88 - HN    ALA   88   2.22 +/- 0.01  99.987% * 91.6032% (0.84   1.63  11.25) = 100.000%  kept
          HB2   SER   82 - HN    ALA   88  10.19 +/- 0.12   0.011% *  1.2050% (0.90   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   88  17.54 +/- 0.44   0.000% *  1.3170% (0.98   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   88  17.49 +/- 0.26   0.000% *  0.8149% (0.61   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ALA   88  18.74 +/- 0.40   0.000% *  1.0759% (0.80   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    ALA   88  19.20 +/- 0.33   0.000% *  1.0759% (0.80   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   88  19.87 +/- 0.41   0.000% *  1.1223% (0.84   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    ALA   88  22.01 +/- 0.43   0.000% *  0.8692% (0.65   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    ALA   88  21.51 +/- 0.53   0.000% *  0.4583% (0.34   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   88  22.74 +/- 0.56   0.000% *  0.4583% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 769 (1.33, 7.82, 121.71 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 1.88, residual support = 11.2:
      O   QB    ALA   88 - HN    ALA   88   2.91 +/- 0.03  96.093% * 91.3888% (0.73   1.88  11.25) =  99.989%  kept
          QB    ALA   84 - HN    ALA   88   5.10 +/- 0.29   3.566% *  0.2063% (0.15   0.02   0.02) =   0.008%
          QG2   THR   77 - HN    ALA   88   8.07 +/- 0.35   0.222% *  0.4561% (0.34   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    ALA   88   9.94 +/- 0.93   0.069% *  0.9184% (0.69   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    ALA   88  11.24 +/- 0.82   0.032% *  0.2977% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   88  14.99 +/- 0.37   0.005% *  1.1168% (0.84   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   88  14.24 +/- 0.45   0.007% *  0.5994% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   88  16.94 +/- 0.56   0.003% *  1.1991% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   88  19.83 +/- 0.56   0.001% *  1.3371% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   88  19.65 +/- 0.51   0.001% *  0.7570% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ALA   88  22.78 +/- 0.92   0.000% *  1.3106% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   88  25.47 +/- 0.69   0.000% *  0.4127% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (3.42, 7.69, 117.92 ppm):
    4 chemical-shift based assignments, quality = 0.726, support = 3.84, residual support = 65.7:
      O   HB2   TRP   87 - HN    TRP   87   3.59 +/- 0.03  99.962% * 99.1873% (0.73   3.84  65.65) = 100.000%  kept
          HB    THR   46 - HN    TRP   87  13.95 +/- 0.41   0.029% *  0.2427% (0.34   0.02   0.02) =   0.000%
          HB2   PHE   60 - HN    TRP   87  17.69 +/- 0.57   0.007% *  0.4603% (0.65   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    TRP   87  22.00 +/- 0.72   0.002% *  0.1098% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (2.93, 7.69, 117.92 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.81, residual support = 22.3:
          HB2   ASP-  86 - HN    TRP   87   3.21 +/- 0.05  99.932% * 97.3994% (0.80   3.81  22.32) = 100.000%  kept
          HB2   ASN   28 - HN    TRP   87  13.71 +/- 0.54   0.017% *  0.6383% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    TRP   87  13.80 +/- 0.28   0.016% *  0.3358% (0.53   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    TRP   87  12.74 +/- 0.29   0.026% *  0.0985% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    TRP   87  18.41 +/- 0.89   0.003% *  0.6257% (0.98   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    TRP   87  16.71 +/- 0.64   0.005% *  0.2862% (0.45   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    TRP   87  23.54 +/- 0.80   0.001% *  0.6160% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.50, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 3.37, residual support = 65.7:
      O   HB3   TRP   87 - HN    TRP   87   2.37 +/- 0.04  99.999% * 99.1360% (1.00   3.37  65.65) = 100.000%  kept
          HG2   GLU-  25 - HN    TRP   87  16.47 +/- 0.46   0.001% *  0.2867% (0.49   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    TRP   87  24.97 +/- 0.58   0.000% *  0.5773% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 773 (1.30, 7.69, 117.92 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 2.16, residual support = 4.92:
          QB    ALA   88 - HN    TRP   87   4.47 +/- 0.05  95.564% * 96.5650% (0.53   2.16   4.92) =  99.930%  kept
          QG2   THR   77 - HN    TRP   87   7.65 +/- 0.43   4.115% *  1.5232% (0.90   0.02   0.02) =   0.068%
          QG2   THR   23 - HN    TRP   87  12.95 +/- 0.29   0.165% *  0.8936% (0.53   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    TRP   87  13.47 +/- 0.47   0.132% *  0.3781% (0.22   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    TRP   87  19.15 +/- 0.47   0.016% *  0.2621% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    TRP   87  21.54 +/- 0.87   0.008% *  0.3781% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.03 A, kept.
 
    Peak 774 (0.08, 7.69, 117.92 ppm):
    3 chemical-shift based assignments, quality = 0.868, support = 1.53, residual support = 16.2:
          QG2   VAL   83 - HN    TRP   87   4.29 +/- 0.14  69.654% * 31.1693% (0.97   0.83  18.88) =  51.657%  kept
          QD1   ILE   89 - HN    TRP   87   4.98 +/- 0.26  29.806% * 68.1538% (0.76   2.29  13.37) =  48.334%  kept
          QD2   LEU   31 - HN    TRP   87   9.72 +/- 0.47   0.540% *  0.6769% (0.87   0.02   2.24) =   0.009%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 775 (0.10, 10.56, 128.74 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 1.01, residual support = 18.9:
          QG2   VAL   83 - HE1   TRP   87   2.10 +/- 0.16  99.920% * 96.8792% (0.45   1.01  18.88) =  99.997%  kept
          QD1   ILE   89 - HE1   TRP   87   6.92 +/- 0.34   0.080% *  3.1208% (0.73   0.02  13.37) =   0.003%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 776 (3.97, 8.31, 124.24 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.33, residual support = 13.4:
          QB    SER   85 - HN    ASP-  86   2.89 +/- 0.07  97.424% * 96.0039% (0.76   3.33  13.43) =  99.989%  kept
          HA    ALA   88 - HN    ASP-  86   5.64 +/- 0.10   1.795% *  0.5179% (0.69   0.02   0.02) =   0.010%
          HB2   SER   82 - HN    ASP-  86   6.59 +/- 0.17   0.724% *  0.1163% (0.15   0.02   0.02) =   0.001%
          HB    THR   94 - HN    ASP-  86  10.49 +/- 0.47   0.046% *  0.1163% (0.15   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    ASP-  86  17.14 +/- 0.60   0.002% *  0.5475% (0.73   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASP-  86  18.54 +/- 0.44   0.001% *  0.6762% (0.90   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ASP-  86  15.02 +/- 0.62   0.005% *  0.1679% (0.22   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASP-  86  16.92 +/- 0.56   0.003% *  0.3380% (0.45   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    ASP-  86  26.52 +/- 0.37   0.000% *  0.6298% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    ASP-  86  26.68 +/- 0.85   0.000% *  0.5762% (0.76   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ASP-  86  27.63 +/- 0.44   0.000% *  0.3100% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 777 (3.82, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 2.25, residual support = 10.8:
          HA    VAL   83 - HN    ASP-  86   3.14 +/- 0.09  99.991% * 95.3192% (0.61   2.25  10.83) = 100.000%  kept
          HA    GLN   30 - HN    ASP-  86  17.57 +/- 0.49   0.003% *  0.8473% (0.61   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    ASP-  86  19.49 +/- 0.79   0.002% *  1.3481% (0.97   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  86  19.49 +/- 0.92   0.002% *  0.7909% (0.57   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  86  19.37 +/- 0.46   0.002% *  0.7350% (0.53   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    ASP-  86  23.83 +/- 0.36   0.001% *  0.9596% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 778 (2.93, 8.31, 124.24 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 4.87, residual support = 41.0:
      O   HB2   ASP-  86 - HN    ASP-  86   2.42 +/- 0.12  99.991% * 98.4819% (0.98   4.87  40.96) = 100.000%  kept
          HB2   ASN   28 - HN    ASP-  86  13.10 +/- 0.58   0.004% *  0.3698% (0.90   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASP-  86  13.44 +/- 0.34   0.004% *  0.1146% (0.28   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASP-  86  17.20 +/- 0.75   0.001% *  0.2994% (0.73   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  86  18.85 +/- 1.07   0.000% *  0.3302% (0.80   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  86  24.89 +/- 0.79   0.000% *  0.4042% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 779 (2.46, 8.31, 124.24 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.56, residual support = 41.0:
      O   HB3   ASP-  86 - HN    ASP-  86   2.84 +/- 0.50  99.958% * 96.0954% (0.41   3.56  40.96) =  99.999%  kept
          HG3   MET   96 - HN    ASP-  86  11.38 +/- 0.36   0.039% *  1.3022% (0.99   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HN    ASP-  86  18.09 +/- 0.54   0.002% *  0.3653% (0.28   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  86  22.62 +/- 0.60   0.001% *  1.1397% (0.87   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    ASP-  86  25.39 +/- 0.72   0.000% *  1.0974% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 780 (3.97, 8.05, 111.48 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.15, residual support = 16.1:
      O   QB    SER   85 - HN    SER   85   2.16 +/- 0.05  99.517% * 95.7840% (0.76   3.15  16.08) =  99.998%  kept
          HA    ALA   88 - HN    SER   85   6.08 +/- 0.24   0.207% *  0.5464% (0.69   0.02   0.02) =   0.001%
          HB2   SER   82 - HN    SER   85   5.81 +/- 0.05   0.261% *  0.1227% (0.15   0.02   1.60) =   0.000%
          HB    THR   94 - HN    SER   85   9.93 +/- 0.54   0.011% *  0.1227% (0.15   0.02   0.02) =   0.000%
          QB    SER   48 - HN    SER   85  12.86 +/- 0.64   0.002% *  0.1771% (0.22   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   85  14.69 +/- 0.60   0.001% *  0.3566% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   85  16.64 +/- 0.50   0.000% *  0.7134% (0.90   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   85  18.68 +/- 0.56   0.000% *  0.5776% (0.73   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   85  26.42 +/- 0.36   0.000% *  0.6644% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   85  26.82 +/- 0.72   0.000% *  0.6079% (0.76   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   85  28.00 +/- 0.45   0.000% *  0.3270% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (3.70, 8.05, 111.48 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 3.27, residual support = 17.3:
      O   HA    ALA   84 - HN    SER   85   3.61 +/- 0.01  99.830% * 96.1667% (0.49   3.27  17.34) =  99.999%  kept
          HA    VAL   75 - HN    SER   85  10.78 +/- 0.31   0.145% *  0.6361% (0.53   0.02   0.02) =   0.001%
          HA2   GLY  109 - HN    SER   85  15.87 +/- 0.75   0.015% *  0.3732% (0.31   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    SER   85  18.38 +/- 0.58   0.006% *  0.8305% (0.69   0.02   0.02) =   0.000%
          HA    THR  118 - HN    SER   85  22.50 +/- 0.47   0.002% *  0.7333% (0.61   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    SER   85  23.41 +/- 0.45   0.001% *  0.9240% (0.76   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    SER   85  21.92 +/- 0.40   0.002% *  0.3362% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 782 (1.36, 8.05, 111.48 ppm):
    16 chemical-shift based assignments, quality = 0.998, support = 3.27, residual support = 17.3:
          QB    ALA   84 - HN    SER   85   2.65 +/- 0.06  99.424% * 95.1951% (1.00   3.27  17.34) =  99.998%  kept
          HB3   LEU   80 - HN    SER   85   6.44 +/- 0.65   0.551% *  0.3072% (0.53   0.02   0.02) =   0.002%
          HG    LEU   98 - HN    SER   85  13.93 +/- 0.96   0.005% *  0.5635% (0.97   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    SER   85  14.83 +/- 0.49   0.003% *  0.5839% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    SER   85  14.83 +/- 0.41   0.003% *  0.4462% (0.76   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    SER   85  14.39 +/- 0.67   0.004% *  0.2191% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   85  15.95 +/- 0.91   0.002% *  0.3541% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    SER   85  14.61 +/- 0.52   0.004% *  0.2191% (0.38   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   85  17.88 +/- 0.35   0.001% *  0.1802% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    SER   85  20.97 +/- 0.41   0.000% *  0.3777% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   85  20.18 +/- 0.74   0.001% *  0.2400% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    SER   85  19.44 +/- 0.73   0.001% *  0.1802% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    SER   85  21.37 +/- 1.09   0.000% *  0.1456% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   85  24.44 +/- 0.68   0.000% *  0.2842% (0.49   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    SER   85  27.82 +/- 0.62   0.000% *  0.5236% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   85  26.18 +/- 0.46   0.000% *  0.1802% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 783 (3.70, 7.58, 119.96 ppm):
    7 chemical-shift based assignments, quality = 0.487, support = 4.07, residual support = 17.3:
      O   HA    ALA   84 - HN    ALA   84   2.74 +/- 0.01  99.852% * 96.8990% (0.49   4.07  17.31) =  99.999%  kept
          HA    VAL   75 - HN    ALA   84   8.20 +/- 0.29   0.143% *  0.5146% (0.53   0.02   0.02) =   0.001%
          HB2   TRP   49 - HN    ALA   84  17.85 +/- 0.47   0.001% *  0.6718% (0.69   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA   84  16.29 +/- 0.62   0.002% *  0.3019% (0.31   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    ALA   84  22.44 +/- 0.34   0.000% *  0.7475% (0.76   0.02   0.02) =   0.000%
          HA    THR  118 - HN    ALA   84  22.07 +/- 0.34   0.000% *  0.5932% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ALA   84  20.79 +/- 0.33   0.001% *  0.2719% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (1.66, 7.58, 119.96 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 5.22, residual support = 42.0:
          HB    VAL   83 - HN    ALA   84   2.64 +/- 0.19  99.970% * 97.8029% (0.99   5.22  41.97) = 100.000%  kept
          HD2   LYS+  74 - HN    ALA   84  12.22 +/- 1.36   0.016% *  0.1556% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    ALA   84  15.30 +/- 0.37   0.003% *  0.1991% (0.53   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    ALA   84  13.61 +/- 0.72   0.007% *  0.0663% (0.18   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ALA   84  18.77 +/- 0.89   0.001% *  0.2748% (0.73   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    ALA   84  16.50 +/- 0.39   0.002% *  0.0663% (0.18   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   84  21.85 +/- 0.69   0.000% *  0.3751% (0.99   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   84  23.00 +/- 0.89   0.000% *  0.3652% (0.97   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   84  23.37 +/- 0.40   0.000% *  0.3580% (0.95   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ALA   84  22.17 +/- 1.13   0.000% *  0.0944% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   84  21.88 +/- 1.02   0.000% *  0.0584% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ALA   84  28.29 +/- 0.63   0.000% *  0.1842% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 785 (1.36, 7.58, 119.96 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 3.93, residual support = 17.3:
      O   QB    ALA   84 - HN    ALA   84   1.96 +/- 0.05  96.845% * 95.3097% (0.87   3.93  17.31) =  99.995%  kept
          HB3   LEU   80 - HN    ALA   84   3.80 +/- 0.80   3.147% *  0.1556% (0.28   0.02   0.02) =   0.005%
          HB3   LEU   73 - HN    ALA   84  11.84 +/- 0.68   0.002% *  0.3620% (0.65   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   84  13.03 +/- 1.03   0.001% *  0.4276% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   84  14.22 +/- 0.38   0.001% *  0.5018% (0.90   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   84  13.21 +/- 0.41   0.001% *  0.2723% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   84  15.97 +/- 0.96   0.000% *  0.4853% (0.87   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   84  12.57 +/- 0.50   0.001% *  0.0980% (0.18   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   84  16.15 +/- 0.38   0.000% *  0.3168% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   84  19.99 +/- 0.76   0.000% *  0.3843% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   84  19.06 +/- 1.13   0.000% *  0.2723% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   84  19.41 +/- 0.31   0.000% *  0.2100% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   84  24.18 +/- 0.57   0.000% *  0.4276% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   84  24.13 +/- 0.40   0.000% *  0.3168% (0.57   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   84  23.23 +/- 2.88   0.000% *  0.0980% (0.18   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   84  26.88 +/- 0.63   0.000% *  0.3620% (0.65   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 786 (0.60, 7.58, 119.96 ppm):
    6 chemical-shift based assignments, quality = 0.686, support = 5.85, residual support = 41.9:
          QG1   VAL   83 - HN    ALA   84   3.85 +/- 0.47  80.992% * 98.0129% (0.69   5.86  41.97) =  99.891%  kept
          QD2   LEU   80 - HN    ALA   84   5.03 +/- 0.22  18.655% *  0.4607% (0.95   0.02   0.02) =   0.108%
          QD1   LEU   73 - HN    ALA   84   9.97 +/- 0.50   0.316% *  0.2954% (0.61   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    ALA   84  15.55 +/- 0.42   0.021% *  0.2954% (0.61   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   84  17.84 +/- 0.49   0.009% *  0.4860% (1.00   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   84  18.61 +/- 0.47   0.007% *  0.4496% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.02 A, kept.
 
    Peak 787 (0.07, 7.58, 119.96 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 6.36, residual support = 42.0:
          QG2   VAL   83 - HN    ALA   84   3.21 +/- 0.28  97.309% * 99.3019% (0.76   6.36  41.97) =  99.995%  kept
          QD1   ILE   89 - HN    ALA   84   6.71 +/- 0.17   1.366% *  0.1990% (0.49   0.02  11.73) =   0.003%
          QG2   VAL   43 - HN    ALA   84   6.91 +/- 0.28   1.122% *  0.0910% (0.22   0.02   0.02) =   0.001%
          QD2   LEU   31 - HN    ALA   84   9.31 +/- 0.56   0.203% *  0.4080% (1.00   0.02   0.02) =   0.001%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 788 (4.00, 6.59, 123.60 ppm):
    10 chemical-shift based assignments, quality = 0.755, support = 4.1, residual support = 21.5:
          HB2   SER   82 - HN    VAL   83   3.40 +/- 0.12  99.755% * 97.0136% (0.75   4.10  21.50) =  99.999%  kept
          HA    ALA   88 - HN    VAL   83   9.73 +/- 0.20   0.188% *  0.2677% (0.43   0.02   0.02) =   0.001%
          HA    GLU-  29 - HN    VAL   83  14.41 +/- 0.54   0.018% *  0.4635% (0.74   0.02   0.02) =   0.000%
          HA    SER   48 - HN    VAL   83  14.77 +/- 0.54   0.016% *  0.3786% (0.60   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    VAL   83  16.21 +/- 0.65   0.009% *  0.2488% (0.40   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    VAL   83  18.47 +/- 0.46   0.004% *  0.4687% (0.75   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    VAL   83  19.44 +/- 0.64   0.003% *  0.4241% (0.68   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    VAL   83  18.27 +/- 0.50   0.004% *  0.1613% (0.26   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    VAL   83  22.17 +/- 0.45   0.001% *  0.2868% (0.46   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    VAL   83  26.91 +/- 0.43   0.000% *  0.2868% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (3.82, 6.59, 123.60 ppm):
    6 chemical-shift based assignments, quality = 0.458, support = 4.74, residual support = 87.8:
      O   HA    VAL   83 - HN    VAL   83   2.84 +/- 0.01  99.993% * 97.7212% (0.46   4.74  87.80) = 100.000%  kept
          HA    GLN   30 - HN    VAL   83  15.63 +/- 0.60   0.004% *  0.4125% (0.46   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    VAL   83  18.80 +/- 0.76   0.001% *  0.6563% (0.73   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    VAL   83  19.25 +/- 0.53   0.001% *  0.3578% (0.40   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    VAL   83  20.91 +/- 0.93   0.001% *  0.3850% (0.43   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    VAL   83  23.76 +/- 0.39   0.000% *  0.4671% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (1.66, 6.59, 123.60 ppm):
    12 chemical-shift based assignments, quality = 0.748, support = 4.81, residual support = 87.8:
      O   HB    VAL   83 - HN    VAL   83   2.24 +/- 0.07  99.996% * 97.6222% (0.75   4.81  87.80) = 100.000%  kept
          HD2   LYS+  74 - HN    VAL   83  13.99 +/- 1.27   0.002% *  0.1684% (0.31   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    VAL   83  17.74 +/- 0.39   0.000% *  0.2155% (0.40   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    VAL   83  19.55 +/- 0.90   0.000% *  0.2974% (0.55   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    VAL   83  16.08 +/- 0.79   0.001% *  0.0717% (0.13   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    VAL   83  22.00 +/- 0.78   0.000% *  0.4059% (0.75   0.02   0.02) =   0.000%
          QB    ALA   57 - HN    VAL   83  18.27 +/- 0.42   0.000% *  0.0717% (0.13   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    VAL   83  24.42 +/- 0.90   0.000% *  0.3952% (0.73   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    VAL   83  25.43 +/- 0.41   0.000% *  0.3874% (0.71   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    VAL   83  24.71 +/- 1.15   0.000% *  0.1021% (0.19   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    VAL   83  24.41 +/- 1.04   0.000% *  0.0632% (0.12   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    VAL   83  30.35 +/- 0.66   0.000% *  0.1993% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 791 (1.39, 6.59, 123.60 ppm):
    13 chemical-shift based assignments, quality = 0.188, support = 0.02, residual support = 0.02:
          HB2   LEU   80 - HN    VAL   83   3.12 +/- 0.32  99.930% *  2.8578% (0.19   0.02   0.02) =  99.803%  kept
          HB3   LEU   73 - HN    VAL   83  12.67 +/- 0.69   0.027% *  9.9416% (0.65   0.02   0.02) =   0.094%
          QB    LEU   98 - HN    VAL   83  14.04 +/- 0.36   0.014% *  7.8727% (0.52   0.02   0.02) =   0.039%
          HB3   LYS+  74 - HN    VAL   83  14.33 +/- 0.36   0.012% *  4.7118% (0.31   0.02   0.02) =   0.020%
          HB    VAL   42 - HN    VAL   83  17.77 +/- 0.39   0.003% * 10.5799% (0.70   0.02   0.02) =   0.012%
          HG3   LYS+  33 - HN    VAL   83  19.05 +/- 1.35   0.003% * 11.0607% (0.73   0.02   0.02) =   0.010%
          HG3   LYS+ 106 - HN    VAL   83  17.92 +/- 0.96   0.003% *  7.4142% (0.49   0.02   0.02) =   0.009%
          HG3   LYS+ 102 - HN    VAL   83  20.80 +/- 0.80   0.001% *  9.5730% (0.63   0.02   0.02) =   0.004%
          QB    ALA   12 - HN    VAL   83  23.26 +/- 3.04   0.001% * 10.5799% (0.70   0.02   0.02) =   0.004%
          HB3   PRO   93 - HN    VAL   83  16.71 +/- 0.39   0.005% *  1.7684% (0.12   0.02   0.02) =   0.003%
          HG3   LYS+  65 - HN    VAL   83  25.79 +/- 0.40   0.000% * 10.5799% (0.70   0.02   0.02) =   0.001%
          HB2   LYS+ 112 - HN    VAL   83  26.71 +/- 0.59   0.000% *  8.7588% (0.58   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    VAL   83  26.17 +/- 0.86   0.000% *  4.3014% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.80 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 = 5.38, residual support = 87.8:
          QG1   VAL   83 - HN    VAL   83   2.38 +/- 0.16  97.593% * 99.2404% (0.75   5.38  87.80) =  99.996%  kept
          QD2   LEU   80 - HN    VAL   83   4.73 +/- 0.37   2.338% *  0.1531% (0.31   0.02   0.02) =   0.004%
          QG2   ILE   89 - HN    VAL   83   8.07 +/- 0.20   0.068% *  0.2259% (0.46   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    VAL   83  19.06 +/- 0.51   0.000% *  0.2409% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   83  20.60 +/- 0.51   0.000% *  0.1398% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 793 (0.09, 6.59, 123.60 ppm):
    3 chemical-shift based assignments, quality = 0.74, support = 5.36, residual support = 87.8:
          QG2   VAL   83 - HN    VAL   83   3.65 +/- 0.05  99.110% * 99.4048% (0.74   5.36  87.80) =  99.997%  kept
          QD1   ILE   89 - HN    VAL   83   8.70 +/- 0.20   0.552% *  0.3655% (0.73   0.02   0.02) =   0.002%
          QD2   LEU   31 - HN    VAL   83   9.55 +/- 0.64   0.338% *  0.2297% (0.46   0.02   0.02) =   0.001%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 794 (4.01, 8.64, 114.33 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 4.04, residual support = 33.5:
      O   HB2   SER   82 - HN    SER   82   2.07 +/- 0.10  99.992% * 96.6543% (0.87   4.04  33.53) = 100.000%  kept
          HA    ALA   88 - HN    SER   82  10.67 +/- 0.29   0.006% *  0.1535% (0.28   0.02   0.02) =   0.000%
          HA    SER   48 - HN    SER   82  14.16 +/- 0.56   0.001% *  0.2688% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    SER   82  16.37 +/- 0.63   0.000% *  0.5223% (0.95   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    SER   82  20.22 +/- 0.48   0.000% *  0.5097% (0.92   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    SER   82  21.80 +/- 0.70   0.000% *  0.5509% (1.00   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   82  18.63 +/- 0.73   0.000% *  0.1377% (0.25   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    SER   82  24.61 +/- 0.45   0.000% *  0.4952% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    SER   82  18.19 +/- 0.49   0.000% *  0.0747% (0.14   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    SER   82  28.45 +/- 0.39   0.000% *  0.4952% (0.90   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    SER   82  24.77 +/- 0.84   0.000% *  0.1377% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 795 (3.87, 8.64, 114.33 ppm):
    8 chemical-shift based assignments, quality = 0.687, support = 3.43, residual support = 33.5:
      O   HB3   SER   82 - HN    SER   82   3.04 +/- 0.15  99.948% * 95.8820% (0.69   3.43  33.53) = 100.000%  kept
          HA    ILE   89 - HN    SER   82  11.02 +/- 0.42   0.046% *  0.8132% (1.00   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    SER   82  23.97 +/- 0.71   0.000% *  0.8132% (1.00   0.02   0.02) =   0.000%
          HB    THR   39 - HN    SER   82  23.84 +/- 0.54   0.000% *  0.7848% (0.97   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   82  24.99 +/- 2.42   0.000% *  0.7693% (0.95   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    SER   82  17.79 +/- 0.65   0.003% *  0.1255% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   82  19.01 +/- 0.56   0.002% *  0.1609% (0.20   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   82  24.53 +/- 0.38   0.000% *  0.6512% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (1.87, 8.64, 114.33 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 4.37, residual support = 11.9:
          QB    LYS+  81 - HN    SER   82   2.80 +/- 0.15  99.903% * 96.2074% (0.97   4.37  11.88) = 100.000%  kept
          HB3   GLN   90 - HN    SER   82   9.82 +/- 1.95   0.084% *  0.4212% (0.92   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    SER   82  16.91 +/- 0.38   0.002% *  0.4472% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    SER   82  15.46 +/- 0.81   0.004% *  0.2400% (0.53   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    SER   82  16.03 +/- 0.77   0.003% *  0.1712% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    SER   82  18.53 +/- 0.73   0.001% *  0.3958% (0.87   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    SER   82  19.85 +/- 0.36   0.001% *  0.3134% (0.69   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    SER   82  21.06 +/- 0.36   0.001% *  0.3958% (0.87   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    SER   82  22.96 +/- 0.49   0.000% *  0.3487% (0.76   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    SER   82  23.49 +/- 1.00   0.000% *  0.3313% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    SER   82  26.63 +/- 0.72   0.000% *  0.3313% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    SER   82  30.82 +/- 0.80   0.000% *  0.2951% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    SER   82  27.14 +/- 0.26   0.000% *  0.1016% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 0.934, support = 4.37, residual support = 20.5:
          QG1   VAL   83 - HN    SER   82   4.35 +/- 0.14  80.079% * 81.8704% (0.95   4.52  21.50) =  95.342%  kept
          QD2   LEU   80 - HN    SER   82   5.77 +/- 0.64  18.643% * 17.1722% (0.69   1.31   0.02) =   4.656%  kept
          QG2   ILE   89 - HN    SER   82   8.89 +/- 0.26   1.107% *  0.1305% (0.34   0.02   0.02) =   0.002%
          QD1   LEU   73 - HN    SER   82  12.41 +/- 0.50   0.149% *  0.1181% (0.31   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    SER   82  21.14 +/- 0.50   0.006% *  0.3432% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    SER   82  18.86 +/- 0.42   0.012% *  0.1181% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    SER   82  21.82 +/- 0.43   0.005% *  0.2475% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 799 (1.87, 7.29, 121.74 ppm):
    13 chemical-shift based assignments, quality = 0.965, support = 5.2, residual support = 101.2:
      O   QB    LYS+  81 - HN    LYS+  81   2.54 +/- 0.14  99.932% * 96.7941% (0.97   5.20 101.25) = 100.000%  kept
          HB3   GLN   90 - HN    LYS+  81   9.52 +/- 1.97   0.060% *  0.3560% (0.92   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  81  15.23 +/- 0.69   0.002% *  0.2029% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  81  17.07 +/- 0.34   0.001% *  0.3780% (0.98   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  81  14.88 +/- 0.83   0.003% *  0.1447% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  81  18.57 +/- 0.64   0.001% *  0.3345% (0.87   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  81  19.49 +/- 0.36   0.001% *  0.3345% (0.87   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  81  20.70 +/- 0.36   0.000% *  0.2649% (0.69   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  81  21.30 +/- 1.08   0.000% *  0.2800% (0.73   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  81  22.87 +/- 0.45   0.000% *  0.2947% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  81  27.28 +/- 0.65   0.000% *  0.2800% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  81  30.09 +/- 0.67   0.000% *  0.2495% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  81  25.51 +/- 0.30   0.000% *  0.0859% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 800 (1.55, 7.29, 121.74 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 4.92, residual support = 101.2:
          QG    LYS+  81 - HN    LYS+  81   2.10 +/- 0.25  99.998% * 98.7659% (0.97   4.92 101.25) = 100.000%  kept
          HD3   LYS+  74 - HN    LYS+  81  13.97 +/- 1.02   0.002% *  0.1420% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    LYS+  81  20.20 +/- 1.19   0.000% *  0.3843% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HN    LYS+  81  20.63 +/- 0.61   0.000% *  0.3939% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    LYS+  81  22.23 +/- 0.52   0.000% *  0.1285% (0.31   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    LYS+  81  23.77 +/- 0.47   0.000% *  0.0927% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    LYS+  81  27.34 +/- 0.31   0.000% *  0.0927% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 801 (0.58, 7.29, 121.74 ppm):
    9 chemical-shift based assignments, quality = 0.35, support = 4.91, residual support = 30.9:
          QD2   LEU   80 - HN    LYS+  81   5.13 +/- 0.68  26.375% * 73.7102% (0.53   4.67  30.93) =  52.528%  kept
          QD1   LEU   80 - HN    LYS+  81   4.14 +/- 0.55  73.424% * 23.9281% (0.15   5.17  30.93) =  47.470%  kept
          QD1   LEU   73 - HN    LYS+  81  12.17 +/- 0.41   0.100% *  0.5381% (0.90   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    LYS+  81  14.36 +/- 0.51   0.037% *  0.1668% (0.28   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LYS+  81  18.12 +/- 0.39   0.009% *  0.5381% (0.90   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LYS+  81  14.09 +/- 0.59   0.042% *  0.0926% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LYS+  81  20.23 +/- 0.56   0.005% *  0.5012% (0.84   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LYS+  81  20.89 +/- 0.42   0.004% *  0.3397% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LYS+  81  21.36 +/- 0.54   0.003% *  0.1852% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 0.566, support = 3.1, residual support = 11.5:
          HB2   ASP-  78 - HN    GLU-  79   3.24 +/- 0.37  45.994% * 67.8539% (0.60   3.70  15.32) =  64.825%  kept
          HB2   ASP-  76 - HN    GLU-  79   3.09 +/- 0.50  53.984% * 31.3686% (0.51   2.01   4.39) =  35.175%  kept
          HB2   ASP-  86 - HN    GLU-  79  12.04 +/- 0.32   0.015% *  0.0507% (0.08   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    GLU-  79  14.65 +/- 0.44   0.005% *  0.1539% (0.25   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    GLU-  79  18.96 +/- 1.22   0.001% *  0.1970% (0.32   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  79  20.49 +/- 0.84   0.001% *  0.1041% (0.17   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    GLU-  79  27.37 +/- 0.57   0.000% *  0.2719% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 804 (2.34, 8.02, 121.50 ppm):
    7 chemical-shift based assignments, quality = 0.0941, support = 4.03, residual support = 54.4:
      O   HB2   GLU-  79 - HN    GLU-  79   2.47 +/- 0.28  99.991% * 92.2489% (0.09   4.03  54.40) = 100.000%  kept
          HG2   PRO   52 - HN    GLU-  79  12.89 +/- 0.51   0.006% *  1.3294% (0.27   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    GLU-  79  15.27 +/- 0.34   0.002% *  1.9182% (0.39   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    GLU-  79  21.41 +/- 0.34   0.000% *  2.3743% (0.49   0.02   0.02) =   0.000%
          HB3   PHE   97 - HN    GLU-  79  20.78 +/- 0.25   0.000% *  1.0115% (0.21   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLU-  79  25.55 +/- 0.45   0.000% *  0.6602% (0.14   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLU-  79  26.78 +/- 0.34   0.000% *  0.4575% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 805 (2.15, 8.02, 121.50 ppm):
    6 chemical-shift based assignments, quality = 0.588, support = 3.86, residual support = 54.4:
      O   HB3   GLU-  79 - HN    GLU-  79   3.03 +/- 0.36  99.727% * 98.1991% (0.59   3.86  54.40) =  99.999%  kept
          HB2   GLN   90 - HN    GLU-  79   9.40 +/- 2.07   0.263% *  0.4024% (0.47   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HN    GLU-  79  16.60 +/- 0.80   0.004% *  0.4861% (0.56   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  79  16.27 +/- 0.35   0.005% *  0.2981% (0.35   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLU-  79  22.70 +/- 0.35   0.001% *  0.5219% (0.60   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  79  27.69 +/- 0.39   0.000% *  0.0922% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 3.94, residual support = 37.7:
      O   HB3   ASP-  78 - HN    ASP-  78   2.30 +/- 0.34  99.684% * 97.1517% (0.49   3.94  37.67) =  99.997%  kept
          QE    LYS+  74 - HN    ASP-  78   8.15 +/- 1.12   0.165% *  0.9919% (0.98   0.02   0.02) =   0.002%
          QB    CYS   50 - HN    ASP-  78   7.25 +/- 0.23   0.150% *  0.9766% (0.97   0.02   0.02) =   0.002%
          HB2   PHE   72 - HN    ASP-  78  17.11 +/- 0.55   0.001% *  0.2253% (0.22   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ASP-  78  28.03 +/- 0.40   0.000% *  0.6546% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 820 (2.91, 8.52, 119.25 ppm):
    7 chemical-shift based assignments, quality = 0.961, support = 4.97, residual support = 33.4:
      O   HB2   ASP-  78 - HN    ASP-  78   2.77 +/- 0.22  85.726% * 52.5962% (0.98   4.94  37.67) =  87.068%  kept
          HB2   ASP-  76 - HN    ASP-  78   3.94 +/- 0.61  14.263% * 46.9528% (0.84   5.18   4.25) =  12.932%  kept
          HB2   ASP-  86 - HN    ASP-  78  13.34 +/- 0.47   0.007% *  0.0294% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   28 - HN    ASP-  78  16.88 +/- 0.48   0.002% *  0.0893% (0.41   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    ASP-  78  20.37 +/- 1.14   0.001% *  0.1143% (0.53   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASP-  78  20.06 +/- 0.84   0.001% *  0.0604% (0.28   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASP-  78  27.86 +/- 0.59   0.000% *  0.1577% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 821 (3.59, 8.52, 119.25 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.71, residual support = 29.1:
      O   HA    THR   77 - HN    ASP-  78   3.55 +/- 0.04  99.838% * 99.6692% (0.92   4.71  29.13) = 100.000%  kept
          HD2   PRO   93 - HN    ASP-  78  11.34 +/- 0.55   0.099% *  0.1143% (0.25   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ASP-  78  12.32 +/- 0.41   0.058% *  0.1143% (0.25   0.02   0.02) =   0.000%
          HA    LEU   31 - HN    ASP-  78  18.73 +/- 0.31   0.005% *  0.1021% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 822 (5.01, 8.52, 119.25 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 2.89, residual support = 4.25:
          HA    ASP-  76 - HN    ASP-  78   3.87 +/- 0.15  99.998% * 99.6999% (0.95   2.89   4.25) = 100.000%  kept
          HA    LEU   67 - HN    ASP-  78  24.62 +/- 0.69   0.002% *  0.3001% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 823 (3.58, 9.27, 119.07 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 4.01, residual support = 37.8:
      O   HA    THR   77 - HN    THR   77   2.79 +/- 0.03  99.917% * 99.4274% (0.98   4.01  37.77) = 100.000%  kept
          HD2   PRO   93 - HN    THR   77   9.57 +/- 0.45   0.064% *  0.2863% (0.57   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    THR   77  11.64 +/- 0.39   0.019% *  0.2863% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 824 (2.90, 9.27, 119.07 ppm):
    6 chemical-shift based assignments, quality = 0.962, support = 4.02, residual support = 14.3:
          HB2   ASP-  76 - HN    THR   77   4.29 +/- 0.26  76.077% * 63.5044% (1.00   4.19  11.69) =  84.889%  kept
          HB2   ASP-  78 - HN    THR   77   5.25 +/- 0.31  23.880% * 36.0130% (0.76   3.10  29.13) =  15.111%  kept
          HB2   ASN   28 - HN    THR   77  16.36 +/- 0.47   0.026% *  0.0532% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    THR   77  19.11 +/- 1.04   0.011% *  0.0758% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    THR   77  25.53 +/- 0.56   0.002% *  0.2934% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HN    THR   77  21.88 +/- 0.54   0.005% *  0.0602% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 825 (2.24, 9.27, 119.07 ppm):
    11 chemical-shift based assignments, quality = 0.566, support = 3.64, residual support = 11.7:
          HB3   ASP-  76 - HN    THR   77   3.75 +/- 0.33  93.736% * 95.2549% (0.57   3.64  11.69) =  99.973%  kept
          QG    GLN   90 - HN    THR   77   7.49 +/- 1.94   4.893% *  0.3155% (0.34   0.02   0.02) =   0.017%
          HG3   MET   92 - HN    THR   77   9.71 +/- 1.36   0.764% *  0.9250% (1.00   0.02   0.02) =   0.008%
          HB2   ASP-  44 - HN    THR   77   9.09 +/- 0.42   0.531% *  0.1831% (0.20   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    THR   77  17.32 +/- 0.88   0.011% *  0.9067% (0.98   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    THR   77  14.16 +/- 0.69   0.037% *  0.2572% (0.28   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    THR   77  18.35 +/- 0.64   0.008% *  0.6354% (0.69   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    THR   77  18.77 +/- 0.30   0.007% *  0.7407% (0.80   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR   77  19.02 +/- 2.10   0.007% *  0.2059% (0.22   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR   77  19.72 +/- 1.04   0.005% *  0.1252% (0.14   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    THR   77  25.32 +/- 0.93   0.001% *  0.4503% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 826 (1.32, 9.27, 119.07 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 4.01, residual support = 37.8:
          QG2   THR   77 - HN    THR   77   2.11 +/- 0.16  99.899% * 96.0802% (0.61   4.01  37.77) = 100.000%  kept
          HB3   LEU   80 - HN    THR   77   7.39 +/- 1.00   0.083% *  0.3247% (0.41   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    THR   77  11.02 +/- 0.48   0.005% *  0.7471% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    THR   77   9.81 +/- 0.56   0.011% *  0.1758% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   77  16.62 +/- 0.51   0.000% *  0.5109% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   77  16.89 +/- 0.45   0.000% *  0.4471% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   77  16.07 +/- 0.29   0.001% *  0.2438% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   77  23.51 +/- 0.57   0.000% *  0.7083% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   77  26.39 +/- 0.61   0.000% *  0.7622% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 827 (0.38, 9.27, 119.07 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 2.61, residual support = 3.83:
          QB    ALA   47 - HN    THR   77   4.20 +/- 0.09  99.658% * 98.6318% (0.90   2.61   3.83) =  99.998%  kept
          QG1   VAL   42 - HN    THR   77  11.62 +/- 0.38   0.231% *  0.6745% (0.80   0.02   0.02) =   0.002%
          QB    ALA   64 - HN    THR   77  13.52 +/- 0.27   0.091% *  0.3161% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    THR   77  17.40 +/- 0.84   0.021% *  0.3776% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 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   2.93 +/- 0.01  99.960% * 99.3913% (0.97   5.14  83.34) = 100.000%  kept
          HD3   PRO   58 - HN    VAL   75  13.48 +/- 0.22   0.011% *  0.3927% (0.98   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    VAL   75  11.51 +/- 0.28   0.028% *  0.1367% (0.34   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   75  18.18 +/- 0.86   0.002% *  0.0793% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 829 (2.28, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 0.749, residual support = 0.749:
          HB2   ASP-  44 - HN    VAL   75   4.41 +/- 0.44  95.988% * 87.0932% (0.87   0.75   0.75) =  99.908%  kept
          HB3   PHE   72 - HN    VAL   75   8.42 +/- 0.63   2.607% *  2.0462% (0.76   0.02   0.02) =   0.064%
          QG    GLN   90 - HN    VAL   75  10.50 +/- 1.52   0.911% *  1.8392% (0.69   0.02   0.02) =   0.020%
          QG    GLU-  14 - HN    VAL   75  14.46 +/- 2.12   0.146% *  2.2364% (0.84   0.02   0.02) =   0.004%
          QG    GLU-  15 - HN    VAL   75  14.52 +/- 1.14   0.090% *  2.5328% (0.95   0.02   0.02) =   0.003%
          HG2   MET   92 - HN    VAL   75  13.13 +/- 0.88   0.177% *  0.4689% (0.18   0.02   0.02) =   0.001%
          HG12  ILE  119 - HN    VAL   75  15.43 +/- 0.67   0.061% *  0.9133% (0.34   0.02   0.02) =   0.001%
          QB    MET   11 - HN    VAL   75  21.86 +/- 3.05   0.012% *  2.4012% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    VAL   75  21.16 +/- 0.47   0.009% *  0.4689% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 4 structures by 0.13 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 830 (1.43, 8.53, 128.95 ppm):
    14 chemical-shift based assignments, quality = 0.219, support = 4.25, residual support = 26.0:
          HB3   LYS+  74 - HN    VAL   75   4.44 +/- 0.09  86.886% * 45.7179% (0.20   4.38  27.04) =  96.006%  kept
          HG    LEU   73 - HN    VAL   75   7.65 +/- 0.22   3.384% * 46.5420% (0.76   1.15   0.21) =   3.807%  kept
          HG    LEU   80 - HN    VAL   75   7.28 +/- 1.11   6.193% *  0.9156% (0.87   0.02   0.32) =   0.137%
          HB2   LEU   80 - HN    VAL   75   8.72 +/- 0.87   1.820% *  0.3601% (0.34   0.02   0.32) =   0.016%
          QB    ALA   61 - HN    VAL   75  10.49 +/- 0.29   0.508% *  1.0347% (0.98   0.02   0.02) =   0.013%
          HG12  ILE   19 - HN    VAL   75  10.36 +/- 0.29   0.541% *  0.8067% (0.76   0.02   0.02) =   0.011%
          QB    ALA  110 - HN    VAL   75  11.34 +/- 0.41   0.321% *  0.8817% (0.84   0.02   0.02) =   0.007%
          HB3   LEU   67 - HN    VAL   75  14.84 +/- 0.54   0.064% *  1.0532% (1.00   0.02   0.02) =   0.002%
          QG    LYS+  66 - HN    VAL   75  16.02 +/- 0.56   0.040% *  0.9744% (0.92   0.02   0.02) =   0.001%
          HB3   LEU  115 - HN    VAL   75  14.01 +/- 0.37   0.089% *  0.2935% (0.28   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    VAL   75  14.31 +/- 1.17   0.089% *  0.2935% (0.28   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    VAL   75  15.77 +/- 0.77   0.045% *  0.2089% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    VAL   75  21.14 +/- 0.58   0.008% *  0.6829% (0.65   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   75  20.29 +/- 0.72   0.010% *  0.2350% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.06 A, kept.
 
    Peak 831 (1.26, 8.53, 128.95 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 5.64, residual support = 27.0:
          HG2   LYS+  74 - HN    VAL   75   3.35 +/- 0.50  98.721% * 95.1885% (0.45   5.64  27.04) =  99.992%  kept
          QG2   ILE   56 - HN    VAL   75   8.16 +/- 0.20   0.671% *  0.6531% (0.87   0.02   0.02) =   0.005%
          HG13  ILE   19 - HN    VAL   75  10.33 +/- 0.27   0.143% *  0.5172% (0.69   0.02   0.02) =   0.001%
          QB    ALA   91 - HN    VAL   75  11.40 +/- 0.20   0.085% *  0.7266% (0.97   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    VAL   75  10.01 +/- 0.20   0.197% *  0.2568% (0.34   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    VAL   75  11.09 +/- 0.19   0.097% *  0.5172% (0.69   0.02   0.02) =   0.001%
          HG    LEU   71 - HN    VAL   75  12.54 +/- 0.95   0.057% *  0.3095% (0.41   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    VAL   75  14.29 +/- 0.21   0.022% *  0.7266% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    VAL   75  18.83 +/- 0.87   0.004% *  0.3665% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    VAL   75  21.51 +/- 0.59   0.002% *  0.7380% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 832 (1.00, 8.53, 128.95 ppm):
    6 chemical-shift based assignments, quality = 0.933, support = 4.43, residual support = 81.8:
      O   HB    VAL   75 - HN    VAL   75   2.57 +/- 0.32  96.227% * 57.6150% (0.95   4.38  83.34) =  97.269%  kept
          HG3   LYS+  74 - HN    VAL   75   4.67 +/- 0.24   3.730% * 41.7330% (0.49   6.17  27.04) =   2.731%  kept
          QD2   LEU   40 - HN    VAL   75  11.84 +/- 0.48   0.015% *  0.2124% (0.76   0.02   0.02) =   0.000%
          QD1   LEU   67 - HN    VAL   75  11.89 +/- 0.61   0.013% *  0.2018% (0.73   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    VAL   75  13.17 +/- 0.23   0.007% *  0.1686% (0.61   0.02   0.02) =   0.000%
          QD1   ILE  119 - HN    VAL   75  12.76 +/- 0.28   0.009% *  0.0693% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 833 (0.76, 8.53, 128.95 ppm):
    9 chemical-shift based assignments, quality = 0.657, support = 0.553, residual support = 1.59:
          QG2   THR   46 - HN    VAL   75   4.10 +/- 0.29  82.505% * 21.5332% (0.69   0.38   1.97) =  79.293%  kept
          QD2   LEU   73 - HN    VAL   75   6.62 +/- 0.73   6.359% * 54.1619% (0.41   1.58   0.21) =  15.373%  kept
          QG1   VAL   43 - HN    VAL   75   6.45 +/- 0.42   5.963% * 19.0881% (0.97   0.24   0.02) =   5.080%  kept
          QG2   VAL   18 - HN    VAL   75   7.23 +/- 0.67   3.071% *  1.3362% (0.80   0.02   0.02) =   0.183%
          QD1   ILE   19 - HN    VAL   75   8.27 +/- 0.25   1.294% *  0.5692% (0.34   0.02   0.02) =   0.033%
          QG1   VAL   41 - HN    VAL   75  10.69 +/- 0.45   0.276% *  1.6650% (1.00   0.02   0.02) =   0.021%
          HG    LEU   31 - HN    VAL   75  10.39 +/- 0.35   0.330% *  0.9447% (0.57   0.02   0.02) =   0.014%
          QD1   ILE   56 - HN    VAL   75  11.61 +/- 0.23   0.172% *  0.3302% (0.20   0.02   0.02) =   0.003%
          QD2   LEU  104 - HN    VAL   75  15.66 +/- 0.67   0.028% *  0.3715% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.38 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   3.40 +/- 0.52  99.947% * 99.6790% (0.92   5.14  83.34) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   75  12.48 +/- 0.45   0.053% *  0.3210% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 835 (0.11, 8.53, 128.95 ppm):
    3 chemical-shift based assignments, quality = 0.487, support = 4.99, residual support = 83.3:
          QG2   VAL   75 - HN    VAL   75   3.28 +/- 0.11  98.414% * 99.5161% (0.49   4.99  83.34) =  99.996%  kept
          QD1   ILE   89 - HN    VAL   75   6.91 +/- 0.22   1.155% *  0.2043% (0.25   0.02   0.02) =   0.002%
          QG2   VAL   42 - HN    VAL   75   8.79 +/- 1.20   0.431% *  0.2795% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 836 (1.41, 8.48, 121.30 ppm):
    14 chemical-shift based assignments, quality = 0.662, support = 4.37, residual support = 160.7:
      O   HB3   LYS+  74 - HN    LYS+  74   2.57 +/- 0.15  70.971% * 81.2019% (0.71   4.27 170.13) =  92.500%  kept
          HB3   LEU   73 - HN    LYS+  74   3.01 +/- 0.13  28.428% * 16.4326% (0.11   5.59  43.90) =   7.498%  kept
          HG12  ILE   19 - HN    LYS+  74   6.10 +/- 0.23   0.425% *  0.2310% (0.43   0.02   8.48) =   0.002%
          HG    LEU   80 - HN    LYS+  74   8.94 +/- 0.92   0.049% *  0.1854% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LYS+  74  10.70 +/- 0.82   0.015% *  0.3676% (0.68   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+  74   8.71 +/- 0.60   0.050% *  0.0754% (0.14   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  74  14.82 +/- 2.42   0.013% *  0.2310% (0.43   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LYS+  74   9.83 +/- 0.28   0.023% *  0.1176% (0.22   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  74  12.14 +/- 0.32   0.007% *  0.3304% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  74  12.26 +/- 0.66   0.007% *  0.0950% (0.18   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LYS+  74  13.90 +/- 0.47   0.003% *  0.2004% (0.37   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LYS+  74  12.67 +/- 0.67   0.005% *  0.0754% (0.14   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  74  13.22 +/- 0.53   0.004% *  0.0754% (0.14   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LYS+  74  20.87 +/- 0.70   0.000% *  0.3809% (0.71   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 837 (0.80, 8.48, 121.30 ppm):
    5 chemical-shift based assignments, quality = 0.197, support = 5.98, residual support = 43.9:
          QD2   LEU   73 - HN    LYS+  74   4.04 +/- 0.19  99.141% * 97.3539% (0.20   5.98  43.90) =  99.998%  kept
          HG    LEU   31 - HN    LYS+  74   9.24 +/- 0.44   0.763% *  0.2052% (0.12   0.02   0.02) =   0.002%
          QD1   ILE   56 - HN    LYS+  74  13.45 +/- 0.27   0.076% *  0.6164% (0.37   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    LYS+  74  17.83 +/- 0.65   0.014% *  0.6633% (0.40   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  74  20.99 +/- 0.56   0.005% *  1.1612% (0.70   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 6 structures by 0.26 A, kept.
 
    Peak 838 (1.70, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.636, support = 5.87, residual support = 43.9:
          HB2   LEU   73 - HN    LYS+  74   3.51 +/- 0.38  99.857% * 98.0148% (0.64   5.87  43.90) = 100.000%  kept
          QG1   ILE   56 - HN    LYS+  74  12.46 +/- 0.31   0.059% *  0.2109% (0.40   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    LYS+  74  15.80 +/- 0.37   0.014% *  0.3717% (0.71   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    LYS+  74  15.99 +/- 1.08   0.013% *  0.3692% (0.70   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LYS+  74  15.95 +/- 0.79   0.013% *  0.2847% (0.54   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LYS+  74  14.35 +/- 0.66   0.025% *  0.1271% (0.24   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LYS+  74  16.53 +/- 0.84   0.011% *  0.1670% (0.32   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LYS+  74  22.28 +/- 0.78   0.002% *  0.2410% (0.46   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LYS+  74  21.72 +/- 0.83   0.002% *  0.1398% (0.27   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LYS+  74  19.97 +/- 0.45   0.003% *  0.0737% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 0.545, support = 0.0195, residual support = 0.0195:
          HB    VAL   41 - HN    LYS+  74   9.92 +/- 0.44  35.020% * 15.4986% (0.71   0.02   0.02) =  53.711%  kept
          HB2   LEU   71 - HN    LYS+  74   9.49 +/- 0.71  45.930% *  5.8297% (0.27   0.02   0.02) =  26.497%  kept
          QB    LYS+  66 - HN    LYS+  74  14.28 +/- 0.38   3.883% * 14.9905% (0.68   0.02   0.02) =   5.760%  kept
          QB    LYS+  65 - HN    LYS+  74  12.86 +/- 0.35   7.365% *  6.3858% (0.29   0.02   0.02) =   4.654%  kept
          HG2   PRO   93 - HN    LYS+  74  14.85 +/- 0.63   3.120% * 11.8708% (0.54   0.02   0.02) =   3.665%  kept
          HG12  ILE  103 - HN    LYS+  74  15.56 +/- 0.36   2.288% * 14.6936% (0.67   0.02   0.02) =   3.327%  kept
          HB3   PRO   52 - HN    LYS+  74  17.83 +/- 0.33   1.026% * 11.2793% (0.51   0.02   0.02) =   1.145%
          QB    LYS+ 102 - HN    LYS+  74  18.13 +/- 0.51   0.936% *  8.1723% (0.37   0.02   0.02) =   0.757%
          HG    LEU  123 - HN    LYS+  74  20.62 +/- 0.45   0.432% * 11.2793% (0.51   0.02   0.02) =   0.483%
    Distance limit 4.52 A violated in 20 structures by 3.78 A, eliminated.
    Peak unassigned.
 
    Peak 840 (2.28, 8.95, 120.59 ppm):
    9 chemical-shift based assignments, quality = 0.77, support = 4.9, residual support = 30.2:
          HB3   PHE   72 - HN    LEU   73   3.40 +/- 0.39  87.182% * 68.8187% (0.76   5.09  31.68) =  94.231%  kept
          HB2   ASP-  44 - HN    LEU   73   4.93 +/- 0.35  12.344% * 29.7446% (0.87   1.94   6.65) =   5.767%  kept
          QG    GLU-  15 - HN    LEU   73  10.03 +/- 1.36   0.217% *  0.3350% (0.95   0.02   0.02) =   0.001%
          QG    GLU-  14 - HN    LEU   73  11.62 +/- 2.15   0.191% *  0.2958% (0.84   0.02   0.02) =   0.001%
          QG    GLN   90 - HN    LEU   73  14.63 +/- 0.99   0.017% *  0.2433% (0.69   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    LEU   73  13.33 +/- 0.76   0.029% *  0.1208% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - HN    LEU   73  18.90 +/- 2.60   0.006% *  0.3176% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   73  16.66 +/- 0.82   0.008% *  0.0620% (0.18   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   73  17.47 +/- 0.58   0.006% *  0.0620% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 841 (1.69, 8.95, 120.59 ppm):
    11 chemical-shift based assignments, quality = 0.991, support = 6.34, residual support = 164.2:
      O   HB2   LEU   73 - HN    LEU   73   3.03 +/- 0.20  99.861% * 98.0643% (0.99   6.34 164.19) = 100.000%  kept
          QD    LYS+  99 - HN    LEU   73  11.90 +/- 0.38   0.030% *  0.2708% (0.87   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    LEU   73  13.25 +/- 0.93   0.018% *  0.2800% (0.90   0.02   0.02) =   0.000%
          QG1   ILE   56 - HN    LEU   73  11.39 +/- 0.27   0.039% *  0.0778% (0.25   0.02   0.02) =   0.000%
          HG3   PRO   93 - HN    LEU   73  14.65 +/- 0.53   0.009% *  0.2144% (0.69   0.02   0.02) =   0.000%
          HB3   MET   92 - HN    LEU   73  16.01 +/- 0.44   0.005% *  0.3094% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    LEU   73  12.28 +/- 0.91   0.026% *  0.0547% (0.18   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    LEU   73  16.74 +/- 0.44   0.004% *  0.1519% (0.49   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    LEU   73  18.07 +/- 0.77   0.002% *  0.2267% (0.73   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    LEU   73  20.76 +/- 0.72   0.001% *  0.2953% (0.95   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    LEU   73  15.84 +/- 0.23   0.005% *  0.0547% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.456, support = 5.58, residual support = 118.9:
      O   HB3   LEU   73 - HN    LEU   73   3.83 +/- 0.03  62.950% * 34.3054% (0.41   6.36 164.19) =  70.448%  kept
          HB    VAL   42 - HN    LEU   73   4.44 +/- 0.54  30.199% * 24.0677% (0.49   3.77   2.83) =  23.710%  kept
          HB3   LYS+  74 - HN    LEU   73   5.99 +/- 0.33   4.467% * 40.0269% (0.87   3.52  43.90) =   5.833%  kept
          HG12  ILE   19 - HN    LEU   73   7.10 +/- 0.17   1.550% *  0.0729% (0.28   0.02   5.03) =   0.004%
          QB    LEU   98 - HN    LEU   73   8.96 +/- 0.33   0.393% *  0.2617% (1.00   0.02   0.02) =   0.003%
          HG3   LYS+  33 - HN    LEU   73  10.99 +/- 0.36   0.116% *  0.1485% (0.57   0.02   0.02) =   0.001%
          HB2   LEU   80 - HN    LEU   73  12.77 +/- 0.94   0.051% *  0.1801% (0.69   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   73  15.63 +/- 1.96   0.032% *  0.2421% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   73  12.28 +/- 0.53   0.060% *  0.1276% (0.49   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    LEU   73  11.64 +/- 0.95   0.093% *  0.0519% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   73  13.35 +/- 0.83   0.039% *  0.0584% (0.22   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   73  16.84 +/- 0.76   0.009% *  0.2190% (0.84   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   73  13.68 +/- 0.40   0.031% *  0.0584% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   73  17.30 +/- 0.83   0.008% *  0.0984% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   73  19.84 +/- 0.31   0.003% *  0.0809% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.961, support = 7.7, residual support = 161.0:
          QD2   LEU   73 - HN    LEU   73   2.69 +/- 0.59  86.012% * 86.0741% (0.98   7.86 164.19) =  98.060%  kept
          QG1   VAL   43 - HN    LEU   73   4.32 +/- 0.51  11.000% * 13.2974% (0.38   3.17   8.15) =   1.937%
          QG2   VAL   18 - HN    LEU   73   5.35 +/- 0.62   2.168% *  0.0442% (0.20   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    LEU   73   6.56 +/- 0.27   0.635% *  0.1266% (0.57   0.02   0.95) =   0.001%
          HG    LEU   31 - HN    LEU   73   8.68 +/- 0.92   0.169% *  0.2230% (1.00   0.02   3.24) =   0.000%
          QD1   ILE   56 - HN    LEU   73  12.43 +/- 0.22   0.014% *  0.1790% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   73  16.96 +/- 0.51   0.002% *  0.0557% (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 = 0.575, support = 5.24, residual support = 127.4:
          QD1   LEU   73 - HN    LEU   73   4.16 +/- 0.09  43.011% * 79.2029% (0.57   6.34 164.19) =  77.479%  kept
          QG2   VAL   41 - HN    LEU   73   4.05 +/- 0.31  50.619% * 19.5345% (0.61   1.46   0.95) =  22.490%  kept
          QD2   LEU   98 - HN    LEU   73   6.42 +/- 0.60   3.544% *  0.1815% (0.41   0.02   0.02) =   0.015%
          QD1   LEU   63 - HN    LEU   73   7.35 +/- 0.55   1.602% *  0.2499% (0.57   0.02   0.02) =   0.009%
          QD2   LEU   63 - HN    LEU   73   8.81 +/- 0.64   0.578% *  0.4414% (1.00   0.02   0.02) =   0.006%
          QD1   LEU   80 - HN    LEU   73  10.48 +/- 1.29   0.238% *  0.1815% (0.41   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU   73   9.46 +/- 0.67   0.345% *  0.0983% (0.22   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    LEU   73  12.35 +/- 0.47   0.063% *  0.1101% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 0.523, support = 1.71, residual support = 2.15:
          QG1   VAL   42 - HN    LEU   73   4.33 +/- 0.54  82.504% * 36.2003% (0.45   1.67   2.83) =  73.173%  kept
          QB    ALA   64 - HN    LEU   73   5.75 +/- 0.26  17.356% * 63.0841% (0.73   1.80   0.31) =  26.825%  kept
          QB    ALA   47 - HN    LEU   73  13.19 +/- 0.19   0.120% *  0.5465% (0.57   0.02   0.02) =   0.002%
          HG2   LYS+ 112 - HN    LEU   73  17.66 +/- 0.77   0.020% *  0.1691% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 0 structures by 0.05 A, kept.
 
    Peak 846 (0.07, 8.95, 120.59 ppm):
    4 chemical-shift based assignments, quality = 0.248, support = 1.95, residual support = 8.1:
          QG2   VAL   43 - HN    LEU   73   4.33 +/- 0.16  85.186% * 91.8455% (0.25   1.96   8.15) =  99.333%  kept
          QD2   LEU   31 - HN    LEU   73   5.98 +/- 0.26  12.885% *  3.7501% (1.00   0.02   3.24) =   0.613%
          QG2   VAL   83 - HN    LEU   73   9.33 +/- 0.40   0.899% *  2.7231% (0.73   0.02   0.02) =   0.031%
          QD1   ILE   89 - HN    LEU   73   9.06 +/- 0.18   1.030% *  1.6813% (0.45   0.02   0.02) =   0.022%
    Distance limit 4.51 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 = 0.54, support = 4.29, residual support = 82.5:
      O   HB2   PHE   72 - HN    PHE   72   2.66 +/- 0.56  97.220% * 45.9234% (0.53   4.34  83.88) =  96.843%  kept
          HA    ALA   64 - HN    PHE   72   5.37 +/- 0.35   2.699% * 53.9348% (0.97   2.78  40.22) =   3.157%  kept
          HB3   ASN   69 - HN    PHE   72   9.80 +/- 0.41   0.072% *  0.0621% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    PHE   72  13.85 +/- 0.53   0.010% *  0.0797% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 848 (2.28, 9.36, 127.59 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 5.26, residual support = 83.8:
      O   HB3   PHE   72 - HN    PHE   72   3.26 +/- 0.52  92.433% * 97.6111% (0.76   5.27  83.88) =  99.964%  kept
          QG    GLU-  15 - HN    PHE   72   6.41 +/- 1.39   4.180% *  0.4590% (0.95   0.02   0.02) =   0.021%
          QG    GLU-  14 - HN    PHE   72   9.11 +/- 1.93   2.939% *  0.4053% (0.84   0.02   0.02) =   0.013%
          HB2   ASP-  44 - HN    PHE   72   8.50 +/- 0.35   0.397% *  0.4209% (0.87   0.02   0.02) =   0.002%
          QB    MET   11 - HN    PHE   72  16.19 +/- 2.15   0.013% *  0.4351% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    PHE   72  14.34 +/- 0.75   0.018% *  0.1655% (0.34   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    PHE   72  14.96 +/- 1.42   0.015% *  0.0850% (0.18   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   72  18.57 +/- 0.95   0.004% *  0.3333% (0.69   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    PHE   72  21.34 +/- 0.54   0.002% *  0.0850% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 849 (1.24, 9.36, 127.59 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.51, residual support = 19.3:
          HG    LEU   71 - HN    PHE   72   3.88 +/- 0.44  89.856% * 96.8923% (0.99   3.52  19.31) =  99.947%  kept
          HG13  ILE   19 - HN    PHE   72   6.44 +/- 0.32   5.073% *  0.5261% (0.95   0.02   0.02) =   0.031%
          QG2   THR   39 - HN    PHE   72   6.56 +/- 0.42   4.302% *  0.3598% (0.65   0.02   0.02) =   0.018%
          HG2   LYS+  74 - HN    PHE   72   9.75 +/- 1.15   0.522% *  0.5549% (1.00   0.02   0.02) =   0.003%
          HG3   LYS+  99 - HN    PHE   72  12.92 +/- 1.08   0.085% *  0.5562% (1.00   0.02   0.02) =   0.001%
          QG2   ILE   56 - HN    PHE   72  12.33 +/- 0.28   0.101% *  0.1238% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    PHE   72  14.89 +/- 0.44   0.032% *  0.2087% (0.38   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    PHE   72  16.57 +/- 0.41   0.017% *  0.2286% (0.41   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    PHE   72  18.79 +/- 0.60   0.008% *  0.3598% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    PHE   72  22.37 +/- 0.34   0.003% *  0.1897% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.05 A, kept.
 
    Peak 850 (0.96, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 5.29, residual support = 19.3:
          QD2   LEU   71 - HN    PHE   72   2.70 +/- 0.60  90.812% * 98.6516% (0.97   5.29  19.31) =  99.988%  kept
          QD1   LEU   67 - HN    PHE   72   5.76 +/- 1.52   8.825% *  0.1194% (0.31   0.02  34.92) =   0.012%
          QD2   LEU   40 - HN    PHE   72   7.82 +/- 0.60   0.253% *  0.1075% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HN    PHE   72   9.97 +/- 0.83   0.072% *  0.2035% (0.53   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    PHE   72  11.92 +/- 0.36   0.019% *  0.3732% (0.97   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    PHE   72  13.51 +/- 0.65   0.011% *  0.3859% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    PHE   72  13.55 +/- 0.13   0.009% *  0.1590% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 6.08, residual support = 31.3:
          HB    VAL   70 - HN    LEU   71   4.00 +/- 0.14  98.203% * 98.9003% (0.98   6.08  31.30) =  99.997%  kept
          QG    GLN   17 - HN    LEU   71   9.77 +/- 0.93   0.559% *  0.3313% (1.00   0.02   0.02) =   0.002%
          HB2   MET   96 - HN    LEU   71  11.00 +/- 0.37   0.237% *  0.2148% (0.65   0.02   0.02) =   0.001%
          HG2   GLU- 100 - HN    LEU   71   9.93 +/- 1.10   0.554% *  0.0739% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LEU   71   9.94 +/- 0.44   0.431% *  0.0923% (0.28   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LEU   71  19.08 +/- 0.58   0.009% *  0.3291% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    LEU   71  19.77 +/- 0.58   0.007% *  0.0582% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 853 (1.81, 8.15, 128.27 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 5.72, residual support = 127.3:
      O   HB2   LEU   71 - HN    LEU   71   2.59 +/- 0.41  96.834% * 98.3100% (0.98   5.72 127.31) =  99.995%  kept
          HB    VAL   41 - HN    LEU   71   5.49 +/- 0.95   3.078% *  0.1573% (0.45   0.02   2.75) =   0.005%
          QB    LYS+  66 - HN    LEU   71  10.39 +/- 0.46   0.032% *  0.2270% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU   71  11.68 +/- 0.28   0.015% *  0.3478% (0.99   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   71  11.36 +/- 0.64   0.021% *  0.1846% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   71  12.77 +/- 1.06   0.010% *  0.3502% (1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   71  12.91 +/- 0.42   0.009% *  0.1083% (0.31   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   71  20.35 +/- 0.50   0.001% *  0.3147% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.705, support = 0.0199, residual support = 22.6:
          QG2   THR   39 - HN    LEU   71   2.99 +/- 0.28  87.295% *  9.8331% (0.65   0.02   0.02) =  81.803%  kept
          HG    LEU   71 - HN    LEU   71   4.35 +/- 0.36  12.362% * 15.0657% (0.99   0.02 127.31) =  17.748%  kept
          HG3   LYS+  99 - HN    LEU   71   8.81 +/- 1.13   0.225% * 15.2002% (1.00   0.02   0.02) =   0.326%
          HG13  ILE   19 - HN    LEU   71  10.27 +/- 0.39   0.059% * 14.3788% (0.95   0.02   0.02) =   0.081%
          HG3   LYS+  38 - HN    LEU   71  11.06 +/- 0.43   0.035% *  5.7048% (0.38   0.02   0.02) =   0.019%
          HG2   LYS+  74 - HN    LEU   71  13.42 +/- 1.16   0.012% * 15.1664% (1.00   0.02   0.02) =   0.017%
          QG2   ILE   56 - HN    LEU   71  14.48 +/- 0.30   0.007% *  3.3841% (0.22   0.02   0.02) =   0.002%
          HG12  ILE   89 - HN    LEU   71  17.44 +/- 0.40   0.002% *  6.2490% (0.41   0.02   0.02) =   0.001%
          QB    ALA   91 - HN    LEU   71  20.25 +/- 0.86   0.001% *  9.8331% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    LEU   71  23.66 +/- 0.45   0.000% *  5.1849% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 856 (0.86, 8.15, 128.27 ppm):
    7 chemical-shift based assignments, quality = 0.91, support = 5.34, residual support = 77.4:
          QG1   VAL   70 - HN    LEU   71   4.12 +/- 0.12  47.817% * 53.2251% (0.98   5.30  31.30) =  51.929%  kept
          QD1   LEU   71 - HN    LEU   71   4.07 +/- 0.22  51.083% * 46.1176% (0.84   5.39 127.31) =  48.067%  kept
          QG1   VAL   18 - HN    LEU   71   9.29 +/- 0.89   0.458% *  0.2050% (1.00   0.02   0.02) =   0.002%
          HB3   LEU   63 - HN    LEU   71   9.07 +/- 0.66   0.444% *  0.1408% (0.69   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    LEU   71  11.75 +/- 1.10   0.100% *  0.1712% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    LEU   71  11.80 +/- 0.71   0.090% *  0.0998% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    LEU   71  17.76 +/- 0.81   0.008% *  0.0406% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 857 (0.19, 8.15, 128.27 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 6.15, residual support = 31.3:
          QG2   VAL   70 - HN    LEU   71   2.34 +/- 0.12 100.000% *100.0000% (0.73   6.15  31.30) = 100.000%  kept
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 858 (2.19, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 4.63, residual support = 83.5:
      O   HB    VAL   70 - HN    VAL   70   2.68 +/- 0.40  99.851% * 98.4205% (0.76   4.63  83.50) =  99.999%  kept
          QG    GLN   17 - HN    VAL   70   9.37 +/- 0.63   0.117% *  0.4644% (0.84   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    VAL   70  12.27 +/- 0.68   0.023% *  0.3148% (0.57   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    VAL   70  13.90 +/- 0.28   0.007% *  0.1897% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   70  22.85 +/- 0.76   0.000% *  0.5133% (0.92   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   70  19.84 +/- 0.75   0.001% *  0.0974% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 3 structures by 0.05 A, kept.
 
    Peak 859 (1.44, 7.98, 124.64 ppm):
    11 chemical-shift based assignments, quality = 0.857, support = 0.662, residual support = 0.104:
          HB3   LEU   67 - HN    VAL   70   2.93 +/- 0.66  78.507% * 50.1093% (0.87   0.67   0.10) =  98.855%  kept
          HG    LEU   40 - HN    VAL   70   7.09 +/- 0.65   0.710% * 39.2574% (0.61   0.75  32.81) =   0.700%
          HG    LEU   67 - HN    VAL   70   4.17 +/- 0.93  20.407% *  0.8401% (0.49   0.02   0.10) =   0.431%
          QG    LYS+  66 - HN    VAL   70   8.92 +/- 0.40   0.216% *  1.6918% (0.98   0.02   0.02) =   0.009%
          HG    LEU   73 - HN    VAL   70  10.23 +/- 0.27   0.077% *  1.7107% (0.99   0.02   0.02) =   0.003%
          QB    ALA   61 - HN    VAL   70  11.34 +/- 0.27   0.033% *  1.2533% (0.73   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    VAL   70  11.40 +/- 0.66   0.040% *  0.7096% (0.41   0.02   0.02) =   0.001%
          HG2   LYS+ 102 - HN    VAL   70  17.66 +/- 1.25   0.003% *  1.6327% (0.95   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    VAL   70  16.29 +/- 0.58   0.004% *  1.0469% (0.61   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    VAL   70  18.43 +/- 0.45   0.002% *  0.8401% (0.49   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    VAL   70  21.17 +/- 0.99   0.001% *  0.9081% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 1 structures by 0.04 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 860 (0.86, 7.98, 124.64 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 5.17, residual support = 83.5:
          QG1   VAL   70 - HN    VAL   70   2.17 +/- 0.33  99.746% * 98.3456% (0.92   5.17  83.50) =  99.999%  kept
          QD1   LEU   71 - HN    VAL   70   7.06 +/- 0.41   0.127% *  0.4124% (1.00   0.02  31.30) =   0.001%
          QD1   LEU  123 - HN    VAL   70   9.31 +/- 1.00   0.032% *  0.4124% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    VAL   70   7.88 +/- 0.52   0.072% *  0.1407% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   18 - HN    VAL   70  10.14 +/- 0.79   0.020% *  0.3445% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    VAL   70  12.53 +/- 0.53   0.004% *  0.3445% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 861 (0.18, 7.98, 124.64 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 4.21, residual support = 83.5:
          QG2   VAL   70 - HN    VAL   70   3.73 +/- 0.09 100.000% *100.0000% (0.98   4.21  83.50) = 100.000%  kept
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 862 (2.90, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.55, support = 2.99, residual support = 61.5:
      O   HB2   ASN   69 - HD22  ASN   69   3.63 +/- 0.13  99.498% * 98.4374% (0.55   2.99  61.50) =  99.999%  kept
          QE    LYS+  66 - HD22  ASN   69   9.89 +/- 1.64   0.457% *  0.1496% (0.12   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD22  ASN   69  13.84 +/- 1.51   0.042% *  0.1496% (0.12   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD22  ASN   69  25.33 +/- 0.75   0.001% *  0.6719% (0.56   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   69  29.22 +/- 0.79   0.000% *  0.4879% (0.41   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD22  ASN   69  23.02 +/- 1.04   0.002% *  0.1037% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 863 (0.86, 6.66, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.56, support = 3.29, residual support = 28.0:
          QG1   VAL   70 - HD22  ASN   69   3.16 +/- 0.78  98.845% * 97.6058% (0.56   3.29  28.01) =  99.994%  kept
          QD1   LEU  123 - HD22  ASN   69   8.45 +/- 1.20   0.659% *  0.5620% (0.53   0.02   0.02) =   0.004%
          QD1   LEU   71 - HD22  ASN   69   9.62 +/- 0.86   0.196% *  0.5620% (0.53   0.02   0.02) =   0.001%
          HB3   LEU   63 - HD22  ASN   69   9.79 +/- 0.98   0.211% *  0.3126% (0.30   0.02   0.02) =   0.001%
          HB3   LEU  104 - HD22  ASN   69  12.00 +/- 1.41   0.056% *  0.3843% (0.36   0.02   0.02) =   0.000%
          QG1   VAL   18 - HD22  ASN   69  13.12 +/- 1.16   0.034% *  0.5733% (0.54   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 864 (4.99, 8.82, 114.58 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 3.01, residual support = 3.01:
          HA    LEU   67 - HN    ASN   69   3.30 +/- 0.48 100.000% *100.0000% (0.92   3.01   3.01) = 100.000%  kept
    Distance limit 4.65 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 = 5.96, residual support = 27.2:
          HD2   PRO   68 - HN    ASN   69   2.66 +/- 0.40  99.977% * 99.1821% (0.80   5.96  27.20) = 100.000%  kept
          HA    ALA   61 - HN    ASN   69  11.93 +/- 0.64   0.021% *  0.3931% (0.95   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    ASN   69  18.19 +/- 0.40   0.001% *  0.2688% (0.65   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ASN   69  19.49 +/- 0.36   0.001% *  0.1560% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 866 (3.33, 8.82, 114.58 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.96, residual support = 27.2:
          HD3   PRO   68 - HN    ASN   69   3.65 +/- 0.38  99.974% * 98.4618% (0.99   5.96  27.20) = 100.000%  kept
          HB2   PHE   59 - HN    ASN   69  15.71 +/- 0.36   0.018% *  0.2547% (0.76   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASN   69  20.70 +/- 0.42   0.003% *  0.3217% (0.97   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASN   69  21.86 +/- 0.74   0.002% *  0.3217% (0.97   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASN   69  24.27 +/- 0.41   0.001% *  0.3326% (1.00   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASN   69  25.71 +/- 1.29   0.001% *  0.3077% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 867 (2.86, 8.82, 114.58 ppm):
    3 chemical-shift based assignments, quality = 0.454, support = 0.0198, residual support = 0.0198:
          HA    ALA   64 - HN    ASN   69   6.52 +/- 0.54  88.284% * 14.1837% (0.31   0.02   0.02) =  72.754%  kept
          QE    LYS+  66 - HN    ASN   69   9.50 +/- 0.83  11.404% * 39.8620% (0.87   0.02   0.02) =  26.412%  kept
          HB3   ASN   35 - HN    ASN   69  17.15 +/- 0.55   0.312% * 45.9543% (1.00   0.02   0.02) =   0.834%
    Distance limit 3.88 A violated in 20 structures by 2.51 A, eliminated.
    Peak unassigned.
 
    Peak 868 (2.17, 8.82, 114.58 ppm):
    9 chemical-shift based assignments, quality = 0.154, support = 3.84, residual support = 28.0:
          HB    VAL   70 - HN    ASN   69   4.15 +/- 0.24  99.174% * 89.1802% (0.15   3.84  28.01) =  99.991%  kept
          QG    GLN   17 - HN    ASN   69   9.93 +/- 0.71   0.644% *  0.5955% (0.20   0.02   0.02) =   0.004%
          HB2   LYS+  38 - HN    ASN   69  13.16 +/- 0.96   0.110% *  2.9823% (0.99   0.02   0.02) =   0.004%
          QB    GLU-  36 - HN    ASN   69  14.90 +/- 0.45   0.049% *  0.5270% (0.18   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ASN   69  21.51 +/- 0.86   0.006% *  2.4093% (0.80   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    ASN   69  19.29 +/- 0.55   0.011% *  1.2370% (0.41   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    ASN   69  24.57 +/- 0.57   0.002% *  0.8366% (0.28   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   69  28.36 +/- 0.47   0.001% *  1.8250% (0.61   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ASN   69  24.77 +/- 0.65   0.002% *  0.4072% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.60 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 = 0.88, support = 6.03, residual support = 27.2:
      O   HB3   PRO   68 - HN    ASN   69   4.25 +/- 0.24  47.005% * 86.3495% (0.99   6.04  27.20) =  87.060%  kept
          HG2   PRO   68 - HN    ASN   69   4.17 +/- 0.88  51.136% * 11.7905% (0.14   6.04  27.20) =  12.932%  kept
          QB    GLU-  15 - HN    ASN   69   8.15 +/- 1.14   1.474% *  0.2096% (0.73   0.02   0.02) =   0.007%
          HB2   GLN   17 - HN    ASN   69  11.68 +/- 0.87   0.150% *  0.2096% (0.73   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    ASN   69  13.83 +/- 0.38   0.045% *  0.1634% (0.57   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ASN   69  14.23 +/- 0.57   0.036% *  0.1634% (0.57   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASN   69  15.60 +/- 0.64   0.022% *  0.2504% (0.87   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASN   69  12.30 +/- 0.56   0.097% *  0.0506% (0.18   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASN   69  15.55 +/- 0.85   0.021% *  0.1868% (0.65   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASN   69  18.62 +/- 0.71   0.007% *  0.0643% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASN   69  23.20 +/- 0.64   0.002% *  0.2312% (0.80   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASN   69  24.80 +/- 0.76   0.001% *  0.1519% (0.53   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASN   69  23.40 +/- 0.64   0.002% *  0.0985% (0.34   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASN   69  24.73 +/- 0.64   0.001% *  0.0803% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 870 (1.88, 8.82, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.375, support = 5.51, residual support = 27.2:
          HG3   PRO   68 - HN    ASN   69   3.67 +/- 0.28  99.779% * 92.7761% (0.38   5.51  27.20) =  99.999%  kept
          HB3   LYS+  38 - HN    ASN   69  13.23 +/- 0.96   0.055% *  0.8495% (0.95   0.02   0.02) =   0.001%
          QB    LYS+  33 - HN    ASN   69  12.57 +/- 0.57   0.072% *  0.5447% (0.61   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASN   69  15.07 +/- 0.62   0.023% *  0.7191% (0.80   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASN   69  14.03 +/- 0.63   0.036% *  0.4371% (0.49   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASN   69  17.29 +/- 0.46   0.010% *  0.7191% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ASN   69  16.49 +/- 0.49   0.013% *  0.4026% (0.45   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ASN   69  20.42 +/- 0.43   0.004% *  0.8960% (1.00   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASN   69  18.82 +/- 0.58   0.006% *  0.3692% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASN   69  26.21 +/- 0.32   0.001% *  0.6863% (0.76   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ASN   69  26.14 +/- 0.41   0.001% *  0.5809% (0.65   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASN   69  24.69 +/- 0.75   0.001% *  0.4026% (0.45   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASN   69  28.08 +/- 0.78   0.001% *  0.6168% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 28.0:
          QG1   VAL   70 - HN    ASN   69   2.98 +/- 0.48  99.222% * 97.9109% (0.73   4.46  28.01) =  99.997%  kept
          HB3   LEU   63 - HN    ASN   69   8.70 +/- 0.53   0.233% *  0.5829% (0.97   0.02   0.02) =   0.001%
          QD1   LEU   71 - HN    ASN   69   8.38 +/- 0.32   0.292% *  0.2940% (0.49   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    ASN   69   8.93 +/- 1.27   0.178% *  0.2940% (0.49   0.02   0.02) =   0.001%
          QG1   VAL   18 - HN    ASN   69  11.24 +/- 0.92   0.058% *  0.5045% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    ASN   69  13.41 +/- 0.87   0.015% *  0.1195% (0.20   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    ASN   69  20.21 +/- 0.64   0.001% *  0.2940% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 872 (3.75, 7.34, 119.88 ppm):
    8 chemical-shift based assignments, quality = 0.997, support = 3.98, residual support = 17.8:
          HD2   PRO   68 - HN    LEU   67   4.29 +/- 0.59  80.075% * 99.0322% (1.00   3.99  17.82) =  99.971%  kept
          HA    ALA   61 - HN    LEU   67   7.30 +/- 0.22   4.050% *  0.4806% (0.97   0.02   0.02) =   0.025%
          HA    VAL   24 - HE3   TRP   27   5.80 +/- 0.22  15.672% *  0.0214% (0.04   0.02  24.57) =   0.004%
          HD3   PRO   58 - HN    LEU   67  13.30 +/- 0.15   0.106% *  0.1537% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HE3   TRP   27  14.65 +/- 0.34   0.058% *  0.0604% (0.12   0.02   0.02) =   0.000%
          HD2   PRO   68 - HE3   TRP   27  18.07 +/- 0.93   0.019% *  0.0625% (0.13   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LEU   67  22.11 +/- 0.40   0.005% *  0.1699% (0.34   0.02   0.02) =   0.000%
          HD3   PRO   58 - HE3   TRP   27  18.45 +/- 0.26   0.015% *  0.0193% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 5 structures by 0.10 A, kept.
 
    Peak 873 (3.34, 7.34, 119.88 ppm):
    12 chemical-shift based assignments, quality = 0.764, support = 4.03, residual support = 17.8:
          HD3   PRO   68 - HN    LEU   67   3.54 +/- 0.59  99.771% * 97.2196% (0.76   4.03  17.82) =  99.999%  kept
          HB2   PHE   59 - HN    LEU   67  11.29 +/- 0.18   0.135% *  0.2597% (0.41   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   67  16.50 +/- 0.30   0.014% *  0.4339% (0.69   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   67  17.69 +/- 0.60   0.010% *  0.5975% (0.95   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   67  20.77 +/- 1.09   0.004% *  0.6191% (0.98   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   67  20.51 +/- 0.29   0.004% *  0.5058% (0.80   0.02   0.02) =   0.000%
          HB3   CYS   53 - HE3   TRP   27  15.43 +/- 0.47   0.021% *  0.0751% (0.12   0.02   0.02) =   0.000%
          HD3   PRO   93 - HE3   TRP   27  16.77 +/- 0.46   0.013% *  0.0636% (0.10   0.02   0.02) =   0.000%
          HD3   PRO   68 - HE3   TRP   27  18.41 +/- 0.49   0.008% *  0.0607% (0.10   0.02   0.02) =   0.000%
          HB2   PHE   59 - HE3   TRP   27  16.52 +/- 0.77   0.013% *  0.0326% (0.05   0.02   0.02) =   0.000%
          QB    PHE   55 - HE3   TRP   27  19.02 +/- 0.39   0.006% *  0.0545% (0.09   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HE3   TRP   27  22.82 +/- 0.76   0.002% *  0.0778% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.01 A, kept.
 
    Peak 874 (2.85, 7.34, 119.88 ppm):
    6 chemical-shift based assignments, quality = 0.639, support = 1.23, residual support = 4.54:
          HA    ALA   64 - HN    LEU   67   3.17 +/- 0.15  98.092% * 20.3500% (0.65   0.97   4.13) =  93.146%  kept
          QE    LYS+  66 - HN    LEU   67   6.26 +/- 0.35   1.861% * 78.9481% (0.53   4.65  10.05) =   6.854%  kept
          HB3   ASN   35 - HE3   TRP   27  12.63 +/- 0.48   0.026% *  0.0678% (0.10   0.02   0.02) =   0.000%
          HA    ALA   64 - HE3   TRP   27  13.41 +/- 0.44   0.018% *  0.0525% (0.08   0.02   0.02) =   0.000%
          HB3   ASN   35 - HN    LEU   67  20.27 +/- 0.48   0.002% *  0.5390% (0.84   0.02   0.02) =   0.000%
          QE    LYS+  66 - HE3   TRP   27  20.01 +/- 0.44   0.002% *  0.0427% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 875 (1.98, 7.34, 119.88 ppm):
    18 chemical-shift based assignments, quality = 0.606, support = 5.14, residual support = 61.1:
      O   HB2   LEU   67 - HN    LEU   67   2.53 +/- 0.38  97.448% * 96.9391% (0.61   5.14  61.10) =  99.991%  kept
          HG2   PRO   68 - HN    LEU   67   5.53 +/- 0.78   2.049% *  0.4023% (0.65   0.02  17.82) =   0.009%
          HB    VAL   18 - HN    LEU   67   9.03 +/- 1.04   0.142% *  0.2122% (0.34   0.02   0.02) =   0.000%
          HB    ILE   19 - HE3   TRP   27   7.02 +/- 0.32   0.276% *  0.0443% (0.07   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    LEU   67  11.68 +/- 0.44   0.015% *  0.3521% (0.57   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LEU   67  13.92 +/- 0.23   0.005% *  0.6002% (0.97   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LEU   67  14.73 +/- 0.37   0.003% *  0.5883% (0.95   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    LEU   67  16.02 +/- 0.53   0.002% *  0.3027% (0.49   0.02   0.02) =   0.000%
          HB    VAL   18 - HE3   TRP   27  11.20 +/- 0.71   0.021% *  0.0267% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE3   TRP   27  10.17 +/- 0.18   0.032% *  0.0155% (0.02   0.02   0.02) =   0.000%
          HB2   LEU   67 - HE3   TRP   27  14.77 +/- 0.51   0.003% *  0.0474% (0.08   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   67  20.05 +/- 0.44   0.001% *  0.0960% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  115 - HE3   TRP   27  19.22 +/- 0.64   0.001% *  0.0740% (0.12   0.02   0.02) =   0.000%
          QB    GLU- 114 - HE3   TRP   27  18.46 +/- 0.61   0.001% *  0.0381% (0.06   0.02   0.02) =   0.000%
          HG3   PRO   58 - HE3   TRP   27  20.89 +/- 0.30   0.000% *  0.0755% (0.12   0.02   0.02) =   0.000%
          HG2   PRO   68 - HE3   TRP   27  19.59 +/- 0.65   0.001% *  0.0506% (0.08   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   67  25.08 +/- 0.53   0.000% *  0.1231% (0.20   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HE3   TRP   27  21.30 +/- 0.53   0.000% *  0.0121% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 876 (1.82, 7.34, 119.88 ppm):
    20 chemical-shift based assignments, quality = 0.938, support = 4.3, residual support = 9.62:
          QB    LYS+  66 - HN    LEU   67   3.26 +/- 0.27  85.091% * 77.0254% (0.95   4.42  10.05) =  95.809%  kept
          QB    LYS+  65 - HN    LEU   67   4.53 +/- 0.19  13.768% * 20.8191% (0.76   1.48   0.02) =   4.190%  kept
          HB2   LEU   71 - HN    LEU   67  10.51 +/- 0.39   0.080% *  0.2676% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    LEU   67   9.13 +/- 0.78   0.235% *  0.0820% (0.22   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU   67   9.93 +/- 0.75   0.117% *  0.1383% (0.38   0.02   0.02) =   0.000%
          HB    VAL   41 - HE3   TRP   27   8.07 +/- 0.43   0.417% *  0.0371% (0.10   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LEU   67  12.95 +/- 0.71   0.023% *  0.2951% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   71 - HE3   TRP   27   9.38 +/- 0.90   0.198% *  0.0336% (0.09   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   67  17.65 +/- 0.90   0.004% *  0.3196% (0.87   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU   67  18.39 +/- 0.62   0.003% *  0.3652% (0.99   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LEU   67  17.96 +/- 0.73   0.003% *  0.2384% (0.65   0.02   0.02) =   0.000%
          HG12  ILE  103 - HE3   TRP   27  13.00 +/- 0.31   0.022% *  0.0300% (0.08   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HE3   TRP   27  15.90 +/- 0.51   0.007% *  0.0402% (0.11   0.02   0.02) =   0.000%
          HG2   PRO   93 - HE3   TRP   27  16.78 +/- 0.58   0.005% *  0.0459% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  66 - HE3   TRP   27  17.01 +/- 0.42   0.004% *  0.0438% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  65 - HE3   TRP   27  16.51 +/- 0.41   0.005% *  0.0354% (0.10   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   67  21.73 +/- 0.50   0.001% *  0.1383% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   17 - HE3   TRP   27  14.40 +/- 0.48   0.012% *  0.0103% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   52 - HE3   TRP   27  20.08 +/- 0.38   0.002% *  0.0174% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - HE3   TRP   27  22.96 +/- 0.48   0.001% *  0.0174% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 877 (1.46, 7.34, 119.88 ppm):
    22 chemical-shift based assignments, quality = 0.779, support = 5.39, residual support = 56.1:
          HG    LEU   67 - HN    LEU   67   3.97 +/- 0.82  31.646% * 62.4952% (1.00   5.63  61.10) =  68.596%  kept
      O   HB3   LEU   67 - HN    LEU   67   3.48 +/- 0.35  46.846% * 13.2575% (0.25   4.78  61.10) =  21.541%  kept
          QG    LYS+  66 - HN    LEU   67   4.36 +/- 0.16  12.421% * 22.8762% (0.41   5.00  10.05) =   9.856%  kept
          HG    LEU   73 - HE3   TRP   27   4.79 +/- 0.42   8.327% *  0.0170% (0.08   0.02  10.76) =   0.005%
          HG    LEU   40 - HN    LEU   67  10.09 +/- 0.89   0.091% *  0.2204% (0.99   0.02   0.02) =   0.001%
          QB    ALA   61 - HN    LEU   67   7.60 +/- 0.19   0.424% *  0.0343% (0.15   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    LEU   67  10.19 +/- 0.90   0.085% *  0.0997% (0.45   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   67  11.42 +/- 0.48   0.038% *  0.1528% (0.69   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   67  12.13 +/- 0.33   0.026% *  0.1349% (0.61   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   67  13.18 +/- 0.58   0.016% *  0.2204% (0.99   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   67  13.88 +/- 0.87   0.012% *  0.1528% (0.69   0.02   0.02) =   0.000%
          HG    LEU   40 - HE3   TRP   27  12.90 +/- 0.93   0.020% *  0.0277% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   67  21.07 +/- 1.27   0.001% *  0.1615% (0.73   0.02   0.02) =   0.000%
          HG    LEU   67 - HE3   TRP   27  15.91 +/- 0.93   0.006% *  0.0279% (0.13   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE3   TRP   27  14.03 +/- 0.76   0.011% *  0.0125% (0.06   0.02   0.02) =   0.000%
          HB3   LEU  115 - HE3   TRP   27  17.96 +/- 0.48   0.002% *  0.0277% (0.12   0.02   0.02) =   0.000%
          HB3   LEU   67 - HE3   TRP   27  14.80 +/- 0.58   0.008% *  0.0070% (0.03   0.02   0.02) =   0.000%
          QB    ALA   61 - HE3   TRP   27  13.69 +/- 0.32   0.013% *  0.0043% (0.02   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE3   TRP   27  18.52 +/- 0.83   0.002% *  0.0203% (0.09   0.02   0.02) =   0.000%
          QG    LYS+  66 - HE3   TRP   27  17.93 +/- 0.57   0.003% *  0.0115% (0.05   0.02   0.02) =   0.000%
          HG    LEU  115 - HE3   TRP   27  20.26 +/- 1.05   0.001% *  0.0192% (0.09   0.02   0.02) =   0.000%
          QB    ALA  120 - HE3   TRP   27  20.31 +/- 0.22   0.001% *  0.0192% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 878 (0.96, 7.34, 119.88 ppm):
    14 chemical-shift based assignments, quality = 0.308, support = 4.28, residual support = 61.1:
          QD1   LEU   67 - HN    LEU   67   3.65 +/- 0.39  94.486% * 93.3543% (0.31   4.28  61.10) =  99.950%  kept
          QG2   ILE  119 - HN    LEU   67   7.10 +/- 0.37   2.101% *  1.3638% (0.97   0.02   0.02) =   0.032%
          QD2   LEU   71 - HN    LEU   67   8.41 +/- 0.59   0.744% *  1.3638% (0.97   0.02   0.02) =   0.011%
          QD2   LEU   71 - HE3   TRP   27   8.22 +/- 1.17   1.238% *  0.1714% (0.12   0.02   0.02) =   0.002%
          QD2   LEU   40 - HN    LEU   67   9.33 +/- 0.40   0.397% *  0.3929% (0.28   0.02   0.02) =   0.002%
          HG3   LYS+  74 - HE3   TRP   27   9.01 +/- 0.24   0.486% *  0.0935% (0.07   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    LEU   67  13.77 +/- 1.25   0.041% *  0.7435% (0.53   0.02   0.02) =   0.000%
          QD1   ILE  103 - HE3   TRP   27  11.30 +/- 0.43   0.127% *  0.1772% (0.13   0.02   0.02) =   0.000%
          QD1   ILE  103 - HN    LEU   67  16.16 +/- 0.65   0.015% *  1.4100% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  103 - HN    LEU   67  14.94 +/- 0.42   0.023% *  0.5810% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   40 - HE3   TRP   27  10.68 +/- 0.75   0.188% *  0.0494% (0.03   0.02   0.02) =   0.000%
          QD1   LEU   67 - HE3   TRP   27  12.24 +/- 0.88   0.089% *  0.0548% (0.04   0.02   0.02) =   0.000%
          QG2   ILE  103 - HE3   TRP   27  12.97 +/- 0.24   0.053% *  0.0730% (0.05   0.02   0.02) =   0.000%
          QG2   ILE  119 - HE3   TRP   27  16.83 +/- 0.32   0.011% *  0.1714% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 6.07, residual support = 27.6:
      O   HA    LYS+  65 - HN    LYS+  66   3.56 +/- 0.04  99.301% * 96.5516% (0.61   6.07  27.59) =  99.997%  kept
          HA2   GLY   16 - HN    LYS+  66   8.64 +/- 0.30   0.497% *  0.3603% (0.69   0.02   0.02) =   0.002%
          HA    ALA  120 - HN    LYS+  66  10.78 +/- 0.59   0.135% *  0.5062% (0.97   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    LYS+  66  13.46 +/- 0.55   0.035% *  0.4704% (0.90   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  66  14.55 +/- 0.30   0.021% *  0.2970% (0.57   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  66  18.09 +/- 0.21   0.006% *  0.4962% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  66  21.20 +/- 0.30   0.002% *  0.4381% (0.84   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  66  22.06 +/- 0.34   0.002% *  0.5199% (0.99   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  66  24.81 +/- 0.36   0.001% *  0.3603% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 880 (3.50, 7.27, 117.25 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 1.6, residual support = 5.66:
          HA    LEU   63 - HN    LYS+  66   3.37 +/- 0.16  99.998% * 98.5925% (0.99   1.60   5.66) = 100.000%  kept
          HB2   HIS   22 - HN    LYS+  66  23.05 +/- 0.50   0.001% *  0.8516% (0.69   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    LYS+  66  21.83 +/- 0.52   0.001% *  0.5558% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 881 (2.85, 7.27, 117.25 ppm):
    4 chemical-shift based assignments, quality = 0.874, support = 3.94, residual support = 17.4:
          HA    ALA   64 - HN    LYS+  66   4.19 +/- 0.23  73.540% * 75.3398% (0.95   3.80   6.92) =  90.058%  kept
          QE    LYS+  66 - HN    LYS+  66   5.05 +/- 0.18  25.099% * 24.3630% (0.22   5.22 112.35) =   9.939%  kept
          HB2   PHE   72 - HN    LYS+  66   8.21 +/- 0.41   1.357% *  0.0933% (0.22   0.02   0.02) =   0.002%
          HB3   ASN   35 - HN    LYS+  66  22.28 +/- 0.43   0.003% *  0.2039% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 882 (1.81, 7.27, 117.25 ppm):
    8 chemical-shift based assignments, quality = 0.767, support = 5.3, residual support = 82.8:
      O   QB    LYS+  66 - HN    LYS+  66   2.34 +/- 0.11  77.476% * 34.8337% (0.65   4.95 112.35) =  65.115%  kept
          QB    LYS+  65 - HN    LYS+  66   2.91 +/- 0.15  22.499% * 64.2609% (0.99   5.95  27.59) =  34.885%  kept
          HB3   GLN   17 - HN    LYS+  66   9.56 +/- 0.66   0.019% *  0.1146% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  66  12.44 +/- 0.39   0.004% *  0.2134% (0.98   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  66  14.58 +/- 0.65   0.001% *  0.0976% (0.45   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  66  17.39 +/- 0.68   0.000% *  0.1953% (0.90   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  66  18.93 +/- 0.76   0.000% *  0.2173% (1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  66  19.07 +/- 0.71   0.000% *  0.0672% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 883 (1.47, 7.27, 117.25 ppm):
    10 chemical-shift based assignments, quality = 0.297, support = 4.36, residual support = 91.9:
          QG    LYS+  66 - HN    LYS+  66   2.63 +/- 0.42  93.889% * 19.8513% (0.15   4.65 112.35) =  80.019%  kept
          HG    LEU   67 - HN    LYS+  66   5.67 +/- 0.93   6.018% * 77.3207% (0.87   3.22  10.05) =  19.979%  kept
          QB    ALA  120 - HN    LYS+  66  10.79 +/- 0.46   0.025% *  0.5340% (0.97   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    LYS+  66  11.76 +/- 0.83   0.018% *  0.4229% (0.76   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  66  12.52 +/- 0.82   0.011% *  0.5340% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LYS+  66  12.07 +/- 0.88   0.012% *  0.4431% (0.80   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LYS+  66  12.12 +/- 0.52   0.012% *  0.4229% (0.76   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LYS+  66  13.43 +/- 0.34   0.006% *  0.1539% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  66  13.21 +/- 0.83   0.008% *  0.1095% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LYS+  66  22.61 +/- 1.17   0.000% *  0.2077% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 3.13, residual support = 6.92:
          QB    ALA   64 - HN    LYS+  66   4.37 +/- 0.16 100.000% *100.0000% (0.95   3.13   6.92) = 100.000%  kept
    Distance limit 4.48 A violated in 0 structures by 0.03 A, kept.
 
    Peak 885 (3.96, 6.90, 114.80 ppm):
    12 chemical-shift based assignments, quality = 0.638, support = 6.08, residual support = 161.8:
      O   HA    LYS+  65 - HN    LYS+  65   2.82 +/- 0.04  99.768% * 97.8039% (0.64   6.08 161.77) =  99.999%  kept
          HA2   GLY   16 - HN    LYS+  65   7.95 +/- 0.37   0.206% *  0.3362% (0.67   0.02   0.02) =   0.001%
          HA    ALA  120 - HN    LYS+  65  12.68 +/- 0.59   0.013% *  0.3296% (0.65   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    LYS+  65  15.27 +/- 0.46   0.004% *  0.1972% (0.39   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LYS+  65  17.12 +/- 0.29   0.002% *  0.2254% (0.45   0.02   0.02) =   0.000%
          QB    SER  117 - HN    LYS+  65  15.47 +/- 0.34   0.004% *  0.0869% (0.17   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LYS+  65  20.16 +/- 0.42   0.001% *  0.2662% (0.53   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LYS+  65  19.41 +/- 0.34   0.001% *  0.1696% (0.34   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  65  18.47 +/- 0.27   0.001% *  0.1188% (0.24   0.02   0.02) =   0.000%
          QB    SER   85 - HN    LYS+  65  23.68 +/- 0.34   0.000% *  0.3362% (0.67   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  65  21.67 +/- 0.55   0.000% *  0.0689% (0.14   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  65  24.49 +/- 0.58   0.000% *  0.0610% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 886 (2.85, 6.90, 114.80 ppm):
    4 chemical-shift based assignments, quality = 0.654, support = 4.63, residual support = 26.5:
      O   HA    ALA   64 - HN    LYS+  65   3.60 +/- 0.04  95.727% * 99.5761% (0.65   4.63  26.55) =  99.995%  kept
          HB2   PHE   72 - HN    LYS+  65   6.84 +/- 0.49   2.302% *  0.1013% (0.15   0.02   0.02) =   0.002%
          QE    LYS+  66 - HN    LYS+  65   6.94 +/- 0.33   1.969% *  0.1013% (0.15   0.02  27.59) =   0.002%
          HB3   ASN   35 - HN    LYS+  65  22.00 +/- 0.55   0.002% *  0.2214% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 887 (1.82, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.528, support = 6.61, residual support = 161.8:
      O   QB    LYS+  65 - HN    LYS+  65   2.23 +/- 0.11  98.556% * 97.6966% (0.53   6.61 161.77) =  99.995%  kept
          QB    LYS+  66 - HN    LYS+  65   4.57 +/- 0.21   1.356% *  0.3661% (0.65   0.02  27.59) =   0.005%
          HB3   GLN   17 - HN    LYS+  65   7.72 +/- 0.71   0.075% *  0.0862% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LYS+  65  12.02 +/- 0.37   0.004% *  0.2810% (0.50   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  65  11.25 +/- 0.70   0.006% *  0.1453% (0.26   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    LYS+  65  14.26 +/- 0.51   0.001% *  0.3099% (0.55   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LYS+  65  16.30 +/- 0.64   0.001% *  0.3836% (0.68   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LYS+  65  19.60 +/- 0.71   0.000% *  0.3357% (0.60   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    LYS+  65  19.20 +/- 0.57   0.000% *  0.2504% (0.45   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  65  19.20 +/- 0.46   0.000% *  0.1453% (0.26   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 888 (1.48, 6.90, 114.80 ppm):
    10 chemical-shift based assignments, quality = 0.137, support = 5.43, residual support = 161.7:
          HG2   LYS+  65 - HN    LYS+  65   2.83 +/- 0.48  98.689% * 91.2895% (0.14   5.43 161.77) =  99.987%  kept
          HG    LEU   67 - HN    LYS+  65   6.91 +/- 1.06   1.138% *  0.8936% (0.36   0.02   0.02) =   0.011%
          HB2   LYS+  74 - HN    LYS+  65  11.09 +/- 0.69   0.049% *  0.8267% (0.34   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LYS+  65  12.23 +/- 0.47   0.024% *  1.6067% (0.65   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  65  12.68 +/- 1.05   0.024% *  1.6067% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    LYS+  65  12.90 +/- 1.01   0.017% *  1.6947% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LYS+  65  12.10 +/- 0.53   0.026% *  0.6983% (0.28   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LYS+  65  12.39 +/- 0.99   0.022% *  0.6983% (0.28   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  65  14.74 +/- 0.40   0.007% *  0.4235% (0.17   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+  65  16.43 +/- 0.78   0.004% *  0.2621% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.205, support = 4.96, residual support = 145.9:
          HG3   LYS+  65 - HN    LYS+  65   3.34 +/- 0.25  90.926% * 43.5095% (0.17   5.27 161.77) =  90.118%  kept
          HB2   LEU   63 - HN    LYS+  65   5.05 +/- 0.18   8.514% * 50.9327% (0.50   2.12   1.23) =   9.878%  kept
          HB3   ASP-  44 - HN    LYS+  65   9.87 +/- 0.54   0.144% *  0.5526% (0.58   0.02   0.02) =   0.002%
          HB    VAL   42 - HN    LYS+  65   8.72 +/- 0.41   0.309% *  0.1650% (0.17   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    LYS+  65  13.00 +/- 0.64   0.029% *  0.6258% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+  65  14.60 +/- 0.42   0.014% *  0.6557% (0.68   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+  65  13.09 +/- 0.49   0.026% *  0.2042% (0.21   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+  65  17.11 +/- 0.66   0.005% *  0.6557% (0.68   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  65  17.93 +/- 0.32   0.004% *  0.6601% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  65  16.87 +/- 0.48   0.006% *  0.2720% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  65  18.01 +/- 0.61   0.004% *  0.3481% (0.36   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  65  17.27 +/- 1.04   0.005% *  0.1309% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LYS+  65  16.98 +/- 0.67   0.006% *  0.1159% (0.12   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LYS+  65  19.94 +/- 0.66   0.002% *  0.2966% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  65  21.25 +/- 1.08   0.002% *  0.4013% (0.42   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  65  20.20 +/- 0.30   0.002% *  0.2483% (0.26   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  65  23.41 +/- 1.04   0.001% *  0.2257% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 891 (0.40, 6.90, 114.80 ppm):
    1 chemical-shift based assignment, quality = 0.654, support = 4.63, residual support = 26.5:
          QB    ALA   64 - HN    LYS+  65   2.62 +/- 0.26 100.000% *100.0000% (0.65   4.63  26.55) = 100.000%  kept
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 892 (3.74, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 0.75, residual support = 7.12:
          HA    ALA   61 - HN    ALA   64   3.80 +/- 0.16  98.523% * 95.1123% (0.95   0.75   7.12) =  99.968%  kept
          HD2   PRO   68 - HN    ALA   64   8.25 +/- 0.52   1.044% *  2.1470% (0.80   0.02   0.02) =   0.024%
          HD3   PRO   58 - HN    ALA   64   9.58 +/- 0.12   0.395% *  1.7345% (0.65   0.02   0.02) =   0.007%
          HA    VAL   75 - HN    ALA   64  14.20 +/- 0.28   0.038% *  1.0063% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 893 (2.85, 6.46, 118.53 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 4.23, residual support = 20.7:
      O   HA    ALA   64 - HN    ALA   64   2.80 +/- 0.04  97.723% * 99.5358% (0.95   4.23  20.69) =  99.997%  kept
          HB2   PHE   72 - HN    ALA   64   5.40 +/- 0.43   2.070% *  0.1109% (0.22   0.02  40.22) =   0.002%
          QE    LYS+  66 - HN    ALA   64   7.85 +/- 0.32   0.206% *  0.1109% (0.22   0.02   6.92) =   0.000%
          HB3   ASN   35 - HN    ALA   64  20.57 +/- 0.52   0.001% *  0.2424% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 894 (1.80, 6.46, 118.53 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 4.65, residual support = 24.7:
          QB    LYS+  65 - HN    ALA   64   4.51 +/- 0.20  64.043% * 82.1370% (0.92   4.86  26.55) =  90.347%  kept
          QB    LYS+  66 - HN    ALA   64   5.05 +/- 0.26  34.083% * 16.4749% (0.34   2.64   6.92) =   9.644%  kept
          HB3   GLN   17 - HN    ALA   64   8.75 +/- 0.35   1.237% *  0.3056% (0.84   0.02   2.45) =   0.006%
          HB2   LEU   71 - HN    ALA   64  10.83 +/- 0.39   0.346% *  0.3461% (0.95   0.02   0.02) =   0.002%
          HG2   PRO   93 - HN    ALA   64  14.31 +/- 0.63   0.065% *  0.2219% (0.61   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    ALA   64  12.32 +/- 0.42   0.155% *  0.0724% (0.20   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    ALA   64  17.74 +/- 0.70   0.018% *  0.3056% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    ALA   64  15.15 +/- 0.74   0.047% *  0.0724% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    ALA   64  21.66 +/- 0.60   0.005% *  0.0641% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 895 (1.35, 6.46, 118.53 ppm):
    17 chemical-shift based assignments, quality = 0.726, support = 6.78, residual support = 54.2:
          HB2   LEU   63 - HN    ALA   64   2.75 +/- 0.20  97.542% * 96.6047% (0.73   6.78  54.17) =  99.997%  kept
          HG3   LYS+  65 - HN    ALA   64   5.62 +/- 0.26   1.526% *  0.0979% (0.25   0.02  26.55) =   0.002%
          HB3   ASP-  44 - HN    ALA   64   7.43 +/- 0.56   0.263% *  0.3278% (0.84   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    ALA   64   6.49 +/- 0.43   0.604% *  0.0979% (0.25   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    ALA   64  12.48 +/- 0.44   0.012% *  0.3890% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   64  13.16 +/- 0.56   0.009% *  0.3713% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   64  11.41 +/- 0.40   0.020% *  0.1211% (0.31   0.02   0.31) =   0.000%
          HG    LEU   98 - HN    ALA   64  14.73 +/- 0.75   0.004% *  0.3890% (0.99   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   64  15.97 +/- 0.32   0.003% *  0.3916% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   64  15.52 +/- 0.68   0.003% *  0.2065% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   64  15.67 +/- 0.43   0.003% *  0.1614% (0.41   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    ALA   64  19.18 +/- 1.09   0.001% *  0.2381% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ALA   64  15.45 +/- 0.68   0.003% *  0.0687% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ALA   64  18.19 +/- 0.61   0.001% *  0.1760% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    ALA   64  16.39 +/- 0.87   0.002% *  0.0777% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ALA   64  18.18 +/- 0.26   0.001% *  0.1473% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   64  21.31 +/- 1.03   0.001% *  0.1339% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 896 (1.05, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 6.88, residual support = 54.2:
          HG    LEU   63 - HN    ALA   64   4.65 +/- 0.39  82.486% * 98.6096% (0.53   6.88  54.17) =  99.976%  kept
          QD1   ILE  119 - HN    ALA   64   6.16 +/- 0.33  17.131% *  0.1079% (0.20   0.02   0.02) =   0.023%
          HG3   LYS+ 112 - HN    ALA   64  14.45 +/- 0.65   0.101% *  0.5031% (0.92   0.02   0.02) =   0.001%
          HB2   LEU  104 - HN    ALA   64  13.37 +/- 0.43   0.160% *  0.2443% (0.45   0.02   0.02) =   0.000%
          QG2   VAL  108 - HN    ALA   64  14.54 +/- 0.57   0.098% *  0.3306% (0.61   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    ALA   64  18.23 +/- 0.43   0.025% *  0.2045% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 1 structures by 0.12 A, kept.
 
    Peak 897 (0.88, 6.46, 118.53 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.85, residual support = 54.2:
          HB3   LEU   63 - HN    ALA   64   3.23 +/- 0.39  95.677% * 99.3440% (0.97   6.85  54.17) =  99.994%  kept
          QG1   VAL   18 - HN    ALA   64   6.08 +/- 0.58   2.472% *  0.1581% (0.53   0.02   8.16) =   0.004%
          QG1   VAL   70 - HN    ALA   64   7.19 +/- 0.51   1.125% *  0.1235% (0.41   0.02   0.02) =   0.001%
          QD1   LEU  123 - HN    ALA   64   8.13 +/- 1.02   0.608% *  0.0669% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    ALA   64  10.49 +/- 0.84   0.107% *  0.0669% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  108 - HN    ALA   64  15.14 +/- 0.50   0.012% *  0.2406% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 1 structures by 0.02 A, kept.
 
    Peak 898 (0.57, 6.46, 118.53 ppm):
    8 chemical-shift based assignments, quality = 0.803, support = 6.23, residual support = 54.2:
          QD2   LEU   63 - HN    ALA   64   4.62 +/- 0.18  42.186% * 60.8038% (1.00   5.89  54.17) =  54.556%  kept
          QD1   LEU   63 - HN    ALA   64   4.41 +/- 0.15  55.223% * 38.6872% (0.57   6.62  54.17) =  45.440%  kept
          QD2   LEU  115 - HN    ALA   64   8.13 +/- 0.49   1.492% *  0.0514% (0.25   0.02   0.02) =   0.002%
          QG2   VAL   41 - HN    ALA   64   9.70 +/- 0.42   0.521% *  0.1251% (0.61   0.02   0.02) =   0.001%
          QD1   LEU   73 - HN    ALA   64  10.66 +/- 0.31   0.285% *  0.1168% (0.57   0.02   0.31) =   0.001%
          QD2   LEU   98 - HN    ALA   64  11.05 +/- 0.62   0.238% *  0.0848% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   64  16.31 +/- 1.22   0.024% *  0.0848% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   64  15.54 +/- 0.73   0.031% *  0.0459% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 4.23, residual support = 20.7:
      O   QB    ALA   64 - HN    ALA   64   2.05 +/- 0.09 100.000% *100.0000% (0.95   4.23  20.69) = 100.000%  kept
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 900 (4.22, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.26, residual support = 42.6:
      O   HA    ASP-  62 - HN    LEU   63   3.63 +/- 0.02  99.933% * 99.3643% (0.97   5.26  42.57) = 100.000%  kept
          HA    SER  117 - HN    LEU   63  12.43 +/- 0.37   0.063% *  0.1610% (0.41   0.02   0.02) =   0.000%
          HB    THR   26 - HN    LEU   63  21.05 +/- 0.38   0.003% *  0.3136% (0.80   0.02   0.02) =   0.000%
          HA    SER   82 - HN    LEU   63  25.81 +/- 0.33   0.001% *  0.1610% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 901 (3.93, 7.59, 120.97 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 1.5, residual support = 10.9:
          HA    PHE   60 - HN    LEU   63   3.24 +/- 0.16  99.785% * 92.4872% (0.69   1.50  10.95) =  99.998%  kept
          HA    ALA  120 - HN    LEU   63  10.08 +/- 0.60   0.123% *  0.6124% (0.34   0.02   0.02) =   0.001%
          QB    SER  117 - HN    LEU   63  12.10 +/- 0.35   0.040% *  1.7794% (0.99   0.02   0.02) =   0.001%
          HA    LYS+ 121 - HN    LEU   63  12.64 +/- 0.53   0.031% *  1.3720% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    LEU   63  14.34 +/- 0.25   0.014% *  1.2332% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    LEU   63  17.44 +/- 0.35   0.004% *  1.4995% (0.84   0.02   0.02) =   0.000%
          QB    SER   48 - HN    LEU   63  19.12 +/- 0.27   0.002% *  1.0164% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 902 (3.51, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 7.54, residual support = 245.2:
      O   HA    LEU   63 - HN    LEU   63   2.77 +/- 0.03  99.999% * 99.6052% (0.76   7.54 245.20) = 100.000%  kept
          HA2   GLY  101 - HN    LEU   63  21.39 +/- 0.54   0.000% *  0.2769% (0.80   0.02   0.02) =   0.000%
          HB2   HIS   22 - HN    LEU   63  21.48 +/- 0.38   0.000% *  0.1179% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 903 (2.65, 7.59, 120.97 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.26, residual support = 42.6:
          HB2   ASP-  62 - HN    LEU   63   2.67 +/- 0.51  99.984% * 99.7498% (0.98   5.26  42.57) = 100.000%  kept
          HB2   PRO   52 - HN    LEU   63  14.64 +/- 0.53   0.007% *  0.1736% (0.45   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    LEU   63  13.98 +/- 0.27   0.009% *  0.0766% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 5.26, residual support = 42.6:
          HB3   ASP-  62 - HN    LEU   63   3.35 +/- 0.45  99.979% * 98.9547% (0.95   5.26  42.57) = 100.000%  kept
          HG3   MET   96 - HN    LEU   63  14.53 +/- 0.42   0.018% *  0.3674% (0.92   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    LEU   63  23.69 +/- 1.86   0.001% *  0.2890% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    LEU   63  24.01 +/- 0.46   0.001% *  0.2253% (0.57   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    LEU   63  24.06 +/- 0.86   0.001% *  0.1636% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 8.04, residual support = 245.2:
      O   HB2   LEU   63 - HN    LEU   63   2.17 +/- 0.11  99.740% * 97.1234% (0.73   8.04 245.20) = 100.000%  kept
          HB3   ASP-  44 - HN    LEU   63   7.97 +/- 0.53   0.048% *  0.2778% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   63   6.52 +/- 0.47   0.152% *  0.0829% (0.25   0.02   1.23) =   0.000%
          HB    VAL   42 - HN    LEU   63   8.00 +/- 0.38   0.045% *  0.0829% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   63  11.52 +/- 0.34   0.005% *  0.3296% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   63  12.39 +/- 0.49   0.003% *  0.3146% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   63  13.13 +/- 0.44   0.002% *  0.1367% (0.41   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   63  15.67 +/- 0.83   0.001% *  0.3296% (0.99   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   63  16.51 +/- 0.30   0.001% *  0.3318% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   63  13.59 +/- 0.29   0.002% *  0.1026% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   63  15.11 +/- 0.56   0.001% *  0.1750% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   63  16.27 +/- 0.31   0.001% *  0.1248% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   63  16.58 +/- 0.67   0.001% *  0.0582% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   63  20.47 +/- 1.17   0.000% *  0.2017% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LEU   63  20.30 +/- 0.55   0.000% *  0.1491% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   63  18.94 +/- 0.91   0.000% *  0.0658% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   63  21.95 +/- 1.06   0.000% *  0.1134% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 906 (1.07, 7.59, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 7.61, residual support = 245.2:
          HG    LEU   63 - HN    LEU   63   3.00 +/- 0.60  99.689% * 99.5070% (1.00   7.61 245.20) = 100.000%  kept
          QG1   VAL  107 - HN    LEU   63   8.93 +/- 0.42   0.260% *  0.0459% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    LEU   63  11.97 +/- 0.63   0.049% *  0.1903% (0.73   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LEU   63  19.74 +/- 0.34   0.002% *  0.2568% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 5 structures by 0.17 A, kept.
 
    Peak 907 (0.88, 7.59, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 7.61, residual support = 245.2:
      O   HB3   LEU   63 - HN    LEU   63   3.42 +/- 0.12  96.561% * 99.4092% (0.97   7.61 245.20) =  99.997%  kept
          QD1   LEU  123 - HN    LEU   63   6.85 +/- 0.96   2.006% *  0.0603% (0.22   0.02   0.02) =   0.001%
          QG1   VAL   18 - HN    LEU   63   7.65 +/- 0.47   0.837% *  0.1424% (0.53   0.02   0.02) =   0.001%
          QG1   VAL   70 - HN    LEU   63   8.30 +/- 0.50   0.533% *  0.1113% (0.41   0.02   0.02) =   0.001%
          QG1   VAL  108 - HN    LEU   63  14.28 +/- 0.39   0.019% *  0.2167% (0.80   0.02   0.02) =   0.000%
          QD1   LEU   71 - HN    LEU   63  12.61 +/- 0.81   0.044% *  0.0603% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (0.58, 7.59, 120.97 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 7.37, residual support = 245.2:
          QD1   LEU   63 - HN    LEU   63   3.65 +/- 0.29  49.553% * 50.5317% (0.90   7.23 245.20) =  51.714%  kept
          QD2   LEU   63 - HN    LEU   63   3.60 +/- 0.59  47.691% * 49.0186% (0.84   7.53 245.20) =  48.281%  kept
          QD2   LEU  115 - HN    LEU   63   5.94 +/- 0.46   2.602% *  0.0883% (0.57   0.02   0.02) =   0.005%
          QD1   LEU   73 - HN    LEU   63  12.46 +/- 0.26   0.027% *  0.1398% (0.90   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   63  11.37 +/- 0.45   0.048% *  0.0433% (0.28   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   63  12.01 +/- 0.48   0.034% *  0.0481% (0.31   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   63  11.99 +/- 0.61   0.036% *  0.0241% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   63  16.88 +/- 0.67   0.004% *  0.0820% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    LEU   63  17.55 +/- 1.27   0.004% *  0.0241% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 909 (2.65, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.845, support = 3.84, residual support = 41.0:
      O   HB2   ASP-  62 - HN    ASP-  62   2.59 +/- 0.27  99.990% * 99.6574% (0.84   3.84  41.02) = 100.000%  kept
          HB2   PRO   52 - HN    ASP-  62  13.83 +/- 0.51   0.005% *  0.2377% (0.39   0.02   0.02) =   0.000%
          QB    ASP- 113 - HN    ASP-  62  14.31 +/- 0.24   0.004% *  0.1049% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.01 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   2.42 +/- 0.22  99.999% * 98.5730% (0.82   3.84  41.02) = 100.000%  kept
          HG3   MET   96 - HN    ASP-  62  16.26 +/- 0.42   0.001% *  0.5015% (0.80   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HN    ASP-  62  25.37 +/- 1.88   0.000% *  0.3945% (0.63   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    ASP-  62  25.09 +/- 0.48   0.000% *  0.3076% (0.49   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    ASP-  62  24.83 +/- 0.89   0.000% *  0.2234% (0.35   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 911 (1.84, 7.86, 120.86 ppm):
    14 chemical-shift based assignments, quality = 0.339, support = 0.0186, residual support = 0.0186:
          QB    LYS+  66 - HN    ASP-  62   6.04 +/- 0.37  91.251% *  5.0993% (0.32   0.02   0.02) =  85.492%  kept
          HG    LEU  123 - HN    ASP-  62  10.71 +/- 0.58   3.242% * 12.8527% (0.82   0.02   0.02) =   7.655%  kept
          HG3   PRO   68 - HN    ASP-  62  12.64 +/- 0.38   1.199% *  8.7895% (0.56   0.02   0.02) =   1.937%
          HG2   ARG+  54 - HN    ASP-  62  12.92 +/- 0.61   1.082% *  7.6923% (0.49   0.02   0.02) =   1.529%
          HB3   ASP- 105 - HN    ASP-  62  13.65 +/- 0.40   0.717% *  7.1484% (0.45   0.02   0.02) =   0.941%
          HB3   PRO   52 - HN    ASP-  62  15.30 +/- 0.48   0.362% * 12.8527% (0.82   0.02   0.02) =   0.856%
          HG2   PRO   93 - HN    ASP-  62  12.72 +/- 0.60   1.104% *  2.3795% (0.15   0.02   0.02) =   0.482%
          HB    VAL   41 - HN    ASP-  62  15.94 +/- 0.48   0.295% *  7.6923% (0.49   0.02   0.02) =   0.416%
          QB    LYS+ 106 - HN    ASP-  62  15.09 +/- 0.39   0.398% *  3.3879% (0.21   0.02   0.02) =   0.248%
          HG12  ILE  103 - HN    ASP-  62  19.23 +/- 0.64   0.093% *  9.8662% (0.63   0.02   0.02) =   0.169%
          QB    LYS+  33 - HN    ASP-  62  18.48 +/- 0.48   0.118% *  5.5858% (0.35   0.02   0.02) =   0.121%
          HB    ILE  103 - HN    ASP-  62  20.51 +/- 0.36   0.062% *  8.2409% (0.52   0.02   0.02) =   0.094%
          HB3   GLN   90 - HN    ASP-  62  22.33 +/- 0.53   0.039% *  4.6346% (0.29   0.02   0.02) =   0.033%
          QB    LYS+  81 - HN    ASP-  62  22.30 +/- 0.42   0.038% *  3.7777% (0.24   0.02   0.02) =   0.027%
    Distance limit 4.35 A violated in 20 structures by 1.65 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 = 8.25:
          QB    ALA   61 - HN    ASP-  62   2.75 +/- 0.13  97.936% * 94.7960% (0.80   2.79   8.25) =  99.990%  kept
          QG    LYS+  66 - HN    ASP-  62   5.47 +/- 0.74   1.935% *  0.4468% (0.52   0.02   0.02) =   0.009%
          HB3   LEU   67 - HN    ASP-  62   9.61 +/- 0.50   0.057% *  0.5898% (0.69   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ASP-  62  10.47 +/- 0.44   0.034% *  0.7366% (0.86   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  11.56 +/- 0.56   0.020% *  0.3585% (0.42   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  14.94 +/- 0.21   0.004% *  0.7301% (0.85   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  13.91 +/- 0.31   0.006% *  0.3028% (0.35   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  15.74 +/- 0.88   0.003% *  0.3875% (0.45   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  20.44 +/- 1.11   0.001% *  0.7349% (0.86   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.36 +/- 0.49   0.002% *  0.1837% (0.21   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  21.92 +/- 0.86   0.000% *  0.5060% (0.59   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  24.28 +/- 1.05   0.000% *  0.2273% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 913 (1.82, 7.59, 120.97 ppm):
    10 chemical-shift based assignments, quality = 0.856, support = 1.54, residual support = 3.46:
          QB    LYS+  66 - HN    LEU   63   4.56 +/- 0.35  56.983% * 41.0581% (0.95   1.16   5.66) =  50.489%  kept
          QB    LYS+  65 - HN    LEU   63   4.81 +/- 0.23  41.553% * 55.2010% (0.76   1.93   1.23) =  49.500%  kept
          HG    LEU  123 - HN    LEU   63   9.15 +/- 0.51   0.894% *  0.2805% (0.38   0.02   0.02) =   0.005%
          HG2   PRO   93 - HN    LEU   63  13.07 +/- 0.61   0.099% *  0.7407% (0.99   0.02   0.02) =   0.002%
          HB2   LEU   71 - HN    LEU   63  13.22 +/- 0.36   0.092% *  0.5427% (0.73   0.02   0.02) =   0.001%
          HB3   GLN   17 - HN    LEU   63  11.17 +/- 0.42   0.257% *  0.1664% (0.22   0.02   0.02) =   0.001%
          HB    VAL   41 - HN    LEU   63  14.12 +/- 0.43   0.062% *  0.5984% (0.80   0.02   0.02) =   0.001%
          HG12  ILE  103 - HN    LEU   63  17.24 +/- 0.67   0.019% *  0.4835% (0.65   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    LEU   63  18.18 +/- 0.58   0.014% *  0.6483% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU   63  16.21 +/- 0.51   0.027% *  0.2805% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.66 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 = 5.02, residual support = 41.7:
      O   HA    PHE   60 - HN    ALA   61   3.63 +/- 0.01  99.839% * 97.6299% (0.69   5.02  41.70) =  99.999%  kept
          QB    SER  117 - HN    ALA   61  14.24 +/- 0.35   0.028% *  0.5613% (0.99   0.02   0.02) =   0.000%
          HB    THR   94 - HN    ALA   61  13.40 +/- 0.37   0.040% *  0.3890% (0.69   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    ALA   61  13.86 +/- 0.40   0.033% *  0.4731% (0.84   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    ALA   61  13.85 +/- 0.57   0.033% *  0.1932% (0.34   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    ALA   61  16.40 +/- 0.45   0.012% *  0.4328% (0.76   0.02   0.02) =   0.000%
          QB    SER   48 - HN    ALA   61  15.89 +/- 0.32   0.014% *  0.3206% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 915 (3.74, 7.72, 117.18 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.75, residual support = 17.9:
      O   HA    ALA   61 - HN    ALA   61   2.76 +/- 0.02  98.485% * 98.6174% (0.95   2.75  17.90) =  99.992%  kept
          HD3   PRO   58 - HN    ALA   61   5.56 +/- 0.10   1.496% *  0.4907% (0.65   0.02   1.11) =   0.008%
          HD2   PRO   68 - HN    ALA   61  12.68 +/- 0.52   0.011% *  0.6073% (0.80   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA   61  13.33 +/- 0.23   0.008% *  0.2847% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 916 (3.41, 7.72, 117.18 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.88, residual support = 41.7:
          HB2   PHE   60 - HN    ALA   61   2.56 +/- 0.49  99.915% * 99.4658% (0.84   4.88  41.70) = 100.000%  kept
          HB    THR   46 - HN    ALA   61   9.12 +/- 0.40   0.083% *  0.0966% (0.20   0.02   0.02) =   0.000%
          HB2   TRP   87 - HN    ALA   61  17.26 +/- 0.42   0.002% *  0.4377% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 917 (2.97, 7.72, 117.18 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 5.02, residual support = 41.7:
          HB3   PHE   60 - HN    ALA   61   3.17 +/- 0.59  99.966% * 99.1955% (0.98   5.02  41.70) = 100.000%  kept
          HB2   PHE   97 - HN    ALA   61  14.16 +/- 0.39   0.019% *  0.1658% (0.41   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    ALA   61  16.81 +/- 0.81   0.007% *  0.3498% (0.87   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   61  16.87 +/- 0.41   0.006% *  0.1513% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ALA   61  22.53 +/- 0.58   0.001% *  0.1376% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 918 (1.44, 7.72, 117.18 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 4.0, residual support = 17.9:
      O   QB    ALA   61 - HN    ALA   61   2.08 +/- 0.08  99.910% * 95.4585% (0.73   4.00  17.90) = 100.000%  kept
          QG    LYS+  66 - HN    ALA   61   7.72 +/- 0.73   0.046% *  0.6444% (0.98   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   61   8.96 +/- 0.34   0.016% *  0.3987% (0.61   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   61   9.46 +/- 0.45   0.012% *  0.3200% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   61  10.61 +/- 0.58   0.006% *  0.5702% (0.87   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   61  11.05 +/- 0.90   0.005% *  0.3200% (0.49   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ALA   61  12.69 +/- 0.28   0.002% *  0.6516% (0.99   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   61  14.40 +/- 1.05   0.001% *  0.3987% (0.61   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ALA   61  13.63 +/- 0.24   0.001% *  0.2703% (0.41   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   61  18.11 +/- 1.13   0.000% *  0.3459% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   61  24.39 +/- 0.94   0.000% *  0.6218% (0.95   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 920 (3.72, 7.25, 119.50 ppm):
    4 chemical-shift based assignments, quality = 0.756, support = 6.06, residual support = 37.7:
          HD3   PRO   58 - HN    PHE   59   2.26 +/- 0.03  99.882% * 99.4964% (0.76   6.06  37.68) = 100.000%  kept
          HA    ALA   61 - HN    PHE   59   6.98 +/- 0.10   0.116% *  0.1142% (0.26   0.02   0.75) =   0.000%
          HA    VAL   75 - HN    PHE   59  15.67 +/- 0.29   0.001% *  0.3231% (0.74   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    PHE   59  14.87 +/- 0.73   0.001% *  0.0663% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 921 (3.33, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.765, support = 4.37, residual support = 54.7:
      O   HB2   PHE   59 - HN    PHE   59   2.39 +/- 0.19  99.624% * 98.1858% (0.76   4.37  54.73) =  99.998%  kept
          QB    PHE   55 - HN    PHE   59   6.44 +/- 0.29   0.295% *  0.4286% (0.73   0.02   0.02) =   0.001%
          HB3   CYS   53 - HN    PHE   59   8.89 +/- 0.62   0.051% *  0.3113% (0.53   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    PHE   59  10.70 +/- 0.89   0.017% *  0.2748% (0.47   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    PHE   59  11.27 +/- 0.20   0.010% *  0.3931% (0.67   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   59  14.00 +/- 0.68   0.003% *  0.4064% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 922 (3.17, 7.25, 119.50 ppm):
    3 chemical-shift based assignments, quality = 0.669, support = 4.98, residual support = 54.7:
      O   HB3   PHE   59 - HN    PHE   59   2.34 +/- 0.18  99.968% * 99.8372% (0.67   4.98  54.73) = 100.000%  kept
          HB2   PHE   95 - HN    PHE   59   9.14 +/- 0.24   0.031% *  0.0713% (0.12   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    PHE   59  17.24 +/- 0.26   0.001% *  0.0915% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 923 (2.38, 7.25, 119.50 ppm):
    6 chemical-shift based assignments, quality = 0.192, support = 6.26, residual support = 37.7:
      O   HB2   PRO   58 - HN    PHE   59   4.22 +/- 0.06  99.143% * 95.4371% (0.19   6.26  37.68) =  99.991%  kept
          HB2   GLN  116 - HN    PHE   59   9.58 +/- 0.55   0.780% *  1.0210% (0.64   0.02   0.02) =   0.008%
          HB3   PHE   97 - HN    PHE   59  14.60 +/- 0.27   0.059% *  0.8397% (0.53   0.02   0.02) =   0.001%
          QG    GLU-  79 - HN    PHE   59  18.96 +/- 0.90   0.013% *  0.9788% (0.62   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    PHE   59  24.59 +/- 0.45   0.003% *  1.1284% (0.71   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    PHE   59  24.20 +/- 0.54   0.003% *  0.5950% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 924 (2.08, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.756, support = 6.26, residual support = 37.7:
          HG2   PRO   58 - HN    PHE   59   2.84 +/- 0.12  99.751% * 98.7206% (0.76   6.26  37.68) = 100.000%  kept
          HB2   PRO   93 - HN    PHE   59   8.66 +/- 0.29   0.132% *  0.1322% (0.32   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    PHE   59  11.66 +/- 0.70   0.023% *  0.3153% (0.76   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    PHE   59   9.41 +/- 0.52   0.083% *  0.0563% (0.14   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   59  14.09 +/- 0.37   0.007% *  0.0435% (0.10   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    PHE   59  20.63 +/- 1.61   0.001% *  0.3209% (0.77   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    PHE   59  16.83 +/- 0.89   0.002% *  0.0894% (0.21   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    PHE   59  28.78 +/- 2.01   0.000% *  0.3217% (0.77   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (1.90, 7.25, 119.50 ppm):
    8 chemical-shift based assignments, quality = 0.692, support = 6.26, residual support = 37.7:
      O   HB3   PRO   58 - HN    PHE   59   3.30 +/- 0.11  96.161% * 98.7972% (0.69   6.26  37.68) =  99.996%  kept
          HB    ILE   56 - HN    PHE   59   5.68 +/- 0.13   3.801% *  0.0877% (0.19   0.02  15.72) =   0.004%
          HB2   MET   92 - HN    PHE   59  14.19 +/- 0.62   0.016% *  0.2555% (0.56   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   59  14.02 +/- 0.28   0.017% *  0.0877% (0.19   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   59  19.71 +/- 0.39   0.002% *  0.1992% (0.44   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   59  20.87 +/- 1.55   0.002% *  0.1851% (0.41   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   59  29.02 +/- 2.11   0.000% *  0.2555% (0.56   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   59  25.51 +/- 0.37   0.000% *  0.1321% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 3.21, residual support = 15.7:
          QG1   ILE   56 - HN    PHE   59   4.11 +/- 0.20  99.544% * 97.0091% (0.67   3.21  15.72) =  99.999%  kept
          HB3   MET   92 - HN    PHE   59  12.68 +/- 0.37   0.121% *  0.3124% (0.35   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    PHE   59  12.60 +/- 0.60   0.123% *  0.2377% (0.26   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    PHE   59  15.38 +/- 0.63   0.038% *  0.5580% (0.62   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    PHE   59  15.03 +/- 0.31   0.043% *  0.4227% (0.47   0.02   0.02) =   0.000%
          QD    LYS+  99 - HN    PHE   59  17.31 +/- 0.42   0.018% *  0.5821% (0.64   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    PHE   59  13.58 +/- 0.62   0.081% *  0.1075% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    PHE   59  19.10 +/- 0.82   0.010% *  0.5326% (0.59   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    PHE   59  16.94 +/- 0.16   0.021% *  0.2377% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.01 A, kept.
 
    Peak 927 (3.76, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.331, support = 0.0194, residual support = 1.93:
          HA    ALA   61 - HN    ALA   57   8.57 +/- 0.26  98.416% * 14.7090% (0.34   0.02   1.99) =  97.159%  kept
          HD2   PRO   68 - HN    ALA   57  18.13 +/- 0.79   1.127% * 22.6869% (0.53   0.02   0.02) =   1.716%
          HA    VAL   24 - HN    ALA   57  22.02 +/- 0.42   0.347% * 41.6148% (0.97   0.02   0.02) =   0.970%
          HA    LYS+  38 - HN    ALA   57  26.64 +/- 0.51   0.110% * 20.9893% (0.49   0.02   0.02) =   0.154%
    Distance limit 3.55 A violated in 20 structures by 5.02 A, eliminated.
    Peak unassigned.
 
    Peak 928 (3.36, 7.41, 127.14 ppm):
    4 chemical-shift based assignments, quality = 0.356, support = 0.02, residual support = 0.02:
          HB3   CYS   53 - HN    ALA   57   5.94 +/- 0.64  68.938% * 30.3140% (0.34   0.02   0.02) =  67.240%  kept
          HD2   ARG+  54 - HN    ALA   57   7.18 +/- 0.99  24.919% * 36.5352% (0.41   0.02   0.02) =  29.294%  kept
          HD3   PRO   93 - HN    ALA   57   9.15 +/- 0.20   5.987% * 17.5871% (0.20   0.02   0.02) =   3.388%  kept
          HD3   PRO   68 - HN    ALA   57  17.27 +/- 0.73   0.156% * 15.5637% (0.18   0.02   0.02) =   0.078%
    Distance limit 4.50 A violated in 17 structures by 1.08 A, eliminated.
    Peak unassigned.
 
    Peak 929 (1.90, 7.41, 127.14 ppm):
    8 chemical-shift based assignments, quality = 0.521, support = 4.55, residual support = 24.9:
          HB    ILE   56 - HN    ALA   57   4.28 +/- 0.10  81.242% * 23.6554% (0.25   4.79  25.38) =  57.974%  kept
          HB3   PRO   58 - HN    ALA   57   5.49 +/- 0.12  18.553% * 75.0889% (0.90   4.23  24.13) =  42.024%  kept
          HB2   MET   92 - HN    ALA   57  12.56 +/- 0.91   0.148% *  0.2877% (0.73   0.02   0.02) =   0.001%
          HB3   MET   96 - HN    ALA   57  15.09 +/- 0.52   0.044% *  0.0988% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ALA   57  20.58 +/- 0.43   0.007% *  0.2243% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    ALA   57  21.90 +/- 1.70   0.005% *  0.2085% (0.53   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ALA   57  30.00 +/- 2.45   0.001% *  0.2877% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ALA   57  28.17 +/- 0.57   0.001% *  0.1487% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.21 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   2.11 +/- 0.20  99.980% * 97.7420% (0.92   4.58  23.20) = 100.000%  kept
          HD2   LYS+  74 - HN    ALA   57  10.03 +/- 0.65   0.011% *  0.4583% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ALA   57  13.65 +/- 0.84   0.003% *  0.4146% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  65 - HN    ALA   57  11.87 +/- 0.88   0.005% *  0.2250% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HN    ALA   57  16.72 +/- 0.67   0.001% *  0.2432% (0.53   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ALA   57  17.80 +/- 1.02   0.000% *  0.2991% (0.65   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ALA   57  22.13 +/- 1.16   0.000% *  0.2991% (0.65   0.02   0.02) =   0.000%
          HB    VAL   83 - HN    ALA   57  20.85 +/- 0.50   0.000% *  0.1901% (0.41   0.02   0.02) =   0.000%
          QD    LYS+  38 - HN    ALA   57  27.16 +/- 0.46   0.000% *  0.1285% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 25.4:
          QG2   ILE   56 - HN    ALA   57   3.46 +/- 0.19  99.816% * 97.1287% (0.87   4.66  25.38) =  99.999%  kept
          HG2   LYS+  74 - HN    ALA   57  10.84 +/- 0.86   0.117% *  0.2156% (0.45   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   57  13.18 +/- 1.08   0.045% *  0.4640% (0.97   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ALA   57  18.62 +/- 0.56   0.004% *  0.4640% (0.97   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ALA   57  17.69 +/- 0.32   0.006% *  0.3303% (0.69   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ALA   57  18.43 +/- 0.42   0.004% *  0.3303% (0.69   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ALA   57  19.75 +/- 0.69   0.003% *  0.1977% (0.41   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   57  19.41 +/- 0.34   0.003% *  0.1640% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ALA   57  23.88 +/- 0.78   0.001% *  0.2340% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   57  29.39 +/- 0.65   0.000% *  0.4713% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 932 (2.88, 7.68, 113.30 ppm):
    5 chemical-shift based assignments, quality = 0.363, support = 3.63, residual support = 61.5:
      O   HB2   ASN   69 - HD21  ASN   69   2.53 +/- 0.27  99.960% * 98.2919% (0.36   3.63  61.50) = 100.000%  kept
          QE    LYS+  66 - HD21  ASN   69  10.44 +/- 1.48   0.038% *  0.6988% (0.47   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD21  ASN   69  16.65 +/- 1.61   0.002% *  0.4401% (0.30   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HD21  ASN   69  24.77 +/- 0.61   0.000% *  0.4401% (0.30   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   69  28.73 +/- 0.69   0.000% *  0.1291% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 933 (0.88, 7.68, 113.30 ppm):
    6 chemical-shift based assignments, quality = 0.318, support = 4.15, residual support = 28.0:
          QG1   VAL   70 - HD21  ASN   69   3.14 +/- 0.75  99.102% * 97.4975% (0.32   4.15  28.01) =  99.996%  kept
          HB3   LEU   63 - HD21  ASN   69   9.97 +/- 0.90   0.183% *  0.8297% (0.56   0.02   0.02) =   0.002%
          QD1   LEU  123 - HD21  ASN   69   9.26 +/- 1.32   0.337% *  0.2830% (0.19   0.02   0.02) =   0.001%
          QD1   LEU   71 - HD21  ASN   69   8.75 +/- 0.94   0.327% *  0.2830% (0.19   0.02   0.02) =   0.001%
          QG1   VAL   18 - HD21  ASN   69  12.62 +/- 1.00   0.049% *  0.5700% (0.39   0.02   0.02) =   0.000%
          QG1   VAL  108 - HD21  ASN   69  20.65 +/- 0.95   0.002% *  0.5368% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 0.368, support = 0.0193, residual support = 0.0193:
          HA    LEU  123 - HD21  ASN   69  10.29 +/- 1.29  27.609% * 14.3693% (0.39   0.02   0.02) =  44.104%  kept
          HA    LYS+  99 - HD21  ASN   69  10.91 +/- 1.81  13.959% * 19.7883% (0.53   0.02   0.02) =  30.709%  kept
          HA    LEU   40 - HD21  ASN   69   8.79 +/- 1.66  52.750% *  2.8311% (0.08   0.02   0.02) =  16.602%  kept
          HA    ASN   35 - HD21  ASN   69  14.43 +/- 1.72   2.492% * 17.4728% (0.47   0.02   0.02) =   4.840%  kept
          HA    PHE   59 - HD21  ASN   69  15.38 +/- 1.07   2.502% *  8.6000% (0.23   0.02   0.02) =   2.392%
          HA    ILE   56 - HD21  ASN   69  19.92 +/- 0.93   0.501% * 16.7505% (0.45   0.02   0.02) =   0.933%
          HA    ASP- 113 - HD21  ASN   69  23.09 +/- 0.99   0.188% * 20.1881% (0.54   0.02   0.02) =   0.421%
    Distance limit 4.86 A violated in 20 structures by 2.95 A, eliminated.
    Peak unassigned.
 
    Peak 935 (3.33, 7.59, 115.08 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.28, residual support = 15.2:
          QB    PHE   55 - HN    ILE   56   2.92 +/- 0.31  92.963% * 97.6879% (0.97   4.28  15.20) =  99.967%  kept
          HB3   CYS   53 - HN    ILE   56   5.15 +/- 0.29   3.801% *  0.4568% (0.97   0.02   0.02) =   0.019%
          HB2   PHE   59 - HN    ILE   56   5.86 +/- 0.44   1.955% *  0.3617% (0.76   0.02  15.72) =   0.008%
          HD2   ARG+  54 - HN    ILE   56   7.04 +/- 0.53   0.751% *  0.4369% (0.92   0.02   0.02) =   0.004%
          HD3   PRO   93 - HN    ILE   56   7.01 +/- 0.27   0.522% *  0.4723% (1.00   0.02   0.02) =   0.003%
          HD3   PRO   68 - HN    ILE   56  19.11 +/- 0.61   0.001% *  0.4692% (0.99   0.02   0.02) =   0.000%
          HD3   PRO   93 - HZ2   TRP   87  18.51 +/- 0.47   0.002% *  0.0205% (0.04   0.02   0.02) =   0.000%
          HB3   CYS   53 - HZ2   TRP   87  19.19 +/- 0.83   0.001% *  0.0198% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   59 - HZ2   TRP   87  18.79 +/- 0.73   0.002% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HD3   PRO   68 - HZ2   TRP   87  20.65 +/- 0.87   0.001% *  0.0204% (0.04   0.02   0.02) =   0.000%
          QB    PHE   55 - HZ2   TRP   87  21.20 +/- 0.68   0.001% *  0.0198% (0.04   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HZ2   TRP   87  26.85 +/- 0.90   0.000% *  0.0190% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.03 A, kept.
 
    Peak 936 (1.89, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.867, support = 5.99, residual support = 112.6:
      O   HB    ILE   56 - HN    ILE   56   2.35 +/- 0.10  99.005% * 97.6325% (0.87   5.99 112.56) =  99.999%  kept
          HG2   ARG+  54 - HN    ILE   56   5.76 +/- 0.80   0.781% *  0.0658% (0.18   0.02   0.02) =   0.001%
          HB3   PRO   58 - HN    ILE   56   7.44 +/- 0.30   0.106% *  0.3008% (0.80   0.02   0.19) =   0.000%
          HB2   MET   92 - HN    ILE   56  10.37 +/- 0.90   0.019% *  0.3553% (0.95   0.02   0.02) =   0.000%
          HB3   GLN   30 - HZ2   TRP   87   8.99 +/- 0.54   0.036% *  0.0163% (0.04   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ILE   56  14.12 +/- 0.41   0.002% *  0.1684% (0.45   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ILE   56  16.76 +/- 0.71   0.001% *  0.1281% (0.34   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HZ2   TRP   87  11.00 +/- 0.50   0.011% *  0.0073% (0.02   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ILE   56  16.05 +/- 0.27   0.001% *  0.0743% (0.20   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ILE   56  21.39 +/- 0.36   0.000% *  0.3748% (1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ILE   56  18.49 +/- 0.52   0.000% *  0.1544% (0.41   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   87  10.12 +/- 0.34   0.017% *  0.0025% (0.01   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   87  11.32 +/- 0.49   0.008% *  0.0045% (0.01   0.02   0.02) =   0.000%
          QB    LYS+  81 - HZ2   TRP   87  12.76 +/- 0.18   0.004% *  0.0067% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HZ2   TRP   87  14.95 +/- 0.87   0.002% *  0.0157% (0.04   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ILE   56  23.14 +/- 0.35   0.000% *  0.1044% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ILE   56  29.04 +/- 0.30   0.000% *  0.3625% (0.97   0.02   0.02) =   0.000%
          HB3   GLN   90 - HZ2   TRP   87  14.75 +/- 1.15   0.002% *  0.0056% (0.01   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ILE   56  21.55 +/- 0.37   0.000% *  0.0580% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ILE   56  21.50 +/- 0.69   0.000% *  0.0508% (0.14   0.02   0.02) =   0.000%
          HB2   MET   92 - HZ2   TRP   87  18.07 +/- 0.39   0.001% *  0.0154% (0.04   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   87  14.15 +/- 0.63   0.002% *  0.0032% (0.01   0.02   0.02) =   0.000%
          HB    ILE   56 - HZ2   TRP   87  19.65 +/- 0.52   0.000% *  0.0141% (0.04   0.02   0.02) =   0.000%
          HB3   PRO   58 - HZ2   TRP   87  23.36 +/- 0.57   0.000% *  0.0131% (0.03   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    ILE   56  31.87 +/- 2.47   0.000% *  0.0580% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   87  21.72 +/- 1.14   0.000% *  0.0022% (0.01   0.02   0.02) =   0.000%
          HG3   MET   11 - HZ2   TRP   87  26.19 +/- 4.21   0.000% *  0.0025% (0.01   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HZ2   TRP   87  24.81 +/- 0.87   0.000% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 5.17, residual support = 112.6:
          QG1   ILE   56 - HN    ILE   56   4.13 +/- 0.05  95.625% * 98.0277% (0.87   5.17 112.56) =  99.997%  kept
          HB3   MET   92 - HN    ILE   56   9.05 +/- 0.65   0.991% *  0.1958% (0.45   0.02   0.02) =   0.002%
          HD2   LYS+ 111 - HN    ILE   56  10.81 +/- 0.78   0.358% *  0.1490% (0.34   0.02   2.30) =   0.001%
          HB2   LEU   73 - HZ2   TRP   87   8.30 +/- 0.65   1.636% *  0.0115% (0.03   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HN    ILE   56  16.21 +/- 0.58   0.027% *  0.3498% (0.80   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HZ2   TRP   87  10.92 +/- 1.59   0.440% *  0.0152% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   73 - HN    ILE   56  16.44 +/- 0.31   0.024% *  0.2649% (0.61   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    ILE   56  15.26 +/- 0.30   0.038% *  0.1490% (0.34   0.02   0.02) =   0.000%
          HB    ILE   89 - HZ2   TRP   87   9.79 +/- 0.25   0.546% *  0.0065% (0.01   0.02  13.37) =   0.000%
          QD    LYS+  99 - HN    ILE   56  20.69 +/- 0.31   0.006% *  0.3648% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HZ2   TRP   87  12.30 +/- 0.49   0.143% *  0.0145% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  99 - HZ2   TRP   87  13.00 +/- 0.44   0.101% *  0.0158% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HN    ILE   56  22.44 +/- 0.68   0.004% *  0.3338% (0.76   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ILE   56  18.31 +/- 0.45   0.013% *  0.0674% (0.15   0.02   0.02) =   0.000%
          QG1   ILE   56 - HZ2   TRP   87  16.20 +/- 0.40   0.027% *  0.0164% (0.04   0.02   0.02) =   0.000%
          HB3   MET   92 - HZ2   TRP   87  17.60 +/- 0.41   0.016% *  0.0085% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HZ2   TRP   87  23.43 +/- 0.95   0.003% *  0.0065% (0.01   0.02   0.02) =   0.000%
          HB2   LEU  123 - HZ2   TRP   87  23.86 +/- 0.80   0.003% *  0.0029% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 1 structures by 0.18 A, kept.
 
    Peak 938 (1.45, 7.59, 115.08 ppm):
    28 chemical-shift based assignments, quality = 0.198, support = 0.983, residual support = 6.91:
          QB    ALA  110 - HN    ILE   56   3.28 +/- 0.56  96.468% * 55.4381% (0.20   0.98   6.92) =  99.850%  kept
          HB3   LEU  115 - HN    ILE   56   7.68 +/- 0.43   0.739% *  5.2534% (0.92   0.02   0.02) =   0.072%
          HG    LEU  115 - HN    ILE   56   7.99 +/- 0.57   0.902% *  2.1359% (0.38   0.02   0.02) =   0.036%
          QB    ALA   61 - HN    ILE   56   7.79 +/- 0.25   0.815% *  2.1359% (0.38   0.02   0.02) =   0.033%
          HG    LEU   73 - HZ2   TRP   87   8.59 +/- 0.79   0.621% *  0.2215% (0.04   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    ILE   56  13.35 +/- 0.66   0.032% *  4.1325% (0.73   0.02   0.02) =   0.002%
          QB    ALA  120 - HN    ILE   56  13.89 +/- 0.38   0.024% *  2.1359% (0.38   0.02   0.02) =   0.001%
          HG    LEU   73 - HN    ILE   56  17.74 +/- 0.32   0.006% *  5.1038% (0.90   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ILE   56  17.95 +/- 1.19   0.006% *  4.7535% (0.84   0.02   0.02) =   0.001%
          HG    LEU   40 - HZ2   TRP   87  11.96 +/- 0.94   0.075% *  0.2280% (0.04   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE   56  19.47 +/- 0.83   0.003% *  5.2534% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ILE   56  17.68 +/- 0.58   0.005% *  2.9941% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HZ2   TRP   87  12.96 +/- 0.76   0.036% *  0.2383% (0.04   0.02   0.02) =   0.000%
          HG    LEU   80 - HZ2   TRP   87  10.36 +/- 0.82   0.152% *  0.0550% (0.01   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE   56  19.16 +/- 1.30   0.003% *  1.2670% (0.22   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE   56  19.87 +/- 0.43   0.003% *  0.8781% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE   56  27.23 +/- 0.82   0.000% *  5.4921% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ILE   56  21.03 +/- 0.75   0.002% *  1.1262% (0.20   0.02   0.02) =   0.000%
          HB3   LEU   40 - HZ2   TRP   87  13.12 +/- 0.70   0.041% *  0.0489% (0.01   0.02   0.02) =   0.000%
          HG    LEU   67 - HZ2   TRP   87  17.85 +/- 1.32   0.007% *  0.2063% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   67 - HZ2   TRP   87  16.86 +/- 0.90   0.009% *  0.1299% (0.02   0.02   0.02) =   0.000%
          HB3   LEU  115 - HZ2   TRP   87  18.79 +/- 0.74   0.004% *  0.2280% (0.04   0.02   0.02) =   0.000%
          HG12  ILE   19 - HZ2   TRP   87  14.01 +/- 0.66   0.026% *  0.0381% (0.01   0.02   0.02) =   0.000%
          QB    ALA   61 - HZ2   TRP   87  17.49 +/- 0.55   0.007% *  0.0927% (0.02   0.02   0.02) =   0.000%
          QG    LYS+  66 - HZ2   TRP   87  20.31 +/- 0.58   0.003% *  0.1793% (0.03   0.02   0.02) =   0.000%
          QB    ALA  110 - HZ2   TRP   87  17.30 +/- 0.49   0.007% *  0.0489% (0.01   0.02   0.02) =   0.000%
          QB    ALA  120 - HZ2   TRP   87  20.02 +/- 0.42   0.003% *  0.0927% (0.02   0.02   0.02) =   0.000%
          HG    LEU  115 - HZ2   TRP   87  21.30 +/- 1.08   0.002% *  0.0927% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 939 (1.27, 7.59, 115.08 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.24, residual support = 112.6:
          QG2   ILE   56 - HN    ILE   56   2.86 +/- 0.11  99.501% * 98.3535% (1.00   6.24 112.56) = 100.000%  kept
          QB    ALA   91 - HN    ILE   56  11.45 +/- 1.14   0.033% *  0.2290% (0.73   0.02   0.02) =   0.000%
          QB    ALA   34 - HZ2   TRP   87   7.55 +/- 0.60   0.351% *  0.0129% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    ILE   56  11.50 +/- 0.71   0.026% *  0.0624% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    ILE   56  19.15 +/- 0.28   0.001% *  0.2983% (0.95   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    ILE   56  19.70 +/- 0.38   0.001% *  0.2290% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ILE   56  19.52 +/- 0.38   0.001% *  0.2040% (0.65   0.02   0.02) =   0.000%
          QG2   THR   39 - HZ2   TRP   87  12.49 +/- 0.47   0.015% *  0.0099% (0.03   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    ILE   56  19.20 +/- 0.49   0.001% *  0.1184% (0.38   0.02   0.02) =   0.000%
          QG2   THR   23 - HZ2   TRP   87  12.90 +/- 0.40   0.012% *  0.0089% (0.03   0.02   0.02) =   0.000%
          QG2   ILE   56 - HZ2   TRP   87  14.69 +/- 0.47   0.006% *  0.0137% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HZ2   TRP   87  14.76 +/- 1.05   0.006% *  0.0129% (0.04   0.02   0.02) =   0.000%
          QB    ALA   91 - HZ2   TRP   87  14.35 +/- 0.76   0.007% *  0.0099% (0.03   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    ILE   56  21.10 +/- 0.69   0.001% *  0.0552% (0.18   0.02   0.02) =   0.000%
          HG    LEU   71 - HZ2   TRP   87  12.90 +/- 0.86   0.014% *  0.0024% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HZ2   TRP   87  13.51 +/- 0.62   0.010% *  0.0030% (0.01   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HZ2   TRP   87  13.32 +/- 0.52   0.010% *  0.0027% (0.01   0.02   0.02) =   0.000%
          HG13  ILE   19 - HZ2   TRP   87  15.25 +/- 0.61   0.005% *  0.0051% (0.02   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   56  30.23 +/- 0.61   0.000% *  0.2983% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   56  24.50 +/- 0.69   0.000% *  0.0702% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 0.916, support = 5.32, residual support = 62.5:
          HB3   CYS   53 - HN    ARG+  54   3.85 +/- 0.07  52.432% * 34.3189% (0.94   5.07  30.50) =  59.480%  kept
          HD2   ARG+  54 - HN    ARG+  54   4.69 +/- 0.37  17.700% * 46.3207% (0.95   6.78 162.20) =  27.101%  kept
          QB    PHE   55 - HN    ARG+  54   4.49 +/- 0.27  21.443% * 18.9177% (0.76   3.46   2.99) =  13.409%  kept
          HD3   PRO   93 - HN    ARG+  54   6.99 +/- 0.21   1.479% *  0.1225% (0.85   0.02   0.02) =   0.006%
          HB2   PHE   59 - HN    ASP-  62   5.53 +/- 0.28   6.263% *  0.0134% (0.09   0.02   6.51) =   0.003%
          HB2   PHE   59 - HN    ARG+  54   9.46 +/- 0.59   0.258% *  0.0719% (0.50   0.02   0.02) =   0.001%
          HD3   PRO   68 - HN    ASP-  62  10.19 +/- 0.55   0.159% *  0.0222% (0.15   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    ASP-  62  10.32 +/- 0.32   0.144% *  0.0205% (0.14   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    ASP-  62  11.63 +/- 0.70   0.075% *  0.0253% (0.18   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    ASP-  62  13.62 +/- 1.04   0.031% *  0.0256% (0.18   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    ASP-  62  14.89 +/- 0.27   0.016% *  0.0229% (0.16   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    ARG+  54  21.97 +/- 0.58   0.002% *  0.1185% (0.82   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (2.03, 7.87, 121.30 ppm):
    28 chemical-shift based assignments, quality = 0.263, support = 6.46, residual support = 162.2:
      O   HB2   ARG+  54 - HN    ARG+  54   3.14 +/- 0.54  99.198% * 91.1661% (0.26   6.46 162.20) =  99.999%  kept
          HB    ILE  119 - HN    ASP-  62   8.53 +/- 0.55   0.375% *  0.1075% (0.10   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ARG+  54  13.03 +/- 0.19   0.026% *  0.8124% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ASP-  62  10.12 +/- 0.60   0.130% *  0.1378% (0.13   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ASP-  62  12.44 +/- 0.84   0.040% *  0.1881% (0.18   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    ARG+  54  16.02 +/- 0.58   0.008% *  0.5744% (0.54   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ARG+  54  13.71 +/- 0.77   0.018% *  0.2259% (0.21   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ARG+  54  15.03 +/- 0.39   0.011% *  0.3461% (0.32   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ARG+  54  17.52 +/- 1.03   0.005% *  0.7367% (0.69   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ASP-  62  13.98 +/- 0.45   0.018% *  0.1378% (0.13   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ASP-  62  14.90 +/- 0.38   0.012% *  0.1520% (0.14   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ASP-  62  12.67 +/- 0.47   0.033% *  0.0528% (0.05   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ASP-  62  11.80 +/- 0.83   0.052% *  0.0257% (0.02   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ASP-  62  13.03 +/- 0.58   0.026% *  0.0423% (0.04   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ARG+  54  22.01 +/- 0.73   0.001% *  0.7367% (0.69   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ASP-  62  13.16 +/- 0.23   0.026% *  0.0332% (0.03   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ARG+  54  22.85 +/- 0.72   0.001% *  0.8800% (0.82   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ARG+  54  24.00 +/- 1.06   0.001% *  1.0055% (0.94   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ASP-  62  18.38 +/- 0.67   0.003% *  0.1647% (0.15   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ARG+  54  22.65 +/- 0.56   0.001% *  0.5744% (0.54   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    ARG+  54  18.71 +/- 0.60   0.003% *  0.1777% (0.17   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ASP-  62  17.40 +/- 0.34   0.005% *  0.1075% (0.10   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ASP-  62  17.27 +/- 0.54   0.005% *  0.0648% (0.06   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ARG+  54  26.23 +/- 0.62   0.000% *  0.5338% (0.50   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ARG+  54  23.51 +/- 0.77   0.001% *  0.1373% (0.13   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ARG+  54  31.12 +/- 0.46   0.000% *  0.6563% (0.61   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ASP-  62  23.69 +/- 0.48   0.001% *  0.1228% (0.11   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ASP-  62  25.63 +/- 0.38   0.000% *  0.0999% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.13 A, kept.
 
    Peak 945 (1.86, 7.87, 121.30 ppm):
    26 chemical-shift based assignments, quality = 0.938, support = 6.67, residual support = 162.2:
          HG2   ARG+  54 - HN    ARG+  54   2.99 +/- 0.30  94.002% * 97.0299% (0.94   6.67 162.20) =  99.993%  kept
          HB    ILE   56 - HN    ARG+  54   5.62 +/- 0.37   2.657% *  0.1430% (0.46   0.02   0.02) =   0.004%
          HB3   PRO   52 - HN    ARG+  54   5.40 +/- 0.09   3.115% *  0.0907% (0.29   0.02   0.02) =   0.003%
          HB    ILE   56 - HN    ASP-  62   9.83 +/- 0.18   0.086% *  0.0268% (0.09   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ARG+  54  16.67 +/- 0.48   0.004% *  0.2835% (0.91   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ASP-  62  12.92 +/- 0.61   0.019% *  0.0545% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ASP-  62  12.64 +/- 0.38   0.019% *  0.0530% (0.17   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ARG+  54  16.60 +/- 0.34   0.004% *  0.2634% (0.85   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ASP-  62  10.71 +/- 0.58   0.055% *  0.0170% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ARG+  54  17.68 +/- 0.55   0.003% *  0.2711% (0.87   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ASP-  62  13.65 +/- 0.40   0.012% *  0.0548% (0.18   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ARG+  54  19.48 +/- 0.33   0.001% *  0.2931% (0.94   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ASP-  62  15.09 +/- 0.39   0.006% *  0.0493% (0.16   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ARG+  54  24.25 +/- 0.38   0.000% *  0.2879% (0.93   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ARG+  54  24.31 +/- 0.42   0.000% *  0.2911% (0.94   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ARG+  54  24.31 +/- 0.51   0.000% *  0.2835% (0.91   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    ASP-  62  18.48 +/- 0.48   0.002% *  0.0545% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    ASP-  62  15.30 +/- 0.48   0.006% *  0.0170% (0.05   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    ARG+  54  20.39 +/- 0.51   0.001% *  0.0907% (0.29   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ASP-  62  20.51 +/- 0.36   0.001% *  0.0539% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ARG+  54  22.35 +/- 0.51   0.001% *  0.0581% (0.19   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ASP-  62  22.33 +/- 0.53   0.001% *  0.0530% (0.17   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ASP-  62  22.30 +/- 0.42   0.001% *  0.0507% (0.16   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    ASP-  62  17.92 +/- 0.56   0.002% *  0.0109% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ASP-  62  23.12 +/- 0.34   0.001% *  0.0187% (0.06   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    ARG+  54  31.58 +/- 0.33   0.000% *  0.1002% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.02 A, kept.
 
    Peak 946 (1.42, 7.87, 121.30 ppm):
    24 chemical-shift based assignments, quality = 0.163, support = 2.78, residual support = 8.24:
          QB    ALA   61 - HN    ASP-  62   2.75 +/- 0.13  95.223% * 72.1179% (0.16   2.79   8.25) =  99.870%  kept
          QB    ALA  110 - HN    ARG+  54   5.03 +/- 0.23   2.687% *  2.9948% (0.95   0.02   0.02) =   0.117%
          QG    LYS+  66 - HN    ASP-  62   5.47 +/- 0.74   1.881% *  0.3399% (0.11   0.02   0.02) =   0.009%
          QB    ALA   61 - HN    ARG+  54   9.18 +/- 0.29   0.071% *  2.7645% (0.87   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    ASP-  62   9.61 +/- 0.50   0.056% *  0.4487% (0.14   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ASP-  62  10.47 +/- 0.44   0.033% *  0.5604% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ARG+  54  13.57 +/- 0.61   0.007% *  1.4577% (0.46   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ASP-  62  11.56 +/- 0.56   0.019% *  0.2728% (0.09   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ARG+  54  16.01 +/- 0.70   0.003% *  1.8164% (0.57   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ARG+  54  18.76 +/- 1.39   0.001% *  2.9882% (0.94   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ASP-  62  14.94 +/- 0.21   0.004% *  0.5554% (0.18   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ARG+  54  20.68 +/- 0.62   0.001% *  2.9683% (0.94   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ARG+  54  20.43 +/- 0.63   0.001% *  2.3980% (0.76   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ASP-  62  13.91 +/- 0.31   0.006% *  0.2304% (0.07   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ARG+  54  20.10 +/- 0.88   0.001% *  2.0572% (0.65   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ARG+  54  19.25 +/- 0.46   0.001% *  1.2312% (0.39   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ASP-  62  15.74 +/- 0.88   0.003% *  0.2948% (0.09   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ARG+  54  22.74 +/- 1.17   0.000% *  1.5756% (0.50   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ARG+  54  21.04 +/- 0.37   0.000% *  0.7468% (0.24   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ASP-  62  20.44 +/- 1.11   0.001% *  0.5591% (0.18   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ASP-  62  16.36 +/- 0.49   0.002% *  0.1397% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ASP-  62  21.92 +/- 0.86   0.000% *  0.3849% (0.12   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ARG+  54  30.06 +/- 0.80   0.000% *  0.9243% (0.29   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ASP-  62  24.28 +/- 1.05   0.000% *  0.1730% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 947 (3.96, 9.57, 121.38 ppm):
    12 chemical-shift based assignments, quality = 0.382, support = 3.59, residual support = 14.3:
          HD2   PRO   52 - HN    GLY   51   2.32 +/- 0.04  73.826% * 45.5599% (0.34   3.84  16.14) =  72.094%  kept
      O   HA2   GLY   51 - HN    GLY   51   2.76 +/- 0.01  26.042% * 49.9919% (0.49   2.95   9.59) =  27.904%  kept
          QB    SER   48 - HN    GLY   51   6.72 +/- 0.25   0.128% *  0.5312% (0.76   0.02   0.02) =   0.001%
          HB    THR   94 - HN    GLY   51  12.82 +/- 0.12   0.003% *  0.4497% (0.65   0.02   0.02) =   0.000%
          QB    SER   85 - HN    GLY   51  16.77 +/- 0.63   0.001% *  0.6709% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    GLY   51  22.01 +/- 0.41   0.000% *  0.6417% (0.92   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLY   51  18.57 +/- 0.56   0.000% *  0.1217% (0.18   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLY   51  19.69 +/- 0.53   0.000% *  0.1733% (0.25   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    GLY   51  24.69 +/- 0.46   0.000% *  0.6576% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    GLY   51  25.14 +/- 0.77   0.000% *  0.6709% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLY   51  26.35 +/- 0.34   0.000% *  0.3936% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLY   51  29.47 +/- 0.41   0.000% *  0.1376% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 948 (2.79, 6.60, 121.96 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 1.14, residual support = 6.79:
      O   QB    CYS   50 - HN    CYS   50   2.84 +/- 0.02  99.359% * 95.0684% (0.69   1.14   6.79) =  99.987%  kept
          HB3   ASP-  78 - HN    CYS   50   7.09 +/- 0.69   0.471% *  2.0348% (0.84   0.02   0.02) =   0.010%
          QE    LYS+  74 - HN    CYS   50   8.41 +/- 0.69   0.170% *  1.7690% (0.73   0.02   0.02) =   0.003%
          HB3   HIS  122 - HN    CYS   50  23.41 +/- 0.32   0.000% *  0.3759% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   50  28.75 +/- 0.49   0.000% *  0.7519% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 2.18, residual support = 10.3:
          QB    ALA   47 - HN    CYS   50   2.08 +/- 0.05  99.997% * 97.8604% (0.57   2.18  10.28) = 100.000%  kept
          QB    ALA   64 - HN    CYS   50  14.84 +/- 0.31   0.001% *  1.1512% (0.73   0.02   0.02) =   0.000%
          QG1   VAL   42 - HN    CYS   50  14.25 +/- 0.34   0.001% *  0.7108% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    CYS   50  14.95 +/- 0.87   0.001% *  0.2776% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 0.414, support = 3.92, residual support = 14.6:
          QB    SER   48 - HN    TRP   49   3.02 +/- 0.39  70.756% * 64.3784% (0.45   3.93  14.59) =  84.604%  kept
      O   HA    SER   48 - HN    TRP   49   3.60 +/- 0.02  26.472% * 31.2723% (0.22   3.85  14.59) =  15.376%  kept
          HD2   PRO   52 - HN    TRP   49   5.50 +/- 0.15   2.091% *  0.4724% (0.65   0.02   3.49) =   0.018%
          HA2   GLY   51 - HN    TRP   49   6.66 +/- 0.08   0.660% *  0.1626% (0.22   0.02   0.02) =   0.002%
          QB    SER   85 - HN    TRP   49  14.56 +/- 0.68   0.006% *  0.7047% (0.97   0.02   0.02) =   0.000%
          HB    THR   94 - HN    TRP   49  12.94 +/- 0.21   0.012% *  0.2491% (0.34   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    TRP   49  17.36 +/- 0.72   0.002% *  0.3002% (0.41   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    TRP   49  23.48 +/- 0.54   0.000% *  0.7237% (0.99   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    TRP   49  25.74 +/- 0.85   0.000% *  0.7047% (0.97   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    TRP   49  27.28 +/- 0.41   0.000% *  0.5016% (0.69   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    TRP   49  27.92 +/- 0.50   0.000% *  0.3274% (0.45   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    TRP   49  28.51 +/- 0.26   0.000% *  0.2030% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 952 (3.15, 6.63, 116.57 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.01, residual support = 70.3:
      O   HB3   TRP   49 - HN    TRP   49   2.58 +/- 0.10  99.998% * 99.4830% (0.80   4.01  70.30) = 100.000%  kept
          HB3   PHE   59 - HN    TRP   49  16.40 +/- 0.70   0.002% *  0.5170% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 954 (3.96, 9.44, 119.76 ppm):
    12 chemical-shift based assignments, quality = 0.41, support = 2.61, residual support = 9.76:
      O   QB    SER   48 - HN    SER   48   2.31 +/- 0.17  70.906% * 62.5678% (0.45   2.61   9.76) =  83.123%  kept
      O   HA    SER   48 - HN    SER   48   2.69 +/- 0.01  28.988% * 31.0702% (0.22   2.61   9.76) =  16.875%  kept
          HD2   PRO   52 - HN    SER   48   7.18 +/- 0.13   0.079% *  0.6910% (0.65   0.02   0.02) =   0.001%
          HA2   GLY   51 - HN    SER   48   9.12 +/- 0.04   0.019% *  0.2378% (0.22   0.02   0.02) =   0.000%
          QB    SER   85 - HN    SER   48  12.50 +/- 0.67   0.003% *  1.0308% (0.97   0.02   0.02) =   0.000%
          HB    THR   94 - HN    SER   48  11.79 +/- 0.30   0.004% *  0.3643% (0.34   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    SER   48  15.59 +/- 0.73   0.001% *  0.4391% (0.41   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    SER   48  23.11 +/- 0.53   0.000% *  1.0586% (0.99   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    SER   48  24.85 +/- 0.73   0.000% *  1.0308% (0.97   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    SER   48  27.33 +/- 0.37   0.000% *  0.7337% (0.69   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    SER   48  25.49 +/- 0.49   0.000% *  0.4789% (0.45   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    SER   48  28.20 +/- 0.27   0.000% *  0.2970% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (0.38, 9.44, 119.76 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 4.08, residual support = 6.29:
          QB    ALA   47 - HN    SER   48   2.69 +/- 0.04  99.993% * 99.1198% (0.90   4.08   6.29) = 100.000%  kept
          QG1   VAL   42 - HN    SER   48  14.90 +/- 0.38   0.004% *  0.4339% (0.80   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    SER   48  15.89 +/- 0.36   0.002% *  0.2034% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    SER   48  18.24 +/- 0.86   0.001% *  0.2429% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 957 (3.40, 7.01, 120.97 ppm):
    2 chemical-shift based assignments, quality = 0.824, support = 0.02, residual support = 0.02:
          HB2   PHE   60 - HN    ALA   47  10.28 +/- 0.28  82.688% * 52.2208% (0.84   0.02   0.02) =  83.924%  kept
          HB2   TRP   87 - HN    ALA   47  13.38 +/- 0.33  17.312% * 47.7792% (0.76   0.02   0.02) =  16.076%  kept
    Distance limit 4.19 A violated in 20 structures by 5.76 A, eliminated.
    Peak unassigned.
 
    Peak 958 (2.79, 7.01, 120.97 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 2.79, residual support = 10.3:
          QB    CYS   50 - HN    ALA   47   2.89 +/- 0.18  97.683% * 98.2953% (0.97   2.79  10.28) =  99.985%  kept
          QE    LYS+  74 - HN    ALA   47   5.99 +/- 0.71   1.630% *  0.7152% (0.98   0.02   0.02) =   0.012%
          HB3   ASP-  78 - HN    ALA   47   6.87 +/- 0.66   0.682% *  0.3551% (0.49   0.02   0.75) =   0.003%
          HB2   PHE   72 - HN    ALA   47  15.10 +/- 0.71   0.005% *  0.1624% (0.22   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    ALA   47  26.03 +/- 0.45   0.000% *  0.4720% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 959 (0.74, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.2, residual support = 12.7:
          QG2   THR   46 - HN    ALA   47   3.04 +/- 0.36  99.872% * 97.5683% (0.97   3.20  12.67) =  99.999%  kept
          QG2   VAL   18 - HN    ALA   47  10.58 +/- 0.67   0.080% *  0.5662% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    ALA   47  12.21 +/- 0.19   0.029% *  0.4337% (0.69   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    ALA   47  13.91 +/- 0.42   0.013% *  0.5972% (0.95   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    ALA   47  16.93 +/- 0.40   0.004% *  0.3073% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ALA   47  20.10 +/- 0.58   0.002% *  0.5273% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 960 (0.39, 7.01, 120.97 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 2.36, residual support = 9.82:
      O   QB    ALA   47 - HN    ALA   47   2.44 +/- 0.05  99.984% * 98.0236% (0.57   2.36   9.82) = 100.000%  kept
          QG1   VAL   42 - HN    ALA   47  11.81 +/- 0.39   0.008% *  0.6565% (0.45   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    ALA   47  12.86 +/- 0.27   0.005% *  1.0634% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    ALA   47  14.06 +/- 0.84   0.003% *  0.2565% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (3.47, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 3.25, residual support = 34.5:
      O   HB    THR   46 - HN    THR   46   3.00 +/- 0.22  99.952% * 96.2187% (0.25   3.25  34.52) = 100.000%  kept
          HB2   HIS   22 - HN    THR   46  11.43 +/- 0.66   0.041% *  0.8102% (0.34   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HN    THR   46  15.57 +/- 0.34   0.006% *  1.8151% (0.76   0.02   0.02) =   0.000%
          HB2   HIS  122 - HN    THR   46  19.41 +/- 0.48   0.001% *  1.1561% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 962 (1.32, 8.46, 117.19 ppm):
    9 chemical-shift based assignments, quality = 0.607, support = 3.73, residual support = 12.3:
          QG2   THR   77 - HN    THR   46   2.95 +/- 0.20  98.750% * 95.7969% (0.61   3.73  12.29) =  99.997%  kept
          HB3   ASP-  44 - HN    THR   46   6.84 +/- 0.62   0.908% *  0.1885% (0.22   0.02   0.02) =   0.002%
          HB3   LEU   80 - HN    THR   46   8.36 +/- 1.14   0.277% *  0.3481% (0.41   0.02   0.02) =   0.001%
          QB    ALA   88 - HN    THR   46  11.09 +/- 0.53   0.040% *  0.8011% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    THR   46  13.05 +/- 0.27   0.014% *  0.2614% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    THR   46  15.56 +/- 0.41   0.005% *  0.5478% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    THR   46  15.83 +/- 0.43   0.004% *  0.4794% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   46  21.22 +/- 0.49   0.001% *  0.7595% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   46  24.51 +/- 0.47   0.000% *  0.8172% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 963 (1.03, 8.46, 117.19 ppm):
    4 chemical-shift based assignments, quality = 0.932, support = 0.0196, residual support = 0.0196:
          QG2   VAL  108 - HN    THR   46  10.81 +/- 0.81  67.586% * 32.0586% (0.99   0.02   0.02) =  73.993%  kept
          QD1   ILE  119 - HN    THR   46  12.95 +/- 0.29  23.022% * 25.8997% (0.80   0.02   0.02) =  20.363%  kept
          HB2   LEU  104 - HN    THR   46  18.01 +/- 0.24   3.240% * 32.0586% (0.99   0.02   0.02) =   3.547%  kept
          HG3   LYS+ 112 - HN    THR   46  16.27 +/- 0.72   6.152% *  9.9831% (0.31   0.02   0.02) =   2.097%
    Distance limit 4.64 A violated in 20 structures by 5.56 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   2.27 +/- 0.20  99.895% * 97.4006% (0.97   3.39  34.52) = 100.000%  kept
          QG2   VAL   18 - HN    THR   46   8.86 +/- 0.74   0.036% *  0.5947% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    THR   46   8.77 +/- 0.25   0.034% *  0.5638% (0.95   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    THR   46  11.05 +/- 0.36   0.009% *  0.4094% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   73 - HN    THR   46   9.72 +/- 0.80   0.021% *  0.0920% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    THR   46  13.46 +/- 0.42   0.003% *  0.4773% (0.80   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    THR   46  13.73 +/- 0.32   0.002% *  0.1486% (0.25   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    THR   46  17.37 +/- 0.60   0.001% *  0.3136% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 965 (0.45, 8.46, 117.19 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 1.66, residual support = 1.97:
          QG1   VAL   75 - HN    THR   46   4.11 +/- 0.20  99.791% * 99.0129% (0.92   1.66   1.97) =  99.998%  kept
          QD1   LEU  115 - HN    THR   46  11.67 +/- 0.48   0.209% *  0.9871% (0.76   0.02   0.02) =   0.002%
    Distance limit 4.47 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 = 27.1:
          HB    THR   94 - HN    PHE   45   4.01 +/- 0.25  98.948% * 94.1909% (0.65   3.30  27.12) =  99.995%  kept
          QB    SER   85 - HN    PHE   45  11.58 +/- 0.43   0.179% *  0.8520% (0.97   0.02   0.02) =   0.002%
          QB    SER   48 - HN    PHE   45  11.86 +/- 0.18   0.154% *  0.6747% (0.76   0.02   0.02) =   0.001%
          HD2   PRO   52 - HN    PHE   45  10.58 +/- 0.17   0.309% *  0.3012% (0.34   0.02   0.02) =   0.001%
          HA    ALA   88 - HN    PHE   45  11.07 +/- 0.52   0.241% *  0.1546% (0.18   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   45  13.96 +/- 0.29   0.059% *  0.4297% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    PHE   45  16.41 +/- 0.38   0.022% *  0.8150% (0.92   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    PHE   45  18.25 +/- 0.32   0.012% *  0.8352% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    PHE   45  18.32 +/- 0.54   0.011% *  0.8520% (0.97   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   45  14.75 +/- 0.41   0.043% *  0.2201% (0.25   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   45  18.19 +/- 0.21   0.012% *  0.4998% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    PHE   45  18.49 +/- 0.29   0.011% *  0.1747% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 3.65, residual support = 77.1:
      O   HB2   PHE   45 - HN    PHE   45   2.20 +/- 0.05  99.979% * 99.2172% (0.99   3.65  77.13) = 100.000%  kept
          HB2   CYS   21 - HN    PHE   45   9.22 +/- 0.28   0.019% *  0.2457% (0.45   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    PHE   45  13.50 +/- 0.46   0.002% *  0.5371% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 3.98, residual support = 77.1:
      O   HB3   PHE   45 - HN    PHE   45   3.47 +/- 0.03  99.216% * 98.0606% (0.87   3.98  77.13) =  99.998%  kept
          HB    VAL  107 - HN    PHE   45   8.01 +/- 0.25   0.670% *  0.2546% (0.45   0.02   0.02) =   0.002%
          QE    LYS+ 112 - HN    PHE   45  12.22 +/- 0.65   0.055% *  0.4926% (0.87   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    PHE   45  13.33 +/- 0.42   0.031% *  0.4548% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    PHE   45  14.06 +/- 0.63   0.023% *  0.2131% (0.38   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    PHE   45  19.23 +/- 0.59   0.004% *  0.5243% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 969 (1.33, 8.74, 125.75 ppm):
    13 chemical-shift based assignments, quality = 0.45, support = 3.33, residual support = 12.2:
          HB3   ASP-  44 - HN    PHE   45   4.28 +/- 0.33  54.665% * 64.8348% (0.49   3.53  12.56) =  79.370%  kept
          QG2   THR   77 - HN    PHE   45   4.76 +/- 0.24  30.510% * 30.1135% (0.31   2.59  10.99) =  20.575%  kept
          HB3   PRO   93 - HN    PHE   45   5.90 +/- 0.48   8.817% *  0.1165% (0.15   0.02   0.02) =   0.023%
          QB    ALA   84 - HN    PHE   45   6.61 +/- 0.30   4.209% *  0.1322% (0.18   0.02   0.40) =   0.012%
          QB    ALA   88 - HN    PHE   45   8.93 +/- 0.66   0.729% *  0.5185% (0.69   0.02   0.02) =   0.008%
          HB3   LEU   80 - HN    PHE   45   9.97 +/- 1.29   0.425% *  0.5481% (0.73   0.02   0.02) =   0.005%
          HB2   LEU   63 - HN    PHE   45  10.38 +/- 0.24   0.272% *  0.4578% (0.61   0.02   0.02) =   0.003%
          HG    LEU   98 - HN    PHE   45  10.68 +/- 0.89   0.252% *  0.1882% (0.25   0.02   0.02) =   0.001%
          HG2   LYS+ 111 - HN    PHE   45  13.11 +/- 0.32   0.066% *  0.6967% (0.92   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    PHE   45  14.67 +/- 0.43   0.035% *  0.6547% (0.87   0.02   0.02) =   0.001%
          HG2   LYS+  99 - HN    PHE   45  17.50 +/- 0.46   0.012% *  0.7531% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   45  21.79 +/- 0.52   0.003% *  0.7284% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   45  20.06 +/- 0.58   0.005% *  0.2575% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 970 (0.08, 8.74, 125.75 ppm):
    3 chemical-shift based assignments, quality = 0.8, support = 1.07, residual support = 12.7:
          QD1   ILE   89 - HN    PHE   45   3.96 +/- 0.24  98.124% * 95.9270% (0.80   1.07  12.76) =  99.958%  kept
          QG2   VAL   83 - HN    PHE   45   8.19 +/- 0.42   1.362% *  2.1991% (0.98   0.02   1.10) =   0.032%
          QD2   LEU   31 - HN    PHE   45   9.57 +/- 0.21   0.514% *  1.8739% (0.84   0.02   0.02) =   0.010%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 971 (2.42, 8.46, 117.19 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 4.1, residual support = 12.5:
          HB3   PHE   45 - HN    THR   46   3.31 +/- 0.20  99.899% * 98.4422% (1.00   4.10  12.49) = 100.000%  kept
          HB    VAL  107 - HN    THR   46  12.08 +/- 0.30   0.045% *  0.3852% (0.80   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    THR   46  13.64 +/- 0.61   0.023% *  0.4800% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    THR   46  14.36 +/- 0.43   0.016% *  0.2157% (0.45   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HN    THR   46  18.73 +/- 0.59   0.003% *  0.2918% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    THR   46  15.84 +/- 0.52   0.009% *  0.0651% (0.14   0.02   0.02) =   0.000%
          QG    GLN   32 - HN    THR   46  18.43 +/- 1.12   0.004% *  0.1200% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 973 (6.59, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 0.75, residual support = 8.19:
          HN    CYS   50 - HN    CYS   53   4.92 +/- 0.05  99.968% * 97.1186% (0.87   0.75   8.19) =  99.999%  kept
        T HN    VAL   83 - HN    CYS   53  18.85 +/- 0.49   0.032% *  2.8814% (0.97   0.02   0.02) =   0.001%
    Distance limit 4.75 A violated in 0 structures by 0.17 A, kept.
 
    Peak 974 (4.53, 8.09, 110.83 ppm):
    2 chemical-shift based assignments, quality = 0.607, support = 7.1, residual support = 49.0:
      O   HA    PRO   52 - HN    CYS   53   3.46 +/- 0.01  99.869% * 99.5388% (0.61   7.10  48.98) =  99.999%  kept
          HA    LYS+ 111 - HN    CYS   53  10.49 +/- 0.25   0.131% *  0.4612% (1.00   0.02   0.02) =   0.001%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 975 (4.16, 8.09, 110.83 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 4.92, residual support = 41.9:
      O   HA    CYS   53 - HN    CYS   53   2.74 +/- 0.03  99.995% * 98.8050% (0.90   4.92  41.93) = 100.000%  kept
          HA    ILE   19 - HN    CYS   53  17.25 +/- 0.55   0.002% *  0.2900% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    CYS   53  16.01 +/- 0.41   0.003% *  0.1843% (0.41   0.02   0.02) =   0.000%
          HA    THR   26 - HN    CYS   53  22.92 +/- 0.48   0.000% *  0.3426% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  25 - HN    CYS   53  24.46 +/- 0.43   0.000% *  0.1843% (0.41   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    CYS   53  26.68 +/- 1.50   0.000% *  0.1246% (0.28   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    CYS   53  25.58 +/- 0.32   0.000% *  0.0692% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 976 (3.96, 8.09, 110.83 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 7.19, residual support = 49.0:
          HD2   PRO   52 - HN    CYS   53   2.26 +/- 0.01  98.122% * 94.6861% (0.34   7.19  48.98) =  99.992%  kept
          HA2   GLY   51 - HN    CYS   53   4.40 +/- 0.09   1.843% *  0.3756% (0.49   0.02   0.02) =   0.007%
          QB    SER   48 - HN    CYS   53   9.13 +/- 0.17   0.023% *  0.5898% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - HN    CYS   53  10.63 +/- 0.34   0.009% *  0.4992% (0.65   0.02   0.02) =   0.000%
          QB    SER   85 - HN    CYS   53  16.80 +/- 0.59   0.001% *  0.7448% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  65 - HN    CYS   53  18.82 +/- 0.35   0.000% *  0.7124% (0.92   0.02   0.02) =   0.000%
          QB    SER  117 - HN    CYS   53  16.45 +/- 0.49   0.001% *  0.1924% (0.25   0.02   0.02) =   0.000%
          HA    ALA  120 - HN    CYS   53  20.77 +/- 0.47   0.000% *  0.7300% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   16 - HN    CYS   53  22.36 +/- 0.65   0.000% *  0.7448% (0.97   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    CYS   53  17.59 +/- 0.46   0.000% *  0.1352% (0.18   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    CYS   53  22.50 +/- 0.35   0.000% *  0.4369% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    CYS   53  27.62 +/- 0.38   0.000% *  0.1527% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 977 (3.82, 8.09, 110.83 ppm):
    6 chemical-shift based assignments, quality = 0.92, support = 5.2, residual support = 42.9:
      O   HB2   CYS   53 - HN    CYS   53   2.86 +/- 0.26  80.300% * 58.6217% (0.98   5.05  41.93) =  85.542%  kept
          HD3   PRO   52 - HN    CYS   53   3.66 +/- 0.00  19.494% * 40.8129% (0.57   6.08  48.98) =  14.458%  kept
          HD2   PRO   58 - HN    CYS   53   7.82 +/- 0.16   0.205% *  0.1533% (0.65   0.02   0.02) =   0.001%
          HA    VAL   83 - HN    CYS   53  19.92 +/- 0.50   0.001% *  0.1341% (0.57   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    CYS   53  23.65 +/- 0.47   0.000% *  0.1533% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    CYS   53  28.14 +/- 0.51   0.000% *  0.1247% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.33, 8.09, 110.83 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.07, residual support = 41.9:
      O   HB3   CYS   53 - HN    CYS   53   2.34 +/- 0.48  95.536% * 98.1374% (0.97   5.07  41.93) =  99.981%  kept
          HD3   PRO   93 - HN    CYS   53   4.64 +/- 0.24   3.130% *  0.4004% (1.00   0.02   0.02) =   0.013%
          QB    PHE   55 - HN    CYS   53   5.65 +/- 0.47   1.048% *  0.3873% (0.97   0.02   0.02) =   0.004%
          HD2   ARG+  54 - HN    CYS   53   7.16 +/- 0.53   0.250% *  0.3704% (0.92   0.02  30.50) =   0.001%
          HB2   PHE   59 - HN    CYS   53   9.62 +/- 0.69   0.036% *  0.3067% (0.76   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    CYS   53  22.23 +/- 0.60   0.000% *  0.3978% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 979 (2.79, 8.09, 110.83 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 8.19:
          QB    CYS   50 - HN    CYS   53   3.60 +/- 0.09  99.096% * 98.0457% (0.69   2.96   8.19) =  99.993%  kept
          QE    LYS+  74 - HN    CYS   53   8.18 +/- 0.51   0.792% *  0.7010% (0.73   0.02   0.02) =   0.006%
          HB3   ASP-  78 - HN    CYS   53  11.41 +/- 0.73   0.107% *  0.8064% (0.84   0.02   0.02) =   0.001%
          HB3   HIS  122 - HN    CYS   53  19.89 +/- 0.40   0.004% *  0.1490% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   69 - HN    CYS   53  26.51 +/- 0.57   0.001% *  0.2980% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 980 (2.30, 8.09, 110.83 ppm):
    11 chemical-shift based assignments, quality = 0.249, support = 7.19, residual support = 49.0:
          HG2   PRO   52 - HN    CYS   53   3.72 +/- 0.56  95.763% * 94.9741% (0.25   7.19  48.98) =  99.965%  kept
          HG2   MET   92 - HN    CYS   53   6.72 +/- 0.72   3.709% *  0.8093% (0.76   0.02   0.02) =   0.033%
          QG    GLU- 114 - HN    CYS   53  11.93 +/- 0.80   0.131% *  0.7274% (0.69   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HN    CYS   53  10.67 +/- 0.42   0.237% *  0.2640% (0.25   0.02   0.02) =   0.001%
          HB2   GLU-  79 - HN    CYS   53  14.29 +/- 0.56   0.041% *  0.6423% (0.61   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   53  12.53 +/- 0.40   0.086% *  0.1433% (0.14   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYS   53  15.57 +/- 0.72   0.024% *  0.1855% (0.18   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   53  21.78 +/- 0.72   0.003% *  0.3612% (0.34   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   53  21.36 +/- 1.83   0.004% *  0.2358% (0.22   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   53  29.13 +/- 2.41   0.001% *  0.8479% (0.80   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    CYS   53  31.98 +/- 0.63   0.000% *  0.8093% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (2.08, 8.09, 110.83 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 7.17, residual support = 49.0:
          HG3   PRO   52 - HN    CYS   53   3.47 +/- 0.60  74.604% * 98.8807% (0.98   7.17  48.98) =  99.965%  kept
          HB2   PRO   93 - HN    CYS   53   4.46 +/- 0.29  19.243% *  0.1157% (0.41   0.02   0.02) =   0.030%
          HB2   ARG+  54 - HN    CYS   53   5.73 +/- 0.63   5.965% *  0.0493% (0.18   0.02  30.50) =   0.004%
          HG2   PRO   58 - HN    CYS   53   9.97 +/- 0.21   0.156% *  0.2758% (0.98   0.02   0.02) =   0.001%
          HB    VAL  108 - HN    CYS   53  13.33 +/- 0.52   0.030% *  0.0381% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    CYS   53  24.10 +/- 2.10   0.001% *  0.2808% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    CYS   53  24.55 +/- 1.21   0.001% *  0.0782% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    CYS   53  32.03 +/- 2.77   0.000% *  0.2814% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 982 (1.85, 8.09, 110.83 ppm):
    13 chemical-shift based assignments, quality = 0.698, support = 6.53, residual support = 45.2:
      O   HB3   PRO   52 - HN    CYS   53   4.30 +/- 0.03  60.498% * 55.7503% (0.65   7.19  48.98) =  79.465%  kept
          HG2   ARG+  54 - HN    CYS   53   5.21 +/- 0.37  20.432% * 42.6133% (0.90   3.97  30.50) =  20.514%  kept
          HB    ILE   56 - HN    CYS   53   5.29 +/- 0.40  18.927% *  0.0474% (0.20   0.02   0.02) =   0.021%
          HB3   GLN   90 - HN    CYS   53  14.06 +/- 0.42   0.051% *  0.1646% (0.69   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    CYS   53  15.11 +/- 0.35   0.032% *  0.1356% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    CYS   53  15.40 +/- 0.56   0.029% *  0.1453% (0.61   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    CYS   53  18.49 +/- 0.37   0.010% *  0.2078% (0.87   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    CYS   53  20.88 +/- 0.51   0.005% *  0.1550% (0.65   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    CYS   53  22.51 +/- 0.40   0.003% *  0.2212% (0.92   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    CYS   53  23.28 +/- 0.34   0.002% *  0.1831% (0.76   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    CYS   53  24.55 +/- 0.59   0.002% *  0.2266% (0.95   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    CYS   53  21.31 +/- 0.46   0.004% *  0.0899% (0.38   0.02   0.02) =   0.000%
          HB    VAL   41 - HN    CYS   53  20.81 +/- 0.56   0.005% *  0.0597% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 983 (8.05, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.777, support = 5.83, residual support = 44.7:
        T HN    GLN   32 - HN    LEU   31   2.79 +/- 0.10  96.184% * 98.9861% (0.78   5.83  44.69) =  99.997%  kept
          HN    ALA   34 - HN    LEU   31   4.82 +/- 0.07   3.771% *  0.0628% (0.14   0.02   5.07) =   0.002%
          HN    THR   94 - HN    PHE   55  10.52 +/- 0.67   0.038% *  0.0495% (0.11   0.02   0.02) =   0.000%
          HN    SER   85 - HN    LEU   31  15.25 +/- 0.52   0.004% *  0.4059% (0.93   0.02   0.02) =   0.000%
          HN    THR   94 - HN    LEU   31  17.04 +/- 0.26   0.002% *  0.1014% (0.23   0.02   0.02) =   0.000%
          HN    SER   85 - HN    PHE   55  21.10 +/- 0.55   0.001% *  0.1980% (0.45   0.02   0.02) =   0.000%
        T HN    GLN   32 - HN    PHE   55  27.86 +/- 0.40   0.000% *  0.1657% (0.38   0.02   0.02) =   0.000%
          HN    ALA   34 - HN    PHE   55  26.57 +/- 0.32   0.000% *  0.0306% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 984 (8.29, 7.85, 118.81 ppm):
    8 chemical-shift based assignments, quality = 0.537, support = 6.91, residual support = 49.5:
        T HN    GLN   30 - HN    LEU   31   2.44 +/- 0.08  96.254% * 57.9496% (0.53   7.02  50.84) =  97.297%  kept
          HN    GLU-  29 - HN    LEU   31   4.20 +/- 0.20   3.740% * 41.4288% (0.91   2.90   0.02) =   2.703%  kept
          HN    ASP-  86 - HN    LEU   31  14.28 +/- 0.53   0.003% *  0.1887% (0.60   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    LEU   31  14.60 +/- 0.34   0.002% *  0.0811% (0.26   0.02   0.02) =   0.000%
          HN    VAL   18 - HN    PHE   55  16.35 +/- 0.68   0.001% *  0.0396% (0.13   0.02   0.02) =   0.000%
          HN    ASP-  86 - HN    PHE   55  22.53 +/- 0.51   0.000% *  0.0921% (0.29   0.02   0.02) =   0.000%
          HN    GLU-  29 - HN    PHE   55  26.66 +/- 0.44   0.000% *  0.1395% (0.44   0.02   0.02) =   0.000%
        T HN    GLN   30 - HN    PHE   55  25.19 +/- 0.39   0.000% *  0.0806% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 985 (4.47, 7.84, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.482, support = 2.9, residual support = 19.3:
      O   HA    PHE   55 - HN    PHE   55   2.90 +/- 0.00  90.465% * 94.0729% (0.48   2.91  19.33) =  99.970%  kept
          HA    TRP   27 - HN    LEU   31   4.34 +/- 0.27   8.489% *  0.1800% (0.13   0.02  13.04) =   0.018%
          HA    ALA  110 - HN    PHE   55   6.24 +/- 0.51   1.022% *  0.9575% (0.71   0.02   0.46) =   0.011%
          HA    VAL  107 - HN    PHE   55  13.83 +/- 0.36   0.008% *  0.6044% (0.45   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    PHE   55  13.50 +/- 0.71   0.010% *  0.4389% (0.33   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    PHE   55  16.22 +/- 0.97   0.003% *  0.8549% (0.64   0.02   0.02) =   0.000%
          HA    GLN   90 - HN    LEU   31  18.43 +/- 1.03   0.001% *  0.6476% (0.48   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   31  21.07 +/- 0.30   0.001% *  0.4579% (0.34   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   31  22.78 +/- 0.44   0.000% *  0.7253% (0.54   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   31  21.63 +/- 0.59   0.001% *  0.3325% (0.25   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    PHE   55  22.22 +/- 0.41   0.000% *  0.2377% (0.18   0.02   0.02) =   0.000%
          HA    PHE   55 - HN    LEU   31  26.27 +/- 0.40   0.000% *  0.4905% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 986 (3.33, 7.84, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.787, support = 3.03, residual support = 19.3:
      O   QB    PHE   55 - HN    PHE   55   2.13 +/- 0.18  98.979% * 94.4106% (0.79   3.03  19.33) =  99.994%  kept
          HD2   ARG+  54 - HN    PHE   55   5.27 +/- 0.44   0.616% *  0.5462% (0.69   0.02   2.99) =   0.004%
          HB3   CYS   53 - HN    PHE   55   5.65 +/- 0.25   0.301% *  0.5813% (0.73   0.02   0.02) =   0.002%
          HD3   PRO   93 - HN    PHE   55   7.45 +/- 0.35   0.056% *  0.6283% (0.79   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    PHE   55   7.93 +/- 0.41   0.047% *  0.5260% (0.66   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    LEU   31  19.02 +/- 0.37   0.000% *  0.4770% (0.60   0.02   0.02) =   0.000%
          HD3   PRO   68 - HN    PHE   55  21.01 +/- 0.63   0.000% *  0.6297% (0.79   0.02   0.02) =   0.000%
          HB3   CYS   53 - HN    LEU   31  20.78 +/- 0.60   0.000% *  0.4403% (0.56   0.02   0.02) =   0.000%
          HB2   PHE   59 - HN    LEU   31  20.68 +/- 0.73   0.000% *  0.3984% (0.50   0.02   0.02) =   0.000%
          HD3   PRO   93 - HN    LEU   31  22.14 +/- 0.37   0.000% *  0.4759% (0.60   0.02   0.02) =   0.000%
          QB    PHE   55 - HN    LEU   31  23.45 +/- 0.37   0.000% *  0.4727% (0.60   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HN    LEU   31  27.92 +/- 0.89   0.000% *  0.4137% (0.52   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 987 (4.14, 7.84, 118.81 ppm):
    16 chemical-shift based assignments, quality = 0.464, support = 3.46, residual support = 15.2:
          HA    ASN   28 - HN    LEU   31   3.07 +/- 0.14  70.336% * 65.7058% (0.50   3.51  17.39) =  84.967%  kept
      O   HA    ARG+  54 - HN    PHE   55   3.58 +/- 0.03  28.349% * 28.8280% (0.25   3.16   2.99) =  15.025%  kept
          HA    THR   26 - HN    LEU   31   6.37 +/- 0.16   0.901% *  0.2901% (0.39   0.02   0.02) =   0.005%
          HA    ALA   34 - HN    LEU   31   7.45 +/- 0.11   0.358% *  0.4327% (0.58   0.02   5.07) =   0.003%
          HA    LEU  115 - HN    PHE   55  11.61 +/- 0.40   0.025% *  0.5135% (0.69   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   31  12.61 +/- 2.05   0.022% *  0.4474% (0.60   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    PHE   55  14.23 +/- 0.27   0.007% *  0.5600% (0.75   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   31  22.12 +/- 0.31   0.001% *  0.3890% (0.52   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    PHE   55  25.96 +/- 0.54   0.000% *  0.4945% (0.66   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    PHE   55  26.86 +/- 0.35   0.000% *  0.5713% (0.77   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   31  25.84 +/- 0.41   0.000% *  0.4242% (0.57   0.02   0.02) =   0.000%
          HA    THR   26 - HN    PHE   55  25.86 +/- 0.49   0.000% *  0.3829% (0.51   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    PHE   55  28.03 +/- 1.34   0.000% *  0.5907% (0.79   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   31  24.56 +/- 0.70   0.000% *  0.1384% (0.19   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    PHE   55  25.05 +/- 0.41   0.000% *  0.1318% (0.18   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   31  26.39 +/- 0.92   0.000% *  0.0998% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 988 (3.63, 7.85, 118.81 ppm):
    2 chemical-shift based assignments, quality = 0.602, support = 7.15, residual support = 232.2:
      O   HA    LEU   31 - HN    LEU   31   2.76 +/- 0.03 100.000% * 99.8638% (0.60   7.15 232.22) = 100.000%  kept
          HA    LEU   31 - HN    PHE   55  25.10 +/- 0.34   0.000% *  0.1362% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 989 (2.03, 7.84, 118.81 ppm):
    24 chemical-shift based assignments, quality = 0.477, support = 5.45, residual support = 35.7:
          HB2   GLN   30 - HN    LEU   31   3.81 +/- 0.33  33.282% * 35.0275% (0.48   6.24  50.84) =  46.607%  kept
          HB2   ARG+  54 - HN    PHE   55   3.45 +/- 0.29  54.047% * 14.6875% (0.39   3.26   2.99) =  31.736%  kept
          HG3   GLN   30 - HN    LEU   31   4.74 +/- 0.60  11.236% * 48.2036% (0.60   6.94  50.84) =  21.654%  kept
          HB2   PRO   93 - HN    PHE   55   6.87 +/- 0.73   1.174% *  0.0412% (0.18   0.02   0.02) =   0.002%
          HB2   LYS+ 111 - HN    PHE   55  10.93 +/- 0.30   0.055% *  0.1047% (0.45   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    LEU   31   9.63 +/- 0.40   0.119% *  0.0433% (0.19   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    LEU   31  12.09 +/- 1.35   0.034% *  0.0682% (0.29   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    PHE   55  13.91 +/- 0.58   0.013% *  0.1481% (0.64   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    LEU   31  14.64 +/- 1.36   0.011% *  0.1216% (0.52   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    PHE   55  13.99 +/- 0.39   0.012% *  0.1047% (0.45   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    LEU   31  15.36 +/- 0.44   0.007% *  0.0682% (0.29   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    PHE   55  18.07 +/- 0.94   0.003% *  0.0900% (0.39   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LEU   31  19.29 +/- 1.10   0.002% *  0.1216% (0.52   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    PHE   55  23.28 +/- 0.86   0.001% *  0.1605% (0.69   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    PHE   55  23.88 +/- 0.64   0.000% *  0.1834% (0.79   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    PHE   55  23.42 +/- 0.45   0.001% *  0.1481% (0.64   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   55  22.28 +/- 0.59   0.001% *  0.0900% (0.39   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LEU   31  23.51 +/- 0.37   0.001% *  0.1122% (0.48   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LEU   31  22.49 +/- 0.99   0.001% *  0.0793% (0.34   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LEU   31  19.60 +/- 0.58   0.002% *  0.0312% (0.13   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LEU   31  26.35 +/- 0.65   0.000% *  0.0793% (0.34   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    PHE   55  30.63 +/- 0.29   0.000% *  0.1605% (0.69   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LEU   31  26.84 +/- 0.76   0.000% *  0.0682% (0.29   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   55  27.93 +/- 0.53   0.000% *  0.0571% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 990 (1.34, 7.85, 118.81 ppm):
    24 chemical-shift based assignments, quality = 0.777, support = 7.15, residual support = 232.2:
      O   HB2   LEU   31 - HN    LEU   31   2.44 +/- 0.15  99.733% * 96.0128% (0.78   7.15 232.22) = 100.000%  kept
          HB3   PRO   93 - HN    PHE   55   7.14 +/- 0.48   0.190% *  0.1139% (0.33   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   31  10.80 +/- 1.00   0.017% *  0.2788% (0.81   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LEU   31  11.42 +/- 0.35   0.010% *  0.3041% (0.88   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   31  12.06 +/- 0.38   0.007% *  0.2457% (0.71   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    PHE   55  11.77 +/- 0.57   0.009% *  0.1565% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    PHE   55  11.31 +/- 0.41   0.011% *  0.1198% (0.35   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   31  13.92 +/- 0.62   0.003% *  0.3207% (0.93   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   31  12.24 +/- 0.36   0.007% *  0.1206% (0.35   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    PHE   55  13.12 +/- 0.44   0.004% *  0.1554% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    LEU   31  14.22 +/- 0.80   0.003% *  0.1565% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   31  17.21 +/- 0.48   0.001% *  0.3186% (0.92   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    PHE   55  15.00 +/- 0.44   0.002% *  0.1198% (0.35   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   31  19.76 +/- 0.56   0.000% *  0.2334% (0.68   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    PHE   55  20.24 +/- 1.31   0.000% *  0.1483% (0.43   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   31  17.74 +/- 1.03   0.001% *  0.0636% (0.18   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   31  22.84 +/- 0.94   0.000% *  0.3041% (0.88   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    PHE   55  21.17 +/- 0.61   0.000% *  0.1483% (0.43   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    PHE   55  21.76 +/- 0.93   0.000% *  0.1360% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LEU   31  26.42 +/- 0.39   0.000% *  0.2457% (0.71   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    PHE   55  19.23 +/- 0.59   0.000% *  0.0310% (0.09   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    PHE   55  26.28 +/- 0.50   0.000% *  0.1310% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    PHE   55  26.51 +/- 0.40   0.000% *  0.0763% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    PHE   55  32.14 +/- 0.36   0.000% *  0.0589% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 991 (1.13, 7.85, 118.81 ppm):
    14 chemical-shift based assignments, quality = 0.834, support = 7.15, residual support = 232.2:
      O   HB3   LEU   31 - HN    LEU   31   3.52 +/- 0.04  98.454% * 98.4111% (0.83   7.15 232.22) =  99.999%  kept
          QG1   VAL   24 - HN    LEU   31   8.57 +/- 0.30   0.488% *  0.0683% (0.21   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    LEU   31  10.92 +/- 0.33   0.112% *  0.2752% (0.83   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    PHE   55   8.55 +/- 0.60   0.526% *  0.0462% (0.14   0.02   0.41) =   0.000%
          QG2   VAL  107 - HN    PHE   55   9.05 +/- 0.26   0.346% *  0.0462% (0.14   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    PHE   55  13.07 +/- 0.35   0.038% *  0.1382% (0.42   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    PHE   55  14.49 +/- 0.61   0.021% *  0.1343% (0.41   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    LEU   31  20.79 +/- 0.63   0.002% *  0.2833% (0.86   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    LEU   31  17.66 +/- 0.25   0.006% *  0.0947% (0.29   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    PHE   55  20.79 +/- 0.61   0.002% *  0.0788% (0.24   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    LEU   31  24.14 +/- 0.50   0.001% *  0.1615% (0.49   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    PHE   55  20.68 +/- 0.95   0.003% *  0.0333% (0.10   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    PHE   55  26.11 +/- 0.41   0.001% *  0.1343% (0.41   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LEU   31  27.14 +/- 1.21   0.000% *  0.0947% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 992 (0.79, 7.85, 118.81 ppm):
    10 chemical-shift based assignments, quality = 0.639, support = 7.57, residual support = 232.2:
          HG    LEU   31 - HN    LEU   31   2.66 +/- 0.37  93.110% * 98.3609% (0.64   7.57 232.22) =  99.983%  kept
          QD2   LEU   73 - HN    LEU   31   5.48 +/- 0.48   2.658% *  0.3158% (0.78   0.02   3.24) =   0.009%
          QD1   ILE   56 - HN    PHE   55   4.82 +/- 0.23   3.503% *  0.1828% (0.45   0.02  15.20) =   0.007%
          QG1   VAL   41 - HN    LEU   31   6.17 +/- 0.22   0.725% *  0.0662% (0.16   0.02   0.02) =   0.001%
          QD2   LEU   73 - HN    PHE   55  16.47 +/- 0.77   0.002% *  0.1541% (0.38   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    LEU   31  19.43 +/- 0.24   0.001% *  0.3748% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LEU   31  22.97 +/- 0.63   0.000% *  0.2597% (0.64   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    PHE   55  20.88 +/- 0.46   0.001% *  0.1267% (0.31   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    PHE   55  24.17 +/- 0.60   0.000% *  0.1267% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    PHE   55  19.82 +/- 0.36   0.001% *  0.0323% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.03 A, kept.
 
    Peak 993 (0.04, 7.85, 118.81 ppm):
    4 chemical-shift based assignments, quality = 0.184, support = 6.91, residual support = 232.2:
          QD2   LEU   31 - HN    LEU   31   2.15 +/- 0.15  99.928% * 97.7528% (0.18   6.91 232.22) =  99.999%  kept
          QG2   VAL   43 - HN    LEU   31   7.30 +/- 0.29   0.071% *  1.4176% (0.92   0.02   0.02) =   0.001%
          QG2   VAL   43 - HN    PHE   55  14.43 +/- 0.37   0.001% *  0.6915% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   31 - HN    PHE   55  19.16 +/- 0.32   0.000% *  0.1381% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 994 (0.60, 7.85, 118.81 ppm):
    12 chemical-shift based assignments, quality = 0.602, support = 2.01, residual support = 3.24:
          QD1   LEU   73 - HN    LEU   31   3.52 +/- 0.23  97.775% * 90.8478% (0.60   2.01   3.24) =  99.975%  kept
          QD2   LEU   80 - HN    LEU   31   8.03 +/- 0.46   0.782% *  1.3467% (0.90   0.02   0.02) =   0.012%
          QG1   VAL   83 - HN    LEU   31   8.20 +/- 0.62   0.755% *  0.9027% (0.60   0.02   0.02) =   0.008%
          QD2   LEU  115 - HN    PHE   55   8.63 +/- 0.37   0.498% *  0.6440% (0.43   0.02   0.02) =   0.004%
          QD1   LEU   63 - HN    PHE   55  10.91 +/- 0.43   0.119% *  0.4404% (0.29   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LEU   31  14.07 +/- 0.65   0.025% *  1.3831% (0.92   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   31  14.47 +/- 0.59   0.022% *  0.9027% (0.60   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   31  19.58 +/- 0.56   0.003% *  1.3201% (0.88   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    PHE   55  17.56 +/- 0.48   0.007% *  0.6570% (0.44   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    PHE   55  17.67 +/- 0.36   0.007% *  0.4404% (0.29   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    PHE   55  19.81 +/- 0.43   0.003% *  0.6747% (0.45   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    PHE   55  19.85 +/- 0.84   0.003% *  0.4404% (0.29   0.02   0.02) =   0.000%
    Distance limit 4.72 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 = 8.06, residual support = 50.8:
          HB3   GLN   30 - HN    LEU   31   2.76 +/- 0.18  91.534% * 97.9660% (0.68   8.06  50.84) =  99.994%  kept
          HB    ILE   56 - HN    PHE   55   4.16 +/- 0.13   8.294% *  0.0613% (0.17   0.02  15.20) =   0.006%
          HB3   PRO   58 - HN    PHE   55   8.57 +/- 0.35   0.109% *  0.1601% (0.44   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    PHE   55  10.81 +/- 1.11   0.033% *  0.1417% (0.39   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   31  13.63 +/- 0.26   0.007% *  0.1762% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   31  13.96 +/- 2.11   0.008% *  0.1257% (0.35   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    LEU   31  12.84 +/- 0.32   0.010% *  0.0517% (0.14   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   31  19.09 +/- 4.37   0.003% *  0.1896% (0.53   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   31  22.78 +/- 0.51   0.000% *  0.2904% (0.81   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   31  24.07 +/- 0.32   0.000% *  0.3282% (0.91   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    PHE   55  16.60 +/- 0.39   0.002% *  0.0252% (0.07   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   31  22.36 +/- 0.31   0.000% *  0.1257% (0.35   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    PHE   55  23.21 +/- 0.38   0.000% *  0.1186% (0.33   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    PHE   55  25.29 +/- 1.81   0.000% *  0.0613% (0.17   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    PHE   55  31.24 +/- 0.30   0.000% *  0.0859% (0.24   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    PHE   55  33.27 +/- 2.62   0.000% *  0.0925% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 6.77, residual support = 48.7:
          HG2   GLN   30 - HN    LEU   31   4.37 +/- 0.36  69.043% * 86.5021% (0.49   7.18  50.84) =  93.637%  kept
          HB3   ASN   28 - HN    LEU   31   5.02 +/- 0.26  30.938% * 13.1176% (0.71   0.75  17.39) =   6.363%  kept
          QE    LYS+ 121 - HN    LEU   31  21.28 +/- 1.25   0.006% *  0.0619% (0.13   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    PHE   55  23.85 +/- 0.83   0.003% *  0.1175% (0.24   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    PHE   55  19.41 +/- 1.15   0.010% *  0.0302% (0.06   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    PHE   55  28.25 +/- 0.59   0.001% *  0.1706% (0.35   0.02   0.02) =   0.000%
    Distance limit 4.35 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 = 6.44, residual support = 50.8:
      O   HA    GLN   30 - HN    LEU   31   3.59 +/- 0.03  88.326% * 96.6861% (0.64   6.44  50.84) =  99.988%  kept
          HB2   CYS   53 - HN    PHE   55   5.26 +/- 0.19   9.162% *  0.0593% (0.13   0.02   0.02) =   0.006%
          HD3   PRO   52 - HN    PHE   55   6.81 +/- 0.13   1.927% *  0.1630% (0.35   0.02   0.02) =   0.004%
          HB3   SER   37 - HN    LEU   31   9.50 +/- 0.40   0.267% *  0.2476% (0.53   0.02   0.02) =   0.001%
          HB    THR   39 - HN    LEU   31  10.27 +/- 0.30   0.166% *  0.3176% (0.68   0.02   0.02) =   0.001%
          QB    SER   13 - HN    LEU   31  14.19 +/- 3.16   0.070% *  0.3342% (0.71   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   31  14.05 +/- 0.96   0.027% *  0.4287% (0.91   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   31  17.32 +/- 0.29   0.007% *  0.2476% (0.53   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    PHE   55  16.03 +/- 0.40   0.011% *  0.1208% (0.26   0.02   0.02) =   0.000%
          HB    THR  118 - HN    PHE   55  13.77 +/- 0.32   0.028% *  0.0475% (0.10   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   31  24.97 +/- 0.39   0.001% *  0.3342% (0.71   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   31  21.35 +/- 0.70   0.002% *  0.1216% (0.26   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   31  21.84 +/- 0.31   0.002% *  0.0974% (0.21   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    PHE   55  25.36 +/- 0.53   0.001% *  0.2091% (0.44   0.02   0.02) =   0.000%
          QB    SER   13 - HN    PHE   55  25.28 +/- 1.14   0.001% *  0.1630% (0.35   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    PHE   55  25.78 +/- 0.43   0.001% *  0.1465% (0.31   0.02   0.02) =   0.000%
          HB    THR   39 - HN    PHE   55  26.07 +/- 0.36   0.001% *  0.1549% (0.33   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    PHE   55  28.35 +/- 0.46   0.000% *  0.1208% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 998 (4.13, 7.87, 121.30 ppm):
    18 chemical-shift based assignments, quality = 0.612, support = 6.34, residual support = 162.2:
      O   HA    ARG+  54 - HN    ARG+  54   2.70 +/- 0.01  99.915% * 96.9118% (0.61   6.34 162.20) = 100.000%  kept
          HA    LEU  115 - HN    ASP-  62  10.08 +/- 0.43   0.039% *  0.0883% (0.18   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ARG+  54  13.56 +/- 0.36   0.006% *  0.4717% (0.94   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ASP-  62  10.67 +/- 0.49   0.027% *  0.0572% (0.11   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ARG+  54  16.44 +/- 0.30   0.002% *  0.3058% (0.61   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ASP-  62  14.61 +/- 0.36   0.004% *  0.0572% (0.11   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ASP-  62  16.47 +/- 0.54   0.002% *  0.0465% (0.09   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ARG+  54  18.26 +/- 0.55   0.001% *  0.0828% (0.17   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ARG+  54  24.99 +/- 0.64   0.000% *  0.4727% (0.95   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ASP-  62  19.15 +/- 0.43   0.001% *  0.0837% (0.17   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    ARG+  54  26.71 +/- 0.42   0.000% *  0.4472% (0.89   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    ASP-  62  22.10 +/- 0.62   0.000% *  0.0884% (0.18   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ARG+  54  28.34 +/- 1.49   0.000% *  0.3785% (0.76   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ARG+  54  24.42 +/- 0.62   0.000% *  0.1459% (0.29   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ARG+  54  26.94 +/- 0.39   0.000% *  0.2487% (0.50   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    ASP-  62  22.76 +/- 1.31   0.000% *  0.0708% (0.14   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ASP-  62  22.05 +/- 0.32   0.000% *  0.0273% (0.05   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ASP-  62  22.66 +/- 0.45   0.000% *  0.0155% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1000 (3.68, 6.63, 116.57 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.01, residual support = 70.3:
      O   HB2   TRP   49 - HN    TRP   49   3.58 +/- 0.02  99.940% * 98.0896% (0.98   4.01  70.30) = 100.000%  kept
          HA2   GLY  109 - HN    TRP   49  13.71 +/- 0.81   0.034% *  0.4471% (0.90   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    TRP   49  14.41 +/- 0.46   0.024% *  0.4942% (0.99   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    TRP   49  23.12 +/- 0.34   0.001% *  0.4716% (0.95   0.02   0.02) =   0.000%
          HA    THR  118 - HN    TRP   49  23.94 +/- 0.20   0.001% *  0.4975% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1001 (0.37, 11.10, 134.86 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 2.64, residual support = 16.9:
          QB    ALA   47 - HE1   TRP   49   2.05 +/- 0.07  99.998% * 98.6147% (1.00   2.64  16.87) = 100.000%  kept
          QG1   VAL   42 - HE1   TRP   49  14.64 +/- 0.55   0.001% *  0.7227% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HE1   TRP   49  14.80 +/- 0.94   0.001% *  0.5144% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HE1   TRP   49  16.42 +/- 0.37   0.000% *  0.1482% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 3.89, residual support = 16.9:
          QB    ALA   47 - HN    TRP   49   2.74 +/- 0.14  99.993% * 99.0558% (1.00   3.89  16.87) = 100.000%  kept
          QG1   VAL   42 - HN    TRP   49  15.80 +/- 0.35   0.003% *  0.4926% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    TRP   49  17.17 +/- 0.88   0.002% *  0.3506% (0.69   0.02   0.02) =   0.000%
          QB    ALA   64 - HN    TRP   49  16.46 +/- 0.36   0.002% *  0.1010% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1003 (3.82, 7.01, 120.97 ppm):
    6 chemical-shift based assignments, quality = 0.816, support = 0.0199, residual support = 0.0199:
          HB2   CYS   53 - HN    ALA   47   5.04 +/- 0.64  71.033% * 22.3733% (0.90   0.02   0.02) =  83.974%  kept
          HD3   PRO   52 - HN    ALA   47   6.00 +/- 0.25  28.296% * 10.2560% (0.41   0.02   0.02) =  15.334%  kept
          HD2   PRO   58 - HN    ALA   47  11.33 +/- 0.32   0.567% * 19.9760% (0.80   0.02   0.02) =   0.598%
          HA    VAL   83 - HN    ALA   47  15.77 +/- 0.43   0.084% * 18.1153% (0.73   0.02   0.02) =   0.080%
          HA    GLN   30 - HN    ALA   47  20.43 +/- 0.43   0.017% * 12.1430% (0.49   0.02   0.02) =   0.011%
          HA    GLU- 100 - HN    ALA   47  26.24 +/- 0.52   0.004% * 17.1363% (0.69   0.02   0.02) =   0.003%
    Distance limit 4.39 A violated in 13 structures by 0.42 A, eliminated.
    Peak unassigned.
 
    Peak 1004 (2.28, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 3.03, residual support = 34.8:
      O   HB2   ASP-  44 - HN    ASP-  44   2.54 +/- 0.22  98.959% * 96.4599% (0.87   3.03  34.83) =  99.994%  kept
          HB3   PHE   72 - HN    ASP-  44   5.90 +/- 0.81   0.999% *  0.5612% (0.76   0.02   0.02) =   0.006%
          QG    GLN   90 - HN    ASP-  44  11.67 +/- 0.89   0.014% *  0.5045% (0.69   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ASP-  44  13.20 +/- 1.27   0.006% *  0.6947% (0.95   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ASP-  44  14.26 +/- 2.08   0.006% *  0.6134% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    ASP-  44  12.44 +/- 0.77   0.010% *  0.2505% (0.34   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ASP-  44  13.87 +/- 0.53   0.004% *  0.1286% (0.18   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ASP-  44  21.68 +/- 2.72   0.000% *  0.6586% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    ASP-  44  19.66 +/- 0.58   0.001% *  0.1286% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1005 (1.70, 8.78, 123.55 ppm):
    11 chemical-shift based assignments, quality = 0.867, support = 2.72, residual support = 6.65:
          HB2   LEU   73 - HN    ASP-  44   4.32 +/- 0.19  96.613% * 95.6355% (0.87   2.72   6.65) =  99.986%  kept
          QG1   ILE   56 - HN    ASP-  44   9.13 +/- 0.32   1.161% *  0.4924% (0.61   0.02   0.02) =   0.006%
          QD    LYS+ 106 - HN    ASP-  44  11.79 +/- 1.03   0.295% *  0.7957% (0.98   0.02   0.02) =   0.003%
          HB    ILE   89 - HN    ASP-  44   9.17 +/- 0.51   1.146% *  0.1253% (0.15   0.02   0.02) =   0.002%
          HB3   MET   92 - HN    ASP-  44  12.39 +/- 0.41   0.180% *  0.5895% (0.73   0.02   0.02) =   0.001%
          QD    LYS+  99 - HN    ASP-  44  13.44 +/- 0.34   0.110% *  0.8046% (0.99   0.02   0.02) =   0.001%
          HG3   PRO   93 - HN    ASP-  44  11.34 +/- 0.56   0.326% *  0.2506% (0.31   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HN    ASP-  44  13.69 +/- 0.75   0.104% *  0.3951% (0.49   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HN    ASP-  44  17.93 +/- 0.87   0.021% *  0.4924% (0.61   0.02   0.02) =   0.000%
          HB2   LEU  123 - HN    ASP-  44  18.58 +/- 0.76   0.016% *  0.2769% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HN    ASP-  44  16.96 +/- 0.44   0.028% *  0.1422% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1006 (1.51, 8.78, 123.55 ppm):
    9 chemical-shift based assignments, quality = 0.569, support = 1.25, residual support = 6.0:
          HB2   LYS+  74 - HN    ASP-  44   5.27 +/- 0.41  62.197% * 62.2484% (0.65   1.22   6.00) =  78.846%  kept
          HD3   LYS+  74 - HN    ASP-  44   5.93 +/- 0.53  34.338% * 30.1169% (0.28   1.38   6.00) =  21.061%  kept
          QG2   THR   26 - HN    ASP-  44   8.96 +/- 0.51   2.553% *  1.4116% (0.90   0.02   0.02) =   0.073%
          HG2   LYS+  65 - HN    ASP-  44  13.03 +/- 0.84   0.295% *  1.4889% (0.95   0.02   0.02) =   0.009%
          QD    LYS+  66 - HN    ASP-  44  15.10 +/- 0.77   0.112% *  1.4116% (0.90   0.02   0.02) =   0.003%
          HG    LEU  104 - HN    ASP-  44  13.34 +/- 0.46   0.230% *  0.6471% (0.41   0.02   0.02) =   0.003%
          HD2   LYS+ 121 - HN    ASP-  44  17.10 +/- 1.16   0.055% *  1.5428% (0.98   0.02   0.02) =   0.002%
          HB3   LYS+ 121 - HN    ASP-  44  15.35 +/- 0.42   0.099% *  0.6471% (0.41   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HN    ASP-  44  14.80 +/- 0.30   0.121% *  0.4858% (0.31   0.02   0.02) =   0.001%
    Distance limit 4.66 A violated in 5 structures by 0.19 A, kept.
 
    Peak 1007 (1.35, 8.78, 123.55 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 3.33, residual support = 34.8:
      O   HB3   ASP-  44 - HN    ASP-  44   3.24 +/- 0.28  98.620% * 95.3191% (0.99   3.33  34.83) =  99.993%  kept
          QB    ALA   84 - HN    ASP-  44   8.47 +/- 0.29   0.359% *  0.5007% (0.87   0.02   0.02) =   0.002%
          HB2   LEU   63 - HN    ASP-  44   8.72 +/- 0.52   0.313% *  0.5460% (0.95   0.02   0.02) =   0.002%
          HB3   PRO   93 - HN    ASP-  44   9.08 +/- 0.67   0.249% *  0.4821% (0.84   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    ASP-  44   9.38 +/- 0.88   0.205% *  0.5460% (0.95   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    ASP-  44  10.32 +/- 1.30   0.131% *  0.5007% (0.87   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    ASP-  44  11.96 +/- 0.50   0.043% *  0.4191% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ASP-  44  11.93 +/- 0.92   0.046% *  0.1605% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  44  16.35 +/- 0.35   0.007% *  0.3734% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  44  14.98 +/- 0.54   0.011% *  0.2166% (0.38   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  44  18.70 +/- 0.66   0.003% *  0.5721% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ASP-  44  17.56 +/- 0.45   0.004% *  0.1142% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  44  18.64 +/- 0.31   0.003% *  0.1605% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ASP-  44  17.76 +/- 0.76   0.004% *  0.0891% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1008 (0.75, 8.78, 123.55 ppm):
    7 chemical-shift based assignments, quality = 0.896, support = 4.16, residual support = 15.3:
          QG1   VAL   43 - HN    ASP-  44   4.36 +/- 0.10  77.812% * 97.7599% (0.90   4.17  15.35) =  99.857%  kept
          QG2   VAL   18 - HN    ASP-  44   6.18 +/- 0.71  11.575% *  0.5218% (1.00   0.02   0.02) =   0.079%
          QG2   THR   46 - HN    ASP-  44   6.59 +/- 0.51   7.181% *  0.5183% (0.99   0.02   0.02) =   0.049%
          QG1   VAL   41 - HN    ASP-  44   8.47 +/- 0.36   1.498% *  0.3797% (0.73   0.02   0.02) =   0.007%
          QD1   ILE   19 - HN    ASP-  44   8.80 +/- 0.16   1.161% *  0.3996% (0.76   0.02   0.02) =   0.006%
          HG    LEU   31 - HN    ASP-  44   9.93 +/- 0.68   0.634% *  0.1035% (0.20   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    ASP-  44  12.76 +/- 0.67   0.138% *  0.3172% (0.61   0.02   0.02) =   0.001%
    Distance limit 4.24 A violated in 0 structures by 0.12 A, kept.
 
    Peak 1009 (0.06, 8.78, 123.55 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.7, residual support = 15.3:
          QG2   VAL   43 - HN    ASP-  44   3.00 +/- 0.15  98.016% * 99.0013% (0.65   3.70  15.35) =  99.994%  kept
          QD2   LEU   31 - HN    ASP-  44   7.15 +/- 0.30   0.574% *  0.6317% (0.76   0.02   0.02) =   0.004%
          QD1   ILE   89 - HN    ASP-  44   6.37 +/- 0.16   1.139% *  0.1119% (0.14   0.02   0.02) =   0.001%
          QG2   VAL   83 - HN    ASP-  44   8.14 +/- 0.45   0.271% *  0.2551% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1010 (4.84, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.513, support = 0.0195, residual support = 0.0195:
          HA    PHE   45 - HN    VAL   43   8.12 +/- 0.14  96.961% * 36.5033% (0.53   0.02   0.02) =  97.577%  kept
          HA    ASP-  78 - HN    VAL   43  17.13 +/- 0.22   1.104% * 42.0822% (0.61   0.02   0.02) =   1.280%
          HA    THR   23 - HN    VAL   43  15.62 +/- 0.31   1.935% * 21.4145% (0.31   0.02   0.02) =   1.142%
    Distance limit 4.58 A violated in 20 structures by 3.54 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   4.55 +/- 0.10 100.000% *100.0000% (0.53   1.50  16.41) = 100.000%  kept
    Distance limit 4.56 A violated in 0 structures by 0.03 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   2.78 +/- 0.17  99.801% * 97.4132% (0.97   2.96  16.41) =  99.999%  kept
          HB    VAL   70 - HN    VAL   43   9.09 +/- 0.30   0.089% *  0.6123% (0.90   0.02   0.02) =   0.001%
          HB2   ASP- 105 - HN    VAL   43   9.23 +/- 0.27   0.082% *  0.1898% (0.28   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    VAL   43  12.93 +/- 0.72   0.011% *  0.5702% (0.84   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    VAL   43  13.37 +/- 0.80   0.009% *  0.3865% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    VAL   43  14.25 +/- 0.43   0.006% *  0.3323% (0.49   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   43  17.83 +/- 0.26   0.002% *  0.4957% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1013 (1.76, 9.16, 125.94 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.24, residual support = 59.8:
      O   HB    VAL   43 - HN    VAL   43   2.75 +/- 0.13  99.903% * 98.9800% (0.87   4.24  59.82) = 100.000%  kept
          HB2   LYS+  99 - HN    VAL   43  10.02 +/- 0.73   0.051% *  0.4115% (0.76   0.02   0.02) =   0.000%
          HB    ILE   89 - HN    VAL   43  10.22 +/- 0.38   0.040% *  0.0943% (0.18   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    VAL   43  16.53 +/- 0.51   0.002% *  0.4311% (0.80   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   43  14.91 +/- 0.32   0.004% *  0.0831% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1014 (1.37, 9.16, 125.94 ppm):
    15 chemical-shift based assignments, quality = 0.803, support = 5.25, residual support = 36.9:
          HB    VAL   42 - HN    VAL   43   4.42 +/- 0.13  55.169% * 76.1319% (0.84   5.53  39.39) =  92.582%  kept
          HG    LEU   98 - HN    VAL   43   5.58 +/- 0.91  17.462% * 12.1828% (0.49   1.52   0.02) =   4.689%  kept
          HB3   ASP-  44 - HN    VAL   43   5.71 +/- 0.56  13.343% *  9.1366% (0.25   2.22  15.35) =   2.687%  kept
          HB3   LEU   73 - HN    VAL   43   7.67 +/- 0.32   2.125% *  0.2954% (0.90   0.02   8.15) =   0.014%
          QB    LEU   98 - HN    VAL   43   6.04 +/- 0.22   8.556% *  0.0577% (0.18   0.02   0.02) =   0.011%
          HG3   LYS+ 106 - HN    VAL   43   8.43 +/- 0.88   1.461% *  0.3287% (1.00   0.02   0.02) =   0.011%
          QB    ALA   84 - HN    VAL   43   9.90 +/- 0.26   0.447% *  0.1998% (0.61   0.02   0.02) =   0.002%
          HB2   LEU   63 - HN    VAL   43   8.76 +/- 0.52   0.974% *  0.0577% (0.18   0.02   0.02) =   0.001%
          HB3   PRO   93 - HN    VAL   43  10.95 +/- 0.41   0.245% *  0.2131% (0.65   0.02   0.02) =   0.001%
          HG3   LYS+ 102 - HN    VAL   43  13.62 +/- 0.77   0.068% *  0.3041% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    VAL   43  13.54 +/- 0.40   0.069% *  0.2518% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   43  15.12 +/- 0.53   0.035% *  0.2752% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   43  18.05 +/- 0.40   0.012% *  0.3179% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    VAL   43  16.70 +/- 0.67   0.020% *  0.1236% (0.38   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   43  19.37 +/- 1.98   0.012% *  0.1236% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1015 (0.75, 9.16, 125.94 ppm):
    7 chemical-shift based assignments, quality = 0.897, support = 5.15, residual support = 59.8:
          QG1   VAL   43 - HN    VAL   43   2.16 +/- 0.26  99.610% * 98.1802% (0.90   5.15  59.82) =  99.999%  kept
          QG1   VAL   41 - HN    VAL   43   6.12 +/- 0.49   0.274% *  0.3085% (0.73   0.02   1.72) =   0.001%
          QG2   VAL   18 - HN    VAL   43   8.38 +/- 0.61   0.049% *  0.4239% (1.00   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   43  10.10 +/- 0.50   0.014% *  0.4211% (0.99   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   43   9.14 +/- 0.68   0.022% *  0.2577% (0.61   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   43  10.79 +/- 0.22   0.009% *  0.3247% (0.76   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   43   9.57 +/- 0.90   0.023% *  0.0841% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1016 (0.56, 9.16, 125.94 ppm):
    8 chemical-shift based assignments, quality = 0.717, support = 2.19, residual support = 1.66:
          QG2   VAL   41 - HN    VAL   43   4.68 +/- 0.50  14.045% * 96.2015% (0.73   2.27   1.72) =  96.260%  kept
          QD2   LEU   98 - HN    VAL   43   3.42 +/- 0.88  80.251% *  0.6133% (0.53   0.02   0.02) =   3.507%  kept
          QD1   LEU   63 - HN    VAL   43   6.39 +/- 0.46   2.474% *  0.5226% (0.45   0.02   0.02) =   0.092%
          QD1   LEU   73 - HN    VAL   43   6.12 +/- 0.45   2.406% *  0.5226% (0.45   0.02   8.15) =   0.090%
          QD2   LEU   63 - HN    VAL   43   8.00 +/- 0.58   0.574% *  1.1426% (0.98   0.02   0.02) =   0.047%
          QD1   LEU   80 - HN    VAL   43  11.55 +/- 1.40   0.061% *  0.6133% (0.53   0.02   0.02) =   0.003%
          QD2   LEU   80 - HN    VAL   43  10.61 +/- 0.74   0.110% *  0.1799% (0.15   0.02   0.02) =   0.001%
          QD2   LEU  115 - HN    VAL   43  11.02 +/- 0.58   0.080% *  0.2042% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1017 (0.37, 9.16, 125.94 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 5.13, residual support = 39.4:
          QG1   VAL   42 - HN    VAL   43   2.85 +/- 0.25  99.802% * 99.2447% (0.97   5.13  39.39) = 100.000%  kept
          QB    ALA   64 - HN    VAL   43   8.31 +/- 0.39   0.182% *  0.0794% (0.20   0.02   0.02) =   0.000%
          QB    ALA   47 - HN    VAL   43  13.05 +/- 0.15   0.012% *  0.4003% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   43  16.26 +/- 0.67   0.003% *  0.2756% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1018 (0.08, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.853, support = 0.02, residual support = 0.02:
          QD1   ILE   89 - HN    VAL   43   6.31 +/- 0.13  55.120% * 34.1913% (0.90   0.02   0.02) =  58.638%  kept
          QD2   LEU   31 - HN    VAL   43   6.77 +/- 0.32  36.555% * 27.6841% (0.73   0.02   0.02) =  31.487%  kept
          QG2   VAL   83 - HN    VAL   43   8.67 +/- 0.34   8.326% * 38.1246% (1.00   0.02   0.02) =   9.876%  kept
    Distance limit 4.04 A violated in 20 structures by 1.67 A, eliminated.
    Peak unassigned.
 
    Peak 1019 (1.83, 8.95, 126.35 ppm):
    13 chemical-shift based assignments, quality = 0.925, support = 5.15, residual support = 22.5:
          HB    VAL   41 - HN    VAL   42   4.16 +/- 0.12  65.991% * 87.9841% (0.97   5.30  23.59) =  94.646%  kept
          HB2   LEU   71 - HN    VAL   42   4.75 +/- 0.40  32.462% * 10.1104% (0.22   2.64   2.46) =   5.350%  kept
          HG12  ILE  103 - HN    VAL   42  10.20 +/- 0.37   0.311% *  0.3442% (1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HN    VAL   42  10.35 +/- 0.56   0.292% *  0.2875% (0.84   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HN    VAL   42   9.82 +/- 0.39   0.392% *  0.0531% (0.15   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   42  11.90 +/- 0.70   0.127% *  0.1174% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   42  11.55 +/- 0.29   0.144% *  0.0858% (0.25   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    VAL   42  12.06 +/- 0.99   0.127% *  0.0766% (0.22   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   42  15.15 +/- 0.65   0.029% *  0.3087% (0.90   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    VAL   42  12.29 +/- 0.15   0.098% *  0.0681% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   42  16.35 +/- 0.46   0.018% *  0.1949% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   42  20.43 +/- 0.30   0.005% *  0.3087% (0.90   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    VAL   42  20.92 +/- 0.59   0.004% *  0.0603% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1020 (1.38, 8.95, 126.35 ppm):
    15 chemical-shift based assignments, quality = 0.98, support = 5.53, residual support = 87.6:
      O   HB    VAL   42 - HN    VAL   42   2.34 +/- 0.10  99.489% * 97.0641% (0.98   5.53  87.63) =  99.999%  kept
          HB3   LEU   73 - HN    VAL   42   7.03 +/- 0.20   0.144% *  0.3388% (0.95   0.02   2.83) =   0.001%
          QB    LEU   98 - HN    VAL   42   6.64 +/- 0.32   0.208% *  0.2028% (0.57   0.02   0.28) =   0.000%
          HG    LEU   98 - HN    VAL   42   7.50 +/- 0.49   0.103% *  0.0485% (0.14   0.02   0.28) =   0.000%
          HG3   LYS+  33 - HN    VAL   42  10.40 +/- 0.67   0.014% *  0.3573% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    VAL   42  11.55 +/- 0.75   0.008% *  0.2737% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   42   9.94 +/- 0.46   0.018% *  0.1105% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    VAL   42  13.07 +/- 0.55   0.004% *  0.3510% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    VAL   42  14.31 +/- 0.87   0.002% *  0.3306% (0.92   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    VAL   42  16.57 +/- 1.73   0.001% *  0.2991% (0.84   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    VAL   42  12.92 +/- 0.29   0.004% *  0.0709% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    VAL   42  13.95 +/- 0.89   0.002% *  0.0996% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    VAL   42  14.16 +/- 0.47   0.002% *  0.0797% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   42  15.46 +/- 1.01   0.001% *  0.0627% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    VAL   42  20.24 +/- 0.33   0.000% *  0.3107% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1021 (0.91, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.979, support = 0.963, residual support = 1.46:
          QD1   LEU   40 - HN    VAL   42   4.51 +/- 0.06  94.876% * 97.3476% (0.98   0.96   1.46) =  99.909%  kept
          QD2   LEU   67 - HN    VAL   42   7.50 +/- 0.59   5.023% *  1.6496% (0.80   0.02   0.02) =   0.090%
          QG1   VAL  108 - HN    VAL   42  14.26 +/- 0.73   0.101% *  1.0028% (0.49   0.02   0.02) =   0.001%
    Distance limit 4.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1022 (0.75, 8.95, 126.35 ppm):
    7 chemical-shift based assignments, quality = 0.818, support = 4.79, residual support = 32.1:
          QG1   VAL   43 - HN    VAL   42   4.30 +/- 0.14  51.484% * 49.5202% (0.90   4.32  39.39) =  53.743%  kept
          QG1   VAL   41 - HN    VAL   42   4.41 +/- 0.08  44.251% * 49.5694% (0.73   5.34  23.59) =  46.239%  kept
          QG2   VAL   18 - HN    VAL   42   7.35 +/- 0.54   2.255% *  0.2553% (1.00   0.02   0.02) =   0.012%
          QD1   ILE   19 - HN    VAL   42   9.24 +/- 0.26   0.525% *  0.1956% (0.76   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    VAL   42   9.25 +/- 0.64   0.619% *  0.1552% (0.61   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    VAL   42   9.44 +/- 1.20   0.743% *  0.0506% (0.20   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    VAL   42  11.85 +/- 0.50   0.122% *  0.2536% (0.99   0.02   0.02) =   0.001%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1023 (0.56, 8.95, 126.35 ppm):
    8 chemical-shift based assignments, quality = 0.726, support = 5.84, residual support = 23.6:
          QG2   VAL   41 - HN    VAL   42   3.00 +/- 0.16  89.226% * 98.4875% (0.73   5.84  23.59) =  99.970%  kept
          QD2   LEU   98 - HN    VAL   42   4.84 +/- 0.61   6.106% *  0.2442% (0.53   0.02   0.28) =   0.017%
          QD1   LEU   73 - HN    VAL   42   5.36 +/- 0.24   2.952% *  0.2081% (0.45   0.02   2.83) =   0.007%
          QD2   LEU   63 - HN    VAL   42   7.49 +/- 0.93   0.643% *  0.4550% (0.98   0.02   0.02) =   0.003%
          QD1   LEU   63 - HN    VAL   42   6.64 +/- 0.68   1.009% *  0.2081% (0.45   0.02   0.02) =   0.002%
          QD1   LEU   80 - HN    VAL   42  13.12 +/- 1.31   0.017% *  0.2442% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   42  12.05 +/- 0.57   0.022% *  0.0813% (0.18   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   42  12.02 +/- 0.74   0.025% *  0.0716% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 87.6:
          QG1   VAL   42 - HN    VAL   42   3.69 +/- 0.06  99.976% * 99.2618% (0.87   5.46  87.63) = 100.000%  kept
          QB    ALA   47 - HN    VAL   42  15.73 +/- 0.11   0.017% *  0.3202% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HN    VAL   42  18.26 +/- 0.71   0.007% *  0.4180% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1025 (0.15, 8.95, 126.35 ppm):
    3 chemical-shift based assignments, quality = 0.592, support = 5.24, residual support = 85.5:
          QG2   VAL   42 - HN    VAL   42   2.61 +/- 0.16  68.221% * 94.7401% (0.61   5.36  87.63) =  97.605%  kept
          QG2   VAL   70 - HN    VAL   42   2.99 +/- 0.22  31.727% *  4.9988% (0.14   1.27   1.25) =   2.395%
          QG2   VAL   75 - HN    VAL   42   8.75 +/- 0.34   0.052% *  0.2611% (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 = 69.0:
      O   HB    VAL   41 - HN    VAL   41   3.02 +/- 0.30  97.011% * 97.1020% (0.90   4.37  68.97) =  99.990%  kept
          HB2   LEU   71 - HN    VAL   41   5.73 +/- 0.20   2.351% *  0.3006% (0.61   0.02   2.75) =   0.008%
          HG12  ILE  103 - HN    VAL   41   7.98 +/- 0.32   0.372% *  0.3788% (0.76   0.02   0.02) =   0.001%
          QB    LYS+ 102 - HN    VAL   41   8.62 +/- 0.96   0.221% *  0.3788% (0.76   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    VAL   41  12.48 +/- 0.49   0.024% *  0.4913% (0.99   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    VAL   41  14.60 +/- 0.24   0.009% *  0.3206% (0.65   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   41  16.45 +/- 0.68   0.004% *  0.2413% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   41  19.12 +/- 0.37   0.002% *  0.4689% (0.95   0.02   0.02) =   0.000%
          HB3   GLN   17 - HN    VAL   41  15.61 +/- 0.48   0.006% *  0.0765% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   41  23.41 +/- 0.30   0.001% *  0.2413% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 3.83, residual support = 17.8:
          HG    LEU   40 - HN    VAL   41   3.31 +/- 0.58  97.783% * 80.8296% (0.18   3.83  17.85) =  99.955%  kept
          HG    LEU   73 - HN    VAL   41   7.04 +/- 0.43   1.472% *  1.4612% (0.61   0.02   0.95) =   0.027%
          HB3   LEU   67 - HN    VAL   41   9.02 +/- 0.77   0.384% *  2.2790% (0.95   0.02   0.02) =   0.011%
          HG2   LYS+ 102 - HN    VAL   41  10.59 +/- 1.12   0.154% *  1.1727% (0.49   0.02   0.02) =   0.002%
          HG12  ILE   19 - HN    VAL   41  12.16 +/- 0.37   0.057% *  2.1606% (0.90   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    VAL   41  14.40 +/- 0.28   0.021% *  2.4038% (1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    VAL   41  14.17 +/- 0.41   0.023% *  1.9291% (0.80   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    VAL   41  13.28 +/- 1.17   0.042% *  0.8218% (0.34   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    VAL   41  16.65 +/- 0.85   0.009% *  2.3250% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    VAL   41  13.77 +/- 0.38   0.027% *  0.7436% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    VAL   41  17.40 +/- 0.36   0.007% *  2.2790% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    VAL   41  16.82 +/- 0.86   0.009% *  1.1727% (0.49   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    VAL   41  15.85 +/- 0.55   0.012% *  0.4219% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 7 structures by 0.15 A, kept.
 
    Peak 1028 (1.28, 9.02, 128.16 ppm):
    7 chemical-shift based assignments, quality = 0.846, support = 1.33, residual support = 8.32:
          QB    ALA   34 - HN    VAL   41   4.33 +/- 0.21  79.177% * 71.5442% (0.90   1.32   9.05) =  91.786%  kept
          QG2   THR   39 - HN    VAL   41   5.48 +/- 0.15  20.158% * 25.1278% (0.28   1.49   0.13) =   8.207%  kept
          HG3   LYS+  38 - HN    VAL   41  10.18 +/- 0.66   0.513% *  0.6381% (0.53   0.02   0.02) =   0.005%
          QG2   ILE   56 - HN    VAL   41  14.15 +/- 0.32   0.067% *  0.8807% (0.73   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    VAL   41  17.68 +/- 0.15   0.017% *  1.2021% (0.99   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    VAL   41  14.77 +/- 0.35   0.052% *  0.2700% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    VAL   41  18.11 +/- 0.87   0.016% *  0.3372% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 4.57, residual support = 17.8:
          QD2   LEU   40 - HN    VAL   41   2.47 +/- 0.58  99.126% * 97.7783% (0.92   4.57  17.85) =  99.997%  kept
          QD1   LEU   67 - HN    VAL   41   7.79 +/- 0.81   0.231% *  0.4387% (0.95   0.02   0.02) =   0.001%
          QD2   LEU   71 - HN    VAL   41   7.28 +/- 0.50   0.286% *  0.3000% (0.65   0.02   2.75) =   0.001%
          QG2   ILE  103 - HN    VAL   41   8.24 +/- 0.17   0.128% *  0.4597% (0.99   0.02   0.02) =   0.001%
          QD1   ILE  103 - HN    VAL   41   8.28 +/- 0.65   0.206% *  0.2440% (0.53   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    VAL   41  15.02 +/- 0.68   0.004% *  0.4628% (1.00   0.02   0.02) =   0.000%
          QG2   ILE  119 - HN    VAL   41  12.61 +/- 0.39   0.010% *  0.1582% (0.34   0.02   0.02) =   0.000%
          HB    VAL   75 - HN    VAL   41  12.88 +/- 0.45   0.009% *  0.1582% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 4.27, residual support = 69.0:
          QG1   VAL   41 - HN    VAL   41   2.18 +/- 0.23  98.956% * 98.0986% (1.00   4.27  68.97) =  99.997%  kept
          QG1   VAL   43 - HN    VAL   41   5.19 +/- 0.20   0.605% *  0.4343% (0.95   0.02   1.72) =   0.003%
          QD2   LEU   73 - HN    VAL   41   6.48 +/- 0.68   0.212% *  0.2058% (0.45   0.02   0.95) =   0.000%
          QD2   LEU  104 - HN    VAL   41   6.61 +/- 0.63   0.190% *  0.0909% (0.20   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   41   9.45 +/- 1.17   0.022% *  0.2785% (0.61   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    VAL   41  10.88 +/- 0.49   0.008% *  0.3509% (0.76   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    VAL   41  11.56 +/- 0.32   0.005% *  0.1417% (0.31   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   41  14.79 +/- 0.51   0.001% *  0.2970% (0.65   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    VAL   41  15.44 +/- 0.26   0.001% *  0.1022% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1031 (0.56, 9.02, 128.16 ppm):
    8 chemical-shift based assignments, quality = 0.651, support = 3.64, residual support = 48.8:
          QG2   VAL   41 - HN    VAL   41   3.78 +/- 0.12  39.420% * 70.5436% (0.73   4.38  68.97) =  62.618%  kept
          QD2   LEU   98 - HN    VAL   41   3.54 +/- 0.60  58.764% * 28.2432% (0.53   2.42  15.02) =  37.373%  kept
          QD1   LEU   73 - HN    VAL   41   6.66 +/- 0.33   1.309% *  0.1991% (0.45   0.02   0.95) =   0.006%
          QD2   LEU   63 - HN    VAL   41   9.38 +/- 0.91   0.201% *  0.4352% (0.98   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    VAL   41   8.92 +/- 0.62   0.256% *  0.1991% (0.45   0.02   0.02) =   0.001%
          QD1   LEU   80 - HN    VAL   41  14.71 +/- 1.29   0.012% *  0.2336% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    VAL   41  13.51 +/- 0.68   0.021% *  0.0685% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   41  14.06 +/- 0.57   0.015% *  0.0778% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1032 (0.21, 9.02, 128.16 ppm):
    2 chemical-shift based assignments, quality = 0.175, support = 2.71, residual support = 2.71:
          QG2   VAL   70 - HN    VAL   41   3.85 +/- 0.22  99.628% * 98.4459% (0.18   2.71   2.71) =  99.994%  kept
          QG2   THR  118 - HN    VAL   41   9.85 +/- 0.23   0.372% *  1.5541% (0.38   0.02   0.02) =   0.006%
    Distance limit 4.86 A violated in 0 structures by 0.00 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 1033 (4.04, 8.88, 128.13 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 1.5, residual support = 32.8:
          HA    VAL   70 - HN    LEU   40   3.67 +/- 0.51  96.996% * 90.5299% (0.28   1.50  32.81) =  99.863%  kept
          HB2   SER   37 - HN    LEU   40   7.10 +/- 0.63   2.857% *  4.0076% (0.92   0.02   0.02) =   0.130%
          HA1   GLY   16 - HN    LEU   40  11.31 +/- 1.51   0.141% *  4.2554% (0.98   0.02   0.02) =   0.007%
          HA    GLN  116 - HN    LEU   40  19.01 +/- 0.61   0.006% *  1.2071% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1034 (3.84, 8.88, 128.13 ppm):
    8 chemical-shift based assignments, quality = 0.411, support = 3.98, residual support = 24.2:
          HB    THR   39 - HN    LEU   40   3.78 +/- 0.07  95.801% * 95.0550% (0.41   3.98  24.24) =  99.984%  kept
          HB3   SER   37 - HN    LEU   40   6.44 +/- 0.29   4.095% *  0.3227% (0.28   0.02   0.02) =   0.015%
          HA    GLN   30 - HN    LEU   40  12.58 +/- 0.35   0.072% *  1.0978% (0.95   0.02   0.02) =   0.001%
          QB    SER   13 - HN    LEU   40  15.85 +/- 2.00   0.025% *  0.5203% (0.45   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LEU   40  23.99 +/- 0.77   0.002% *  0.8869% (0.76   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   40  23.43 +/- 0.42   0.002% *  0.6570% (0.57   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LEU   40  20.90 +/- 0.28   0.003% *  0.3227% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LEU   40  27.71 +/- 0.29   0.001% *  1.1376% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1035 (2.99, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.566, support = 1.15, residual support = 12.7:
          QE    LYS+  99 - HN    LEU   40   2.52 +/- 0.48  99.886% * 90.6614% (0.57   1.15  12.71) =  99.998%  kept
          HB2   PHE   97 - HN    LEU   40  10.42 +/- 0.38   0.030% *  2.6905% (0.97   0.02   1.24) =   0.001%
          QE    LYS+  38 - HN    LEU   40   9.44 +/- 0.53   0.064% *  0.8605% (0.31   0.02   0.02) =   0.001%
          QE    LYS+ 106 - HN    LEU   40  15.03 +/- 1.09   0.005% *  1.5784% (0.57   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   40  16.51 +/- 0.34   0.002% *  2.7327% (0.98   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    LEU   40  12.65 +/- 0.70   0.011% *  0.4302% (0.15   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    LEU   40  15.84 +/- 0.54   0.003% *  1.0463% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.75 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 = 5.06, residual support = 104.6:
      O   HB2   LEU   40 - HN    LEU   40   2.28 +/- 0.19  99.994% * 98.9112% (0.97   5.06 104.57) = 100.000%  kept
          HB3   MET   96 - HN    LEU   40  13.67 +/- 0.32   0.003% *  0.3737% (0.92   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HN    LEU   40  16.32 +/- 1.62   0.001% *  0.2619% (0.65   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    LEU   40  14.97 +/- 1.38   0.002% *  0.0901% (0.22   0.02   0.02) =   0.000%
          HG3   MET   11 - HN    LEU   40  22.00 +/- 3.10   0.000% *  0.1815% (0.45   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    LEU   40  27.27 +/- 0.35   0.000% *  0.1815% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1037 (1.46, 8.88, 128.13 ppm):
    10 chemical-shift based assignments, quality = 0.639, support = 4.8, residual support = 104.6:
      O   HB3   LEU   40 - HN    LEU   40   2.63 +/- 0.20  93.957% * 34.2291% (0.61   4.69 104.57) =  89.752%  kept
          HG    LEU   40 - HN    LEU   40   4.26 +/- 0.07   5.687% * 64.5620% (0.92   5.81 104.57) =  10.247%  kept
          HG    LEU   67 - HN    LEU   40   8.63 +/- 1.13   0.113% *  0.2360% (0.98   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    LEU   40   7.76 +/- 0.86   0.183% *  0.0372% (0.15   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   40   9.92 +/- 0.27   0.035% *  0.1080% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   40  11.98 +/- 1.54   0.015% *  0.1363% (0.57   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LEU   40  14.92 +/- 0.48   0.003% *  0.2011% (0.84   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   40  13.45 +/- 0.40   0.006% *  0.0669% (0.28   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   40  18.03 +/- 0.63   0.001% *  0.2223% (0.92   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LEU   40  19.73 +/- 1.04   0.001% *  0.2011% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.28, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.278, support = 3.75, residual support = 24.2:
          QG2   THR   39 - HN    LEU   40   2.23 +/- 0.14  99.433% * 93.4644% (0.28   3.75  24.24) =  99.990%  kept
          QB    ALA   34 - HN    LEU   40   5.43 +/- 0.26   0.534% *  1.6099% (0.90   0.02   0.02) =   0.009%
          HG3   LYS+  38 - HN    LEU   40   8.62 +/- 0.21   0.032% *  0.9444% (0.53   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   40  16.55 +/- 0.37   0.001% *  1.3035% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    LEU   40  20.39 +/- 0.25   0.000% *  1.7792% (0.99   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LEU   40  18.20 +/- 0.33   0.000% *  0.3996% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   40  21.63 +/- 0.91   0.000% *  0.4991% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1039 (0.85, 8.88, 128.13 ppm):
    6 chemical-shift based assignments, quality = 0.84, support = 1.47, residual support = 31.7:
          QG1   VAL   70 - HN    LEU   40   3.80 +/- 0.49  93.092% * 62.5258% (0.84   1.50  32.81) =  96.576%  kept
          QD1   LEU   71 - HN    LEU   40   6.59 +/- 0.61   5.943% * 34.6009% (0.98   0.71   0.02) =   3.412%  kept
          HB3   LEU  104 - HN    LEU   40   9.47 +/- 0.58   0.501% *  0.9214% (0.92   0.02   0.02) =   0.008%
          QD1   LEU  123 - HN    LEU   40  11.67 +/- 1.02   0.169% *  0.9783% (0.98   0.02   0.02) =   0.003%
          QG1   VAL   18 - HN    LEU   40  12.66 +/- 0.95   0.095% *  0.7248% (0.73   0.02   0.02) =   0.001%
          HB3   LEU   63 - HN    LEU   40  11.07 +/- 0.61   0.200% *  0.2489% (0.25   0.02   0.02) =   0.001%
    Distance limit 4.11 A violated in 2 structures by 0.05 A, kept.
 
    Peak 1040 (0.97, 8.88, 128.13 ppm):
    7 chemical-shift based assignments, quality = 0.526, support = 5.03, residual support = 104.5:
          QD2   LEU   40 - HN    LEU   40   4.17 +/- 0.12  90.783% * 96.5543% (0.53   5.03 104.57) =  99.939%  kept
          QD2   LEU   71 - HN    LEU   40   7.16 +/- 0.80   4.861% *  0.7154% (0.98   0.02   0.02) =   0.040%
          QD1   LEU   67 - HN    LEU   40   7.33 +/- 0.71   3.702% *  0.4132% (0.57   0.02   0.02) =   0.017%
          QD1   ILE  103 - HN    LEU   40  11.55 +/- 0.69   0.234% *  0.6737% (0.92   0.02   0.02) =   0.002%
          QG2   ILE  103 - HN    LEU   40  10.96 +/- 0.25   0.286% *  0.5013% (0.69   0.02   0.02) =   0.002%
          QG2   ILE  119 - HN    LEU   40  12.75 +/- 0.60   0.117% *  0.5578% (0.76   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HN    LEU   40  17.73 +/- 1.07   0.017% *  0.5844% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1041 (0.20, 8.88, 128.13 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 5.96, residual support = 32.8:
          QG2   VAL   70 - HN    LEU   40   3.52 +/- 0.23 100.000% *100.0000% (0.57   5.96  32.81) = 100.000%  kept
    Distance limit 4.42 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 = 0.258, support = 1.59, residual support = 3.61:
          HA    ALA   34 - HN    THR   39   3.14 +/- 0.29  98.435% * 18.7322% (0.22   1.57   3.84) =  93.936%  kept
          HA    GLU-  36 - HN    THR   39   6.41 +/- 0.10   1.535% * 77.5451% (0.80   1.81   0.13) =   6.063%  kept
          HA    ASN   28 - HN    THR   39  12.58 +/- 0.25   0.026% *  0.4020% (0.38   0.02   0.02) =   0.001%
          HA    ALA  124 - HN    THR   39  19.15 +/- 1.16   0.002% *  1.0338% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    THR   39  23.88 +/- 0.37   0.001% *  0.9607% (0.90   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    THR   39  21.16 +/- 0.37   0.001% *  0.3654% (0.34   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    THR   39  27.77 +/- 0.54   0.000% *  0.9607% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1043 (4.42, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.851, support = 2.43, residual support = 6.66:
          HA    SER   37 - HN    THR   39   4.19 +/- 0.02  81.466% * 48.2291% (0.90   2.26   2.67) =  81.480%  kept
          HA    LEU   40 - HN    THR   39   5.38 +/- 0.05  18.019% * 49.5531% (0.65   3.22  24.24) =  18.517%  kept
          HA    GLU-  15 - HN    THR   39  12.41 +/- 1.54   0.157% *  0.3979% (0.84   0.02   0.02) =   0.001%
          HA    VAL   42 - HN    THR   39  10.71 +/- 0.11   0.290% *  0.1625% (0.34   0.02   0.02) =   0.001%
          HA    GLN   17 - HN    THR   39  15.42 +/- 0.76   0.034% *  0.4273% (0.90   0.02   0.02) =   0.000%
          HA    SER   13 - HN    THR   39  16.68 +/- 2.33   0.027% *  0.3979% (0.84   0.02   0.02) =   0.000%
          HA    THR   46 - HN    THR   39  22.77 +/- 0.16   0.003% *  0.4507% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - HN    THR   39  22.73 +/- 0.41   0.003% *  0.3815% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1044 (3.84, 7.75, 114.55 ppm):
    8 chemical-shift based assignments, quality = 0.376, support = 2.92, residual support = 25.9:
      O   HB    THR   39 - HN    THR   39   2.58 +/- 0.08  49.971% * 70.4676% (0.41   3.33  34.24) =  73.461%  kept
          HB3   SER   37 - HN    THR   39   2.59 +/- 0.21  50.011% * 25.4374% (0.28   1.78   2.67) =  26.539%  kept
          HA    GLN   30 - HN    THR   39   9.98 +/- 0.31   0.015% *  0.9726% (0.95   0.02   0.02) =   0.000%
          QB    SER   13 - HN    THR   39  14.72 +/- 2.62   0.003% *  0.4609% (0.45   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    THR   39  22.81 +/- 0.84   0.000% *  0.7857% (0.76   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    THR   39  22.17 +/- 0.25   0.000% *  0.2859% (0.28   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    THR   39  25.57 +/- 0.49   0.000% *  0.5821% (0.57   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    THR   39  29.82 +/- 0.23   0.000% *  1.0078% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1045 (1.27, 7.75, 114.55 ppm):
    7 chemical-shift based assignments, quality = 0.778, support = 3.1, residual support = 16.6:
          QB    ALA   34 - HN    THR   39   3.67 +/- 0.14  49.585% * 24.4260% (1.00   2.00   3.84) =  48.873%  kept
          QG2   THR   39 - HN    THR   39   3.75 +/- 0.02  43.578% * 20.5672% (0.49   3.45  34.24) =  36.166%  kept
          HG3   LYS+  38 - HN    THR   39   5.12 +/- 0.17   6.815% * 54.4008% (0.76   5.82  15.59) =  14.961%  kept
          HG13  ILE   19 - HN    THR   39  14.09 +/- 0.51   0.016% *  0.0484% (0.20   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    THR   39  18.82 +/- 0.30   0.003% *  0.2260% (0.92   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    THR   39  19.13 +/- 0.16   0.002% *  0.2123% (0.87   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    THR   39  22.99 +/- 0.76   0.001% *  0.1192% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1046 (3.79, 7.88, 117.58 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 6.07, residual support = 209.7:
      O   HA    LYS+  38 - HN    LYS+  38   2.22 +/- 0.00  99.635% * 99.2577% (0.80   6.07 209.68) =  99.999%  kept
          HA    GLU- 100 - HN    LYS+  38   6.21 +/- 1.02   0.364% *  0.2311% (0.57   0.02   0.02) =   0.001%
          HA    VAL   83 - HN    LYS+  38  19.64 +/- 0.68   0.000% *  0.2147% (0.53   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    LYS+  38  17.70 +/- 0.24   0.000% *  0.1135% (0.28   0.02   0.02) =   0.000%
          HD2   PRO   58 - HN    LYS+  38  27.65 +/- 0.29   0.000% *  0.1830% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (2.18, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.07, residual support = 209.7:
      O   HB2   LYS+  38 - HN    LYS+  38   3.58 +/- 0.22  99.843% * 99.0694% (1.00   5.07 209.68) = 100.000%  kept
          HB    VAL   70 - HN    LYS+  38  11.96 +/- 0.79   0.084% *  0.0773% (0.20   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  38  14.98 +/- 0.45   0.020% *  0.2837% (0.73   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  38  13.71 +/- 0.47   0.034% *  0.1333% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HN    LYS+  38  15.93 +/- 1.42   0.015% *  0.0974% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    LYS+  38  19.32 +/- 0.47   0.004% *  0.1333% (0.34   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  38  27.27 +/- 0.60   0.001% *  0.2056% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1048 (1.89, 7.88, 117.58 ppm):
    10 chemical-shift based assignments, quality = 0.897, support = 5.2, residual support = 209.7:
      O   HB3   LYS+  38 - HN    LYS+  38   3.84 +/- 0.17  96.738% * 97.9177% (0.90   5.20 209.68) =  99.997%  kept
          QB    LYS+  33 - HN    LYS+  38   6.96 +/- 0.43   3.065% *  0.0830% (0.20   0.02   0.02) =   0.003%
          HB3   GLN   30 - HN    LYS+  38  11.22 +/- 0.39   0.167% *  0.4158% (0.99   0.02   0.02) =   0.001%
          HG3   MET   11 - HN    LYS+  38  20.41 +/- 4.47   0.016% *  0.0934% (0.22   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  38  17.94 +/- 0.37   0.010% *  0.1431% (0.34   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  38  26.56 +/- 0.43   0.001% *  0.3763% (0.90   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  38  26.84 +/- 0.33   0.001% *  0.3206% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  38  23.64 +/- 0.49   0.002% *  0.1295% (0.31   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  38  28.72 +/- 0.35   0.001% *  0.4158% (0.99   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  38  27.15 +/- 0.89   0.001% *  0.1046% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1049 (1.31, 7.88, 117.58 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.85, residual support = 209.7:
          HG2   LYS+  38 - HN    LYS+  38   2.58 +/- 0.13  99.833% * 98.4019% (0.65   5.85 209.68) = 100.000%  kept
          HG2   LYS+  99 - HN    LYS+  38   8.02 +/- 0.79   0.134% *  0.2736% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    LYS+  38   9.94 +/- 0.26   0.032% *  0.1158% (0.22   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LYS+  38  18.73 +/- 0.65   0.001% *  0.4919% (0.95   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    LYS+  38  20.21 +/- 0.39   0.000% *  0.4919% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    LYS+  38  19.30 +/- 0.14   0.001% *  0.0802% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  38  29.59 +/- 0.30   0.000% *  0.1446% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 25.7:
      O   HB3   SER   37 - HN    SER   37   2.66 +/- 0.36  97.843% * 97.1954% (0.99   3.43  25.73) =  99.988%  kept
          HB    THR   39 - HN    SER   37   5.31 +/- 0.14   2.011% *  0.5673% (0.99   0.02   2.67) =   0.012%
          HA    GLN   30 - HN    SER   37   8.36 +/- 0.24   0.134% *  0.1133% (0.20   0.02   0.02) =   0.000%
          QB    SER   13 - HN    SER   37  14.00 +/- 3.11   0.011% *  0.5610% (0.98   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    SER   37  22.12 +/- 0.89   0.000% *  0.4374% (0.76   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    SER   37  23.47 +/- 0.22   0.000% *  0.5673% (0.99   0.02   0.02) =   0.000%
          HB    THR  118 - HN    SER   37  23.24 +/- 0.35   0.000% *  0.4156% (0.73   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    SER   37  31.38 +/- 0.28   0.000% *  0.1427% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.15, 7.91, 112.05 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.72, residual support = 19.5:
          QB    GLU-  36 - HN    SER   37   3.39 +/- 0.23  99.646% * 98.3026% (1.00   3.72  19.51) =  99.999%  kept
          HB3   GLU-  29 - HN    SER   37  11.80 +/- 0.52   0.063% *  0.4590% (0.87   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    SER   37   9.77 +/- 1.27   0.258% *  0.0927% (0.18   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    SER   37  13.20 +/- 0.43   0.030% *  0.2576% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    SER   37  22.40 +/- 0.67   0.001% *  0.5245% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    SER   37  27.23 +/- 0.62   0.000% *  0.3635% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1053 (1.30, 7.91, 112.05 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 4.09, residual support = 8.34:
          HG2   LYS+  38 - HN    SER   37   4.47 +/- 0.04  98.958% * 97.0455% (0.38   4.09   8.34) =  99.996%  kept
          HG2   LYS+  99 - HN    SER   37   9.84 +/- 0.77   0.990% *  0.3516% (0.28   0.02   0.02) =   0.004%
          QG2   THR   77 - HN    SER   37  19.93 +/- 0.38   0.013% *  1.2534% (0.99   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    SER   37  19.21 +/- 0.57   0.016% *  0.9182% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    SER   37  18.09 +/- 0.09   0.023% *  0.4313% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.55 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   3.24 +/- 0.19  94.516% * 97.9497% (0.65   6.05  45.72) =  99.974%  kept
          QE    LYS+  33 - HN    GLU-  36   6.03 +/- 1.11   5.428% *  0.4340% (0.87   0.02   0.02) =   0.025%
          HB2   ASN   28 - HN    GLU-  36  11.46 +/- 0.41   0.051% *  0.4733% (0.95   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  36  18.08 +/- 0.62   0.003% *  0.4733% (0.95   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  36  21.34 +/- 1.34   0.001% *  0.4992% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  36  26.34 +/- 0.42   0.000% *  0.1707% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 4.95, residual support = 83.6:
          HG2   GLU-  36 - HN    GLU-  36   3.23 +/- 0.44  99.993% * 99.4461% (0.97   4.95  83.61) = 100.000%  kept
          HG3   MET   96 - HN    GLU-  36  16.65 +/- 0.45   0.007% *  0.3334% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HN    GLU-  36  25.04 +/- 0.77   0.001% *  0.1563% (0.38   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  36  31.22 +/- 0.41   0.000% *  0.0642% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 7.41, residual support = 83.6:
      O   QB    GLU-  36 - HN    GLU-  36   2.11 +/- 0.08  99.982% * 99.1818% (0.90   7.41  83.61) = 100.000%  kept
          HB3   GLU-  29 - HN    GLU-  36  10.61 +/- 0.44   0.007% *  0.1810% (0.61   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLU-  36  11.01 +/- 1.35   0.007% *  0.1120% (0.38   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLU-  36  11.66 +/- 0.37   0.004% *  0.0744% (0.25   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  36  21.59 +/- 0.69   0.000% *  0.2822% (0.95   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    GLU-  36  16.95 +/- 0.30   0.000% *  0.0460% (0.15   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  36  26.61 +/- 0.71   0.000% *  0.1227% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (2.29, 7.76, 119.36 ppm):
    11 chemical-shift based assignments, quality = 0.647, support = 4.95, residual support = 83.6:
          HG3   GLU-  36 - HN    GLU-  36   3.86 +/- 0.04  99.632% * 97.3742% (0.65   4.95  83.61) =  99.999%  kept
          QG    GLU-  15 - HN    GLU-  36  11.71 +/- 2.07   0.232% *  0.2727% (0.45   0.02   0.02) =   0.001%
          QB    MET   11 - HN    GLU-  36  16.98 +/- 4.51   0.048% *  0.5455% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    GLU-  36  14.77 +/- 1.96   0.046% *  0.1877% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLU-  36  15.36 +/- 0.43   0.026% *  0.1517% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  36  18.56 +/- 0.43   0.008% *  0.2075% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    GLU-  36  22.20 +/- 0.77   0.003% *  0.2961% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    GLU-  36  25.06 +/- 0.54   0.001% *  0.3443% (0.57   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  36  22.51 +/- 0.99   0.003% *  0.1204% (0.20   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    GLU-  36  29.74 +/- 0.78   0.000% *  0.3935% (0.65   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    GLU-  36  30.23 +/- 0.75   0.000% *  0.1065% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 0.306, support = 0.0199, residual support = 0.0199:
          HA2   GLY  101 - HD22  ASN   35   8.32 +/- 2.16  87.070% * 14.8773% (0.20   0.02   0.02) =  70.183%  kept
          HB2   TRP   27 - HD22  ASN   35  12.83 +/- 0.70  12.799% * 42.5614% (0.57   0.02   0.02) =  29.515%  kept
          HD2   PRO   93 - HD22  ASN   35  26.95 +/- 0.83   0.131% * 42.5614% (0.57   0.02   0.02) =   0.302%
    Distance limit 4.84 A violated in 19 structures by 3.19 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   3.61 +/- 0.10  99.380% * 97.2796% (0.76   3.59  54.18) =  99.996%  kept
          QE    LYS+  33 - HD22  ASN   35  10.17 +/- 1.38   0.380% *  0.5418% (0.76   0.02   0.79) =   0.002%
          HB2   ASN   28 - HD22  ASN   35  10.33 +/- 0.71   0.207% *  0.6150% (0.87   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HD22  ASN   35  14.03 +/- 0.73   0.031% *  0.7027% (0.99   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   35  24.33 +/- 1.34   0.001% *  0.6842% (0.96   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   35  25.19 +/- 0.77   0.001% *  0.1768% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1060 (3.99, 7.37, 110.13 ppm):
    10 chemical-shift based assignments, quality = 0.764, support = 1.65, residual support = 6.85:
          HA    GLN   32 - HD21  ASN   35   3.16 +/- 0.30  98.930% * 90.7944% (0.76   1.65   6.86) =  99.988%  kept
          HA    LYS+  33 - HD21  ASN   35   7.16 +/- 0.25   0.786% *  0.9888% (0.69   0.02   0.79) =   0.009%
          HA    GLU-  29 - HD21  ASN   35   8.58 +/- 0.42   0.264% *  1.2023% (0.83   0.02   0.02) =   0.004%
          HA    VAL   70 - HD21  ASN   35  14.50 +/- 0.66   0.012% *  0.5402% (0.38   0.02   0.02) =   0.000%
          HA    VAL   18 - HD21  ASN   35  18.12 +/- 0.68   0.003% *  1.2486% (0.87   0.02   0.02) =   0.000%
          HB2   SER   82 - HD21  ASN   35  18.53 +/- 0.78   0.003% *  1.3288% (0.92   0.02   0.02) =   0.000%
          HA    ALA   88 - HD21  ASN   35  20.03 +/- 0.62   0.002% *  1.1526% (0.80   0.02   0.02) =   0.000%
          HA    SER   48 - HD21  ASN   35  27.01 +/- 0.86   0.000% *  1.3892% (0.96   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD21  ASN   35  29.20 +/- 0.73   0.000% *  0.8149% (0.57   0.02   0.02) =   0.000%
          HA    GLN  116 - HD21  ASN   35  28.63 +/- 0.88   0.000% *  0.5402% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1061 (2.93, 7.37, 110.13 ppm):
    6 chemical-shift based assignments, quality = 0.606, support = 3.59, residual support = 54.2:
      O   HB2   ASN   35 - HD21  ASN   35   2.48 +/- 0.22  99.775% * 96.3203% (0.61   3.59  54.18) =  99.998%  kept
          QE    LYS+  33 - HD21  ASN   35   8.88 +/- 1.48   0.179% *  0.7932% (0.90   0.02   0.79) =   0.001%
          HB2   ASN   28 - HD21  ASN   35   9.25 +/- 0.53   0.043% *  0.8536% (0.96   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD21  ASN   35  14.36 +/- 0.64   0.003% *  0.8165% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   35  23.64 +/- 1.33   0.000% *  0.8845% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   35  24.67 +/- 0.58   0.000% *  0.3320% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1062 (4.00, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.656, support = 4.06, residual support = 41.7:
      O   HA    GLN   32 - HN    GLN   32   2.73 +/- 0.02  86.415% * 77.5483% (0.65   4.17  43.12) =  96.698%  kept
          HA    GLU-  29 - HN    GLN   32   3.81 +/- 0.13  11.903% * 19.1595% (0.92   0.72   0.02) =   3.291%  kept
          HA    LYS+  33 - HN    GLN   32   5.27 +/- 0.06   1.669% *  0.4599% (0.80   0.02  15.31) =   0.011%
          HA    VAL   18 - HN    GLN   32  14.39 +/- 0.46   0.004% *  0.5433% (0.95   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   32  13.49 +/- 0.36   0.006% *  0.2795% (0.49   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   32  16.55 +/- 0.86   0.002% *  0.5629% (0.98   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   32  19.75 +/- 0.34   0.001% *  0.3945% (0.69   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   32  23.10 +/- 0.64   0.000% *  0.5151% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   32  26.14 +/- 0.42   0.000% *  0.2575% (0.45   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   32  27.50 +/- 0.35   0.000% *  0.2795% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.01, 7.95, 120.58 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 6.12, residual support = 157.7:
      O   HA    LYS+  33 - HN    LYS+  33   2.85 +/- 0.01  96.176% * 98.1670% (0.87   6.12 157.76) =  99.990%  kept
          HA    GLU-  29 - HN    LYS+  33   5.07 +/- 0.22   3.150% *  0.2687% (0.73   0.02   0.02) =   0.009%
          HB2   SER   37 - HN    LYS+  33   7.01 +/- 0.94   0.635% *  0.1801% (0.49   0.02   0.02) =   0.001%
          HA    VAL   70 - HN    LYS+  33  11.68 +/- 0.40   0.021% *  0.3700% (1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  33  13.33 +/- 0.45   0.009% *  0.2542% (0.69   0.02   0.02) =   0.000%
          HA1   GLY   16 - HN    LYS+  33  14.54 +/- 1.16   0.006% *  0.0732% (0.20   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  33  18.95 +/- 0.85   0.001% *  0.2244% (0.61   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  33  26.89 +/- 0.41   0.000% *  0.3700% (1.00   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  33  23.97 +/- 0.60   0.000% *  0.0923% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1064 (4.16, 8.29, 121.00 ppm):
    9 chemical-shift based assignments, quality = 0.683, support = 2.17, residual support = 9.54:
          HA    THR   26 - HN    GLU-  29   3.15 +/- 0.13  59.743% * 39.9621% (0.95   0.99   2.07) =  65.370%  kept
      O   HA    ASN   28 - HN    GLU-  29   3.61 +/- 0.03  26.029% * 37.6932% (0.18   5.06  30.42) =  26.864%  kept
          HA    GLU-  25 - HN    GLU-  29   4.06 +/- 0.23  14.170% * 20.0147% (0.22   2.11   0.18) =   7.766%  kept
          HA    ILE   19 - HN    GLU-  29  11.61 +/- 0.41   0.024% *  0.3498% (0.41   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    GLU-  29  11.16 +/- 0.12   0.030% *  0.2626% (0.31   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    GLU-  29  16.25 +/- 2.14   0.004% *  0.4142% (0.49   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLU-  29  22.92 +/- 0.44   0.000% *  0.5845% (0.69   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLU-  29  28.95 +/- 0.52   0.000% *  0.5505% (0.65   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLU-  29  25.17 +/- 0.40   0.000% *  0.1684% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1065 (2.93, 6.97, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.29, residual support = 89.5:
      O   HB2   ASN   28 - HD22  ASN   28   3.56 +/- 0.06  99.311% * 97.6189% (0.95   3.29  89.52) =  99.996%  kept
          HB2   ASP-  86 - HD22  ASN   28   9.00 +/- 0.75   0.437% *  0.5929% (0.95   0.02   0.02) =   0.003%
          HB2   ASN   35 - HD22  ASN   28  10.57 +/- 0.60   0.161% *  0.4054% (0.65   0.02   0.02) =   0.001%
          QE    LYS+  33 - HD22  ASN   28  12.30 +/- 1.56   0.082% *  0.5437% (0.87   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD22  ASN   28  17.27 +/- 0.78   0.008% *  0.2138% (0.34   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD22  ASN   28  24.43 +/- 1.27   0.001% *  0.6253% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 4.5, residual support = 160.6:
      O   HG2   GLN   30 - HE21  GLN   30   3.40 +/- 0.43  99.538% * 99.2645% (0.61   4.50 160.63) =  99.997%  kept
          HB3   ASN   28 - HE21  GLN   30   8.83 +/- 1.87   0.460% *  0.6080% (0.84   0.02   6.34) =   0.003%
          QE    LYS+ 121 - HE21  GLN   30  20.65 +/- 1.25   0.003% *  0.1275% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1067 (2.72, 6.64, 111.61 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.17, residual support = 160.6:
      O   HG2   GLN   30 - HE22  GLN   30   3.43 +/- 0.56  99.301% * 99.2077% (0.61   4.17 160.63) =  99.995%  kept
          HB3   ASN   28 - HE22  GLN   30   8.67 +/- 0.71   0.696% *  0.6549% (0.84   0.02   6.34) =   0.005%
          QE    LYS+ 121 - HE22  GLN   30  20.72 +/- 1.26   0.003% *  0.1373% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1068 (2.73, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.24, residual support = 89.5:
      O   HB3   ASN   28 - HD22  ASN   28   3.71 +/- 0.07  99.747% * 98.5752% (0.90   3.24  89.52) =  99.998%  kept
          HG2   GLN   30 - HD22  ASN   28  10.14 +/- 0.49   0.251% *  0.6772% (1.00   0.02   6.34) =   0.002%
          QE    LYS+ 121 - HD22  ASN   28  24.99 +/- 1.57   0.001% *  0.4928% (0.73   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD22  ASN   28  25.71 +/- 1.01   0.001% *  0.2547% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1069 (1.07, 6.97, 111.81 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 1.31, residual support = 13.3:
          QG2   VAL   24 - HD22  ASN   28   2.56 +/- 0.45  99.999% * 97.3900% (0.97   1.31  13.25) = 100.000%  kept
          QG1   VAL  107 - HD22  ASN   28  20.14 +/- 0.73   0.001% *  0.5793% (0.38   0.02   0.02) =   0.000%
          HG    LEU   63 - HD22  ASN   28  24.35 +/- 0.88   0.000% *  1.3388% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD22  ASN   28  30.91 +/- 1.12   0.000% *  0.6920% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1070 (4.01, 8.29, 121.00 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 5.96, residual support = 88.1:
      O   HA    GLU-  29 - HN    GLU-  29   2.72 +/- 0.01  99.653% * 97.8474% (0.84   5.96  88.05) = 100.000%  kept
          HA    LYS+  33 - HN    GLU-  29   9.11 +/- 0.22   0.072% *  0.3716% (0.95   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    GLU-  29   7.39 +/- 0.21   0.253% *  0.0606% (0.15   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLU-  29  13.69 +/- 0.73   0.007% *  0.2853% (0.73   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    GLU-  29  14.17 +/- 0.36   0.005% *  0.3146% (0.80   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLU-  29  13.43 +/- 0.92   0.008% *  0.1474% (0.38   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLU-  29  16.40 +/- 0.34   0.002% *  0.3851% (0.98   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLU-  29  19.88 +/- 0.66   0.001% *  0.1340% (0.34   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLU-  29  19.27 +/- 0.30   0.001% *  0.0688% (0.18   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLU-  29  28.53 +/- 0.40   0.000% *  0.3851% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1071 (2.93, 8.29, 121.00 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 5.62, residual support = 30.4:
          HB2   ASN   28 - HN    GLU-  29   2.70 +/- 0.14  99.662% * 98.6180% (0.97   5.62  30.42) =  99.999%  kept
          QE    LYS+  33 - HN    GLU-  29   7.94 +/- 1.60   0.265% *  0.3260% (0.90   0.02   0.02) =   0.001%
          HB2   ASN   35 - HN    GLU-  29   9.33 +/- 0.40   0.063% *  0.2205% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    GLU-  29  13.25 +/- 0.35   0.008% *  0.3356% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    GLU-  29  20.57 +/- 1.19   0.001% *  0.3635% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    GLU-  29  17.46 +/- 0.58   0.001% *  0.1364% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1072 (2.74, 8.29, 121.00 ppm):
    4 chemical-shift based assignments, quality = 0.693, support = 5.38, residual support = 27.9:
          HB3   ASN   28 - HN    GLU-  29   3.46 +/- 0.25  80.637% * 47.6523% (0.65   5.59  30.42) =  79.261%  kept
          HG2   GLN   30 - HN    GLU-  29   4.65 +/- 0.58  19.362% * 51.9281% (0.87   4.55  18.43) =  20.739%  kept
          QE    LYS+ 121 - HN    GLU-  29  24.74 +/- 1.23   0.001% *  0.2492% (0.95   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLU-  29  23.74 +/- 0.71   0.001% *  0.1704% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1073 (2.42, 8.29, 121.00 ppm):
    6 chemical-shift based assignments, quality = 0.566, support = 5.57, residual support = 88.0:
          HG2   GLU-  29 - HN    GLU-  29   3.69 +/- 0.26  88.166% * 97.8247% (0.57   5.57  88.05) =  99.976%  kept
          QG    GLN   32 - HN    GLU-  29   5.87 +/- 1.20  11.786% *  0.1725% (0.28   0.02   0.02) =   0.024%
          HB3   PHE   45 - HN    GLU-  29  15.92 +/- 0.33   0.015% *  0.6148% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HN    GLU-  29  14.16 +/- 0.42   0.030% *  0.2550% (0.41   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLU-  29  22.12 +/- 0.32   0.002% *  0.5181% (0.84   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLU-  29  25.04 +/- 0.65   0.001% *  0.6148% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1075 (4.15, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.699, support = 2.99, residual support = 5.93:
          HA    ASN   28 - HN    GLN   30   4.06 +/- 0.09  43.491% * 48.3411% (0.45   4.01   6.34) =  51.549%  kept
          HA    THR   26 - HN    GLN   30   4.13 +/- 0.18  39.784% * 49.6544% (0.97   1.91   5.51) =  48.436%  kept
          HA1   GLY  101 - HN    LYS+  99   4.91 +/- 0.48  15.844% *  0.0295% (0.05   0.02   1.43) =   0.011%
          HA    ALA   34 - HN    GLN   30   8.87 +/- 0.17   0.401% *  0.3479% (0.65   0.02   0.30) =   0.003%
          HA    ILE   19 - HN    GLN   30   9.60 +/- 0.45   0.263% *  0.0830% (0.15   0.02  13.86) =   0.001%
          HA1   GLY  101 - HN    GLN   30  15.02 +/- 2.05   0.022% *  0.4492% (0.84   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LYS+  99  10.55 +/- 0.37   0.143% *  0.0229% (0.04   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    GLN   30  21.54 +/- 0.39   0.002% *  0.1835% (0.34   0.02   0.02) =   0.000%
          HA    ASN   28 - HN    LYS+  99  14.57 +/- 0.63   0.021% *  0.0158% (0.03   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    GLN   30  23.21 +/- 0.32   0.001% *  0.2618% (0.49   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    GLN   30  27.13 +/- 0.43   0.000% *  0.5088% (0.95   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LYS+  99  15.89 +/- 0.38   0.012% *  0.0172% (0.03   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LYS+  99  17.88 +/- 0.41   0.006% *  0.0334% (0.06   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LYS+  99  19.65 +/- 0.52   0.003% *  0.0341% (0.06   0.02   0.02) =   0.000%
          HA    ILE   19 - HN    LYS+  99  18.74 +/- 0.40   0.004% *  0.0055% (0.01   0.02   0.02) =   0.000%
          HA    CYS   53 - HN    LYS+  99  21.92 +/- 0.30   0.002% *  0.0121% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1076 (4.00, 8.31, 118.54 ppm):
    22 chemical-shift based assignments, quality = 0.998, support = 5.76, residual support = 18.4:
      O   HA    GLU-  29 - HN    GLN   30   3.58 +/- 0.02  96.145% * 97.7052% (1.00   5.76  18.43) =  99.992%  kept
          HA    LYS+  33 - HN    GLN   30   7.49 +/- 0.20   1.154% *  0.3331% (0.98   0.02   0.02) =   0.004%
          HA    GLN   32 - HN    GLN   30   6.76 +/- 0.16   2.127% *  0.1275% (0.38   0.02   1.58) =   0.003%
          HA    VAL   18 - HN    GLN   30  11.79 +/- 0.39   0.077% *  0.3368% (0.99   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    GLN   30  13.71 +/- 0.34   0.031% *  0.2597% (0.76   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    GLN   30  11.21 +/- 0.88   0.115% *  0.0524% (0.15   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    GLN   30  15.22 +/- 0.76   0.017% *  0.3279% (0.97   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LYS+  99  10.26 +/- 0.44   0.179% *  0.0171% (0.05   0.02   0.02) =   0.000%
          HA    SER   48 - HN    GLN   30  19.65 +/- 0.65   0.004% *  0.2198% (0.65   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    GLN   30  19.27 +/- 0.29   0.004% *  0.1397% (0.41   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LYS+  99  14.64 +/- 0.40   0.021% *  0.0219% (0.06   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LYS+  99  13.47 +/- 0.60   0.035% *  0.0084% (0.02   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LYS+  99  16.46 +/- 0.46   0.010% *  0.0221% (0.07   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LYS+  99  12.42 +/- 0.62   0.057% *  0.0034% (0.01   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    GLN   30  26.34 +/- 0.34   0.001% *  0.2597% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LYS+  99  17.67 +/- 0.55   0.007% *  0.0223% (0.07   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    GLN   30  23.27 +/- 0.43   0.001% *  0.0757% (0.22   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LYS+  99  16.83 +/- 0.65   0.009% *  0.0092% (0.03   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LYS+  99  18.84 +/- 0.42   0.005% *  0.0171% (0.05   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    LYS+  99  22.16 +/- 0.44   0.002% *  0.0215% (0.06   0.02   0.02) =   0.000%
          HA    SER   48 - HN    LYS+  99  26.29 +/- 0.29   0.001% *  0.0144% (0.04   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LYS+  99  25.04 +/- 0.16   0.001% *  0.0050% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1077 (3.84, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.923, support = 6.35, residual support = 160.6:
      O   HA    GLN   30 - HN    GLN   30   2.85 +/- 0.01  99.803% * 98.6013% (0.92   6.35 160.63) = 100.000%  kept
          QB    SER   13 - HN    GLN   30  13.06 +/- 3.18   0.039% *  0.1638% (0.49   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    GLN   30  10.73 +/- 0.42   0.036% *  0.1038% (0.31   0.02   0.02) =   0.000%
          HB    THR   39 - HN    GLN   30  11.60 +/- 0.31   0.022% *  0.1508% (0.45   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLN   30  14.32 +/- 0.96   0.007% *  0.2694% (0.80   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LYS+  99   9.90 +/- 0.38   0.058% *  0.0099% (0.03   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LYS+  99  11.51 +/- 0.52   0.024% *  0.0068% (0.02   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLN   30  18.28 +/- 0.29   0.001% *  0.1038% (0.31   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    GLN   30  21.08 +/- 0.66   0.001% *  0.1770% (0.53   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    LYS+  99  15.33 +/- 0.45   0.004% *  0.0204% (0.06   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    GLN   30  24.87 +/- 0.44   0.000% *  0.3247% (0.97   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    LYS+  99  16.72 +/- 0.30   0.002% *  0.0068% (0.02   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    LYS+  99  20.77 +/- 0.55   0.001% *  0.0177% (0.05   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LYS+  99  21.20 +/- 2.38   0.001% *  0.0108% (0.03   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LYS+  99  23.50 +/- 0.58   0.000% *  0.0116% (0.03   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    LYS+  99  26.33 +/- 0.21   0.000% *  0.0213% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1078 (2.73, 8.31, 118.54 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 7.29, residual support = 160.6:
          HG2   GLN   30 - HN    GLN   30   2.50 +/- 0.59  97.516% * 99.4000% (1.00   7.29 160.63) =  99.994%  kept
          HB3   ASN   28 - HN    GLN   30   5.26 +/- 0.19   2.429% *  0.2451% (0.90   0.02   6.34) =   0.006%
          QE    LYS+ 121 - HN    LYS+  99  10.97 +/- 1.56   0.034% *  0.0130% (0.05   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    LYS+  99  12.36 +/- 1.33   0.015% *  0.0067% (0.02   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HN    GLN   30  22.88 +/- 1.18   0.000% *  0.1985% (0.73   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    GLN   30  21.24 +/- 0.68   0.000% *  0.1026% (0.38   0.02   0.02) =   0.000%
          HG2   GLN   30 - HN    LYS+  99  16.57 +/- 0.52   0.002% *  0.0179% (0.07   0.02   0.02) =   0.000%
          HB3   ASN   28 - HN    LYS+  99  16.65 +/- 0.81   0.002% *  0.0161% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1079 (1.87, 8.31, 118.54 ppm):
    26 chemical-shift based assignments, quality = 0.687, support = 6.71, residual support = 160.6:
      O   HB3   GLN   30 - HN    GLN   30   2.55 +/- 0.25  97.357% * 96.3364% (0.69   6.71 160.63) =  99.994%  kept
          QB    LYS+  33 - HN    GLN   30   5.22 +/- 0.54   1.796% *  0.3037% (0.73   0.02   0.02) =   0.006%
          HB    ILE  103 - HN    LYS+  99   6.09 +/- 0.26   0.656% *  0.0145% (0.03   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  99   8.65 +/- 0.23   0.077% *  0.0167% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LYS+  99   9.46 +/- 0.64   0.051% *  0.0238% (0.06   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  99   9.62 +/- 0.38   0.041% *  0.0246% (0.06   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    GLN   30  15.48 +/- 0.25   0.002% *  0.3628% (0.87   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   30  15.70 +/- 0.44   0.002% *  0.3628% (0.87   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    GLN   30  18.05 +/- 0.27   0.001% *  0.3751% (0.90   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    GLN   30  18.60 +/- 0.34   0.001% *  0.2201% (0.53   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   30  20.78 +/- 1.54   0.000% *  0.3349% (0.80   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    GLN   30  19.93 +/- 0.43   0.000% *  0.2537% (0.61   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LYS+  99  13.29 +/- 0.52   0.006% *  0.0200% (0.05   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    GLN   30  20.27 +/- 0.49   0.000% *  0.2036% (0.49   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   30  22.73 +/- 0.32   0.000% *  0.4037% (0.97   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LYS+  99  14.13 +/- 0.38   0.004% *  0.0189% (0.05   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   30  23.33 +/- 0.57   0.000% *  0.2201% (0.53   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    GLN   30  25.69 +/- 0.99   0.000% *  0.2368% (0.57   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  99  16.57 +/- 1.98   0.002% *  0.0134% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   30  24.26 +/- 0.37   0.000% *  0.1427% (0.34   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  99  20.83 +/- 0.27   0.000% *  0.0265% (0.06   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  99  20.77 +/- 0.28   0.000% *  0.0238% (0.06   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  99  21.20 +/- 0.66   0.000% *  0.0220% (0.05   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  99  21.87 +/- 0.51   0.000% *  0.0145% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  99  22.16 +/- 0.35   0.000% *  0.0094% (0.02   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  99  27.45 +/- 0.62   0.000% *  0.0156% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 0.806, support = 5.7, residual support = 49.0:
          HG    LEU   31 - HN    GLN   30   4.52 +/- 0.44  59.328% * 86.8864% (0.80   5.91  50.84) =  95.925%  kept
          QD2   LEU   73 - HN    GLN   30   5.77 +/- 0.76  17.686% * 12.3628% (0.92   0.73   5.22) =   4.069%  kept
          QG1   VAL   41 - HN    GLN   30   7.89 +/- 0.26   1.981% *  0.0915% (0.25   0.02   0.02) =   0.003%
          QG1   VAL   41 - HN    LYS+  99   5.41 +/- 0.42  20.204% *  0.0060% (0.02   0.02   0.02) =   0.002%
          QD2   LEU   73 - HN    LYS+  99  10.48 +/- 0.93   0.426% *  0.0223% (0.06   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LYS+  99  12.36 +/- 1.05   0.162% *  0.0193% (0.05   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    GLN   30  19.92 +/- 0.27   0.008% *  0.3662% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    LYS+  99  11.84 +/- 0.65   0.182% *  0.0137% (0.04   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    LYS+  99  16.70 +/- 0.22   0.021% *  0.0241% (0.07   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HN    GLN   30  24.70 +/- 0.59   0.002% *  0.2078% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 2 structures by 0.07 A, kept.
 
    Peak 1081 (1.49, 8.31, 118.54 ppm):
    16 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 5.51:
          QG2   THR   26 - HN    GLN   30   4.06 +/- 0.10  90.619% * 94.2903% (0.73   2.00   5.51) =  99.991%  kept
          HB3   LEU   40 - HN    LYS+  99   6.44 +/- 1.03   8.916% *  0.0619% (0.05   0.02  12.71) =   0.006%
          HB2   LYS+  74 - HN    GLN   30  11.72 +/- 0.33   0.163% *  1.2283% (0.95   0.02   0.02) =   0.002%
          HB3   LEU   40 - HN    GLN   30  15.11 +/- 0.47   0.036% *  0.9429% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    GLN   30  19.05 +/- 0.88   0.009% *  0.8400% (0.65   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    LYS+  99  12.58 +/- 1.34   0.141% *  0.0483% (0.04   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    LYS+  99  15.89 +/- 0.57   0.026% *  0.0619% (0.05   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    GLN   30  23.33 +/- 0.20   0.003% *  0.6320% (0.49   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    LYS+  99  14.88 +/- 0.38   0.038% *  0.0415% (0.03   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    GLN   30  21.22 +/- 0.50   0.005% *  0.2891% (0.22   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    GLN   30  25.16 +/- 1.16   0.002% *  0.7352% (0.57   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    GLN   30  25.03 +/- 1.09   0.002% *  0.6320% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    LYS+  99  17.82 +/- 0.56   0.013% *  0.0807% (0.06   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    LYS+  99  19.12 +/- 0.69   0.009% *  0.0415% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    LYS+  99  20.34 +/- 0.65   0.006% *  0.0552% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    LYS+  99  17.88 +/- 0.71   0.013% *  0.0190% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 0.308, support = 6.38, residual support = 160.6:
      O   HB2   GLN   30 - HN    GLN   30   3.55 +/- 0.05  33.991% * 69.0884% (0.41   6.51 160.63) =  56.249%  kept
          HG3   GLN   30 - HN    GLN   30   3.10 +/- 0.59  65.007% * 28.0977% (0.18   6.22 160.63) =  43.750%  kept
          HB3   GLU- 100 - HN    LYS+  99   6.51 +/- 0.20   0.928% *  0.0116% (0.02   0.02  40.20) =   0.000%
          HB2   GLU-  14 - HN    GLN   30  12.63 +/- 2.41   0.031% *  0.2716% (0.53   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    GLN   30  17.72 +/- 4.73   0.016% *  0.2922% (0.57   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLN   30  16.87 +/- 1.34   0.003% *  0.1761% (0.34   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLN   30  19.88 +/- 0.67   0.001% *  0.4981% (0.97   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLN   30  23.74 +/- 1.01   0.000% *  0.3339% (0.65   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    LYS+  99  14.20 +/- 0.70   0.009% *  0.0139% (0.03   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLN   30  23.62 +/- 1.02   0.000% *  0.2314% (0.45   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLN   30  26.62 +/- 0.78   0.000% *  0.3748% (0.73   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLN   30  24.73 +/- 0.31   0.000% *  0.2314% (0.45   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLN   30  24.51 +/- 0.34   0.000% *  0.2122% (0.41   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    LYS+  99  17.12 +/- 0.58   0.003% *  0.0219% (0.04   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    LYS+  99  16.92 +/- 0.42   0.003% *  0.0139% (0.03   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    LYS+  99  19.79 +/- 0.25   0.001% *  0.0327% (0.06   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    LYS+  99  16.51 +/- 0.56   0.003% *  0.0059% (0.01   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  99  21.78 +/- 1.86   0.001% *  0.0178% (0.03   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  99  22.46 +/- 0.30   0.001% *  0.0152% (0.03   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  99  24.03 +/- 0.63   0.000% *  0.0152% (0.03   0.02   0.02) =   0.000%
          HG2   MET   11 - HN    LYS+  99  27.72 +/- 4.10   0.000% *  0.0192% (0.04   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    LYS+  99  27.60 +/- 0.31   0.000% *  0.0246% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1083 (2.16, 8.31, 118.54 ppm):
    12 chemical-shift based assignments, quality = 0.913, support = 4.9, residual support = 18.4:
          HB3   GLU-  29 - HN    GLN   30   3.41 +/- 0.35  83.973% * 42.5483% (0.90   4.69  18.43) =  80.102%  kept
          HG3   GLU-  29 - HN    GLN   30   4.67 +/- 0.49  15.614% * 56.8384% (0.98   5.74  18.43) =  19.897%  kept
          QB    GLU-  36 - HN    GLN   30   9.58 +/- 0.27   0.176% *  0.1226% (0.61   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   30  12.91 +/- 0.63   0.032% *  0.1064% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   30  15.33 +/- 0.25   0.010% *  0.1226% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LYS+  99  10.07 +/- 0.82   0.158% *  0.0081% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLN   30  20.60 +/- 1.26   0.002% *  0.2004% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LYS+  99  13.27 +/- 0.44   0.025% *  0.0081% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LYS+  99  18.83 +/- 0.49   0.003% *  0.0119% (0.06   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LYS+  99  19.73 +/- 0.56   0.002% *  0.0130% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LYS+  99  21.59 +/- 0.53   0.001% *  0.0132% (0.07   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    LYS+  99  22.14 +/- 0.73   0.001% *  0.0070% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1084 (2.24, 8.29, 121.00 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 5.72, residual support = 88.1:
      O   HB2   GLU-  29 - HN    GLU-  29   2.61 +/- 0.59  99.981% * 98.0356% (0.76   5.72  88.05) = 100.000%  kept
          HB3   ASP-  76 - HN    GLU-  29  15.06 +/- 0.46   0.006% *  0.3892% (0.87   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    GLU-  29  14.59 +/- 0.32   0.007% *  0.1530% (0.34   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLU-  29  18.28 +/- 1.43   0.002% *  0.3592% (0.80   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  29  17.39 +/- 1.91   0.003% *  0.0607% (0.14   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  29  23.12 +/- 0.42   0.000% *  0.4447% (0.99   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  29  25.00 +/- 1.19   0.000% *  0.3892% (0.87   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  29  24.95 +/- 0.66   0.000% *  0.1684% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 4 structures by 0.09 A, kept.
 
    Peak 1085 (2.17, 8.29, 121.00 ppm):
    7 chemical-shift based assignments, quality = 0.894, support = 6.3, residual support = 88.1:
          HG3   GLU-  29 - HN    GLU-  29   2.65 +/- 0.21  66.928% * 62.1914% (0.97   6.45  88.05) =  77.599%  kept
      O   HB3   GLU-  29 - HN    GLU-  29   3.12 +/- 0.56  32.199% * 37.3174% (0.65   5.77  88.05) =  22.401%  kept
          HB2   GLU-  25 - HN    GLU-  29   5.64 +/- 0.40   0.846% *  0.0271% (0.14   0.02   0.18) =   0.000%
          QB    GLU-  36 - HN    GLU-  29  10.62 +/- 0.27   0.017% *  0.0682% (0.34   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLU-  29  12.34 +/- 0.69   0.008% *  0.0556% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  29  17.20 +/- 0.22   0.001% *  0.1734% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  29  20.42 +/- 1.35   0.000% *  0.1670% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1086 (2.03, 7.18, 111.61 ppm):
    12 chemical-shift based assignments, quality = 0.874, support = 3.81, residual support = 160.6:
          HB2   GLN   30 - HE21  GLN   30   3.22 +/- 0.45  64.714% * 45.6626% (0.80   3.91 160.63) =  61.665%  kept
      O   HG3   GLN   30 - HE21  GLN   30   3.61 +/- 0.48  34.866% * 52.6865% (0.99   3.64 160.63) =  38.334%  kept
          QB    GLU-  15 - HE21  GLN   30   9.78 +/- 2.16   0.272% *  0.1420% (0.49   0.02   0.02) =   0.001%
          HB2   GLN   17 - HE21  GLN   30  11.15 +/- 1.67   0.071% *  0.1420% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HE21  GLN   30  10.65 +/- 1.39   0.063% *  0.0900% (0.31   0.02   0.02) =   0.000%
          HB3   PRO   68 - HE21  GLN   30  16.67 +/- 2.36   0.006% *  0.2530% (0.87   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HE21  GLN   30  16.95 +/- 1.45   0.003% *  0.2530% (0.87   0.02   0.02) =   0.000%
          HB2   PRO   93 - HE21  GLN   30  16.95 +/- 1.09   0.004% *  0.0649% (0.22   0.02   0.02) =   0.000%
          HB    ILE  119 - HE21  GLN   30  21.05 +/- 1.01   0.001% *  0.2336% (0.80   0.02   0.02) =   0.000%
          HB    VAL  108 - HE21  GLN   30  21.44 +/- 1.19   0.001% *  0.1652% (0.57   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HE21  GLN   30  23.26 +/- 1.38   0.001% *  0.1420% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HE21  GLN   30  24.36 +/- 0.83   0.000% *  0.1652% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1087 (0.72, 7.18, 111.61 ppm):
    5 chemical-shift based assignments, quality = 0.262, support = 1.78, residual support = 13.9:
          QG2   ILE   19 - HE21  GLN   30   2.87 +/- 0.70  85.795% * 21.5143% (0.18   1.50  13.86) =  63.329%  kept
          QD1   ILE   19 - HE21  GLN   30   3.98 +/- 0.53  14.093% * 75.8366% (0.41   2.25  13.86) =  36.668%  kept
          QD1   LEU   98 - HE21  GLN   30  10.83 +/- 0.84   0.063% *  1.4690% (0.90   0.02   0.02) =   0.003%
          QG2   THR   46 - HE21  GLN   30  10.87 +/- 0.98   0.042% *  0.2527% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  104 - HE21  GLN   30  15.00 +/- 0.78   0.006% *  0.9273% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.61 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 = 0.219, support = 2.14, residual support = 13.9:
          QG2   ILE   19 - HE22  GLN   30   2.74 +/- 0.27  91.175% * 28.9004% (0.18   2.13  13.86) =  81.447%  kept
          QD1   ILE   19 - HE22  GLN   30   4.11 +/- 0.10   8.749% * 68.5993% (0.41   2.16  13.86) =  18.551%  kept
          QD1   LEU   98 - HE22  GLN   30  10.62 +/- 0.58   0.030% *  1.3865% (0.90   0.02   0.02) =   0.001%
          QG2   THR   46 - HE22  GLN   30  10.14 +/- 0.96   0.042% *  0.2385% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  104 - HE22  GLN   30  15.13 +/- 1.01   0.004% *  0.8753% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1089 (3.61, 8.06, 119.69 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 5.91, residual support = 44.7:
      O   HA    LEU   31 - HN    GLN   32   3.61 +/- 0.02  99.993% * 99.9386% (0.97   5.91  44.69) = 100.000%  kept
          HA    THR   77 - HN    GLN   32  17.96 +/- 0.30   0.007% *  0.0614% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1090 (2.40, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.991, support = 4.52, residual support = 43.1:
          QG    GLN   32 - HN    GLN   32   3.13 +/- 0.82  99.951% * 98.9307% (0.99   4.52  43.12) = 100.000%  kept
          QG    GLU-  79 - HN    GLN   32  14.68 +/- 0.91   0.021% *  0.3537% (0.80   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HN    GLN   32  14.73 +/- 1.01   0.019% *  0.0983% (0.22   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    GLN   32  17.45 +/- 0.24   0.006% *  0.1228% (0.28   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    GLN   32  21.37 +/- 0.27   0.002% *  0.3034% (0.69   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    GLN   32  25.14 +/- 0.68   0.001% *  0.1228% (0.28   0.02   0.02) =   0.000%
          HB2   GLN  116 - HN    GLN   32  29.64 +/- 0.32   0.000% *  0.0682% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1091 (2.12, 8.06, 119.69 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 4.35, residual support = 43.1:
      O   QB    GLN   32 - HN    GLN   32   2.24 +/- 0.18  99.990% * 98.6007% (0.90   4.35  43.12) = 100.000%  kept
          HB    VAL   24 - HN    GLN   32  11.09 +/- 0.26   0.008% *  0.4783% (0.95   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   32  14.50 +/- 1.21   0.002% *  0.4956% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    GLN   32  19.90 +/- 0.59   0.000% *  0.3473% (0.69   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    GLN   32  16.03 +/- 0.79   0.001% *  0.0780% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1092 (1.89, 8.06, 119.69 ppm):
    10 chemical-shift based assignments, quality = 0.691, support = 3.11, residual support = 6.78:
          HB3   GLN   30 - HN    GLN   32   5.17 +/- 0.17  33.922% * 74.0442% (0.99   2.56   1.58) =  62.164%  kept
          QB    LYS+  33 - HN    GLN   32   4.60 +/- 0.32  65.816% * 23.2266% (0.20   4.02  15.31) =  37.834%  kept
          HB3   LYS+  38 - HN    GLN   32  12.64 +/- 0.24   0.152% *  0.5240% (0.90   0.02   0.02) =   0.002%
          HG3   MET   11 - HN    GLN   32  18.96 +/- 4.81   0.057% *  0.1301% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    GLN   32  17.43 +/- 0.55   0.022% *  0.1803% (0.31   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    GLN   32  18.09 +/- 0.32   0.018% *  0.1993% (0.34   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    GLN   32  25.29 +/- 0.49   0.002% *  0.5791% (0.99   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    GLN   32  25.00 +/- 0.32   0.003% *  0.4465% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    GLN   32  26.50 +/- 0.36   0.002% *  0.5240% (0.90   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    GLN   32  22.32 +/- 1.44   0.005% *  0.1457% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.42 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   2.69 +/- 0.15  99.937% * 97.3653% (0.98   5.91  44.69) = 100.000%  kept
          HG2   LYS+  38 - HN    GLN   32  10.80 +/- 0.32   0.026% *  0.2038% (0.61   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    GLN   32  12.03 +/- 1.02   0.015% *  0.2174% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    GLN   32  13.59 +/- 0.35   0.006% *  0.3353% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    GLN   32  14.37 +/- 0.81   0.005% *  0.2440% (0.73   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    GLN   32  13.92 +/- 0.37   0.005% *  0.1768% (0.53   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    GLN   32  16.51 +/- 0.63   0.002% *  0.3014% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    GLN   32  19.40 +/- 0.54   0.001% *  0.3243% (0.97   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLN   32  16.37 +/- 0.28   0.002% *  0.0934% (0.28   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    GLN   32  23.73 +/- 1.05   0.000% *  0.2568% (0.76   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    GLN   32  22.39 +/- 0.57   0.000% *  0.1636% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    GLN   32  28.76 +/- 0.37   0.000% *  0.3179% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1094 (1.12, 8.06, 119.69 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 5.91, residual support = 44.7:
          HB3   LEU   31 - HN    GLN   32   3.65 +/- 0.19  99.645% * 98.9105% (0.98   5.91  44.69) =  99.999%  kept
          QG1   VAL   24 - HN    GLN   32   9.75 +/- 0.27   0.294% *  0.1933% (0.57   0.02   0.02) =   0.001%
          QB    ALA   20 - HN    GLN   32  12.92 +/- 0.38   0.053% *  0.1796% (0.53   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    GLN   32  22.86 +/- 0.62   0.002% *  0.3295% (0.97   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    GLN   32  19.11 +/- 0.31   0.005% *  0.0851% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    GLN   32  29.55 +/- 1.19   0.000% *  0.2345% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    GLN   32  25.53 +/- 0.51   0.001% *  0.0676% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1096 (2.40, 7.95, 120.58 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 4.95, residual support = 15.3:
          QG    GLN   32 - HN    LYS+  33   3.74 +/- 0.48  99.967% * 98.8051% (0.84   4.95  15.31) = 100.000%  kept
          QG    GLU-  79 - HN    LYS+  33  16.04 +/- 0.88   0.020% *  0.2513% (0.53   0.02   0.02) =   0.000%
          HB3   PHE   45 - HN    LYS+  33  18.52 +/- 0.20   0.008% *  0.2513% (0.53   0.02   0.02) =   0.000%
          HB    VAL  107 - HN    LYS+  33  21.50 +/- 0.24   0.003% *  0.4410% (0.92   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HN    LYS+  33  24.82 +/- 0.74   0.002% *  0.2513% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1097 (2.11, 7.95, 120.58 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.4, residual support = 15.3:
          QB    GLN   32 - HN    LYS+  33   2.97 +/- 0.13  99.940% * 98.5385% (1.00   4.40  15.31) = 100.000%  kept
          HB    VAL   24 - HN    LYS+  33  13.34 +/- 0.25   0.013% *  0.4437% (0.99   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    LYS+  33  13.70 +/- 1.17   0.012% *  0.3584% (0.80   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HN    LYS+  33  13.01 +/- 2.34   0.032% *  0.0691% (0.15   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    LYS+  33  17.76 +/- 0.68   0.002% *  0.4132% (0.92   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    LYS+  33  26.46 +/- 0.31   0.000% *  0.0886% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    LYS+  33  26.88 +/- 0.95   0.000% *  0.0886% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1098 (1.87, 7.95, 120.58 ppm):
    15 chemical-shift based assignments, quality = 0.965, support = 5.78, residual support = 157.8:
      O   QB    LYS+  33 - HN    LYS+  33   2.22 +/- 0.29  99.200% * 96.9597% (0.97   5.78 157.76) =  99.999%  kept
          HB3   GLN   30 - HN    LYS+  33   5.22 +/- 0.20   0.790% *  0.1304% (0.38   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HN    LYS+  33  11.26 +/- 0.26   0.008% *  0.1967% (0.57   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LYS+  33  17.98 +/- 0.35   0.000% *  0.2902% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LYS+  33  18.64 +/- 0.27   0.000% *  0.3467% (1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    LYS+  33  19.28 +/- 0.51   0.000% *  0.3475% (1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LYS+  33  18.62 +/- 0.46   0.000% *  0.2782% (0.80   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LYS+  33  19.59 +/- 0.41   0.000% *  0.3116% (0.90   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LYS+  33  24.01 +/- 1.41   0.000% *  0.3444% (0.99   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LYS+  33  25.11 +/- 0.29   0.000% *  0.2523% (0.73   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LYS+  33  28.82 +/- 0.81   0.000% *  0.3014% (0.87   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LYS+  33  26.31 +/- 0.43   0.000% *  0.0866% (0.25   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LYS+  33  25.43 +/- 0.75   0.000% *  0.0536% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LYS+  33  25.73 +/- 0.37   0.000% *  0.0470% (0.14   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LYS+  33  28.69 +/- 0.29   0.000% *  0.0536% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1099 (1.56, 7.95, 120.58 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 4.32, residual support = 157.8:
          HG2   LYS+  33 - HN    LYS+  33   3.57 +/- 0.40  99.991% * 98.5799% (0.61   4.32 157.76) = 100.000%  kept
          QG    LYS+  81 - HN    LYS+  33  18.87 +/- 0.41   0.005% *  0.6943% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HN    LYS+  33  20.48 +/- 1.33   0.003% *  0.7258% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1100 (1.36, 7.95, 120.58 ppm):
    16 chemical-shift based assignments, quality = 0.368, support = 5.3, residual support = 148.9:
          HG3   LYS+  33 - HN    LYS+  33   3.43 +/- 1.09  79.899% * 75.3163% (0.38   5.50 157.76) =  94.375%  kept
          HB2   LEU   31 - HN    LYS+  33   4.90 +/- 0.12  19.478% * 18.4010% (0.25   2.02   0.68) =   5.621%  kept
          HB3   LEU   73 - HN    LYS+  33   9.13 +/- 0.25   0.424% *  0.3839% (0.53   0.02   0.02) =   0.003%
          HG    LEU   98 - HN    LYS+  33  12.59 +/- 0.88   0.066% *  0.6330% (0.87   0.02   0.02) =   0.001%
          HB    VAL   42 - HN    LYS+  33  13.08 +/- 0.39   0.052% *  0.3272% (0.45   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+  33  15.37 +/- 0.39   0.020% *  0.6903% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LYS+  33  16.46 +/- 0.57   0.013% *  0.4426% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   80 - HN    LYS+  33  15.42 +/- 0.34   0.019% *  0.2739% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  33  17.16 +/- 1.17   0.010% *  0.4132% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  33  19.72 +/- 0.88   0.004% *  0.5577% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  33  18.50 +/- 0.55   0.006% *  0.3552% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+  33  22.81 +/- 0.62   0.002% *  0.7043% (0.97   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  33  22.39 +/- 1.10   0.002% *  0.5577% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  33  20.63 +/- 0.83   0.003% *  0.3272% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  33  30.63 +/- 0.35   0.000% *  0.4721% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    LYS+  33  29.23 +/- 0.38   0.000% *  0.1444% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1101 (0.08, 7.95, 120.58 ppm):
    3 chemical-shift based assignments, quality = 0.647, support = 0.57, residual support = 0.681:
          QD2   LEU   31 - HN    LYS+  33   5.04 +/- 0.34  98.848% * 90.4950% (0.65   0.57   0.68) =  99.938%  kept
          QG2   VAL   83 - HN    LYS+  33  10.94 +/- 0.41   1.010% *  4.8633% (0.99   0.02   0.02) =   0.055%
          QD1   ILE   89 - HN    LYS+  33  15.19 +/- 0.19   0.142% *  4.6416% (0.95   0.02   0.02) =   0.007%
    Distance limit 4.61 A violated in 7 structures by 0.43 A, kept.
    Not enough total support, support cutoff is 0.75
    Peak unassigned.
 
    Peak 1114 (4.00, 8.36, 120.50 ppm):
    11 chemical-shift based assignments, quality = 0.666, support = 1.68, residual support = 3.93:
          HA    GLN   32 - HN    ASN   35   3.46 +/- 0.10  68.772% * 27.2048% (0.38   1.72   6.86) =  51.827%  kept
          HA    LYS+  33 - HN    ASN   35   4.10 +/- 0.16  25.633% * 67.7997% (0.98   1.64   0.79) =  48.143%  kept
          HB2   SER   37 - HN    ASN   35   5.78 +/- 0.82   5.063% *  0.1303% (0.15   0.02   0.02) =   0.018%
          HA    GLU-  29 - HN    ASN   35   8.12 +/- 0.16   0.421% *  0.8423% (1.00   0.02   0.02) =   0.010%
          HA    VAL   70 - HN    ASN   35  10.45 +/- 0.44   0.093% *  0.6452% (0.76   0.02   0.02) =   0.002%
          HA    VAL   18 - HN    ASN   35  14.47 +/- 0.51   0.013% *  0.8367% (0.99   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ASN   35  19.89 +/- 0.73   0.002% *  0.8147% (0.97   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ASN   35  20.77 +/- 0.46   0.002% *  0.3471% (0.41   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ASN   35  25.82 +/- 0.49   0.000% *  0.6452% (0.76   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ASN   35  25.56 +/- 0.61   0.000% *  0.5461% (0.65   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ASN   35  27.44 +/- 0.36   0.000% *  0.1880% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1115 (4.10, 8.36, 120.50 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 0.0196, residual support = 44.8:
          HA    GLU-  36 - HN    ASN   35   5.20 +/- 0.07  91.269% * 25.2403% (0.97   0.02  45.72) =  98.047%  kept
          HA    ASN   28 - HN    ASN   35   7.72 +/- 0.20   8.681% *  5.1758% (0.20   0.02   0.02) =   1.912%
          HA    LYS+  81 - HN    ASN   35  20.57 +/- 0.39   0.024% * 26.0958% (1.00   0.02   0.02) =   0.027%
          HA    ALA  124 - HN    ASN   35  23.94 +/- 1.10   0.010% * 20.9424% (0.80   0.02   0.02) =   0.009%
          HA    ARG+  54 - HN    ASN   35  27.99 +/- 0.62   0.004% * 17.9653% (0.69   0.02   0.02) =   0.003%
          HA    LEU  115 - HN    ASN   35  23.00 +/- 0.38   0.012% *  4.5804% (0.18   0.02   0.02) =   0.002%
    Distance limit 4.09 A violated in 20 structures by 1.11 A, eliminated.
    Peak unassigned.
 
    Peak 1116 (2.92, 8.36, 120.50 ppm):
    8 chemical-shift based assignments, quality = 0.309, support = 5.56, residual support = 54.2:
      O   HB2   ASN   35 - HN    ASN   35   2.16 +/- 0.28  99.079% * 94.9212% (0.31   5.56  54.18) =  99.989%  kept
          QE    LYS+  33 - HN    ASN   35   6.02 +/- 0.76   0.904% *  1.1044% (1.00   0.02   0.79) =   0.011%
          HB2   ASN   28 - HN    ASN   35  10.00 +/- 0.28   0.014% *  1.0682% (0.97   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   35  15.77 +/- 0.60   0.001% *  0.7160% (0.65   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    ASN   35  13.71 +/- 0.93   0.002% *  0.1938% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   35  20.03 +/- 1.32   0.000% *  0.9601% (0.87   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ASN   35  20.12 +/- 0.46   0.000% *  0.2760% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   35  23.95 +/- 0.36   0.000% *  0.7603% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1117 (1.28, 8.36, 120.50 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 3.29, residual support = 18.6:
          QB    ALA   34 - HN    ASN   35   2.84 +/- 0.10  99.279% * 97.9855% (0.92   3.29  18.58) =  99.998%  kept
          HG3   LYS+  38 - HN    ASN   35   7.09 +/- 0.39   0.446% *  0.3649% (0.57   0.02   0.02) =   0.002%
          QG2   THR   39 - HN    ASN   35   7.66 +/- 0.23   0.269% *  0.1989% (0.31   0.02   0.02) =   0.001%
          QG2   THR   23 - HN    ASN   35  15.64 +/- 0.09   0.004% *  0.6317% (0.98   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ASN   35  19.06 +/- 0.30   0.001% *  0.4925% (0.76   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ASN   35  17.52 +/- 0.42   0.002% *  0.1275% (0.20   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ASN   35  21.76 +/- 0.59   0.000% *  0.1989% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1118 (2.93, 7.61, 111.81 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.29, residual support = 89.5:
      O   HB2   ASN   28 - HD21  ASN   28   2.38 +/- 0.14  99.956% * 97.6634% (0.97   3.29  89.52) = 100.000%  kept
          HB2   ASP-  86 - HD21  ASN   28  10.56 +/- 0.70   0.015% *  0.5674% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD21  ASN   28  11.54 +/- 1.71   0.012% *  0.5512% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD21  ASN   28  10.45 +/- 0.53   0.016% *  0.3728% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD21  ASN   28  17.70 +/- 0.72   0.001% *  0.2307% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD21  ASN   28  24.27 +/- 1.22   0.000% *  0.6146% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 89.5:
      O   HB3   ASN   28 - HD21  ASN   28   2.70 +/- 0.14  99.937% * 98.5752% (0.90   3.24  89.52) = 100.000%  kept
          HG2   GLN   30 - HD21  ASN   28   9.40 +/- 0.48   0.063% *  0.6772% (1.00   0.02   6.34) =   0.000%
          QE    LYS+ 121 - HD21  ASN   28  25.78 +/- 1.51   0.000% *  0.4928% (0.73   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD21  ASN   28  26.20 +/- 0.91   0.000% *  0.2547% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1120 (1.06, 7.61, 111.81 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 2.06, residual support = 13.3:
          QG2   VAL   24 - HD21  ASN   28   2.82 +/- 0.32  99.998% * 97.1994% (0.76   2.06  13.25) = 100.000%  kept
          QG2   VAL  108 - HD21  ASN   28  19.24 +/- 1.27   0.001% *  0.3082% (0.25   0.02   0.02) =   0.000%
          HG    LEU   63 - HD21  ASN   28  24.78 +/- 0.81   0.000% *  1.1086% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD21  ASN   28  21.58 +/- 0.82   0.001% *  0.1907% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD21  ASN   28  31.63 +/- 1.07   0.000% *  1.1930% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1121 (4.49, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.04, residual support = 44.3:
      O   HA    TRP   27 - HN    ASN   28   3.64 +/- 0.01  99.993% * 99.1157% (1.00   5.04  44.25) = 100.000%  kept
          HA    ALA   91 - HN    ASN   28  19.98 +/- 0.77   0.004% *  0.3628% (0.92   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    ASN   28  22.22 +/- 0.39   0.002% *  0.3147% (0.80   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    ASN   28  25.30 +/- 0.42   0.001% *  0.2068% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (3.76, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.08, residual support = 13.3:
          HA    VAL   24 - HN    ASN   28   3.61 +/- 0.19  99.977% * 99.3938% (0.92   5.08  13.25) = 100.000%  kept
          HA    LYS+  38 - HN    ASN   28  15.43 +/- 0.28   0.017% *  0.1744% (0.41   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ASN   28  19.75 +/- 0.38   0.004% *  0.1744% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ASN   28  22.16 +/- 0.82   0.002% *  0.2574% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1124 (3.57, 8.80, 115.33 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 5.3, residual support = 44.3:
          HB2   TRP   27 - HN    ASN   28   2.64 +/- 0.13  99.993% * 99.2342% (0.80   5.30  44.25) = 100.000%  kept
          HA    THR   77 - HN    ASN   28  13.21 +/- 0.34   0.007% *  0.3910% (0.84   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    ASN   28  21.81 +/- 0.42   0.000% *  0.3748% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1125 (2.93, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 6.1, residual support = 89.5:
      O   HB2   ASN   28 - HN    ASN   28   2.33 +/- 0.20  99.939% * 98.7252% (0.97   6.10  89.52) = 100.000%  kept
          QE    LYS+  33 - HN    ASN   28   9.63 +/- 1.47   0.028% *  0.3007% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    ASN   28   9.94 +/- 0.46   0.020% *  0.2034% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ASN   28  10.73 +/- 0.35   0.012% *  0.3095% (0.92   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ASN   28  15.58 +/- 0.61   0.001% *  0.1258% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ASN   28  20.76 +/- 1.13   0.000% *  0.3353% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1126 (2.73, 8.80, 115.33 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 6.08, residual support = 89.5:
      O   HB3   ASN   28 - HN    ASN   28   3.43 +/- 0.32  95.364% * 99.2362% (0.90   6.08  89.52) =  99.982%  kept
          HG2   GLN   30 - HN    ASN   28   5.82 +/- 0.43   4.634% *  0.3630% (1.00   0.02   6.34) =   0.018%
          QE    LYS+ 121 - HN    ASN   28  23.82 +/- 1.20   0.001% *  0.2642% (0.73   0.02   0.02) =   0.000%
          HB3   HIS  122 - HN    ASN   28  23.21 +/- 0.71   0.001% *  0.1366% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1127 (2.19, 8.80, 115.33 ppm):
    6 chemical-shift based assignments, quality = 0.397, support = 2.93, residual support = 23.0:
          HG3   GLU-  29 - HN    ASN   28   4.88 +/- 0.14  73.071% * 46.1672% (0.20   3.74  30.42) =  71.439%  kept
          HB2   GLU-  25 - HN    ASN   28   5.79 +/- 0.12  26.550% * 50.7896% (0.90   0.91   4.36) =  28.556%  kept
          QG    GLN   17 - HN    ASN   28  15.13 +/- 1.57   0.100% *  0.9979% (0.80   0.02   0.02) =   0.002%
          HB2   MET   96 - HN    ASN   28  12.93 +/- 0.38   0.218% *  0.3846% (0.31   0.02   0.02) =   0.002%
          HB    VAL   70 - HN    ASN   28  17.74 +/- 0.36   0.032% *  0.9049% (0.73   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HN    ASN   28  17.91 +/- 0.21   0.030% *  0.7558% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1128 (1.09, 8.80, 115.33 ppm):
    5 chemical-shift based assignments, quality = 0.459, support = 2.85, residual support = 13.3:
          QG2   VAL   24 - HN    ASN   28   3.31 +/- 0.18  91.908% * 55.2293% (0.45   2.93  13.25) =  93.543%  kept
          QG1   VAL   24 - HN    ASN   28   4.98 +/- 0.18   8.087% * 43.3264% (0.61   1.70  13.25) =   6.457%  kept
          QG1   VAL  107 - HN    ASN   28  18.77 +/- 0.35   0.003% *  0.7758% (0.92   0.02   0.02) =   0.000%
          HG    LEU   63 - HN    ASN   28  21.37 +/- 0.76   0.001% *  0.2594% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ASN   28  28.47 +/- 1.09   0.000% *  0.4091% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1129 (0.61, 8.80, 115.33 ppm):
    7 chemical-shift based assignments, quality = 0.619, support = 2.24, residual support = 1.27:
          QD2   LEU   80 - HN    ASN   28   5.10 +/- 0.30  43.929% * 55.0787% (0.45   2.99   1.84) =  63.701%  kept
          QG1   VAL   83 - HN    ASN   28   5.41 +/- 0.47  33.102% * 37.7716% (1.00   0.92   0.30) =  32.917%  kept
          QD1   LEU   73 - HN    ASN   28   5.67 +/- 0.29  22.687% *  5.6567% (0.15   0.89   0.02) =   3.379%  kept
          QG2   ILE   89 - HN    ASN   28  12.38 +/- 0.42   0.205% *  0.4648% (0.57   0.02   0.02) =   0.003%
          QD1   LEU  104 - HN    ASN   28  17.03 +/- 0.71   0.031% *  0.5639% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ASN   28  16.42 +/- 0.53   0.038% *  0.1267% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ASN   28  21.10 +/- 0.55   0.008% *  0.3375% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.86 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 = 3.14, residual support = 24.6:
          HA    VAL   24 - HN    TRP   27   3.16 +/- 0.07  99.984% * 99.0554% (0.99   3.14  24.57) = 100.000%  kept
          HA    LYS+  38 - HN    TRP   27  17.11 +/- 0.30   0.004% *  0.4629% (0.73   0.02   0.02) =   0.000%
          HA    VAL   24 - HN    ALA   91  16.05 +/- 0.82   0.006% *  0.0781% (0.12   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    TRP   27  18.17 +/- 0.33   0.003% *  0.1116% (0.18   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    TRP   27  21.83 +/- 0.75   0.001% *  0.1967% (0.31   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    ALA   91  19.78 +/- 0.53   0.002% *  0.0138% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  38 - HN    ALA   91  25.73 +/- 0.47   0.000% *  0.0572% (0.09   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    ALA   91  26.17 +/- 1.52   0.000% *  0.0243% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1131 (3.56, 7.73, 123.24 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 5.21, residual support = 96.2:
      O   HB2   TRP   27 - HN    TRP   27   2.21 +/- 0.10  99.721% * 99.2974% (0.99   5.21  96.23) = 100.000%  kept
          HD2   PRO   93 - HN    ALA   91   7.23 +/- 0.82   0.148% *  0.0471% (0.12   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   91   7.04 +/- 1.08   0.127% *  0.0250% (0.07   0.02   0.02) =   0.000%
          HA    THR   77 - HN    TRP   27  11.94 +/- 0.26   0.004% *  0.2023% (0.53   0.02   0.02) =   0.000%
          HD2   PRO   93 - HN    TRP   27  20.63 +/- 0.37   0.000% *  0.3811% (0.99   0.02   0.02) =   0.000%
          HB2   TRP   27 - HN    ALA   91  16.27 +/- 0.75   0.001% *  0.0471% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1132 (2.99, 7.73, 123.24 ppm):
    14 chemical-shift based assignments, quality = 0.991, support = 5.48, residual support = 96.2:
      O   HB3   TRP   27 - HN    TRP   27   2.77 +/- 0.16  99.954% * 98.7563% (0.99   5.48  96.23) = 100.000%  kept
          QE    LYS+ 106 - HN    ALA   91  11.99 +/- 1.63   0.025% *  0.0272% (0.07   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    TRP   27  18.65 +/- 0.37   0.001% *  0.3562% (0.98   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    TRP   27  16.70 +/- 0.38   0.002% *  0.1494% (0.41   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    TRP   27  17.88 +/- 0.62   0.001% *  0.1912% (0.53   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    TRP   27  19.47 +/- 1.37   0.001% *  0.2204% (0.61   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    ALA   91  15.49 +/- 0.73   0.004% *  0.0445% (0.12   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    ALA   91  15.71 +/- 0.65   0.003% *  0.0440% (0.12   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    TRP   27  18.29 +/- 0.69   0.001% *  0.1010% (0.28   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    ALA   91  15.02 +/- 1.06   0.005% *  0.0185% (0.05   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    TRP   27  19.63 +/- 0.82   0.001% *  0.0492% (0.14   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    ALA   91  21.78 +/- 0.46   0.000% *  0.0236% (0.07   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    ALA   91  19.20 +/- 0.71   0.001% *  0.0061% (0.02   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    ALA   91  26.85 +/- 0.63   0.000% *  0.0125% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1133 (2.60, 7.73, 123.24 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 0.75, residual support = 1.5:
          HB3   CYS   21 - HN    TRP   27   3.54 +/- 0.32  99.886% * 96.3528% (0.53   0.75   1.50) =  99.999%  kept
          HG2   MET   96 - HN    TRP   27  14.14 +/- 0.49   0.027% *  2.9634% (0.61   0.02   0.02) =   0.001%
          HG2   MET   96 - HN    ALA   91  12.15 +/- 0.65   0.075% *  0.3662% (0.07   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ALA   91  16.24 +/- 0.70   0.013% *  0.3176% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 4.42, residual support = 20.0:
          QG2   THR   26 - HN    TRP   27   2.65 +/- 0.29  99.923% * 97.5758% (0.98   4.42  19.98) = 100.000%  kept
          HB2   LYS+  74 - HN    TRP   27  10.54 +/- 0.50   0.031% *  0.3603% (0.80   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    TRP   27  12.80 +/- 0.45   0.009% *  0.0788% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    TRP   27  20.19 +/- 0.91   0.001% *  0.4489% (1.00   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HN    ALA   91  14.95 +/- 0.74   0.004% *  0.0445% (0.10   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    ALA   91  12.24 +/- 1.10   0.014% *  0.0110% (0.02   0.02   0.02) =   0.000%
          QG2   THR   26 - HN    ALA   91  16.02 +/- 0.68   0.002% *  0.0545% (0.12   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    TRP   27  22.78 +/- 0.50   0.000% *  0.3439% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HN    ALA   91  13.17 +/- 1.26   0.010% *  0.0097% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    TRP   27  18.10 +/- 0.67   0.001% *  0.0890% (0.20   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    TRP   27  19.91 +/- 0.68   0.001% *  0.1251% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    TRP   27  26.65 +/- 1.23   0.000% *  0.4489% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    ALA   91  21.70 +/- 2.02   0.000% *  0.0555% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    TRP   27  25.17 +/- 0.54   0.000% *  0.1251% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HN    TRP   27  25.00 +/- 0.33   0.000% *  0.0890% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    ALA   91  23.57 +/- 0.93   0.000% *  0.0555% (0.12   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    ALA   91  23.60 +/- 0.72   0.000% *  0.0425% (0.09   0.02   0.02) =   0.000%
          HG    LEU  104 - HN    ALA   91  20.18 +/- 0.78   0.001% *  0.0155% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HN    ALA   91  20.62 +/- 0.85   0.001% *  0.0155% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    ALA   91  22.23 +/- 0.55   0.000% *  0.0110% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1136 (0.58, 7.73, 123.24 ppm):
    16 chemical-shift based assignments, quality = 0.777, support = 2.63, residual support = 10.4:
          QD2   LEU   80 - HN    TRP   27   3.85 +/- 0.19  82.819% * 64.0057% (0.76   2.73  10.41) =  94.303%  kept
          QD1   LEU   73 - HN    TRP   27   5.57 +/- 0.28   9.498% * 33.6382% (1.00   1.10  10.76) =   5.684%  kept
          QG1   VAL   83 - HN    TRP   27   6.01 +/- 0.37   6.601% *  0.0948% (0.15   0.02   3.07) =   0.011%
          QG2   VAL   41 - HN    TRP   27   8.68 +/- 0.29   0.652% *  0.0831% (0.14   0.02   0.02) =   0.001%
          QD1   LEU   63 - HN    TRP   27  15.88 +/- 0.58   0.018% *  0.6128% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   91  11.60 +/- 0.73   0.116% *  0.0580% (0.09   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    TRP   27  17.46 +/- 0.62   0.010% *  0.3725% (0.61   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   91  13.97 +/- 0.50   0.038% *  0.0757% (0.12   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  17.77 +/- 0.64   0.009% *  0.3231% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ALA   91  14.58 +/- 0.60   0.029% *  0.0757% (0.12   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    TRP   27  20.37 +/- 0.55   0.004% *  0.4918% (0.80   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   91  14.77 +/- 0.70   0.029% *  0.0608% (0.10   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   91  11.49 +/- 0.75   0.131% *  0.0117% (0.02   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   91  16.10 +/- 0.60   0.017% *  0.0460% (0.07   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  18.20 +/- 0.80   0.008% *  0.0399% (0.07   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ALA   91  15.11 +/- 0.57   0.023% *  0.0103% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 0.946, support = 0.832, residual support = 3.92:
          QG2   VAL   75 - HN    TRP   27   4.66 +/- 0.08  98.960% * 96.9521% (0.95   0.83   3.92) =  99.991%  kept
          QG2   VAL   42 - HN    TRP   27  12.91 +/- 0.87   0.242% *  2.4566% (1.00   0.02   0.02) =   0.006%
          QG2   VAL   75 - HN    ALA   91  10.82 +/- 0.62   0.684% *  0.2878% (0.12   0.02   0.02) =   0.002%
          QG2   VAL   42 - HN    ALA   91  14.51 +/- 0.70   0.114% *  0.3035% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.48 A violated in 2 structures by 0.18 A, kept.
 
    Peak 1139 (0.59, 10.20, 129.00 ppm):
    7 chemical-shift based assignments, quality = 0.673, support = 1.1, residual support = 6.63:
          QG1   VAL   83 - HE1   TRP   27   3.94 +/- 0.64  77.221% * 13.8619% (0.41   0.89   3.07) =  52.091%  kept
          QD2   LEU   80 - HE1   TRP   27   5.86 +/- 0.58  12.435% * 57.4077% (0.99   1.52  10.41) =  34.739%  kept
          QD1   LEU   73 - HE1   TRP   27   5.69 +/- 0.22  10.234% * 26.4381% (0.87   0.80  10.76) =  13.167%  kept
          QD1   LEU  104 - HE1   TRP   27  14.28 +/- 0.61   0.044% *  0.6605% (0.87   0.02   0.02) =   0.001%
          QD1   LEU   63 - HE1   TRP   27  14.47 +/- 0.54   0.037% *  0.6605% (0.87   0.02   0.02) =   0.001%
          QD2   LEU  115 - HE1   TRP   27  18.90 +/- 0.69   0.008% *  0.7597% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HE1   TRP   27  16.06 +/- 0.60   0.021% *  0.2117% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1140 (0.05, 10.20, 129.00 ppm):
    2 chemical-shift based assignments, quality = 0.479, support = 1.53, residual support = 12.0:
          QD2   LEU   31 - HE1   TRP   27   3.81 +/- 0.45  82.465% * 38.9661% (0.31   1.75  13.04) =  75.015%  kept
          QG2   VAL   43 - HE1   TRP   27   5.29 +/- 0.57  17.535% * 61.0339% (0.99   0.85   8.86) =  24.985%  kept
    Distance limit 3.87 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1141 (2.19, 8.12, 116.43 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 5.4, residual support = 27.7:
          HB2   GLU-  25 - HN    THR   26   2.68 +/- 0.20  97.063% * 98.9210% (0.90   5.40  27.70) =  99.998%  kept
          HG3   GLU-  29 - HN    THR   26   4.85 +/- 0.32   2.929% *  0.0809% (0.20   0.02   2.07) =   0.002%
          QG    GLN   17 - HN    THR   26  14.65 +/- 1.60   0.005% *  0.3273% (0.80   0.02   0.02) =   0.000%
          HB2   MET   96 - HN    THR   26  15.80 +/- 0.31   0.002% *  0.1262% (0.31   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    THR   26  19.79 +/- 0.50   0.001% *  0.2968% (0.73   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    THR   26  21.26 +/- 0.27   0.000% *  0.2479% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1142 (2.02, 8.12, 116.43 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 5.26, residual support = 27.7:
          HB3   GLU-  25 - HN    THR   26   3.17 +/- 0.23  98.691% * 95.4999% (0.57   5.26  27.70) =  99.993%  kept
          HG3   GLN   30 - HN    THR   26   7.12 +/- 0.57   0.975% *  0.5358% (0.84   0.02   5.51) =   0.006%
          HB2   GLN   30 - HN    THR   26   8.78 +/- 0.33   0.245% *  0.3375% (0.53   0.02   5.51) =   0.001%
          HB    ILE   19 - HN    THR   26  10.76 +/- 0.36   0.072% *  0.1269% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR   26  15.37 +/- 0.95   0.009% *  0.4902% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR   26  16.71 +/- 0.45   0.005% *  0.4902% (0.76   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    THR   26  22.34 +/- 1.32   0.001% *  0.3891% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    THR   26  24.21 +/- 1.69   0.001% *  0.6401% (1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    THR   26  28.76 +/- 0.53   0.000% *  0.5358% (0.84   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    THR   26  24.87 +/- 1.05   0.000% *  0.1980% (0.31   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    THR   26  27.62 +/- 0.44   0.000% *  0.3375% (0.53   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    THR   26  24.81 +/- 0.60   0.000% *  0.1600% (0.25   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    THR   26  26.13 +/- 1.02   0.000% *  0.1600% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    THR   26  24.93 +/- 0.62   0.000% *  0.0990% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1143 (1.50, 8.12, 116.43 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 4.46, residual support = 28.3:
          QG2   THR   26 - HN    THR   26   3.33 +/- 0.09  99.951% * 98.0841% (0.95   4.46  28.35) = 100.000%  kept
          HB2   LYS+  74 - HN    THR   26  12.17 +/- 0.55   0.044% *  0.4611% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HN    THR   26  21.71 +/- 0.85   0.001% *  0.4172% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    THR   26  20.38 +/- 0.69   0.002% *  0.2086% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   26  24.45 +/- 0.51   0.001% *  0.2086% (0.45   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   26  29.19 +/- 1.21   0.000% *  0.3885% (0.84   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   26  26.34 +/- 0.27   0.000% *  0.1160% (0.25   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   26  27.08 +/- 1.13   0.000% *  0.1160% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1144 (1.32, 8.12, 116.43 ppm):
    10 chemical-shift based assignments, quality = 0.583, support = 0.0193, residual support = 0.0193:
          HB2   LEU   31 - HN    THR   26   8.99 +/- 0.25  40.307% * 11.0578% (0.69   0.02   0.02) =  46.783%  kept
          HB3   LEU   80 - HN    THR   26   8.61 +/- 0.67  51.973% *  8.4695% (0.53   0.02   0.02) =  46.204%  kept
          QG2   THR   77 - HN    THR   26  12.93 +/- 0.33   4.568% *  7.8357% (0.49   0.02   0.02) =   3.757%  kept
          QB    ALA   88 - HN    THR   26  16.73 +/- 0.18   0.962% * 13.9639% (0.87   0.02   0.02) =   1.410%
          HB3   ASP-  44 - HN    THR   26  16.14 +/- 0.66   1.287% *  4.9686% (0.31   0.02   0.02) =   0.671%
          HG2   LYS+  38 - HN    THR   26  19.86 +/- 0.36   0.347% * 16.0623% (1.00   0.02   0.02) =   0.586%
          HG2   LYS+  99 - HN    THR   26  21.75 +/- 0.81   0.209% * 15.5357% (0.97   0.02   0.02) =   0.341%
          HB2   LEU   63 - HN    THR   26  20.86 +/- 0.37   0.259% *  6.6181% (0.41   0.02   0.02) =   0.180%
          HG2   LYS+ 111 - HN    THR   26  28.40 +/- 0.40   0.040% * 12.3026% (0.76   0.02   0.02) =   0.052%
          QB    ALA  124 - HN    THR   26  27.85 +/- 0.91   0.047% *  3.1858% (0.20   0.02   0.02) =   0.016%
    Distance limit 4.56 A violated in 20 structures by 3.16 A, eliminated.
    Peak unassigned.
 
    Peak 1145 (3.76, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.52, residual support = 35.8:
      O   HA    VAL   24 - HN    GLU-  25   3.57 +/- 0.02  99.994% * 99.4421% (0.92   5.52  35.83) = 100.000%  kept
          HA    LYS+  38 - HN    GLU-  25  20.11 +/- 0.30   0.003% *  0.1605% (0.41   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    GLU-  25  21.92 +/- 0.34   0.002% *  0.1605% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    GLU-  25  25.92 +/- 0.76   0.001% *  0.2368% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1146 (2.18, 8.78, 120.28 ppm):
    7 chemical-shift based assignments, quality = 0.607, support = 6.1, residual support = 126.9:
      O   HB2   GLU-  25 - HN    GLU-  25   2.55 +/- 0.46  98.901% * 98.5748% (0.61   6.10 126.95) =  99.998%  kept
          HG3   GLU-  29 - HN    GLU-  25   6.17 +/- 0.46   0.849% *  0.2388% (0.45   0.02   0.18) =   0.002%
          HB3   GLU-  29 - HN    GLU-  25   7.74 +/- 0.79   0.246% *  0.0822% (0.15   0.02   0.18) =   0.000%
          QG    GLN   17 - HN    GLU-  25  17.05 +/- 1.54   0.002% *  0.2593% (0.49   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    GLU-  25  17.74 +/- 1.68   0.002% *  0.1481% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLU-  25  22.55 +/- 0.25   0.000% *  0.4778% (0.90   0.02   0.02) =   0.000%
          HB    VAL   70 - HN    GLU-  25  21.72 +/- 0.39   0.000% *  0.2190% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 126.9:
      O   HB3   GLU-  25 - HN    GLU-  25   2.73 +/- 0.66  99.823% * 96.0034% (0.57   5.95 126.95) =  99.999%  kept
          HG3   GLN   30 - HN    GLU-  25   9.62 +/- 0.63   0.109% *  0.4759% (0.84   0.02   0.02) =   0.001%
          HB2   GLN   30 - HN    GLU-  25  10.97 +/- 0.33   0.047% *  0.2997% (0.53   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    GLU-  25  13.23 +/- 0.25   0.015% *  0.1127% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    GLU-  25  17.79 +/- 0.96   0.003% *  0.4354% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    GLU-  25  19.31 +/- 0.36   0.002% *  0.4354% (0.76   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLU-  25  23.08 +/- 1.25   0.001% *  0.3455% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    GLU-  25  26.60 +/- 1.51   0.000% *  0.5685% (1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  25  24.82 +/- 1.19   0.000% *  0.1758% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLU-  25  29.24 +/- 0.61   0.000% *  0.4759% (0.84   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  25  25.27 +/- 0.63   0.000% *  0.1421% (0.25   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLU-  25  29.02 +/- 0.42   0.000% *  0.2997% (0.53   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  25  27.18 +/- 1.00   0.000% *  0.1421% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    GLU-  25  27.21 +/- 0.55   0.000% *  0.0879% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 2.84, residual support = 5.8:
          QG2   THR   23 - HN    GLU-  25   4.14 +/- 0.07  99.703% * 98.4093% (0.73   2.84   5.80) =  99.999%  kept
          QG2   THR   77 - HN    GLU-  25  12.79 +/- 0.37   0.118% *  0.6937% (0.73   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    GLU-  25  12.47 +/- 0.17   0.135% *  0.3585% (0.38   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    GLU-  25  15.97 +/- 0.25   0.031% *  0.3258% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU-  25  18.27 +/- 0.28   0.014% *  0.2127% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1149 (1.07, 8.78, 120.28 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.69, residual support = 35.8:
          QG2   VAL   24 - HN    GLU-  25   3.42 +/- 0.21  99.997% * 99.2583% (0.97   4.69  35.83) = 100.000%  kept
          HG    LEU   63 - HN    GLU-  25  24.50 +/- 0.72   0.001% *  0.3804% (0.87   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    GLU-  25  21.23 +/- 0.30   0.002% *  0.1646% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HN    GLU-  25  30.17 +/- 0.73   0.000% *  0.1966% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 5.37, residual support = 126.9:
          HG2   GLU-  25 - HN    GLU-  25   3.78 +/- 0.25  99.943% * 99.4410% (0.97   5.37 126.95) = 100.000%  kept
          HB3   TRP   87 - HN    GLU-  25  13.58 +/- 0.43   0.052% *  0.1185% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   95 - HN    GLU-  25  20.86 +/- 0.32   0.004% *  0.1869% (0.49   0.02   0.02) =   0.000%
          HG2   GLN  116 - HN    GLU-  25  31.18 +/- 0.54   0.000% *  0.1579% (0.41   0.02   0.02) =   0.000%
          HG3   GLN  116 - HN    GLU-  25  32.58 +/- 0.48   0.000% *  0.0957% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1151 (3.76, 9.21, 123.27 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 4.35, residual support = 65.6:
      O   HA    VAL   24 - HN    VAL   24   2.80 +/- 0.02  99.999% * 99.2926% (0.92   4.35  65.56) = 100.000%  kept
          HA    LYS+  38 - HN    VAL   24  20.98 +/- 0.31   0.001% *  0.2035% (0.41   0.02   0.02) =   0.000%
          HA    ALA   61 - HN    VAL   24  21.21 +/- 0.38   0.001% *  0.2035% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   68 - HN    VAL   24  26.00 +/- 0.84   0.000% *  0.3003% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1152 (2.12, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 4.69, residual support = 65.6:
      O   HB    VAL   24 - HN    VAL   24   2.43 +/- 0.22  99.467% * 98.7887% (0.95   4.69  65.56) = 100.000%  kept
          HB3   GLU-  79 - HN    VAL   24   6.28 +/- 0.82   0.524% *  0.0688% (0.15   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    VAL   24  11.68 +/- 0.38   0.009% *  0.3997% (0.90   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    VAL   24  23.70 +/- 0.96   0.000% *  0.4368% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    VAL   24  26.63 +/- 1.12   0.000% *  0.3061% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1153 (1.29, 9.21, 123.27 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.44, residual support = 23.9:
          QG2   THR   23 - HN    VAL   24   3.45 +/- 0.14  99.832% * 99.1634% (0.73   5.44  23.92) =  99.999%  kept
          QG2   THR   77 - HN    VAL   24  10.88 +/- 0.41   0.107% *  0.3648% (0.73   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    VAL   24  13.06 +/- 0.19   0.035% *  0.1886% (0.38   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    VAL   24  14.50 +/- 0.25   0.019% *  0.1714% (0.34   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    VAL   24  16.84 +/- 0.34   0.008% *  0.1119% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1154 (1.10, 9.21, 123.27 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 4.09, residual support = 65.6:
          QG1   VAL   24 - HN    VAL   24   2.14 +/- 0.29  94.953% * 98.7036% (0.90   4.09  65.56) =  99.994%  kept
          QG2   VAL   24 - HN    VAL   24   3.66 +/- 0.04   5.043% *  0.1064% (0.20   0.02  65.56) =   0.006%
          HB3   LEU   31 - HN    VAL   24  11.90 +/- 0.26   0.004% *  0.1197% (0.22   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    VAL   24  20.08 +/- 0.34   0.000% *  0.5331% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    VAL   24  29.05 +/- 0.98   0.000% *  0.4307% (0.80   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    VAL   24  25.24 +/- 0.59   0.000% *  0.1064% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1155 (0.58, 9.21, 123.27 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 3.12, residual support = 10.6:
          QD2   LEU   80 - HN    VAL   24   2.74 +/- 0.36  95.022% * 96.5878% (0.76   3.13  10.62) =  99.993%  kept
          QG1   VAL   83 - HN    VAL   24   4.70 +/- 0.24   4.865% *  0.1248% (0.15   0.02   2.21) =   0.007%
          QD1   LEU   73 - HN    VAL   24   9.06 +/- 0.22   0.092% *  0.8071% (1.00   0.02   0.02) =   0.001%
          QG2   VAL   41 - HN    VAL   24  11.90 +/- 0.32   0.018% *  0.1095% (0.14   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    VAL   24  18.27 +/- 0.46   0.001% *  0.8071% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    VAL   24  20.08 +/- 0.56   0.001% *  0.4906% (0.61   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    VAL   24  20.50 +/- 0.69   0.001% *  0.4256% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    VAL   24  22.22 +/- 0.51   0.000% *  0.6477% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1156 (3.49, 7.33, 104.59 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 5.08, residual support = 23.9:
          HB2   HIS   22 - HN    THR   23   4.30 +/- 0.29  99.987% * 99.6159% (0.99   5.08  23.89) = 100.000%  kept
          HA    LEU   63 - HN    THR   23  21.47 +/- 0.37   0.007% *  0.3305% (0.84   0.02   0.02) =   0.000%
          HA2   GLY  101 - HN    THR   23  21.82 +/- 1.68   0.007% *  0.0536% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.51 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 = 5.7, residual support = 23.9:
          HB3   HIS   22 - HN    THR   23   3.71 +/- 0.23  99.992% * 99.7211% (0.76   5.70  23.89) = 100.000%  kept
          HB2   PHE   95 - HN    THR   23  18.97 +/- 0.20   0.006% *  0.0906% (0.20   0.02   0.02) =   0.000%
          HD3   ARG+  54 - HN    THR   23  23.00 +/- 1.20   0.002% *  0.1883% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 1.97, residual support = 4.56:
          HB3   CYS   21 - HN    THR   23   3.31 +/- 0.50 100.000% *100.0000% (1.00   1.97   4.56) = 100.000%  kept
    Distance limit 4.46 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 = 2.1, residual support = 14.1:
          QG2   THR   26 - HN    THR   23   3.14 +/- 0.24  99.824% * 94.9218% (0.73   2.10  14.08) =  99.998%  kept
          HB2   LYS+  74 - HN    THR   23   9.52 +/- 0.78   0.171% *  1.1770% (0.95   0.02   0.02) =   0.002%
          HG2   LYS+  65 - HN    THR   23  20.01 +/- 0.92   0.002% *  0.8049% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    THR   23  20.49 +/- 0.66   0.001% *  0.9035% (0.73   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    THR   23  24.60 +/- 1.06   0.000% *  0.6056% (0.49   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    THR   23  24.98 +/- 0.21   0.000% *  0.6056% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  66 - HN    THR   23  23.17 +/- 0.54   0.001% *  0.2770% (0.22   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HN    THR   23  28.08 +/- 1.11   0.000% *  0.7044% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 19.3:
          QG2   THR   23 - HN    THR   23   3.58 +/- 0.09  99.739% * 97.7237% (0.41   4.80  19.32) =  99.998%  kept
          QG2   THR   77 - HN    THR   23  10.31 +/- 0.32   0.178% *  0.9562% (0.97   0.02   0.02) =   0.002%
          QB    ALA   34 - HN    THR   23  12.19 +/- 0.15   0.064% *  0.1529% (0.15   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    THR   23  15.58 +/- 0.24   0.015% *  0.6409% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    THR   23  21.82 +/- 0.37   0.002% *  0.3058% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    THR   23  22.36 +/- 0.74   0.002% *  0.2206% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1161 (0.57, 7.33, 104.59 ppm):
    8 chemical-shift based assignments, quality = 0.275, support = 2.52, residual support = 11.0:
          QD2   LEU   80 - HN    THR   23   3.19 +/- 0.23  72.843% * 43.0384% (0.20   2.94  10.99) =  69.332%  kept
          QD1   LEU   80 - HN    THR   23   3.93 +/- 0.64  26.669% * 51.9821% (0.45   1.57  10.99) =  30.659%  kept
          QD1   LEU   73 - HN    THR   23   7.62 +/- 0.22   0.413% *  0.7779% (0.53   0.02   0.02) =   0.007%
          QG2   VAL   41 - HN    THR   23  10.83 +/- 0.20   0.049% *  0.9565% (0.65   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    THR   23  12.87 +/- 0.63   0.019% *  0.6629% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    THR   23  18.09 +/- 0.59   0.002% *  1.4752% (1.00   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    THR   23  16.36 +/- 0.50   0.004% *  0.7779% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    THR   23  20.31 +/- 0.43   0.001% *  0.3292% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 33.0:
      O   HB3   HIS   22 - HN    HIS   22   2.73 +/- 0.34  99.999% * 99.5715% (0.98   3.44  33.00) = 100.000%  kept
          HD3   ARG+  54 - HN    HIS   22  22.18 +/- 1.33   0.001% *  0.4285% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1163 (1.62, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.262, support = 6.49, residual support = 161.7:
          HG3   ARG+  54 - HN    ARG+  54   3.51 +/- 0.44  70.442% * 94.9925% (0.26   6.51 162.20) =  99.674%  kept
          QB    ALA   57 - HN    ARG+  54   4.21 +/- 0.27  26.672% *  0.8024% (0.72   0.02   0.02) =   0.319%
          QB    ALA   57 - HN    ASP-  62   6.19 +/- 0.10   2.574% *  0.1501% (0.14   0.02   0.02) =   0.006%
          HD2   LYS+  74 - HN    ARG+  54  11.15 +/- 0.54   0.077% *  0.4707% (0.42   0.02   0.02) =   0.001%
          HD3   LYS+ 111 - HN    ARG+  54  14.09 +/- 0.89   0.022% *  0.8407% (0.76   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HN    ASP-  62  10.50 +/- 1.08   0.135% *  0.0881% (0.08   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ASP-  62  12.63 +/- 0.94   0.039% *  0.1926% (0.17   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HN    ASP-  62  13.50 +/- 1.01   0.027% *  0.0546% (0.05   0.02   0.02) =   0.000%
          HB3   LEU  123 - HN    ARG+  54  22.61 +/- 0.95   0.001% *  1.0292% (0.93   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ASP-  62  18.10 +/- 1.40   0.005% *  0.1926% (0.17   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HN    ASP-  62  17.58 +/- 0.78   0.005% *  0.1573% (0.14   0.02   0.02) =   0.000%
          QD    LYS+  33 - HN    ARG+  54  24.46 +/- 0.87   0.001% *  1.0292% (0.93   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1165 (3.08, 7.93, 121.01 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.4, residual support = 28.2:
      O   HB2   CYS   21 - HN    CYS   21   2.59 +/- 0.20  99.953% * 99.3999% (0.90   3.40  28.20) = 100.000%  kept
          HB2   PHE   45 - HN    CYS   21  10.42 +/- 0.24   0.026% *  0.1142% (0.18   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    ILE  119  11.47 +/- 0.80   0.018% *  0.0636% (0.10   0.02   0.02) =   0.000%
          HB2   PHE   45 - HN    ILE  119  15.10 +/- 0.35   0.003% *  0.0361% (0.06   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HN    CYS   21  21.24 +/- 0.56   0.000% *  0.2013% (0.31   0.02   0.02) =   0.000%
          HB2   CYS   21 - HN    ILE  119  21.08 +/- 0.35   0.000% *  0.1848% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 3.31, residual support = 28.2:
      O   HB3   CYS   21 - HN    CYS   21   3.51 +/- 0.24  99.949% * 98.9038% (0.53   3.31  28.20) = 100.000%  kept
          HG2   MET   96 - HN    CYS   21  13.97 +/- 0.29   0.027% *  0.6894% (0.61   0.02   0.02) =   0.000%
          HG2   MET   96 - HN    ILE  119  14.37 +/- 0.24   0.022% *  0.2178% (0.19   0.02   0.02) =   0.000%
          HB3   CYS   21 - HN    ILE  119  22.20 +/- 0.41   0.002% *  0.1890% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1167 (1.84, 7.93, 121.01 ppm):
    26 chemical-shift based assignments, quality = 0.282, support = 0.0189, residual support = 0.234:
          HG    LEU  123 - HN    ILE  119   6.40 +/- 0.64  55.987% *  3.5886% (0.32   0.02   0.32) =  71.840%  kept
          HB3   ASP- 105 - HN    ILE  119   7.23 +/- 0.28  26.374% *  1.1101% (0.10   0.02   0.02) =  10.468%  kept
          QB    LYS+  66 - HN    ILE  119   8.51 +/- 0.48  10.949% *  2.1815% (0.19   0.02   0.02) =   8.540%  kept
          HB    VAL   41 - HN    CYS   21  12.31 +/- 0.43   1.102% *  9.1141% (0.80   0.02   0.02) =   3.592%  kept
          QB    LYS+  33 - HN    CYS   21  11.67 +/- 0.36   1.482% *  2.5341% (0.22   0.02   0.02) =   1.343%
          HG12  ILE  103 - HN    CYS   21  17.65 +/- 0.38   0.125% * 10.5070% (0.92   0.02   0.02) =   0.469%
          QB    LYS+  66 - HN    CYS   21  16.69 +/- 0.47   0.178% *  6.9036% (0.61   0.02   0.02) =   0.439%
          HB3   PRO   52 - HN    CYS   21  18.23 +/- 0.44   0.105% * 11.3569% (1.00   0.02   0.02) =   0.426%
          HG2   PRO   93 - HN    ILE  119  12.80 +/- 0.41   0.880% *  1.2268% (0.11   0.02   0.02) =   0.386%
          HG12  ILE  103 - HN    ILE  119  15.26 +/- 0.69   0.308% *  3.3201% (0.29   0.02   0.02) =   0.365%
          HG2   PRO   93 - HN    CYS   21  15.79 +/- 0.59   0.255% *  3.8825% (0.34   0.02   0.02) =   0.354%
          HB3   PRO   52 - HN    ILE  119  16.26 +/- 0.67   0.211% *  3.5886% (0.32   0.02   0.02) =   0.271%
          HG3   PRO   68 - HN    ILE  119  14.94 +/- 2.01   0.452% *  1.4786% (0.13   0.02   0.02) =   0.239%
          HG2   ARG+  54 - HN    CYS   21  17.30 +/- 1.22   0.157% *  3.8825% (0.34   0.02   0.02) =   0.218%
          HB    VAL   41 - HN    ILE  119  16.35 +/- 0.57   0.202% *  2.8799% (0.25   0.02   0.02) =   0.208%
          HB    ILE  103 - HN    ILE  119  15.30 +/- 0.46   0.295% *  1.3499% (0.12   0.02   0.02) =   0.142%
          HB3   GLN   90 - HN    CYS   21  16.74 +/- 1.44   0.190% *  1.9934% (0.18   0.02   0.02) =   0.135%
          HB3   ASP- 105 - HN    CYS   21  18.84 +/- 0.50   0.084% *  3.5131% (0.31   0.02   0.02) =   0.106%
          HG3   PRO   68 - HN    CYS   21  20.07 +/- 0.70   0.060% *  4.6793% (0.41   0.02   0.02) =   0.100%
          HG    LEU  123 - HN    CYS   21  23.37 +/- 0.46   0.023% * 11.3569% (1.00   0.02   0.02) =   0.093%
          HB    ILE  103 - HN    CYS   21  20.06 +/- 0.30   0.058% *  4.2718% (0.38   0.02   0.02) =   0.088%
          HG2   ARG+  54 - HN    ILE  119  17.74 +/- 1.09   0.136% *  1.2268% (0.11   0.02   0.02) =   0.060%
          QB    LYS+ 102 - HN    ILE  119  15.68 +/- 0.38   0.253% *  0.6299% (0.06   0.02   0.02) =   0.057%
          QB    LYS+ 102 - HN    CYS   21  20.20 +/- 0.46   0.056% *  1.9934% (0.18   0.02   0.02) =   0.040%
          QB    LYS+  33 - HN    ILE  119  21.43 +/- 0.45   0.039% *  0.8007% (0.07   0.02   0.02) =   0.011%
          HB3   GLN   90 - HN    ILE  119  21.53 +/- 1.00   0.040% *  0.6299% (0.06   0.02   0.02) =   0.009%
    Distance limit 3.61 A violated in 20 structures by 2.19 A, eliminated.
    Peak unassigned.
 
    Peak 1168 (1.13, 7.93, 121.01 ppm):
    14 chemical-shift based assignments, quality = 0.581, support = 5.28, residual support = 119.6:
          QB    ALA   20 - HN    CYS   21   3.53 +/- 0.02  44.366% * 58.0362% (0.80   3.89  15.59) =  55.199%  kept
          HG13  ILE  119 - HN    ILE  119   3.43 +/- 0.35  51.767% * 40.3663% (0.31   6.99 247.74) =  44.798%  kept
          QG2   VAL  107 - HN    ILE  119   5.71 +/- 0.26   2.559% *  0.0262% (0.07   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    ILE  119   6.97 +/- 0.31   0.752% *  0.0484% (0.13   0.02   1.94) =   0.001%
          QG1   VAL   24 - HN    CYS   21   8.98 +/- 0.50   0.172% *  0.1151% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    ILE  119   8.31 +/- 1.23   0.347% *  0.0484% (0.13   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    CYS   21  12.58 +/- 0.30   0.022% *  0.3598% (0.97   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  17.93 +/- 0.57   0.003% *  0.3655% (0.98   0.02   0.02) =   0.000%
          QG2   VAL  107 - HN    CYS   21  14.81 +/- 0.16   0.008% *  0.0830% (0.22   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  18.13 +/- 0.38   0.002% *  0.0943% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  21.82 +/- 0.98   0.001% *  0.1533% (0.41   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  22.27 +/- 0.35   0.001% *  0.1137% (0.30   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  24.58 +/- 0.58   0.000% *  0.1533% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  22.45 +/- 0.97   0.001% *  0.0364% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1169 (0.76, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.368, support = 0.907, residual support = 0.615:
          QD1   ILE   19 - HN    CYS   21   4.80 +/- 0.13  56.283% * 22.6830% (0.22   0.88   0.59) =  55.541%  kept
          QD2   LEU   73 - HN    CYS   21   6.06 +/- 0.42  15.392% * 64.3205% (0.57   0.98   0.67) =  43.072%  kept
          QG2   THR   46 - HN    CYS   21   6.12 +/- 0.39  13.945% *  1.2241% (0.53   0.02   0.02) =   0.743%
          QG2   VAL   18 - HN    CYS   21   7.33 +/- 0.50   4.819% *  1.5051% (0.65   0.02   0.02) =   0.316%
          QG1   VAL   43 - HN    CYS   21   8.55 +/- 0.57   1.969% *  2.0181% (0.87   0.02   0.02) =   0.173%
          QD1   ILE   56 - HN    ILE  119   7.01 +/- 0.29   5.875% *  0.2269% (0.10   0.02   0.02) =   0.058%
          HG    LEU   31 - HN    CYS   21  10.09 +/- 0.24   0.652% *  1.6894% (0.73   0.02   0.02) =   0.048%
          QG1   VAL   41 - HN    CYS   21  11.32 +/- 0.33   0.330% *  2.2805% (0.98   0.02   0.02) =   0.033%
          QG2   VAL   18 - HN    ILE  119  11.88 +/- 0.38   0.247% *  0.4756% (0.20   0.02   0.02) =   0.005%
          QG1   VAL   43 - HN    ILE  119  12.48 +/- 0.34   0.182% *  0.6377% (0.27   0.02   0.02) =   0.005%
          QG1   VAL   41 - HN    ILE  119  14.37 +/- 0.31   0.078% *  0.7206% (0.31   0.02   0.02) =   0.002%
          QD1   ILE   56 - HN    CYS   21  14.81 +/- 0.27   0.065% *  0.7181% (0.31   0.02   0.02) =   0.002%
          QD2   LEU   73 - HN    ILE  119  14.39 +/- 0.89   0.083% *  0.4162% (0.18   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ILE  119  15.24 +/- 0.56   0.056% *  0.3868% (0.17   0.02   0.02) =   0.001%
          HG    LEU   31 - HN    ILE  119  21.70 +/- 0.94   0.007% *  0.5338% (0.23   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    ILE  119  18.66 +/- 0.23   0.016% *  0.1637% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.44 A violated in 1 structures by 0.16 A, kept.
 
    Peak 1170 (0.57, 7.93, 121.01 ppm):
    16 chemical-shift based assignments, quality = 0.135, support = 3.92, residual support = 9.85:
          QD2   LEU  115 - HN    ILE  119   3.24 +/- 0.44  72.456% * 13.0389% (0.07   4.38  11.86) =  81.924%  kept
          QD1   LEU   73 - HN    CYS   21   6.05 +/- 0.22   1.990% * 58.5579% (0.53   2.63   0.67) =  10.105%  kept
          QD1   LEU   80 - HN    CYS   21   6.53 +/- 1.04   2.332% * 20.4440% (0.45   1.08   1.69) =   4.134%  kept
          QD1   LEU   63 - HN    ILE  119   4.76 +/- 0.68   8.993% *  4.5153% (0.17   0.64   0.02) =   3.521%  kept
          QD2   LEU   63 - HN    ILE  119   4.50 +/- 0.62  11.525% *  0.2667% (0.32   0.02   0.02) =   0.267%
          QD2   LEU   80 - HN    CYS   21   5.90 +/- 0.38   2.334% *  0.1674% (0.20   0.02   1.69) =   0.034%
          QG2   VAL   41 - HN    CYS   21   8.84 +/- 0.29   0.212% *  0.5472% (0.65   0.02   0.02) =   0.010%
          QD2   LEU   98 - HN    CYS   21  11.13 +/- 0.67   0.056% *  0.3792% (0.45   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    CYS   21  12.29 +/- 0.51   0.031% *  0.4450% (0.53   0.02   0.02) =   0.001%
          QD2   LEU   63 - HN    CYS   21  13.98 +/- 0.62   0.016% *  0.8440% (1.00   0.02   0.02) =   0.001%
          QD2   LEU   98 - HN    ILE  119  12.36 +/- 0.69   0.027% *  0.1198% (0.14   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ILE  119  13.93 +/- 0.36   0.013% *  0.1729% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    CYS   21  16.19 +/- 0.44   0.005% *  0.1883% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ILE  119  15.81 +/- 0.34   0.006% *  0.1406% (0.17   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ILE  119  20.52 +/- 1.43   0.001% *  0.1198% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE  119  19.89 +/- 0.68   0.002% *  0.0529% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1172 (8.16, 7.92, 121.27 ppm):
    10 chemical-shift based assignments, quality = 0.286, support = 5.59, residual support = 37.7:
          HN    THR  118 - HN    ILE  119   2.58 +/- 0.08  96.656% * 47.2644% (0.28   5.67  38.45) =  96.617%  kept
          HN    GLN  116 - HN    ILE  119   4.57 +/- 0.07   3.136% * 50.9833% (0.53   3.23  14.91) =   3.381%  kept
          HN    GLU- 114 - HN    ILE  119   7.66 +/- 0.15   0.145% *  0.5673% (0.95   0.02   0.02) =   0.002%
          HN    PHE   60 - HN    ILE  119   9.21 +/- 0.38   0.050% *  0.0812% (0.14   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    ILE  119  15.63 +/- 0.49   0.002% *  0.5673% (0.95   0.02   0.02) =   0.000%
          HN    LEU   71 - HN    CYS   21  13.56 +/- 0.37   0.005% *  0.1793% (0.30   0.02   0.02) =   0.000%
          HN    PHE   60 - HN    CYS   21  13.15 +/- 0.27   0.006% *  0.0256% (0.04   0.02   0.02) =   0.000%
          HN    GLU- 114 - HN    CYS   21  22.76 +/- 0.33   0.000% *  0.1793% (0.30   0.02   0.02) =   0.000%
          HN    GLN  116 - HN    CYS   21  21.81 +/- 0.34   0.000% *  0.0997% (0.17   0.02   0.02) =   0.000%
          HN    THR  118 - HN    CYS   21  21.56 +/- 0.30   0.000% *  0.0527% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1173 (7.23, 7.92, 121.27 ppm):
    8 chemical-shift based assignments, quality = 0.369, support = 2.6, residual support = 13.1:
          QE    PHE   59 - HN    ILE  119   3.72 +/- 0.33  84.651% * 41.4542% (0.22   3.00  13.60) =  81.127%  kept
          HN    HIS  122 - HN    ILE  119   5.07 +/- 0.12  14.699% * 55.5123% (1.00   0.90  10.82) =  18.864%  kept
          HN    PHE   59 - HN    ILE  119   8.72 +/- 0.47   0.534% *  0.7028% (0.57   0.02  13.60) =   0.009%
          HH2   TRP   87 - HN    CYS   21  14.01 +/- 0.46   0.032% *  0.3914% (0.32   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE  119  18.21 +/- 0.59   0.007% *  1.2386% (1.00   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    CYS   21  12.83 +/- 0.61   0.059% *  0.0873% (0.07   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    CYS   21  15.80 +/- 0.30   0.016% *  0.2221% (0.18   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    CYS   21  21.37 +/- 0.36   0.003% *  0.3914% (0.32   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1174 (8.71, 7.93, 121.01 ppm):
    2 chemical-shift based assignments, quality = 0.946, support = 3.08, residual support = 15.6:
          HN    ALA   20 - HN    CYS   21   4.24 +/- 0.05  99.994% * 99.7950% (0.95   3.08  15.59) = 100.000%  kept
          HN    ALA   20 - HN    ILE  119  21.22 +/- 0.29   0.006% *  0.2050% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1175 (7.42, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.85, residual support = 48.6:
        T HN    ALA  120 - HN    ILE  119   2.74 +/- 0.06  98.279% * 98.9373% (1.00   5.85  48.62) =  99.995%  kept
          HE21  GLN  116 - HN    ILE  119   5.62 +/- 0.59   1.641% *  0.2706% (0.80   0.02  14.91) =   0.005%
          HN    ALA   57 - HN    ILE  119  12.07 +/- 0.65   0.015% *  0.2454% (0.73   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    ILE  119  10.69 +/- 0.25   0.028% *  0.0843% (0.25   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    CYS   21  11.53 +/- 1.72   0.029% *  0.0187% (0.06   0.02   0.02) =   0.000%
          HN    ALA   57 - HN    CYS   21  15.35 +/- 0.33   0.003% *  0.0775% (0.23   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    CYS   21  17.53 +/- 2.07   0.002% *  0.0211% (0.06   0.02   0.02) =   0.000%
          HE21  GLN   90 - HN    ILE  119  21.86 +/- 2.57   0.001% *  0.0669% (0.20   0.02   0.02) =   0.000%
        T HN    ALA  120 - HN    CYS   21  22.65 +/- 0.33   0.000% *  0.1068% (0.32   0.02   0.02) =   0.000%
          HE21  GLN   17 - HN    ILE  119  20.96 +/- 1.38   0.001% *  0.0592% (0.18   0.02   0.02) =   0.000%
          HE21  GLN  116 - HN    CYS   21  23.21 +/- 1.22   0.000% *  0.0855% (0.25   0.02   0.02) =   0.000%
          HN    ALA  124 - HN    CYS   21  25.66 +/- 0.70   0.000% *  0.0266% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1176 (3.87, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 5.3, residual support = 38.5:
          HB    THR  118 - HN    ILE  119   3.03 +/- 0.17  99.955% * 98.0473% (0.98   5.30  38.45) = 100.000%  kept
          QB    SER   13 - HN    CYS   21  14.40 +/- 1.83   0.012% *  0.0866% (0.23   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ILE  119  17.47 +/- 0.47   0.003% *  0.3386% (0.90   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    CYS   21  14.81 +/- 0.50   0.008% *  0.1070% (0.28   0.02   0.02) =   0.000%
          HB    THR   39 - HN    ILE  119  18.69 +/- 0.51   0.002% *  0.2885% (0.76   0.02   0.02) =   0.000%
          HB    THR   39 - HN    CYS   21  15.89 +/- 0.47   0.005% *  0.0912% (0.24   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    CYS   21  14.61 +/- 0.69   0.009% *  0.0490% (0.13   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    CYS   21  16.55 +/- 0.31   0.004% *  0.1070% (0.28   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    ILE  119  21.57 +/- 0.57   0.001% *  0.3386% (0.90   0.02   0.02) =   0.000%
          HB    THR  118 - HN    CYS   21  19.74 +/- 0.34   0.001% *  0.1169% (0.31   0.02   0.02) =   0.000%
          QB    SER   13 - HN    ILE  119  23.96 +/- 0.92   0.000% *  0.2741% (0.73   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    ILE  119  27.50 +/- 0.42   0.000% *  0.1552% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 7.8, residual support = 247.7:
          HG12  ILE  119 - HN    ILE  119   2.37 +/- 0.16  99.581% * 97.7177% (0.90   7.80 247.74) = 100.000%  kept
          HB2   ASP-  44 - HN    CYS   21   7.65 +/- 0.47   0.105% *  0.0792% (0.28   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    ILE  119   6.75 +/- 0.28   0.209% *  0.0378% (0.14   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    CYS   21   8.91 +/- 0.57   0.041% *  0.0852% (0.30   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    CYS   21  11.21 +/- 2.04   0.021% *  0.0815% (0.29   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    ILE  119  12.97 +/- 0.55   0.004% *  0.2506% (0.90   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    CYS   21   9.97 +/- 0.67   0.021% *  0.0465% (0.17   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    ILE  119  13.62 +/- 0.61   0.003% *  0.2697% (0.97   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    CYS   21  12.40 +/- 1.05   0.006% *  0.0707% (0.25   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    CYS   21  14.02 +/- 1.87   0.004% *  0.0875% (0.31   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    ILE  119  18.48 +/- 1.39   0.001% *  0.2770% (0.99   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    ILE  119  19.17 +/- 0.99   0.000% *  0.2238% (0.80   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    ILE  119  17.81 +/- 0.79   0.001% *  0.1149% (0.41   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    ILE  119  21.94 +/- 1.48   0.000% *  0.2580% (0.92   0.02   0.02) =   0.000%
          QB    MET   11 - HN    CYS   21  18.45 +/- 3.08   0.001% *  0.0301% (0.11   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    CYS   21  18.72 +/- 0.65   0.000% *  0.0792% (0.28   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    CYS   21  17.76 +/- 1.45   0.001% *  0.0363% (0.13   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    ILE  119  26.70 +/- 0.50   0.000% *  0.1470% (0.53   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    CYS   21  19.67 +/- 0.33   0.000% *  0.0120% (0.04   0.02   0.02) =   0.000%
          QB    MET   11 - HN    ILE  119  28.82 +/- 1.43   0.000% *  0.0953% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1179 (2.04, 7.92, 121.27 ppm):
    24 chemical-shift based assignments, quality = 0.923, support = 7.52, residual support = 247.7:
      O   HB    ILE  119 - HN    ILE  119   2.30 +/- 0.11  99.805% * 97.4739% (0.92   7.52 247.74) = 100.000%  kept
          HG3   GLN   30 - HN    CYS   21   7.65 +/- 0.66   0.090% *  0.0880% (0.31   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    CYS   21   8.40 +/- 0.32   0.046% *  0.0819% (0.29   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE  119   9.53 +/- 0.34   0.020% *  0.1155% (0.41   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ILE  119  12.34 +/- 0.42   0.004% *  0.2040% (0.73   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    CYS   21  10.46 +/- 0.25   0.012% *  0.0303% (0.11   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ILE  119  13.52 +/- 0.41   0.003% *  0.0958% (0.34   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE  119  16.05 +/- 1.52   0.001% *  0.2040% (0.73   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    CYS   21  11.18 +/- 0.32   0.008% *  0.0176% (0.06   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    CYS   21  12.74 +/- 0.46   0.004% *  0.0303% (0.11   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ILE  119  17.10 +/- 0.54   0.001% *  0.1817% (0.65   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    CYS   21  12.96 +/- 0.68   0.003% *  0.0303% (0.11   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    ILE  119  20.92 +/- 0.52   0.000% *  0.2711% (0.97   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    ILE  119  21.22 +/- 0.33   0.000% *  0.2593% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    ILE  119  18.44 +/- 0.58   0.000% *  0.0958% (0.34   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    ILE  119  19.19 +/- 0.70   0.000% *  0.0958% (0.34   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    ILE  119  22.94 +/- 0.58   0.000% *  0.2785% (0.99   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    CYS   21  18.36 +/- 0.98   0.000% *  0.0574% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    CYS   21  19.23 +/- 1.74   0.000% *  0.0645% (0.23   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    CYS   21  19.85 +/- 0.89   0.000% *  0.0645% (0.23   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    CYS   21  20.75 +/- 0.46   0.000% *  0.0819% (0.29   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    CYS   21  22.22 +/- 0.95   0.000% *  0.0857% (0.30   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    CYS   21  22.27 +/- 0.63   0.000% *  0.0365% (0.13   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE  119  29.83 +/- 0.29   0.000% *  0.0556% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.12, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.924, support = 6.73, residual support = 228.4:
          HG13  ILE  119 - HN    ILE  119   3.43 +/- 0.35  47.824% * 89.2989% (0.99   6.99 247.74) =  91.664%  kept
          QB    ALA   20 - HN    CYS   21   3.53 +/- 0.02  40.377% *  9.6030% (0.19   3.89  15.59) =   8.322%  kept
          QG1   VAL  107 - HN    ILE  119   4.43 +/- 0.15  10.611% *  0.0510% (0.20   0.02   0.02) =   0.012%
          HD3   LYS+ 112 - HN    ILE  119   8.31 +/- 1.23   0.315% *  0.1563% (0.61   0.02   0.02) =   0.001%
          HG2   LYS+ 121 - HN    ILE  119   6.97 +/- 0.31   0.684% *  0.0643% (0.25   0.02   1.94) =   0.001%
          QG1   VAL   24 - HN    CYS   21   8.98 +/- 0.50   0.157% *  0.0396% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    CYS   21  12.58 +/- 0.30   0.020% *  0.0813% (0.32   0.02   0.02) =   0.000%
          QB    ALA   20 - HN    ILE  119  18.13 +/- 0.38   0.002% *  0.1563% (0.61   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    CYS   21  17.93 +/- 0.57   0.002% *  0.0807% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ILE  119  22.27 +/- 0.35   0.001% *  0.2572% (1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HN    CYS   21  15.73 +/- 0.32   0.005% *  0.0161% (0.06   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    ILE  119  22.45 +/- 0.97   0.001% *  0.1255% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    CYS   21  21.82 +/- 0.98   0.001% *  0.0494% (0.19   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    CYS   21  24.58 +/- 0.58   0.000% *  0.0203% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1181 (0.99, 7.92, 121.27 ppm):
    14 chemical-shift based assignments, quality = 0.373, support = 0.0192, residual support = 4.91:
          HG3   LYS+  74 - HN    CYS   21   5.10 +/- 0.63  61.349% *  3.7747% (0.23   0.02   8.54) =  50.358%  kept
          HB    VAL   75 - HN    CYS   21   5.80 +/- 0.22  28.049% *  3.9726% (0.24   0.02   2.49) =  24.232%  kept
          QD1   LEU   67 - HN    ILE  119   8.96 +/- 2.35   5.361% * 15.1858% (0.92   0.02   0.02) =  17.705%  kept
          QD2   LEU   40 - HN    ILE  119  10.17 +/- 0.45   1.096% * 15.5616% (0.95   0.02   0.02) =   3.710%  kept
          QG2   ILE  103 - HN    ILE  119  10.79 +/- 0.41   0.740% * 13.7407% (0.84   0.02   0.02) =   2.211%
          QD2   LEU   71 - HN    CYS   21   9.16 +/- 1.00   2.257% *  1.2962% (0.08   0.02   0.02) =   0.636%
          QD1   LEU   67 - HN    CYS   21  12.72 +/- 1.22   0.383% *  4.7985% (0.29   0.02   0.02) =   0.399%
          QD2   LEU   40 - HN    CYS   21  13.60 +/- 0.67   0.186% *  4.9173% (0.30   0.02   0.02) =   0.198%
          HG3   LYS+  74 - HN    ILE  119  16.92 +/- 1.10   0.062% * 11.9456% (0.73   0.02   0.02) =   0.162%
          QD1   ILE  103 - HN    ILE  119  13.02 +/- 0.68   0.248% *  2.8810% (0.18   0.02   0.02) =   0.156%
          HB    VAL   75 - HN    ILE  119  18.28 +/- 0.44   0.031% * 12.5720% (0.76   0.02   0.02) =   0.084%
          QD2   LEU   71 - HN    ILE  119  15.48 +/- 0.49   0.084% *  4.1020% (0.25   0.02   0.02) =   0.075%
          QG2   ILE  103 - HN    CYS   21  16.31 +/- 0.24   0.059% *  4.3419% (0.26   0.02   0.02) =   0.056%
          QD1   ILE  103 - HN    CYS   21  15.09 +/- 0.52   0.095% *  0.9104% (0.06   0.02   0.02) =   0.019%
    Distance limit 3.55 A violated in 20 structures by 1.14 A, eliminated.
    Peak unassigned.
 
    Peak 1182 (0.21, 7.92, 121.27 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 6.58, residual support = 38.5:
          QG2   THR  118 - HN    ILE  119   2.85 +/- 0.32  99.994% * 99.9041% (0.57   6.58  38.45) = 100.000%  kept
          QG2   THR  118 - HN    CYS   21  15.04 +/- 0.24   0.006% *  0.0959% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1183 (1.46, 7.92, 121.27 ppm):
    20 chemical-shift based assignments, quality = 0.814, support = 3.3, residual support = 42.3:
          QB    ALA  120 - HN    ILE  119   4.25 +/- 0.07  58.608% * 59.4631% (0.80   3.75  48.62) =  82.907%  kept
          HB3   LEU  115 - HN    ILE  119   5.06 +/- 0.42  22.359% * 17.2923% (0.95   0.92  11.86) =   9.198%  kept
          HG    LEU  115 - HN    ILE  119   5.32 +/- 0.26  15.939% * 20.7977% (0.80   1.31  11.86) =   7.886%  kept
          HG    LEU   73 - HN    CYS   21   7.69 +/- 0.26   1.690% *  0.0610% (0.15   0.02   0.67) =   0.002%
          QG    LYS+  66 - HN    ILE  119   8.83 +/- 0.57   0.784% *  0.1223% (0.31   0.02   0.02) =   0.002%
          HG    LEU   67 - HN    ILE  119  11.86 +/- 2.28   0.218% *  0.3928% (0.99   0.02   0.02) =   0.002%
          HG    LEU   40 - HN    ILE  119  12.52 +/- 0.44   0.091% *  0.3749% (0.95   0.02   0.02) =   0.001%
          HB3   LEU   40 - HN    ILE  119  13.67 +/- 0.53   0.054% *  0.2244% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ILE  119  12.09 +/- 0.70   0.117% *  0.0694% (0.18   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  16.92 +/- 0.42   0.015% *  0.1929% (0.49   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  16.06 +/- 1.19   0.022% *  0.1185% (0.30   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  16.51 +/- 1.11   0.019% *  0.1241% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  19.43 +/- 1.10   0.007% *  0.2404% (0.61   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  17.88 +/- 0.39   0.011% *  0.1185% (0.30   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    CYS   21  17.18 +/- 0.87   0.014% *  0.0709% (0.18   0.02   0.02) =   0.000%
          HG    LEU  115 - HN    CYS   21  19.83 +/- 1.12   0.006% *  0.1003% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    CYS   21  15.53 +/- 0.78   0.026% *  0.0219% (0.06   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  17.08 +/- 0.73   0.014% *  0.0386% (0.10   0.02   0.02) =   0.000%
          QB    ALA  120 - HN    CYS   21  21.00 +/- 0.27   0.004% *  0.1003% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  23.55 +/- 0.81   0.002% *  0.0760% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1184 (0.13, 7.93, 121.01 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 1.74, residual support = 2.49:
          QG2   VAL   75 - HN    CYS   21   3.75 +/- 0.17  98.985% * 98.2392% (1.00   1.74   2.49) =  99.994%  kept
          QG2   VAL   42 - HN    CYS   21  10.57 +/- 1.23   0.283% *  1.0676% (0.95   0.02   0.02) =   0.003%
          QG2   VAL   42 - HN    ILE  119   8.62 +/- 0.44   0.719% *  0.3374% (0.30   0.02   0.02) =   0.002%
          QG2   VAL   75 - HN    ILE  119  16.62 +/- 0.29   0.014% *  0.3558% (0.32   0.02   0.02) =   0.000%
    Distance limit 4.41 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   2.17 +/- 0.09  99.997% * 98.1156% (0.84   3.73  15.22) = 100.000%  kept
          QG2   VAL  107 - HN    ALA   20  16.52 +/- 0.17   0.001% *  0.5647% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   31 - HN    ALA   20  14.07 +/- 0.54   0.001% *  0.1943% (0.31   0.02   0.02) =   0.000%
          HG13  ILE  119 - HN    ALA   20  18.29 +/- 0.53   0.000% *  0.2148% (0.34   0.02   0.02) =   0.000%
          HG13  ILE  103 - HN    ALA   20  19.64 +/- 0.28   0.000% *  0.2823% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HN    ALA   20  25.44 +/- 0.50   0.000% *  0.6283% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1186 (0.69, 8.71, 131.46 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 3.67, residual support = 25.3:
          QG2   ILE   19 - HN    ALA   20   2.87 +/- 0.25  99.994% * 99.7540% (0.99   3.67  25.30) = 100.000%  kept
          QD1   LEU   98 - HN    ALA   20  14.85 +/- 0.56   0.006% *  0.2460% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1187 (2.00, 8.93, 131.32 ppm):
    10 chemical-shift based assignments, quality = 0.965, support = 5.58, residual support = 164.7:
      O   HB    ILE   19 - HN    ILE   19   2.09 +/- 0.04  99.742% * 97.8981% (0.97   5.58 164.67) =  99.999%  kept
          HB2   GLN   17 - HN    ILE   19   5.80 +/- 0.17   0.223% *  0.2641% (0.73   0.02   0.02) =   0.001%
          QB    GLU-  15 - HN    ILE   19   8.19 +/- 0.48   0.029% *  0.2641% (0.73   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    ILE   19  13.83 +/- 0.81   0.001% *  0.3358% (0.92   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    ILE   19  13.22 +/- 1.80   0.002% *  0.1241% (0.34   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    ILE   19  15.16 +/- 0.58   0.001% *  0.3262% (0.90   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    ILE   19  18.32 +/- 0.63   0.000% *  0.3605% (0.99   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    ILE   19  16.38 +/- 0.31   0.000% *  0.1011% (0.28   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    ILE   19  17.46 +/- 0.50   0.000% *  0.0907% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    ILE   19  21.58 +/- 0.54   0.000% *  0.2353% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1188 (1.43, 8.93, 131.32 ppm):
    14 chemical-shift based assignments, quality = 0.711, support = 5.73, residual support = 152.8:
          HG12  ILE   19 - HN    ILE   19   4.09 +/- 0.12  56.699% * 75.1721% (0.73   6.08 164.67) =  92.475%  kept
          HG    LEU   73 - HN    ILE   19   5.47 +/- 0.39  11.025% * 17.6408% (0.80   1.29   5.03) =   4.220%  kept
          HB3   LYS+  74 - HN    ILE   19   4.60 +/- 0.39  30.707% *  4.9473% (0.18   1.66   8.48) =   3.296%  kept
          QB    ALA   61 - HN    ILE   19   8.55 +/- 0.30   0.693% *  0.3285% (0.97   0.02   0.02) =   0.005%
          HB3   LEU   67 - HN    ILE   19   9.91 +/- 0.94   0.344% *  0.3404% (1.00   0.02   0.02) =   0.003%
          QG    LYS+  66 - HN    ILE   19  12.54 +/- 0.70   0.071% *  0.3220% (0.95   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE   19  12.65 +/- 0.88   0.070% *  0.2843% (0.84   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ILE   19  10.97 +/- 1.41   0.214% *  0.0758% (0.22   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE   19  12.10 +/- 1.29   0.101% *  0.1051% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ILE   19  15.11 +/- 0.50   0.022% *  0.2726% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE   19  14.39 +/- 0.85   0.031% *  0.1051% (0.31   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ILE   19  15.96 +/- 0.45   0.016% *  0.1051% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE   19  21.60 +/- 1.04   0.003% *  0.2338% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ILE   19  20.21 +/- 0.94   0.004% *  0.0674% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 5.76, residual support = 164.6:
          HG13  ILE   19 - HN    ILE   19   3.81 +/- 0.07  90.030% * 97.9502% (0.97   5.77 164.67) =  99.964%  kept
          HG    LEU   71 - HN    ILE   19   6.69 +/- 0.97   4.558% *  0.3451% (0.98   0.02   0.02) =   0.018%
          HG2   LYS+  74 - HN    ILE   19   6.59 +/- 0.73   4.213% *  0.3489% (0.99   0.02   8.48) =   0.017%
          QG2   THR   39 - HN    ILE   19  10.13 +/- 0.52   0.265% *  0.2418% (0.69   0.02   0.02) =   0.001%
          QB    ALA   34 - HN    ILE   19   8.56 +/- 0.41   0.736% *  0.0476% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ILE   19  11.14 +/- 0.33   0.148% *  0.0878% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    ILE   19  16.79 +/- 1.05   0.013% *  0.3513% (1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ILE   19  17.47 +/- 0.50   0.010% *  0.2418% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   89 - HN    ILE   19  15.88 +/- 0.41   0.018% *  0.1321% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ILE   19  18.31 +/- 0.44   0.007% *  0.1447% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HN    ILE   19  21.88 +/- 0.34   0.003% *  0.1087% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1190 (0.84, 8.93, 131.32 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 4.82, residual support = 22.6:
          QG1   VAL   18 - HN    ILE   19   2.71 +/- 0.28  98.554% * 96.3691% (0.34   4.82  22.56) =  99.988%  kept
          QD1   LEU   71 - HN    ILE   19   6.55 +/- 0.98   1.385% *  0.8056% (0.69   0.02   0.02) =   0.012%
          QG1   VAL   70 - HN    ILE   19   9.80 +/- 0.53   0.051% *  0.5258% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  123 - HN    ILE   19  14.48 +/- 1.06   0.005% *  0.8056% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  104 - HN    ILE   19  17.68 +/- 0.50   0.001% *  1.1318% (0.97   0.02   0.02) =   0.000%
          QD2   LEU  123 - HN    ILE   19  16.04 +/- 0.72   0.003% *  0.3620% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1191 (0.75, 8.93, 131.32 ppm):
    8 chemical-shift based assignments, quality = 0.814, support = 4.64, residual support = 50.5:
          QG2   VAL   18 - HN    ILE   19   3.96 +/- 0.23  30.213% * 57.2595% (0.97   4.82  22.56) =  70.004%  kept
          QD1   ILE   19 - HN    ILE   19   4.42 +/- 0.03  13.617% * 37.7617% (0.57   5.42 164.67) =  20.808%  kept
          QD2   LEU   73 - HN    ILE   19   3.64 +/- 0.78  55.213% *  4.1085% (0.22   1.50   5.03) =   9.179%  kept
          QG1   VAL   43 - HN    ILE   19   7.99 +/- 0.61   0.457% *  0.2439% (0.99   0.02   0.02) =   0.005%
          QG2   THR   46 - HN    ILE   19   8.93 +/- 0.56   0.234% *  0.2207% (0.90   0.02   0.02) =   0.002%
          QG1   VAL   41 - HN    ILE   19   9.11 +/- 0.40   0.181% *  0.2207% (0.90   0.02   0.02) =   0.002%
          HG    LEU   31 - HN    ILE   19  10.83 +/- 0.77   0.077% *  0.0839% (0.34   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    ILE   19  15.50 +/- 0.70   0.008% *  0.1012% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1192 (1.43, 8.71, 131.46 ppm):
    14 chemical-shift based assignments, quality = 0.68, support = 4.14, residual support = 23.9:
          HG12  ILE   19 - HN    ALA   20   4.78 +/- 0.20  45.864% * 88.7268% (0.73   4.38  25.30) =  91.646%  kept
          HB3   LYS+  74 - HN    ALA   20   4.69 +/- 0.43  51.660% *  7.1589% (0.18   1.47   8.28) =   8.329%  kept
          HG    LEU   73 - HN    ALA   20   8.49 +/- 0.42   1.463% *  0.4463% (0.80   0.02   0.02) =   0.015%
          QB    ALA   61 - HN    ALA   20  10.32 +/- 0.28   0.434% *  0.5379% (0.97   0.02   0.02) =   0.005%
          HG    LEU   80 - HN    ALA   20  11.29 +/- 0.72   0.260% *  0.4656% (0.84   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    ALA   20  14.34 +/- 1.02   0.069% *  0.5574% (1.00   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    ALA   20  15.89 +/- 0.70   0.034% *  0.5273% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   20  13.45 +/- 0.59   0.089% *  0.1720% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   20  16.50 +/- 0.53   0.026% *  0.4463% (0.80   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   20  15.28 +/- 1.67   0.055% *  0.1241% (0.22   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   20  16.41 +/- 1.29   0.030% *  0.1720% (0.31   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   20  19.20 +/- 0.40   0.010% *  0.1720% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   20  25.11 +/- 0.98   0.002% *  0.3829% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   20  24.53 +/- 0.84   0.002% *  0.1103% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1193 (1.43, 7.93, 121.01 ppm):
    28 chemical-shift based assignments, quality = 0.2, support = 2.45, residual support = 7.92:
          HB3   LYS+  74 - HN    CYS   21   3.41 +/- 0.39  84.828% * 16.6248% (0.18   2.51   8.54) =  92.468%  kept
          HG12  ILE   19 - HN    CYS   21   7.22 +/- 0.09   1.089% * 72.4672% (0.73   2.63   0.59) =   5.175%  kept
          HB3   LEU  115 - HN    ILE  119   5.06 +/- 0.42  10.118% *  3.4079% (0.10   0.92  11.86) =   2.261%
          HG    LEU   80 - HN    CYS   21   7.37 +/- 0.91   1.106% *  0.6327% (0.84   0.02   1.69) =   0.046%
          HG    LEU   73 - HN    CYS   21   7.69 +/- 0.26   0.738% *  0.6066% (0.80   0.02   0.67) =   0.029%
          QG    LYS+  66 - HN    ILE  119   8.83 +/- 0.57   0.335% *  0.2264% (0.30   0.02   0.02) =   0.005%
          QB    ALA   61 - HN    CYS   21  11.18 +/- 0.33   0.082% *  0.7311% (0.97   0.02   0.02) =   0.004%
          HB2   LEU   80 - HN    CYS   21   9.51 +/- 0.71   0.210% *  0.2338% (0.31   0.02   1.69) =   0.003%
          HD3   LYS+ 121 - HN    ILE  119   7.48 +/- 0.94   1.012% *  0.0474% (0.06   0.02   1.94) =   0.003%
          QB    ALA   61 - HN    ILE  119  10.82 +/- 0.38   0.098% *  0.2310% (0.30   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    ILE  119  10.56 +/- 0.41   0.115% *  0.1917% (0.25   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    ILE  119  12.09 +/- 0.70   0.052% *  0.2394% (0.32   0.02   0.02) =   0.001%
          QB    ALA  110 - HN    CYS   21  14.72 +/- 0.46   0.015% *  0.6066% (0.80   0.02   0.02) =   0.001%
          HB3   LEU   67 - HN    CYS   21  15.53 +/- 0.78   0.011% *  0.7575% (1.00   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    ILE  119  11.86 +/- 2.28   0.096% *  0.0533% (0.07   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    CYS   21  17.08 +/- 0.73   0.007% *  0.7166% (0.95   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ILE  119  12.52 +/- 0.44   0.042% *  0.0739% (0.10   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    CYS   21  16.06 +/- 1.19   0.011% *  0.2338% (0.31   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    CYS   21  16.51 +/- 1.11   0.009% *  0.1686% (0.22   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    ILE  119  16.92 +/- 0.42   0.007% *  0.1917% (0.25   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    CYS   21  17.88 +/- 0.39   0.005% *  0.2338% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ILE  119  19.43 +/- 1.10   0.003% *  0.1644% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    CYS   21  23.55 +/- 0.81   0.001% *  0.5203% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE  119  20.79 +/- 0.26   0.002% *  0.1738% (0.23   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  119  17.61 +/- 0.62   0.006% *  0.0419% (0.06   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE  119  23.62 +/- 1.01   0.001% *  0.1999% (0.26   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    CYS   21  23.63 +/- 0.75   0.001% *  0.1499% (0.20   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ILE  119  24.20 +/- 0.92   0.001% *  0.0739% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1194 (2.19, 7.45, 112.50 ppm):
    7 chemical-shift based assignments, quality = 0.485, support = 3.17, residual support = 83.8:
      O   QG    GLN   17 - HE21  GLN   17   2.14 +/- 0.08  99.997% * 97.4999% (0.48   3.17  83.81) = 100.000%  kept
          HB    VAL   70 - HE21  GLN   17  13.20 +/- 0.86   0.002% *  0.5438% (0.43   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HE21  GLN   17  18.91 +/- 2.27   0.000% *  0.7180% (0.57   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HE21  GLN   17  17.50 +/- 2.70   0.001% *  0.2493% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HE21  GLN   17  21.38 +/- 1.86   0.000% *  0.6511% (0.51   0.02   0.02) =   0.000%
          HB2   MET   96 - HE21  GLN   17  18.62 +/- 1.08   0.000% *  0.1996% (0.16   0.02   0.02) =   0.000%
          HB2   GLN   90 - HE21  GLN   17  26.73 +/- 1.94   0.000% *  0.1383% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1195 (8.26, 7.69, 115.83 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.64, residual support = 51.1:
        T HN    VAL   18 - HN    GLN   17   4.41 +/- 0.02  99.190% * 99.6657% (0.73   5.64  51.08) =  99.997%  kept
          HN    SER   13 - HN    GLN   17  10.12 +/- 0.87   0.810% *  0.3343% (0.69   0.02   0.02) =   0.003%
    Distance limit 4.25 A violated in 0 structures by 0.16 A, kept.
 
    Peak 1196 (7.68, 8.27, 122.56 ppm):
    3 chemical-shift based assignments, quality = 0.891, support = 5.64, residual support = 51.1:
        T HN    GLN   17 - HN    VAL   18   4.41 +/- 0.02  99.828% * 99.2419% (0.89   5.64  51.08) =  99.999%  kept
          HD21  ASN   69 - HN    VAL   18  13.14 +/- 1.02   0.164% *  0.3803% (0.96   0.02   0.02) =   0.001%
          HN    TRP   87 - HN    VAL   18  20.96 +/- 0.41   0.009% *  0.3778% (0.96   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1197 (8.46, 8.93, 131.32 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 3.76, residual support = 8.48:
        T HN    LYS+  74 - HN    ILE   19   3.89 +/- 0.28  99.780% * 97.2907% (0.41   3.76   8.48) =  99.998%  kept
          HN    THR   46 - HN    ILE   19  10.99 +/- 0.46   0.197% *  1.0513% (0.84   0.02   0.02) =   0.002%
          HN    MET   92 - HN    ILE   19  19.17 +/- 0.46   0.007% *  1.2147% (0.97   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ILE   19  18.23 +/- 2.12   0.013% *  0.1942% (0.15   0.02   0.02) =   0.000%
          HN    ASP- 113 - HN    ILE   19  22.19 +/- 0.22   0.003% *  0.2491% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 0.816, support = 2.81, residual support = 3.25:
          HN    THR   26 - HN    VAL   24   4.51 +/- 0.10  65.749% * 86.0099% (0.87   2.88   2.64) =  92.382%  kept
          HN    LEU   80 - HN    VAL   24   5.07 +/- 0.38  34.194% * 13.6382% (0.20   2.00  10.62) =   7.618%  kept
          HN    ALA   34 - HN    VAL   24  14.94 +/- 0.17   0.049% *  0.0933% (0.14   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    VAL   24  20.54 +/- 0.53   0.007% *  0.2586% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1199 (7.33, 9.21, 123.27 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 4.38, residual support = 23.9:
          HN    THR   23 - HN    VAL   24   4.34 +/- 0.03  96.564% * 98.2422% (0.98   4.38  23.92) =  99.991%  kept
          HE3   TRP   27 - HN    VAL   24   8.20 +/- 0.24   2.162% *  0.3497% (0.76   0.02  24.57) =   0.008%
          HD2   HIS   22 - HN    VAL   24   9.01 +/- 0.26   1.225% *  0.1019% (0.22   0.02   0.02) =   0.001%
          QE    PHE   95 - HN    VAL   24  17.61 +/- 0.42   0.022% *  0.4536% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   49 - HN    VAL   24  17.78 +/- 0.51   0.021% *  0.1561% (0.34   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    VAL   24  24.57 +/- 0.47   0.003% *  0.3822% (0.84   0.02   0.02) =   0.000%
          HN    LEU   67 - HN    VAL   24  24.20 +/- 0.40   0.003% *  0.3143% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1200 (10.58, 10.20, 129.00 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.75, residual support = 6.25:
          HE1   TRP   87 - HE1   TRP   27   2.62 +/- 0.32 100.000% *100.0000% (0.53   0.75   6.25) = 100.000%  kept
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1202 (8.08, 8.36, 120.50 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.0, residual support = 18.6:
        T HN    ALA   34 - HN    ASN   35   2.65 +/- 0.06  96.483% * 98.8043% (0.98   4.00  18.58) =  99.990%  kept
          HN    GLN   32 - HN    ASN   35   4.60 +/- 0.05   3.515% *  0.2651% (0.53   0.02   6.86) =   0.010%
        T HN    LEU   80 - HN    ASN   35  18.55 +/- 0.44   0.001% *  0.4651% (0.92   0.02   0.02) =   0.000%
          HN    SER   85 - HN    ASN   35  19.35 +/- 0.46   0.001% *  0.0997% (0.20   0.02   0.02) =   0.000%
          HN    CYS   53 - HN    ASN   35  26.50 +/- 0.39   0.000% *  0.3658% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1203 (7.91, 7.76, 119.36 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 3.97, residual support = 19.5:
        T HN    SER   37 - HN    GLU-  36   2.46 +/- 0.08  99.999% * 98.8480% (0.98   3.97  19.51) = 100.000%  kept
          HN    CYS   21 - HN    GLU-  36  17.17 +/- 0.26   0.001% *  0.2087% (0.41   0.02   0.02) =   0.000%
          HN    ILE   89 - HN    GLU-  36  21.51 +/- 0.35   0.000% *  0.5031% (0.99   0.02   0.02) =   0.000%
          HN    ILE  119 - HN    GLU-  36  24.84 +/- 0.40   0.000% *  0.4403% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1204 (7.88, 7.75, 114.55 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 4.76, residual support = 15.6:
        T HN    LYS+  38 - HN    THR   39   2.81 +/- 0.01  99.956% * 99.4527% (1.00   4.76  15.59) = 100.000%  kept
          HN    LEU   31 - HN    THR   39  10.24 +/- 0.18   0.043% *  0.1165% (0.28   0.02   0.02) =   0.000%
          HN    ASP-  62 - HN    THR   39  19.70 +/- 0.36   0.001% *  0.1429% (0.34   0.02   0.02) =   0.000%
          HN    ARG+  54 - HN    THR   39  28.01 +/- 0.36   0.000% *  0.2878% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1205 (9.33, 9.16, 125.94 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 4.0, residual support = 16.4:
          HN    MET   96 - HN    VAL   43   2.98 +/- 0.16  99.786% * 99.8546% (0.76   4.00  16.41) = 100.000%  kept
          HN    PHE   72 - HN    VAL   43   8.33 +/- 0.17   0.214% *  0.1454% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1206 (8.97, 8.78, 123.55 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 3.87, residual support = 6.65:
          HN    LEU   73 - HN    ASP-  44   3.74 +/- 0.17  96.464% * 98.1447% (0.38   3.87   6.65) =  99.980%  kept
          HN    VAL   42 - HN    ASP-  44   6.52 +/- 0.14   3.471% *  0.5071% (0.38   0.02   0.02) =   0.019%
          HN    LYS+ 106 - HN    ASP-  44  12.70 +/- 0.20   0.065% *  1.3482% (1.00   0.02   0.02) =   0.001%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1207 (8.97, 9.16, 125.94 ppm):
    3 chemical-shift based assignments, quality = 0.375, support = 5.62, residual support = 34.4:
          HN    VAL   42 - HN    VAL   43   4.45 +/- 0.07  65.686% * 72.3346% (0.38   6.25  39.39) =  83.916%  kept
          HN    LEU   73 - HN    VAL   43   4.98 +/- 0.22  33.652% * 27.0498% (0.38   2.34   8.15) =  16.077%  kept
          HN    LYS+ 106 - HN    VAL   43   9.59 +/- 0.22   0.662% *  0.6156% (1.00   0.02   0.02) =   0.007%
    Distance limit 4.24 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 = 0.83, support = 0.0197, residual support = 0.0197:
          HN    ALA   84 - HN    ASP-  44  10.96 +/- 0.34  31.664% * 23.7147% (1.00   0.02   0.02) =  38.976%  kept
          HN    LEU   63 - HN    ASP-  44  10.40 +/- 0.47  43.064% * 15.3753% (0.65   0.02   0.02) =  34.368%  kept
          HN    ILE   56 - HN    ASP-  44  12.49 +/- 0.28  14.120% * 18.1638% (0.76   0.02   0.02) =  13.313%  kept
          HN    LYS+ 111 - HN    ASP-  44  13.34 +/- 0.40   9.569% * 23.7147% (1.00   0.02   0.02) =  11.779%  kept
          HE21  GLN   32 - HN    ASP-  44  18.36 +/- 1.29   1.583% * 19.0315% (0.80   0.02   0.02) =   1.564%
    Distance limit 4.22 A violated in 20 structures by 4.80 A, eliminated.
    Peak unassigned.
 
    Peak 1209 (7.26, 8.78, 123.55 ppm):
    5 chemical-shift based assignments, quality = 0.579, support = 0.0197, residual support = 0.224:
          QD    PHE   60 - HN    ASP-  44   5.11 +/- 0.37  80.193% * 13.9289% (0.41   0.02   0.34) =  64.857%  kept
          QE    PHE   59 - HN    ASP-  44   6.67 +/- 0.66  18.615% * 31.2761% (0.92   0.02   0.02) =  33.805%  kept
          HN    PHE   59 - HN    ASP-  44  11.40 +/- 0.42   0.644% * 19.1819% (0.57   0.02   0.02) =   0.718%
          HN    LYS+  66 - HN    ASP-  44  12.94 +/- 0.38   0.311% * 30.3855% (0.90   0.02   0.02) =   0.548%
          HN    LYS+  81 - HN    ASP-  44  13.71 +/- 0.37   0.237% *  5.2277% (0.15   0.02   0.02) =   0.072%
    Distance limit 4.51 A violated in 13 structures by 0.43 A, eliminated.
    Peak unassigned.
 
    Peak 1210 (7.68, 7.86, 120.86 ppm):
    3 chemical-shift based assignments, quality = 0.654, support = 0.0197, residual support = 0.0197:
          HN    GLN   17 - HN    ASP-  62  11.29 +/- 0.33  76.352% * 29.1578% (0.63   0.02   0.02) =  72.372%  kept
          HD21  ASN   69 - HN    ASP-  62  14.03 +/- 1.10  22.192% * 36.0114% (0.77   0.02   0.02) =  25.979%  kept
          HN    TRP   87 - HN    ASP-  62  21.89 +/- 0.46   1.456% * 34.8308% (0.75   0.02   0.02) =   1.649%
    Distance limit 3.42 A violated in 20 structures by 7.39 A, eliminated.
    Peak unassigned.
 
    Peak 1211 (7.57, 7.86, 120.86 ppm):
    5 chemical-shift based assignments, quality = 0.324, support = 5.87, residual support = 42.6:
        T HN    LEU   63 - HN    ASP-  62   2.50 +/- 0.07  99.959% * 97.1746% (0.32   5.87  42.57) = 100.000%  kept
        T HN    ILE   56 - HN    ASP-  62   9.45 +/- 0.28   0.036% *  0.4295% (0.42   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HN    ASP-  62  13.06 +/- 0.33   0.005% *  0.7654% (0.75   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    ASP-  62  21.64 +/- 0.32   0.000% *  0.7654% (0.75   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    ASP-  62  27.00 +/- 1.04   0.000% *  0.8650% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1212 (8.75, 8.95, 120.59 ppm):
    2 chemical-shift based assignments, quality = 0.912, support = 0.0198, residual support = 0.0198:
          HN    PHE   45 - HN    LEU   73   7.83 +/- 0.17  98.877% * 48.0011% (0.92   0.02   0.02) =  98.784%  kept
          HN    ALA  110 - HN    LEU   73  16.57 +/- 0.53   1.123% * 51.9989% (1.00   0.02   0.02) =   1.216%
    Distance limit 3.99 A violated in 20 structures by 3.84 A, eliminated.
    Peak unassigned.
 
    Peak 1213 (8.51, 9.10, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.405, support = 3.97, residual support = 20.7:
          HN    VAL   75 - HN    ASP-  76   4.36 +/- 0.11  76.370% * 43.7987% (0.28   4.64  27.21) =  71.770%  kept
          HN    ASP-  78 - HN    ASP-  76   5.32 +/- 0.20  23.618% * 55.7080% (0.73   2.26   4.25) =  28.230%  kept
          HN    LYS+ 112 - HN    ASP-  76  20.59 +/- 0.40   0.007% *  0.3045% (0.45   0.02   0.02) =   0.000%
          HN    MET   11 - HN    ASP-  76  25.13 +/- 3.73   0.005% *  0.1888% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1214 (7.57, 8.49, 124.18 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 5.34, residual support = 25.5:
        T HN    LYS+ 111 - HN    LYS+ 112   4.31 +/- 0.05  96.390% * 98.8436% (0.87   5.34  25.46) =  99.992%  kept
          HN    ILE   56 - HN    LYS+ 112   7.52 +/- 0.28   3.490% *  0.2077% (0.49   0.02   7.38) =   0.008%
          HN    LEU   63 - HN    LYS+ 112  13.26 +/- 0.30   0.114% *  0.1602% (0.38   0.02   0.02) =   0.000%
          HN    ALA   84 - HN    LYS+ 112  22.43 +/- 0.49   0.005% *  0.3702% (0.87   0.02   0.02) =   0.000%
          HE21  GLN   32 - HN    LYS+ 112  34.23 +/- 1.30   0.000% *  0.4183% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1215 (7.30, 8.17, 116.99 ppm):
    5 chemical-shift based assignments, quality = 0.332, support = 0.0197, residual support = 0.0197:
          QD    PHE   55 - HN    GLN  116   7.37 +/- 0.23  90.205% * 11.5373% (0.28   0.02   0.02) =  82.477%  kept
          QD    PHE   60 - HN    GLN  116  11.28 +/- 0.40   7.429% * 26.8436% (0.65   0.02   0.02) =  15.805%  kept
          HN    LYS+  66 - HN    GLN  116  13.75 +/- 0.21   2.181% *  8.2119% (0.20   0.02   0.02) =   1.420%
          HE3   TRP   27 - HN    GLN  116  21.79 +/- 0.34   0.138% * 14.1544% (0.34   0.02   0.02) =   0.155%
          HN    LYS+  81 - HN    GLN  116  26.19 +/- 0.46   0.046% * 39.2529% (0.95   0.02   0.02) =   0.143%
    Distance limit 4.30 A violated in 20 structures by 2.97 A, eliminated.
    Peak unassigned.
 
    Peak 1216 (3.69, 7.43, 118.69 ppm):
    7 chemical-shift based assignments, quality = 0.785, support = 5.01, residual support = 42.7:
      O   HA    ILE  119 - HN    ALA  120   3.62 +/- 0.02  81.425% * 61.2032% (0.80   5.18  48.62) =  87.598%  kept
          HA    THR  118 - HN    ALA  120   4.66 +/- 0.23  18.502% * 38.1350% (0.67   3.85   0.49) =  12.402%  kept
          HD3   PRO   58 - HN    ALA  120  12.28 +/- 0.53   0.056% *  0.0540% (0.18   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    ALA  120  15.50 +/- 0.35   0.013% *  0.1121% (0.38   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ALA  120  22.70 +/- 0.38   0.001% *  0.1654% (0.56   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ALA  120  22.35 +/- 0.29   0.001% *  0.1121% (0.38   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ALA  120  25.45 +/- 0.42   0.001% *  0.2183% (0.74   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (4.24, 7.43, 118.69 ppm):
    5 chemical-shift based assignments, quality = 0.921, support = 1.0, residual support = 5.97:
          HA    SER  117 - HN    ALA  120   3.63 +/- 0.08  99.854% * 96.3809% (0.92   1.00   5.97) =  99.999%  kept
          HA    ASP-  62 - HN    ALA  120  11.25 +/- 0.63   0.120% *  1.0147% (0.49   0.02   0.02) =   0.001%
          HA    ALA   57 - HN    ALA  120  14.55 +/- 0.42   0.025% *  0.7929% (0.38   0.02   0.02) =   0.000%
          HB    THR   26 - HN    ALA  120  28.38 +/- 0.42   0.000% *  1.4739% (0.71   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA  120  22.46 +/- 0.46   0.002% *  0.3378% (0.16   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (2.48, 7.41, 111.00 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 4.08, residual support = 112.2:
      O   HG3   GLN  116 - HE21  GLN  116   3.32 +/- 0.28  99.995% * 99.1222% (0.69   4.08 112.17) = 100.000%  kept
          HG3   MET   96 - HE21  GLN  116  18.21 +/- 0.69   0.004% *  0.1576% (0.22   0.02   0.02) =   0.000%
          HB3   TRP   87 - HE21  GLN  116  23.11 +/- 0.74   0.001% *  0.4293% (0.61   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HE21  GLN  116  31.38 +/- 1.50   0.000% *  0.2910% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1219 (1.45, 7.41, 111.00 ppm):
    13 chemical-shift based assignments, quality = 0.525, support = 3.38, residual support = 81.9:
          HG    LEU  115 - HE21  GLN  116   5.24 +/- 1.13  43.802% * 24.3640% (0.41   3.59  94.76) =  65.040%  kept
          HB3   LEU  115 - HE21  GLN  116   7.06 +/- 0.80   5.069% * 69.1868% (0.95   4.43  94.76) =  21.375%  kept
          QB    ALA  120 - HE21  GLN  116   4.99 +/- 0.87  48.826% *  4.5569% (0.41   0.67   0.02) =  13.560%  kept
          QG    LYS+  66 - HE21  GLN  116   8.87 +/- 1.01   1.296% *  0.2266% (0.69   0.02   0.02) =   0.018%
          QB    ALA   61 - HE21  GLN  116  10.63 +/- 1.19   0.453% *  0.1125% (0.34   0.02   0.02) =   0.003%
          QB    ALA  110 - HE21  GLN  116  10.68 +/- 0.78   0.396% *  0.0578% (0.18   0.02   0.02) =   0.001%
          HG    LEU   67 - HE21  GLN  116  14.79 +/- 1.89   0.066% *  0.2861% (0.87   0.02   0.02) =   0.001%
          HB3   LEU   67 - HE21  GLN  116  15.18 +/- 1.16   0.048% *  0.1605% (0.49   0.02   0.02) =   0.000%
          HG    LEU   40 - HE21  GLN  116  17.38 +/- 0.99   0.019% *  0.3120% (0.95   0.02   0.02) =   0.000%
          HG    LEU   73 - HE21  GLN  116  20.89 +/- 1.22   0.006% *  0.2861% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   40 - HE21  GLN  116  18.32 +/- 1.06   0.014% *  0.0734% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HE21  GLN  116  24.86 +/- 1.31   0.002% *  0.3120% (0.95   0.02   0.02) =   0.000%
          HG    LEU   80 - HE21  GLN  116  27.03 +/- 1.55   0.001% *  0.0653% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.61 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 = 0.513, support = 1.19, residual support = 0.722:
          QB    GLU- 114 - HN    SER  117   4.86 +/- 0.11  57.224% * 60.2954% (0.61   1.10   0.83) =  77.168%  kept
          HB    ILE  119 - HN    SER  117   5.24 +/- 0.17  36.446% * 27.6978% (0.20   1.54   0.38) =  22.577%  kept
          HB2   LYS+ 111 - HN    SER  117   7.08 +/- 0.38   6.265% *  1.8092% (1.00   0.02   0.02) =   0.254%
          HB3   PRO   68 - HN    SER  117  19.99 +/- 1.67   0.014% *  1.5145% (0.84   0.02   0.02) =   0.000%
          HG2   PRO   68 - HN    SER  117  18.54 +/- 1.79   0.023% *  0.8129% (0.45   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    SER  117  22.04 +/- 0.63   0.007% *  1.8092% (1.00   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    SER  117  22.79 +/- 0.65   0.005% *  1.8092% (1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    SER  117  22.41 +/- 0.21   0.006% *  0.9540% (0.53   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    SER  117  23.88 +/- 0.63   0.004% *  0.4521% (0.25   0.02   0.02) =   0.000%
          HG3   GLN   30 - HN    SER  117  26.46 +/- 0.64   0.002% *  0.8129% (0.45   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    SER  117  24.79 +/- 0.33   0.003% *  0.3588% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    SER  117  32.74 +/- 0.33   0.001% *  1.6738% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1221 (1.46, 8.66, 115.11 ppm):
    10 chemical-shift based assignments, quality = 0.855, support = 2.3, residual support = 3.23:
          HG    LEU  115 - HN    SER  117   5.18 +/- 0.65  33.914% * 36.1959% (0.84   2.67   1.98) =  46.291%  kept
          QB    ALA  120 - HN    SER  117   4.70 +/- 0.20  53.059% * 15.6426% (0.84   1.16   5.97) =  31.298%  kept
          HB3   LEU  115 - HN    SER  117   5.96 +/- 0.11  12.677% * 46.8786% (0.92   3.13   1.98) =  22.410%  kept
          QG    LYS+  66 - HN    SER  117  11.88 +/- 0.42   0.204% *  0.0902% (0.28   0.02   0.02) =   0.001%
          HG    LEU   67 - HN    SER  117  15.90 +/- 2.22   0.047% *  0.3178% (0.98   0.02   0.02) =   0.001%
          HG    LEU   40 - HN    SER  117  16.12 +/- 0.35   0.033% *  0.2993% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   40 - HN    SER  117  17.35 +/- 0.41   0.021% *  0.1967% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    SER  117  16.18 +/- 0.59   0.032% *  0.0500% (0.15   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    SER  117  20.39 +/- 0.49   0.008% *  0.1454% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    SER  117  21.51 +/- 1.09   0.006% *  0.1836% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1222 (2.99, 9.38, 128.74 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.39, residual support = 17.9:
          HB2   PHE   97 - HN    LEU  104   3.51 +/- 0.30  95.496% * 98.3287% (1.00   3.39  17.87) =  99.981%  kept
          QE    LYS+ 106 - HN    LEU  104   6.80 +/- 1.17   3.344% *  0.4447% (0.76   0.02   0.02) =   0.016%
          QE    LYS+  99 - HN    LEU  104   7.61 +/- 0.30   1.112% *  0.2184% (0.38   0.02  18.76) =   0.003%
          HB3   PHE   60 - HN    LEU  104  15.19 +/- 0.70   0.017% *  0.3295% (0.57   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU  104  17.04 +/- 0.42   0.008% *  0.5768% (0.99   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU  104  14.37 +/- 0.51   0.024% *  0.1019% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1223 (1.83, 9.38, 128.74 ppm):
    9 chemical-shift based assignments, quality = 0.936, support = 5.43, residual support = 36.2:
          HG12  ILE  103 - HN    LEU  104   4.39 +/- 0.30  72.401% * 83.3079% (0.97   5.65  38.55) =  93.916%  kept
          QB    LYS+ 102 - HN    LEU  104   5.32 +/- 0.41  25.688% * 15.1894% (0.49   2.04   0.38) =   6.075%  kept
          HB    VAL   41 - HN    LEU  104   8.85 +/- 1.17   1.611% *  0.3056% (1.00   0.02   0.02) =   0.008%
          QB    LYS+  66 - HN    LEU  104  14.00 +/- 0.54   0.070% *  0.2891% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   71 - HN    LEU  104  12.48 +/- 0.50   0.147% *  0.1042% (0.34   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    LEU  104  15.32 +/- 0.69   0.041% *  0.2336% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    LEU  104  17.70 +/- 0.37   0.017% *  0.2219% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  65 - HN    LEU  104  17.18 +/- 0.27   0.020% *  0.1147% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    LEU  104  22.08 +/- 0.50   0.005% *  0.2336% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.52 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 = 1.86, residual support = 29.1:
          QB    LEU   98 - HN    ILE  103   4.29 +/- 0.09  99.690% * 89.3410% (0.61   1.86  29.05) =  99.996%  kept
          HD3   LYS+ 121 - HN    ILE  103  12.45 +/- 1.00   0.191% *  1.4173% (0.90   0.02   0.02) =   0.003%
          HB2   LEU   80 - HN    ILE  103  18.69 +/- 0.69   0.015% *  1.5491% (0.98   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ILE  103  18.26 +/- 0.35   0.017% *  1.2655% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ILE  103  16.68 +/- 0.94   0.031% *  0.6497% (0.41   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ILE  103  19.91 +/- 0.40   0.010% *  1.3709% (0.87   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ILE  103  19.60 +/- 0.72   0.011% *  1.2078% (0.76   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    ILE  103  20.33 +/- 0.43   0.009% *  1.3709% (0.87   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ILE  103  19.51 +/- 0.27   0.011% *  0.8947% (0.57   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ILE  103  19.50 +/- 0.52   0.012% *  0.3941% (0.25   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ILE  103  25.36 +/- 2.26   0.003% *  0.5391% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1225 (0.73, 8.62, 122.05 ppm):
    7 chemical-shift based assignments, quality = 0.802, support = 5.23, residual support = 35.8:
          QD2   LEU  104 - HN    ILE  103   4.48 +/- 0.33  34.505% * 81.5611% (1.00   5.72  38.55) =  71.367%  kept
          QD1   LEU   98 - HN    ILE  103   3.97 +/- 0.45  63.956% * 17.6531% (0.31   4.01  29.05) =  28.630%  kept
          QG1   VAL   43 - HN    ILE  103   8.34 +/- 0.48   0.797% *  0.0972% (0.34   0.02   0.02) =   0.002%
          QG1   VAL   41 - HN    ILE  103   8.48 +/- 0.42   0.716% *  0.0564% (0.20   0.02   0.02) =   0.001%
          QD1   ILE   19 - HN    ILE  103  17.95 +/- 0.37   0.008% *  0.2751% (0.97   0.02   0.02) =   0.000%
          QG2   VAL   18 - HN    ILE  103  16.79 +/- 0.48   0.012% *  0.1614% (0.57   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    ILE  103  18.00 +/- 0.38   0.007% *  0.1958% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1226 (0.58, 9.38, 128.74 ppm):
    7 chemical-shift based assignments, quality = 0.411, support = 6.87, residual support = 219.2:
          QD1   LEU  104 - HN    LEU  104   4.00 +/- 0.17  97.199% * 97.1204% (0.41   6.87 219.26) =  99.988%  kept
          QD1   LEU   63 - HN    LEU  104   9.05 +/- 0.40   0.783% *  0.6636% (0.97   0.02   0.02) =   0.006%
          QD2   LEU   63 - HN    LEU  104   9.56 +/- 0.66   0.581% *  0.4993% (0.73   0.02   0.02) =   0.003%
          QG2   VAL   41 - HN    LEU  104   8.58 +/- 0.40   1.091% *  0.1361% (0.20   0.02   0.02) =   0.002%
          QD1   LEU   73 - HN    LEU  104  11.19 +/- 0.44   0.216% *  0.6636% (0.97   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    LEU  104  12.63 +/- 0.58   0.105% *  0.4723% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   80 - HN    LEU  104  16.13 +/- 0.87   0.025% *  0.4448% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1227 (0.71, 7.80, 116.22 ppm):
    3 chemical-shift based assignments, quality = 0.4, support = 5.0, residual support = 28.3:
          QD2   LEU  104 - HN    ASP- 105   4.36 +/- 0.28  71.359% * 49.1025% (0.18   6.54  39.79) =  70.856%  kept
          QD1   LEU   98 - HN    ASP- 105   5.34 +/- 0.91  28.588% * 50.4122% (0.95   1.24   0.50) =  29.144%  kept
          QG2   ILE   19 - HN    ASP- 105  14.58 +/- 0.24   0.053% *  0.4853% (0.57   0.02   0.02) =   0.001%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1228 (1.38, 8.97, 118.18 ppm):
    15 chemical-shift based assignments, quality = 0.897, support = 4.03, residual support = 130.1:
          HG3   LYS+ 106 - HN    LYS+ 106   3.19 +/- 0.41  97.945% * 95.5454% (0.90   4.03 130.11) =  99.997%  kept
          HD3   LYS+ 121 - HN    LYS+ 106   7.39 +/- 1.34   1.544% *  0.0926% (0.18   0.02   0.02) =   0.002%
          QB    LEU   98 - HN    LYS+ 106   9.49 +/- 0.25   0.174% *  0.2173% (0.41   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+ 106  11.35 +/- 0.45   0.062% *  0.5274% (1.00   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LYS+ 106   9.90 +/- 1.02   0.155% *  0.1177% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+ 106  12.97 +/- 1.04   0.029% *  0.5239% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LYS+ 106  12.30 +/- 0.24   0.037% *  0.1803% (0.34   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+ 106  14.63 +/- 0.29   0.013% *  0.5101% (0.97   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LYS+ 106  13.95 +/- 0.26   0.018% *  0.1631% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LYS+ 106  17.20 +/- 0.31   0.005% *  0.5274% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+ 106  20.01 +/- 0.44   0.002% *  0.5274% (1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+ 106  14.87 +/- 0.64   0.011% *  0.0816% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+ 106  21.86 +/- 0.55   0.001% *  0.5181% (0.98   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LYS+ 106  18.15 +/- 0.51   0.004% *  0.1046% (0.20   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+ 106  26.43 +/- 1.70   0.001% *  0.3631% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1229 (1.08, 8.97, 118.18 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 2.84, residual support = 20.5:
          QG1   VAL  107 - HN    LYS+ 106   3.65 +/- 0.22  99.828% * 97.0419% (0.53   2.84  20.46) =  99.999%  kept
          HG    LEU   63 - HN    LYS+ 106  11.40 +/- 0.49   0.114% *  0.9425% (0.73   0.02   0.02) =   0.001%
          HG3   LYS+ 112 - HN    LYS+ 106  15.28 +/- 0.59   0.019% *  0.4006% (0.31   0.02   0.02) =   0.000%
          QG2   VAL   24 - HN    LYS+ 106  18.61 +/- 0.54   0.006% *  1.1258% (0.87   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HN    LYS+ 106  14.55 +/- 0.89   0.028% *  0.2003% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   24 - HN    LYS+ 106  19.09 +/- 1.04   0.005% *  0.2890% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.78 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   3.74 +/- 0.09  99.874% * 99.3900% (0.98   4.20  60.45) = 100.000%  kept
          QD1   LEU   40 - HN    VAL  108  12.83 +/- 0.44   0.064% *  0.2352% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   63 - HN    VAL  108  13.71 +/- 0.28   0.041% *  0.2542% (0.53   0.02   0.02) =   0.000%
          QD2   LEU   67 - HN    VAL  108  15.69 +/- 1.42   0.021% *  0.1205% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1231 (0.63, 7.72, 122.85 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.87, residual support = 7.83:
          QG2   ILE   89 - HN    ALA   91   3.38 +/- 0.26  96.330% * 99.3843% (1.00   2.87   7.83) =  99.998%  kept
          QG1   VAL   83 - HN    TRP   27   6.01 +/- 0.37   3.528% *  0.0451% (0.07   0.02   3.07) =   0.002%
          QG1   VAL   83 - HN    ALA   91  11.49 +/- 0.75   0.076% *  0.3648% (0.53   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    TRP   27  11.84 +/- 0.39   0.057% *  0.0857% (0.12   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   91  18.20 +/- 0.80   0.004% *  0.1070% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    TRP   27  17.77 +/- 0.64   0.005% *  0.0132% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1232 (1.26, 10.11, 128.03 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 5.33, residual support = 40.2:
          HG3   LYS+  99 - HN    GLU- 100   3.53 +/- 0.30  88.833% * 94.9861% (0.45   5.34  40.20) =  99.912%  kept
          QB    ALA   34 - HN    GLU- 100   5.77 +/- 0.51   5.660% *  0.5766% (0.73   0.02   0.02) =   0.039%
          QG2   THR   39 - HN    GLU- 100   6.47 +/- 0.51   2.870% *  0.7511% (0.95   0.02   0.02) =   0.026%
          HG3   LYS+  38 - HN    GLU- 100   6.78 +/- 0.92   2.516% *  0.7870% (0.99   0.02   0.02) =   0.023%
          HG    LEU   71 - HN    GLU- 100  11.33 +/- 0.80   0.099% *  0.2980% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    GLU- 100  18.07 +/- 0.27   0.005% *  0.7121% (0.90   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    GLU- 100  17.46 +/- 0.74   0.007% *  0.5136% (0.65   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    GLU- 100  21.04 +/- 0.94   0.002% *  0.7511% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HN    GLU- 100  18.83 +/- 1.19   0.005% *  0.3264% (0.41   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    GLU- 100  20.35 +/- 0.58   0.003% *  0.2980% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 4.89:
          QB    ALA   84 - HN    LYS+  81   4.23 +/- 0.05  99.756% * 70.7750% (0.57   0.75   4.89) =  99.993%  kept
          HB3   LEU   73 - HN    LYS+  81  13.93 +/- 0.60   0.081% *  3.0773% (0.92   0.02   0.02) =   0.004%
          HB3   PRO   93 - HN    LYS+  81  16.16 +/- 0.44   0.033% *  2.0219% (0.61   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    LYS+  81  17.37 +/- 1.01   0.022% *  1.4946% (0.45   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LYS+  81  19.43 +/- 0.43   0.011% *  2.8917% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LYS+  81  20.27 +/- 0.95   0.009% *  3.3336% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LYS+  81  15.74 +/- 0.57   0.039% *  0.7422% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LYS+  81  21.44 +/- 1.34   0.006% *  2.6693% (0.80   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LYS+  81  16.93 +/- 0.35   0.025% *  0.6597% (0.20   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LYS+  81  23.74 +/- 3.00   0.007% *  1.3705% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LYS+  81  24.48 +/- 0.77   0.003% *  3.1535% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LYS+  81  26.29 +/- 0.60   0.002% *  3.2676% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LYS+  81  25.82 +/- 0.43   0.002% *  2.8917% (0.87   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LYS+  81  22.13 +/- 0.27   0.005% *  0.5144% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LYS+  81  29.86 +/- 0.59   0.001% *  1.1371% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1234 (0.08, 7.91, 118.70 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.88, residual support = 214.5:
          QD1   ILE   89 - HN    ILE   89   3.41 +/- 0.17  96.414% * 99.3837% (0.92   5.89 214.55) =  99.986%  kept
          QG2   VAL   83 - HN    ILE   89   6.01 +/- 0.24   3.495% *  0.3650% (1.00   0.02   0.02) =   0.013%
          QD2   LEU   31 - HN    ILE   89  10.99 +/- 0.40   0.091% *  0.2513% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1235 (1.34, 7.91, 118.70 ppm):
    12 chemical-shift based assignments, quality = 0.379, support = 3.43, residual support = 8.68:
          QB    ALA   88 - HN    ILE   89   3.56 +/- 0.06  55.627% * 55.5806% (0.34   4.12   7.03) =  64.812%  kept
          QB    ALA   84 - HN    ILE   89   3.73 +/- 0.28  43.947% * 38.1905% (0.45   2.15  11.73) =  35.182%  kept
          HB3   LEU   80 - HN    ILE   89   8.95 +/- 1.18   0.264% *  0.7760% (0.98   0.02   0.02) =   0.004%
          HG    LEU   98 - HN    ILE   89  11.27 +/- 0.82   0.060% *  0.4482% (0.57   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    ILE   89  12.28 +/- 0.41   0.033% *  0.6612% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ILE   89  11.71 +/- 0.20   0.044% *  0.3255% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    ILE   89  15.12 +/- 0.35   0.009% *  0.7899% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ILE   89  15.29 +/- 0.53   0.009% *  0.7760% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ILE   89  17.91 +/- 0.34   0.003% *  0.7308% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ILE   89  19.86 +/- 0.40   0.002% *  0.6339% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ILE   89  23.20 +/- 0.81   0.001% *  0.5438% (0.69   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ILE   89  24.66 +/- 0.56   0.001% *  0.5438% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1236 (1.25, 8.62, 127.39 ppm):
    11 chemical-shift based assignments, quality = 0.702, support = 3.71, residual support = 34.1:
          QB    ALA   91 - HN    GLN   90   4.26 +/- 0.32  66.177% * 61.1408% (0.84   3.04  32.73) =  77.327%  kept
          HG12  ILE   89 - HN    GLN   90   4.83 +/- 0.21  32.958% * 35.9907% (0.25   6.00  38.74) =  22.670%  kept
          QG2   ILE   56 - HN    GLN   90   9.42 +/- 0.28   0.570% *  0.1805% (0.38   0.02   0.02) =   0.002%
          HG2   LYS+  74 - HN    GLN   90  12.04 +/- 1.28   0.171% *  0.4440% (0.92   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - HN    GLN   90  13.14 +/- 1.02   0.079% *  0.0952% (0.20   0.02   0.02) =   0.000%
          HG13  ILE   19 - HN    GLN   90  20.03 +/- 1.20   0.007% *  0.4810% (1.00   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    GLN   90  19.85 +/- 0.54   0.007% *  0.4018% (0.84   0.02   0.02) =   0.000%
          HG    LEU   71 - HN    GLN   90  20.83 +/- 1.40   0.005% *  0.4314% (0.90   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    GLN   90  16.43 +/- 0.60   0.021% *  0.1071% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HN    GLN   90  22.44 +/- 0.70   0.003% *  0.4550% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    GLN   90  26.56 +/- 1.00   0.001% *  0.2723% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1238 (2.15, 8.62, 127.39 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 5.58, residual support = 89.6:
      O   HB2   GLN   90 - HN    GLN   90   3.96 +/- 0.22  99.674% * 98.2015% (0.73   5.58  89.58) =  99.998%  kept
          HB3   GLU-  79 - HN    GLN   90  11.16 +/- 1.64   0.309% *  0.4752% (0.98   0.02   0.02) =   0.002%
          HB3   GLU-  29 - HN    GLN   90  21.18 +/- 1.53   0.005% *  0.4348% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    GLN   90  21.08 +/- 1.22   0.005% *  0.2551% (0.53   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    GLN   90  23.81 +/- 0.63   0.002% *  0.4838% (1.00   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    GLN   90  23.25 +/- 0.43   0.003% *  0.0748% (0.15   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   90  26.49 +/- 0.58   0.001% *  0.0748% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1239 (0.77, 9.36, 127.59 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.96, residual support = 31.7:
          QD2   LEU   73 - HN    PHE   72   3.34 +/- 0.56  89.589% * 98.4017% (0.87   4.96  31.68) =  99.975%  kept
          QG2   VAL   18 - HN    PHE   72   5.40 +/- 0.32   6.908% *  0.1561% (0.34   0.02   3.23) =   0.012%
          QG1   VAL   41 - HN    PHE   72   6.66 +/- 0.38   2.087% *  0.3497% (0.76   0.02   0.02) =   0.008%
          QG1   VAL   43 - HN    PHE   72   7.27 +/- 0.43   1.171% *  0.2591% (0.57   0.02   0.02) =   0.003%
          HG    LEU   31 - HN    PHE   72  10.65 +/- 1.06   0.158% *  0.4417% (0.97   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    PHE   72  11.73 +/- 0.44   0.067% *  0.1141% (0.25   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    PHE   72  14.42 +/- 0.31   0.019% *  0.2776% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1240 (0.40, 9.36, 127.59 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.58, residual support = 40.2:
          QB    ALA   64 - HN    PHE   72   4.44 +/- 0.23  99.960% * 99.8643% (1.00   2.58  40.22) = 100.000%  kept
          QB    ALA   47 - HN    PHE   72  16.46 +/- 0.18   0.040% *  0.1357% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1241 (2.00, 8.48, 121.30 ppm):
    10 chemical-shift based assignments, quality = 0.707, support = 2.61, residual support = 8.48:
          HB    ILE   19 - HN    LYS+  74   4.23 +/- 0.23  98.407% * 95.9634% (0.71   2.61   8.48) =  99.992%  kept
          HB2   GLN   17 - HN    LYS+  74   9.09 +/- 0.24   1.041% *  0.4465% (0.43   0.02   0.02) =   0.005%
          QB    GLU-  15 - HN    LYS+  74  11.27 +/- 0.64   0.291% *  0.4465% (0.43   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HN    LYS+  74  12.92 +/- 0.37   0.127% *  0.5894% (0.57   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    LYS+  74  17.09 +/- 0.42   0.024% *  0.7215% (0.69   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    LYS+  74  17.63 +/- 0.66   0.020% *  0.7345% (0.71   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    LYS+  74  16.89 +/- 0.28   0.026% *  0.2763% (0.27   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    LYS+  74  17.10 +/- 0.56   0.024% *  0.2511% (0.24   0.02   0.02) =   0.000%
          HB3   PRO   68 - HN    LYS+  74  16.71 +/- 1.48   0.033% *  0.1836% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    LYS+  74  20.59 +/- 0.61   0.008% *  0.3873% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1242 (0.60, 8.48, 121.30 ppm):
    7 chemical-shift based assignments, quality = 0.373, support = 5.48, residual support = 43.9:
          QD1   LEU   73 - HN    LYS+  74   4.72 +/- 0.14  88.636% * 97.1540% (0.37   5.49  43.90) =  99.932%  kept
          QD2   LEU   80 - HN    LYS+  74   7.20 +/- 0.56   7.809% *  0.6038% (0.64   0.02   0.02) =   0.055%
          QG1   VAL   83 - HN    LYS+  74  10.09 +/- 0.54   1.028% *  0.5145% (0.54   0.02   0.02) =   0.006%
          QD1   LEU   63 - HN    LYS+  74  10.05 +/- 0.48   1.057% *  0.3542% (0.37   0.02   0.02) =   0.004%
          QG2   ILE   89 - HN    LYS+  74   9.71 +/- 0.49   1.251% *  0.1179% (0.12   0.02   0.02) =   0.002%
          QD2   LEU  115 - HN    LYS+  74  14.32 +/- 0.46   0.119% *  0.5840% (0.61   0.02   0.02) =   0.001%
          QD1   LEU  104 - HN    LYS+  74  14.73 +/- 0.56   0.101% *  0.6717% (0.71   0.02   0.02) =   0.001%
    Distance limit 4.57 A violated in 3 structures by 0.16 A, kept.
 
    Peak 1243 (1.33, 8.52, 119.25 ppm):
    12 chemical-shift based assignments, quality = 0.341, support = 4.71, residual support = 29.1:
          QG2   THR   77 - HN    ASP-  78   3.98 +/- 0.08  87.043% * 92.1674% (0.34   4.71  29.13) =  99.953%  kept
          QB    ALA   84 - HN    ASP-  78   5.71 +/- 0.33  10.536% *  0.1771% (0.15   0.02   0.02) =   0.023%
          HB3   LEU   80 - HN    ASP-  78   7.56 +/- 0.66   2.177% *  0.7883% (0.69   0.02   0.71) =   0.021%
          QB    ALA   88 - HN    ASP-  78  12.21 +/- 0.40   0.107% *  0.8333% (0.73   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HN    ASP-  78  12.43 +/- 0.54   0.098% *  0.5145% (0.45   0.02   0.02) =   0.001%
          HB2   LEU   31 - HN    ASP-  78  18.14 +/- 0.40   0.010% *  0.9585% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HN    ASP-  78  18.58 +/- 0.54   0.009% *  1.0292% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ASP-  78  18.65 +/- 0.29   0.008% *  0.6497% (0.57   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ASP-  78  18.27 +/- 0.95   0.010% *  0.2555% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    ASP-  78  25.85 +/- 0.56   0.001% *  1.1476% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    ASP-  78  28.26 +/- 0.59   0.001% *  1.1248% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ASP-  78  27.68 +/- 0.53   0.001% *  0.3542% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1244 (0.36, 8.52, 119.25 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 0.75, residual support = 0.75:
          QB    ALA   47 - HN    ASP-  78   4.53 +/- 0.33  99.844% * 94.7883% (0.92   0.75   0.75) =  99.996%  kept
          QG1   VAL   42 - HN    ASP-  78  13.81 +/- 0.41   0.139% *  2.6840% (0.98   0.02   0.02) =   0.004%
          HG2   LYS+ 112 - HN    ASP-  78  19.57 +/- 0.87   0.017% *  2.5277% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.52 A violated in 4 structures by 0.13 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 = 0.571, support = 4.43, residual support = 25.6:
          HB    THR   77 - HN    ASP-  78   3.90 +/- 0.18  81.704% * 37.9609% (0.45   4.71  29.13) =  74.253%  kept
          HA    GLU-  79 - HN    ASP-  78   5.07 +/- 0.14  17.825% * 60.3253% (0.92   3.63  15.32) =  25.744%  kept
          HA1   GLY   51 - HN    ASP-  78  12.00 +/- 0.37   0.100% *  0.3588% (1.00   0.02   0.02) =   0.001%
          HA    SER   85 - HN    ASP-  78  10.82 +/- 0.45   0.192% *  0.1612% (0.45   0.02   0.02) =   0.001%
          HA    ASP-  44 - HN    ASP-  78  11.45 +/- 0.21   0.132% *  0.1350% (0.38   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ASP-  78  13.90 +/- 0.37   0.041% *  0.3225% (0.90   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ASP-  78  21.23 +/- 0.27   0.003% *  0.2036% (0.57   0.02   0.02) =   0.000%
          HA    THR   39 - HN    ASP-  78  26.00 +/- 0.26   0.001% *  0.3470% (0.97   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ASP-  78  29.73 +/- 4.23   0.001% *  0.1227% (0.34   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ASP-  78  26.05 +/- 0.35   0.001% *  0.0630% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1246 (4.83, 8.52, 119.25 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.57, residual support = 37.7:
      O   HA    ASP-  78 - HN    ASP-  78   2.78 +/- 0.04  99.749% * 99.1964% (1.00   4.57  37.67) =  99.999%  kept
          HA    LEU   80 - HN    ASP-  78   8.04 +/- 0.38   0.184% *  0.2115% (0.49   0.02   0.71) =   0.000%
          HA    THR   23 - HN    ASP-  78   9.83 +/- 0.37   0.053% *  0.3769% (0.87   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ASP-  78  12.48 +/- 0.39   0.013% *  0.1482% (0.34   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ASP-  78  22.30 +/- 0.25   0.000% *  0.0670% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1248 (3.69, 7.92, 121.27 ppm):
    12 chemical-shift based assignments, quality = 0.995, support = 7.88, residual support = 219.9:
      O   HA    ILE  119 - HN    ILE  119   2.80 +/- 0.02  68.597% * 58.7632% (1.00   8.19 247.74) =  86.710%  kept
      O   HA    THR  118 - HN    ILE  119   3.60 +/- 0.02  15.206% * 40.6207% (0.97   5.86  38.45) =  13.287%  kept
          HA    VAL   75 - HN    CYS   21   3.61 +/- 0.26  16.172% *  0.0079% (0.06   0.02   2.49) =   0.003%
          HA2   GLY  109 - HN    ILE  119  13.04 +/- 0.35   0.007% *  0.1042% (0.73   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    CYS   21  11.58 +/- 0.37   0.014% *  0.0407% (0.28   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    ILE  119  20.11 +/- 0.39   0.000% *  0.1287% (0.90   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    CYS   21  17.15 +/- 0.70   0.001% *  0.0450% (0.31   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    ILE  119  23.06 +/- 0.38   0.000% *  0.1423% (0.99   0.02   0.02) =   0.000%
          HA    ILE  119 - HN    CYS   21  19.29 +/- 0.34   0.001% *  0.0454% (0.32   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    CYS   21  19.06 +/- 0.52   0.001% *  0.0329% (0.23   0.02   0.02) =   0.000%
          HA    THR  118 - HN    CYS   21  21.38 +/- 0.31   0.000% *  0.0438% (0.30   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    ILE  119  19.92 +/- 0.30   0.001% *  0.0251% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1249 (3.82, 7.87, 121.30 ppm):
    12 chemical-shift based assignments, quality = 0.723, support = 5.23, residual support = 30.5:
          HB2   CYS   53 - HN    ARG+  54   3.23 +/- 0.09  91.370% * 98.0389% (0.72   5.23  30.50) =  99.981%  kept
          HD2   PRO   58 - HN    ARG+  54   6.21 +/- 0.29   1.901% *  0.4531% (0.87   0.02   0.02) =   0.010%
          HD3   PRO   52 - HN    ARG+  54   5.18 +/- 0.10   5.512% *  0.1365% (0.26   0.02   0.02) =   0.008%
          HD2   PRO   58 - HN    ASP-  62   6.72 +/- 0.11   1.152% *  0.0848% (0.16   0.02   0.02) =   0.001%
          HB2   CYS   53 - HN    ASP-  62  11.18 +/- 0.41   0.055% *  0.0702% (0.14   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ARG+  54  22.37 +/- 0.58   0.001% *  0.4258% (0.82   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ASP-  62  16.42 +/- 0.26   0.005% *  0.0255% (0.05   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ARG+  54  24.93 +/- 0.56   0.000% *  0.1674% (0.32   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ASP-  62  22.39 +/- 0.56   0.001% *  0.0767% (0.15   0.02   0.02) =   0.000%
          HA    GLU- 100 - HN    ARG+  54  29.53 +/- 0.52   0.000% *  0.4100% (0.79   0.02   0.02) =   0.000%
          HA    GLN   30 - HN    ASP-  62  19.70 +/- 0.34   0.002% *  0.0313% (0.06   0.02   0.02) =   0.000%
          HA    VAL   83 - HN    ASP-  62  23.68 +/- 0.41   0.001% *  0.0797% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 0.946, support = 1.4, residual support = 3.37:
          QG2   VAL   18 - HN    ALA   61   4.17 +/- 0.28  97.771% * 93.8675% (0.95   1.40   3.37) =  99.975%  kept
          QG2   THR   46 - HN    ALA   61   8.91 +/- 0.52   1.243% *  1.2330% (0.87   0.02   0.02) =   0.017%
          QG1   VAL   43 - HN    ALA   61  11.45 +/- 0.40   0.248% *  1.4182% (1.00   0.02   0.02) =   0.004%
          QD2   LEU   73 - HN    ALA   61  10.30 +/- 0.37   0.459% *  0.3544% (0.25   0.02   0.02) =   0.002%
          QD1   ILE   19 - HN    ALA   61  12.19 +/- 0.26   0.161% *  0.7478% (0.53   0.02   0.02) =   0.001%
          QG1   VAL   41 - HN    ALA   61  13.91 +/- 0.32   0.075% *  1.3121% (0.92   0.02   0.02) =   0.001%
          QD2   LEU  104 - HN    ALA   61  16.40 +/- 0.64   0.029% *  0.5335% (0.38   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    ALA   61  18.48 +/- 0.84   0.014% *  0.5335% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.58 A violated in 0 structures by 0.01 A, kept.
 
    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   4.49 +/- 0.12  95.350% * 98.1778% (0.92   4.39  45.72) =  99.988%  kept
          HB3   GLU-  29 - HN    ASN   35   9.66 +/- 0.26   0.993% *  0.4804% (0.99   0.02   0.02) =   0.005%
          HB2   LYS+  38 - HN    ASN   35   7.96 +/- 0.22   3.098% *  0.1348% (0.28   0.02   0.02) =   0.004%
          HG3   GLU-  29 - HN    ASN   35  10.72 +/- 0.40   0.540% *  0.3520% (0.73   0.02   0.02) =   0.002%
          HB3   GLU-  79 - HN    ASN   35  19.30 +/- 0.68   0.016% *  0.4204% (0.87   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ASN   35  24.03 +/- 0.65   0.004% *  0.4347% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1252 (2.30, 8.48, 122.27 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 3.0, residual support = 46.1:
      O   QB    MET   11 - HN    MET   11   2.88 +/- 0.37  99.797% * 95.9228% (0.69   3.00  46.12) = 100.000%  kept
          QG    GLU-  14 - HN    MET   11  10.02 +/- 1.50   0.111% *  0.1436% (0.15   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    MET   11  11.36 +/- 1.97   0.067% *  0.2321% (0.25   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    MET   11  17.71 +/- 5.52   0.017% *  0.8075% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    MET   11  21.13 +/- 5.03   0.006% *  0.1842% (0.20   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    MET   11  26.79 +/- 4.04   0.000% *  0.6760% (0.73   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    MET   11  24.67 +/- 2.55   0.000% *  0.1630% (0.18   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    MET   11  33.20 +/- 2.09   0.000% *  0.7455% (0.80   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    MET   11  36.53 +/- 3.71   0.000% *  0.8075% (0.87   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    MET   11  35.44 +/- 2.91   0.000% *  0.3176% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1253 (2.08, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 46.1:
          HG2   MET   11 - HN    MET   11   3.77 +/- 0.61  99.317% * 97.3782% (0.92   3.31  46.12) =  99.996%  kept
          HB2   GLU-  14 - HN    MET   11  11.16 +/- 1.82   0.555% *  0.6025% (0.95   0.02   0.02) =   0.003%
          QB    GLN   32 - HN    MET   11  16.10 +/- 4.39   0.113% *  0.1771% (0.28   0.02   0.02) =   0.000%
          HB2   PRO   68 - HN    MET   11  20.44 +/- 3.42   0.008% *  0.3100% (0.49   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    MET   11  24.90 +/- 4.69   0.006% *  0.1418% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    MET   11  31.79 +/- 1.81   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    MET   11  35.12 +/- 3.27   0.000% *  0.6243% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    MET   11  31.56 +/- 2.64   0.000% *  0.1418% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1254 (1.91, 8.48, 122.27 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 3.31, residual support = 46.1:
          HG3   MET   11 - HN    MET   11   2.90 +/- 0.53  99.887% * 98.0255% (0.92   3.31  46.12) =  99.999%  kept
          HB3   GLU-  14 - HN    MET   11  10.88 +/- 1.74   0.102% *  0.4900% (0.76   0.02   0.02) =   0.001%
          HB3   GLN   30 - HN    MET   11  17.88 +/- 3.73   0.009% *  0.2187% (0.34   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    MET   11  23.12 +/- 4.44   0.001% *  0.1269% (0.20   0.02   0.02) =   0.000%
          HB2   LEU   40 - HN    MET   11  23.83 +/- 2.96   0.001% *  0.0989% (0.15   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    MET   11  28.85 +/- 3.29   0.000% *  0.2875% (0.45   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    MET   11  30.33 +/- 1.72   0.000% *  0.4404% (0.69   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    MET   11  36.77 +/- 3.48   0.000% *  0.3121% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 0.949, support = 0.0195, residual support = 0.0195:
          HG2   LYS+  33 - HN    MET   11  15.16 +/- 4.23  83.480% * 22.9200% (1.00   0.02   0.02) =  89.724%  kept
          HD3   LYS+  74 - HN    MET   11  24.73 +/- 2.82   8.226% * 12.0587% (0.53   0.02   0.02) =   4.652%  kept
          QG    LYS+  81 - HN    MET   11  28.16 +/- 3.62   3.691% * 19.1444% (0.84   0.02   0.02) =   3.314%  kept
          HG    LEU  104 - HN    MET   11  29.01 +/- 3.38   1.953% *  8.6021% (0.38   0.02   0.02) =   0.788%
          HG2   LYS+ 106 - HN    MET   11  34.02 +/- 3.06   0.915% * 17.5161% (0.76   0.02   0.02) =   0.752%
          HB3   LYS+ 121 - HN    MET   11  33.05 +/- 2.08   1.139% *  8.6021% (0.38   0.02   0.02) =   0.460%
          HB3   LYS+ 111 - HN    MET   11  37.70 +/- 2.28   0.595% * 11.1564% (0.49   0.02   0.02) =   0.311%
    Distance limit 4.31 A violated in 20 structures by 10.40 A, eliminated.
    Peak unassigned.
 
    Peak 1256 (2.08, 8.37, 125.10 ppm):
    8 chemical-shift based assignments, quality = 0.72, support = 3.6, residual support = 12.2:
          HG2   MET   11 - HN    ALA   12   3.53 +/- 0.49  99.177% * 97.8493% (0.72   3.60  12.21) =  99.995%  kept
          HB2   GLU-  14 - HN    ALA   12   8.86 +/- 1.19   0.810% *  0.5422% (0.72   0.02   0.02) =   0.005%
          HB2   PRO   68 - HN    ALA   12  17.74 +/- 2.64   0.012% *  0.1511% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    ALA   12  29.15 +/- 1.93   0.000% *  0.5326% (0.71   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    ALA   12  33.10 +/- 3.04   0.000% *  0.5326% (0.71   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    ALA   12  29.47 +/- 2.45   0.000% *  0.2234% (0.30   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    ALA   12  32.06 +/- 2.57   0.000% *  0.0952% (0.13   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    ALA   12  35.39 +/- 2.54   0.000% *  0.0735% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 12.5:
      O   QB    ALA   12 - HN    ALA   12   2.76 +/- 0.21  99.972% * 93.3523% (0.68   2.29  12.52) = 100.000%  kept
          HG3   LYS+  33 - HN    ALA   12  14.30 +/- 3.90   0.018% *  0.8159% (0.68   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    ALA   12  17.98 +/- 3.30   0.004% *  0.7204% (0.60   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   12  19.52 +/- 2.05   0.001% *  0.7735% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   12  19.30 +/- 2.81   0.002% *  0.3867% (0.32   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    ALA   12  21.13 +/- 1.93   0.001% *  0.7735% (0.65   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   12  22.59 +/- 2.92   0.000% *  0.6263% (0.52   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   12  25.88 +/- 4.02   0.000% *  0.2398% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   12  30.81 +/- 3.96   0.000% *  0.6907% (0.58   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   12  31.21 +/- 2.94   0.000% *  0.5231% (0.44   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   12  31.87 +/- 2.14   0.000% *  0.3546% (0.30   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   12  35.63 +/- 1.72   0.000% *  0.6263% (0.52   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   12  29.85 +/- 2.30   0.000% *  0.1167% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1258 (1.39, 8.24, 114.58 ppm):
    13 chemical-shift based assignments, quality = 0.946, support = 1.76, residual support = 5.17:
          QB    ALA   12 - HN    SER   13   2.86 +/- 0.63  99.909% * 91.5358% (0.95   1.76   5.17) =  99.999%  kept
          HG3   LYS+  33 - HN    SER   13  13.07 +/- 3.20   0.064% *  1.0389% (0.95   0.02   0.02) =   0.001%
          HB3   LEU   73 - HN    SER   13  15.62 +/- 2.41   0.010% *  0.9173% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    SER   13  16.41 +/- 2.01   0.005% *  0.9849% (0.90   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    SER   13  16.53 +/- 1.96   0.006% *  0.4924% (0.45   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    SER   13  18.51 +/- 1.67   0.003% *  0.9849% (0.90   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    SER   13  20.96 +/- 2.16   0.001% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    SER   13  29.35 +/- 3.03   0.000% *  0.8794% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    SER   13  24.11 +/- 2.64   0.001% *  0.3053% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    SER   13  28.96 +/- 2.15   0.000% *  0.6661% (0.61   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    SER   13  29.50 +/- 1.97   0.000% *  0.4515% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    SER   13  32.69 +/- 1.41   0.000% *  0.7975% (0.73   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    SER   13  27.02 +/- 1.65   0.000% *  0.1486% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1259 (3.88, 8.32, 122.30 ppm):
    6 chemical-shift based assignments, quality = 0.451, support = 2.47, residual support = 6.65:
          QB    SER   13 - HN    GLU-  14   3.20 +/- 0.72  99.906% * 95.5772% (0.45   2.47   6.65) =  99.999%  kept
          HB3   SER   37 - HN    GLU-  14  13.54 +/- 2.19   0.050% *  0.9994% (0.58   0.02   0.02) =   0.001%
          HB    THR   39 - HN    GLU-  14  13.74 +/- 1.85   0.042% *  0.8219% (0.48   0.02   0.02) =   0.000%
          HB    THR  118 - HN    GLU-  14  25.93 +/- 0.93   0.001% *  1.1939% (0.70   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    GLU-  14  27.27 +/- 1.72   0.001% *  0.9994% (0.58   0.02   0.02) =   0.000%
          HB3   SER   82 - HN    GLU-  14  26.57 +/- 2.32   0.001% *  0.4082% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1260 (2.26, 8.32, 122.30 ppm):
    10 chemical-shift based assignments, quality = 0.521, support = 3.8, residual support = 41.8:
          QG    GLU-  14 - HN    GLU-  14   3.38 +/- 0.82  74.012% * 72.2245% (0.53   4.04  46.63) =  89.285%  kept
          QG    GLU-  15 - HN    GLU-  14   5.03 +/- 1.21  25.320% * 25.3314% (0.42   1.79   1.33) =  10.713%  kept
          QB    MET   11 - HN    GLU-  14   8.15 +/- 0.83   0.579% *  0.0925% (0.14   0.02   0.02) =   0.001%
          HB2   GLU-  29 - HN    GLU-  14  13.31 +/- 2.62   0.045% *  0.3394% (0.51   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    GLU-  14  12.79 +/- 1.31   0.037% *  0.3904% (0.58   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  14  17.17 +/- 1.37   0.006% *  0.3394% (0.51   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  14  23.57 +/- 0.99   0.001% *  0.4632% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  14  25.84 +/- 1.79   0.000% *  0.4192% (0.62   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  14  25.64 +/- 1.16   0.001% *  0.1165% (0.17   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  14  30.14 +/- 2.14   0.000% *  0.2835% (0.42   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1261 (2.08, 8.32, 122.30 ppm):
    8 chemical-shift based assignments, quality = 0.695, support = 3.87, residual support = 46.6:
      O   HB2   GLU-  14 - HN    GLU-  14   3.14 +/- 0.59  99.326% * 97.9881% (0.70   3.87  46.63) =  99.997%  kept
          HG2   MET   11 - HN    GLU-  14   8.93 +/- 1.37   0.638% *  0.5081% (0.70   0.02   0.02) =   0.003%
          HB2   PRO   68 - HN    GLU-  14  13.46 +/- 2.24   0.034% *  0.1413% (0.19   0.02   0.02) =   0.000%
          HG2   PRO   58 - HN    GLU-  14  23.84 +/- 1.01   0.001% *  0.4980% (0.68   0.02   0.02) =   0.000%
          HB2   PRO   93 - HN    GLU-  14  24.16 +/- 1.47   0.001% *  0.2089% (0.29   0.02   0.02) =   0.000%
          HG3   PRO   52 - HN    GLU-  14  27.95 +/- 1.89   0.000% *  0.4980% (0.68   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HN    GLU-  14  26.96 +/- 1.23   0.000% *  0.0890% (0.12   0.02   0.02) =   0.000%
          HB    VAL  108 - HN    GLU-  14  30.28 +/- 1.33   0.000% *  0.0688% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1262 (1.93, 8.32, 122.30 ppm):
    5 chemical-shift based assignments, quality = 0.625, support = 3.87, residual support = 46.6:
      O   HB3   GLU-  14 - HN    GLU-  14   2.98 +/- 0.37  99.787% * 98.4604% (0.62   3.87  46.63) =  99.999%  kept
          HG3   MET   11 - HN    GLU-  14   9.19 +/- 0.99   0.209% *  0.4124% (0.51   0.02   0.02) =   0.001%
          HB2   LEU   40 - HN    GLU-  14  17.69 +/- 1.44   0.003% *  0.4340% (0.53   0.02   0.02) =   0.000%
          HB3   MET   96 - HN    GLU-  14  22.18 +/- 1.68   0.001% *  0.5667% (0.70   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    GLU-  14  26.99 +/- 1.30   0.000% *  0.1264% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1263 (2.20, 7.69, 115.83 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.63, residual support = 83.8:
          QG    GLN   17 - HN    GLN   17   2.56 +/- 0.57  99.836% * 98.8399% (1.00   5.63  83.81) =  99.999%  kept
          HB    VAL   70 - HN    GLN   17   8.81 +/- 0.72   0.154% *  0.3452% (0.98   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    GLN   17  15.68 +/- 0.66   0.004% *  0.2278% (0.65   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    GLN   17  18.86 +/- 0.86   0.001% *  0.3491% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    GLN   17  17.34 +/- 1.28   0.002% *  0.0979% (0.28   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HN    GLN   17  18.18 +/- 1.57   0.002% *  0.0784% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HN    GLN   17  18.04 +/- 0.64   0.002% *  0.0617% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1264 (2.01, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 69.7:
      O   HB2   GLN   17 - HN    GLN   17   3.84 +/- 0.06  61.960% * 70.6013% (0.92   5.29  83.81) =  83.025%  kept
          QB    GLU-  15 - HN    GLN   17   4.33 +/- 0.32  31.967% * 27.9390% (0.92   2.09   0.67) =  16.951%  kept
          HB    ILE   19 - HN    GLN   17   6.13 +/- 0.54   4.314% *  0.2315% (0.80   0.02   0.02) =   0.019%
          HB3   PRO   68 - HN    GLN   17   8.94 +/- 2.45   1.268% *  0.1637% (0.57   0.02   0.02) =   0.004%
          HG2   PRO   68 - HN    GLN   17  10.04 +/- 1.61   0.308% *  0.2100% (0.73   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    GLN   17  10.43 +/- 0.82   0.175% *  0.0644% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLN   17  19.21 +/- 0.89   0.004% *  0.2885% (1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLN   17  20.51 +/- 0.57   0.003% *  0.2508% (0.87   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLN   17  24.27 +/- 0.44   0.001% *  0.2508% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1265 (1.79, 7.69, 115.83 ppm):
    9 chemical-shift based assignments, quality = 0.98, support = 5.29, residual support = 83.8:
      O   HB3   GLN   17 - HN    GLN   17   3.18 +/- 0.27  98.979% * 98.6148% (0.98   5.29  83.81) =  99.997%  kept
          HB2   LEU   71 - HN    GLN   17   8.27 +/- 0.94   0.484% *  0.2907% (0.76   0.02   0.02) =   0.001%
          QB    LYS+  65 - HN    GLN   17   8.12 +/- 0.50   0.417% *  0.2762% (0.73   0.02   0.02) =   0.001%
          QB    LYS+  66 - HN    GLN   17  10.23 +/- 0.41   0.099% *  0.0666% (0.18   0.02   0.02) =   0.000%
          HB    VAL   43 - HN    GLN   17  14.63 +/- 0.65   0.012% *  0.1058% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HN    GLN   17  17.37 +/- 1.07   0.005% *  0.1428% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    GLN   17  19.99 +/- 1.04   0.002% *  0.2307% (0.61   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    GLN   17  20.45 +/- 0.73   0.002% *  0.1428% (0.38   0.02   0.02) =   0.000%
          QD    LYS+  81 - HN    GLN   17  22.79 +/- 0.43   0.001% *  0.1297% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 7.58:
          QB    GLU-  15 - HN    GLY   16   2.68 +/- 0.55  97.267% * 95.1843% (0.98   2.54   7.58) =  99.982%  kept
          HB2   GLN   17 - HN    GLY   16   6.18 +/- 0.09   1.134% *  0.7499% (0.98   0.02  18.36) =   0.009%
          HB3   PRO   68 - HN    GLY   16   7.89 +/- 2.37   0.778% *  0.6005% (0.78   0.02   0.02) =   0.005%
          HB    ILE   19 - HN    GLY   16   7.24 +/- 0.61   0.525% *  0.4246% (0.55   0.02   0.02) =   0.002%
          HG2   PRO   68 - HN    GLY   16   9.15 +/- 1.52   0.140% *  0.3650% (0.47   0.02   0.02) =   0.001%
          HG3   GLN   30 - HN    GLY   16  10.67 +/- 0.92   0.058% *  0.3083% (0.40   0.02   0.02) =   0.000%
          HB2   GLN   30 - HN    GLY   16   9.81 +/- 1.05   0.092% *  0.1313% (0.17   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLY   16  19.81 +/- 1.03   0.001% *  0.7094% (0.92   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLY   16  21.20 +/- 0.65   0.001% *  0.4851% (0.63   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HN    GLY   16  18.70 +/- 1.91   0.002% *  0.1670% (0.22   0.02   0.02) =   0.000%
          HB    ILE  119 - HN    GLY   16  18.08 +/- 0.40   0.002% *  0.1313% (0.17   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HN    GLY   16  25.37 +/- 0.45   0.000% *  0.7433% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1267 (2.19, 8.27, 122.56 ppm):
    6 chemical-shift based assignments, quality = 0.701, support = 5.81, residual support = 51.1:
          QG    GLN   17 - HN    VAL   18   3.48 +/- 0.11  99.794% * 98.7514% (0.70   5.81  51.08) =  99.999%  kept
          HB    VAL   70 - HN    VAL   18  10.32 +/- 0.94   0.174% *  0.3028% (0.62   0.02   0.02) =   0.001%
          HB2   MET   96 - HN    VAL   18  14.66 +/- 0.41   0.019% *  0.1167% (0.24   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HN    VAL   18  18.69 +/- 0.54   0.004% *  0.3909% (0.81   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    VAL   18  20.27 +/- 0.68   0.003% *  0.3215% (0.66   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    VAL   18  17.60 +/- 0.98   0.007% *  0.1167% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (1.97, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.701, support = 4.99, residual support = 78.4:
      O   HB    VAL   18 - HN    VAL   18   2.42 +/- 0.40  99.378% * 97.8725% (0.70   4.99  78.41) =  99.999%  kept
          HB    ILE   19 - HN    VAL   18   6.20 +/- 0.15   0.490% *  0.1202% (0.21   0.02  22.56) =   0.001%
          HB2   LEU   67 - HN    VAL   18   8.47 +/- 0.87   0.104% *  0.5109% (0.91   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    VAL   18  11.99 +/- 1.56   0.020% *  0.1502% (0.27   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    VAL   18  13.87 +/- 0.45   0.005% *  0.4986% (0.89   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    VAL   18  16.89 +/- 0.67   0.002% *  0.5109% (0.91   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HN    VAL   18  17.20 +/- 0.99   0.001% *  0.2421% (0.43   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    VAL   18  18.55 +/- 0.81   0.001% *  0.0946% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 1 structures by 0.02 A, kept.
 
    Peak 1269 (1.81, 8.27, 122.56 ppm):
    10 chemical-shift based assignments, quality = 0.329, support = 5.47, residual support = 51.1:
          HB3   GLN   17 - HN    VAL   18   3.68 +/- 0.03  97.225% * 93.7827% (0.33   5.47  51.08) =  99.973%  kept
          QB    LYS+  65 - HN    VAL   18   7.04 +/- 0.56   2.243% *  0.9011% (0.87   0.02   0.02) =   0.022%
          QB    LYS+  66 - HN    VAL   18   9.99 +/- 0.57   0.260% *  0.8392% (0.81   0.02   0.02) =   0.002%
          HB2   LEU   71 - HN    VAL   18  10.47 +/- 0.52   0.192% *  0.8715% (0.84   0.02   0.02) =   0.002%
          HB    VAL   41 - HN    VAL   18  13.22 +/- 0.77   0.049% *  0.6500% (0.62   0.02   0.02) =   0.000%
          HG2   PRO   93 - HN    VAL   18  16.95 +/- 0.81   0.011% *  0.9958% (0.96   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HN    VAL   18  20.76 +/- 0.85   0.003% *  0.9696% (0.93   0.02   0.02) =   0.000%
          HG    LEU  123 - HN    VAL   18  17.16 +/- 0.61   0.010% *  0.2505% (0.24   0.02   0.02) =   0.000%
          HG12  ILE  103 - HN    VAL   18  19.69 +/- 0.57   0.004% *  0.4890% (0.47   0.02   0.02) =   0.000%
          HB3   PRO   52 - HN    VAL   18  19.58 +/- 0.64   0.004% *  0.2505% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1270 (0.76, 8.27, 122.56 ppm):
    8 chemical-shift based assignments, quality = 0.913, support = 5.28, residual support = 78.4:
          QG2   VAL   18 - HN    VAL   18   2.41 +/- 0.51  99.441% * 98.3033% (0.91   5.28  78.41) =  99.999%  kept
          QD1   ILE   19 - HN    VAL   18   7.12 +/- 0.18   0.259% *  0.2069% (0.51   0.02  22.56) =   0.001%
          QD2   LEU   73 - HN    VAL   18   7.12 +/- 0.57   0.226% *  0.0981% (0.24   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    VAL   18   9.99 +/- 0.75   0.040% *  0.3411% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   43 - HN    VAL   18  10.96 +/- 0.58   0.019% *  0.3924% (0.96   0.02   0.02) =   0.000%
          QG1   VAL   41 - HN    VAL   18  11.86 +/- 0.39   0.012% *  0.3630% (0.89   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    VAL   18  15.24 +/- 0.80   0.002% *  0.1476% (0.36   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    VAL   18  17.16 +/- 0.75   0.001% *  0.1476% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1271 (0.41, 8.27, 122.56 ppm):
    2 chemical-shift based assignments, quality = 0.837, support = 2.25, residual support = 8.16:
          QB    ALA   64 - HN    VAL   18   3.34 +/- 0.41  99.965% * 99.8615% (0.84   2.25   8.16) = 100.000%  kept
          QD1   LEU  115 - HN    VAL   18  12.91 +/- 0.57   0.035% *  0.1385% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1272 (7.24, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.441, support = 4.34, residual support = 16.5:
          HN    PHE   59 - HN    PHE   60   2.94 +/- 0.04  85.773% * 94.8608% (0.44   4.34  16.51) =  99.964%  kept
          QE    PHE   59 - HN    PHE   60   4.70 +/- 0.30   5.394% *  0.2803% (0.28   0.02  16.51) =   0.019%
          QE    PHE   59 - HN    THR  118   4.45 +/- 0.33   7.934% *  0.1584% (0.16   0.02   5.94) =   0.015%
          HN    HIS  122 - HN    THR  118   6.63 +/- 0.08   0.650% *  0.2091% (0.21   0.02   2.28) =   0.002%
          HN    PHE   59 - HN    THR  118  10.10 +/- 0.31   0.053% *  0.2470% (0.25   0.02   5.94) =   0.000%
          HN    LYS+  66 - HN    PHE   60   8.52 +/- 0.20   0.146% *  0.0809% (0.08   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    PHE   60  11.92 +/- 0.37   0.020% *  0.3700% (0.37   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    GLU-  15  13.08 +/- 0.54   0.011% *  0.1734% (0.18   0.02   0.02) =   0.000%
          QE    PHE   59 - HN    GLU-  15  16.49 +/- 0.82   0.003% *  0.6006% (0.61   0.02   0.02) =   0.000%
          HN    PHE   59 - HN    GLU-  15  19.20 +/- 0.77   0.001% *  0.9366% (0.95   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    PHE   60  17.39 +/- 0.67   0.002% *  0.3356% (0.34   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    GLU-  15  20.04 +/- 1.58   0.001% *  0.7190% (0.73   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    GLU-  15  20.93 +/- 0.74   0.001% *  0.7929% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    THR  118  13.39 +/- 0.31   0.010% *  0.0457% (0.05   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    THR  118  18.27 +/- 0.48   0.001% *  0.1896% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1273 (7.72, 8.20, 120.98 ppm):
    18 chemical-shift based assignments, quality = 0.467, support = 5.35, residual support = 41.7:
          HN    ALA   61 - HN    PHE   60   2.64 +/- 0.09  99.970% * 95.0902% (0.47   5.35  41.70) = 100.000%  kept
          HN    ALA   61 - HN    GLU-  15  14.97 +/- 0.83   0.003% *  0.7615% (1.00   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    GLU-  15  15.51 +/- 0.97   0.003% *  0.5819% (0.76   0.02   0.02) =   0.000%
          HN    ALA   61 - HN    THR  118  12.90 +/- 0.26   0.007% *  0.2008% (0.26   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    PHE   60  15.86 +/- 0.53   0.002% *  0.3522% (0.46   0.02   0.02) =   0.000%
          HN    THR   39 - HN    GLU-  15  14.23 +/- 1.61   0.005% *  0.1507% (0.20   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    PHE   60  16.12 +/- 0.53   0.002% *  0.3083% (0.40   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    THR  118  16.52 +/- 0.47   0.002% *  0.1742% (0.23   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    THR  118  17.75 +/- 0.97   0.001% *  0.1990% (0.26   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    PHE   60  18.89 +/- 0.34   0.001% *  0.2716% (0.36   0.02   0.02) =   0.000%
          HE3   TRP   87 - HN    GLU-  15  22.17 +/- 1.34   0.000% *  0.6605% (0.87   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    PHE   60  17.56 +/- 0.38   0.001% *  0.0622% (0.08   0.02   0.02) =   0.000%
          HN    ALA   91 - HN    GLU-  15  27.08 +/- 0.95   0.000% *  0.7547% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    GLU-  15  21.80 +/- 1.16   0.000% *  0.1334% (0.18   0.02   0.02) =   0.000%
          HN    THR   39 - HN    PHE   60  19.73 +/- 0.35   0.001% *  0.0703% (0.09   0.02   0.02) =   0.000%
          HN    TRP   27 - HN    THR  118  25.42 +/- 0.30   0.000% *  0.1535% (0.20   0.02   0.02) =   0.000%
          HD1   TRP   87 - HN    THR  118  20.37 +/- 0.44   0.000% *  0.0352% (0.05   0.02   0.02) =   0.000%
          HN    THR   39 - HN    THR  118  21.38 +/- 0.35   0.000% *  0.0397% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1274 (2.97, 8.20, 120.98 ppm):
    15 chemical-shift based assignments, quality = 0.467, support = 4.63, residual support = 69.2:
      O   HB3   PHE   60 - HN    PHE   60   2.40 +/- 0.27  99.911% * 95.5092% (0.47   4.63  69.18) = 100.000%  kept
          QE    LYS+ 106 - HN    THR  118   9.95 +/- 1.12   0.032% *  0.2203% (0.25   0.02   2.31) =   0.000%
          HB2   PHE   97 - HN    THR  118   9.32 +/- 0.33   0.035% *  0.1225% (0.14   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    GLU-  15  15.44 +/- 0.93   0.002% *  0.8832% (1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HN    THR  118  12.04 +/- 0.65   0.007% *  0.2329% (0.26   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    PHE   60  12.38 +/- 0.34   0.006% *  0.2169% (0.25   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    PHE   60  14.76 +/- 0.77   0.002% *  0.3899% (0.44   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    GLU-  15  15.70 +/- 0.98   0.001% *  0.4299% (0.49   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    GLU-  15  16.79 +/- 1.56   0.001% *  0.2202% (0.25   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    PHE   60  16.75 +/- 0.41   0.001% *  0.2006% (0.23   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    GLU-  15  20.48 +/- 0.95   0.000% *  0.4647% (0.53   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HN    GLU-  15  23.92 +/- 1.15   0.000% *  0.8354% (0.95   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    PHE   60  22.37 +/- 0.55   0.000% *  0.1028% (0.12   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    THR  118  22.87 +/- 0.32   0.000% *  0.1134% (0.13   0.02   0.02) =   0.000%
          HB2   ASN   35 - HN    THR  118  24.88 +/- 0.46   0.000% *  0.0581% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 3.99, residual support = 16.5:
          HB3   PHE   59 - HN    PHE   60   3.36 +/- 0.62  98.912% * 96.9548% (0.39   3.99  16.51) =  99.997%  kept
          HB3   PHE   59 - HN    THR  118   8.16 +/- 0.75   1.074% *  0.2748% (0.22   0.02   5.94) =   0.003%
          HB3   TRP   49 - HN    PHE   60  17.03 +/- 0.22   0.009% *  0.4662% (0.37   0.02   0.02) =   0.000%
          HB3   PHE   59 - HN    GLU-  15  19.86 +/- 0.89   0.003% *  1.0419% (0.84   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    GLU-  15  27.53 +/- 1.38   0.001% *  0.9988% (0.80   0.02   0.02) =   0.000%
          HB3   TRP   49 - HN    THR  118  23.79 +/- 0.38   0.001% *  0.2634% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.09 A, kept.
 
    Peak 1276 (3.37, 8.20, 120.98 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 1277 (8.66, 8.17, 120.70 ppm):
    6 chemical-shift based assignments, quality = 0.168, support = 2.99, residual support = 5.19:
        T HN    SER  117 - HN    THR  118   2.55 +/- 0.10  99.985% * 95.6969% (0.17   2.99   5.19) = 100.000%  kept
        T HN    SER  117 - HN    PHE   60  11.77 +/- 0.27   0.011% *  1.1609% (0.30   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    PHE   60  14.20 +/- 0.35   0.004% *  1.2915% (0.34   0.02   0.02) =   0.000%
          HN    GLY   16 - HN    THR  118  20.75 +/- 0.52   0.000% *  0.7132% (0.19   0.02   0.02) =   0.000%
          HN    SER   82 - HN    PHE   60  21.97 +/- 0.23   0.000% *  0.7328% (0.19   0.02   0.02) =   0.000%
          HN    SER   82 - HN    THR  118  26.48 +/- 0.40   0.000% *  0.4047% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1278 (0.24, 8.17, 120.70 ppm):
    2 chemical-shift based assignments, quality = 0.129, support = 4.52, residual support = 36.3:
          QG2   THR  118 - HN    THR  118   3.44 +/- 0.13  98.800% * 99.2044% (0.13   4.52  36.30) =  99.990%  kept
          QG2   THR  118 - HN    PHE   60   7.24 +/- 0.20   1.200% *  0.7956% (0.23   0.02   0.02) =   0.010%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1279 (3.90, 8.17, 120.70 ppm):
    6 chemical-shift based assignments, quality = 0.118, support = 4.03, residual support = 48.3:
      O   HB    THR  118 - HN    THR  118   2.02 +/- 0.05  78.849% * 14.6132% (0.05   3.66  36.30) =  56.347%  kept
      O   HA    PHE   60 - HN    PHE   60   2.83 +/- 0.02  10.492% * 77.9943% (0.22   4.64  69.18) =  40.018%  kept
          QB    SER  117 - HN    THR  118   2.89 +/- 0.26  10.646% *  6.9819% (0.03   3.15   5.19) =   3.635%  kept
          HB    THR  118 - HN    PHE   60   9.56 +/- 0.46   0.008% *  0.1446% (0.09   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    THR  118  10.64 +/- 0.22   0.004% *  0.1858% (0.12   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  12.27 +/- 0.36   0.002% *  0.0802% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1280 (3.69, 8.17, 120.70 ppm):
    14 chemical-shift based assignments, quality = 0.144, support = 3.76, residual support = 36.4:
      O   HA    THR  118 - HN    THR  118   2.85 +/- 0.02  91.013% * 36.5834% (0.14   3.69  36.30) =  95.349%  kept
          HA    ILE  119 - HN    THR  118   5.14 +/- 0.07   2.661% * 60.8280% (0.17   5.23  38.45) =   4.635%  kept
          HD3   PRO   58 - HN    PHE   60   4.49 +/- 0.16   6.127% *  0.0822% (0.06   0.02   0.02) =   0.014%
          HA    ILE  119 - HN    PHE   60   8.76 +/- 0.41   0.111% *  0.4212% (0.30   0.02   0.02) =   0.001%
          HA    THR  118 - HN    PHE   60  11.74 +/- 0.35   0.019% *  0.3589% (0.26   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    PHE   60  12.42 +/- 0.28   0.013% *  0.2106% (0.15   0.02   0.02) =   0.000%
          HA2   GLY  109 - HN    THR  118  11.75 +/- 0.33   0.019% *  0.1163% (0.08   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    PHE   60  13.17 +/- 0.25   0.009% *  0.1763% (0.13   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    PHE   60  16.27 +/- 0.25   0.003% *  0.3923% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   58 - HN    THR  118  11.57 +/- 0.32   0.021% *  0.0454% (0.03   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    PHE   60  16.57 +/- 0.34   0.002% *  0.3038% (0.22   0.02   0.02) =   0.000%
          HA    ALA   84 - HN    THR  118  19.84 +/- 0.42   0.001% *  0.1678% (0.12   0.02   0.02) =   0.000%
          HB2   TRP   49 - HN    THR  118  23.06 +/- 0.33   0.000% *  0.2166% (0.16   0.02   0.02) =   0.000%
          HA    VAL   75 - HN    THR  118  20.62 +/- 0.23   0.001% *  0.0973% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (4.35, 8.18, 120.93 ppm):
    18 chemical-shift based assignments, quality = 0.946, support = 0.0196, residual support = 15.7:
      O   HA    PHE   59 - HN    PHE   60   3.63 +/- 0.01  80.846% * 16.0661% (0.99   0.02  16.51) =  95.174%  kept
          HA    ILE   56 - HN    PHE   60   4.79 +/- 0.27  16.070% *  2.4844% (0.15   0.02   0.02) =   2.926%  kept
          HA    ASP- 113 - HN    THR  118   6.62 +/- 0.22   2.272% *  7.8708% (0.48   0.02   0.02) =   1.310%
          HA    PHE   59 - HN    THR  118   8.39 +/- 0.31   0.551% * 12.9479% (0.80   0.02   5.94) =   0.523%
          HA    ASP- 113 - HN    PHE   60  13.06 +/- 0.35   0.038% *  9.7663% (0.60   0.02   0.02) =   0.027%
          HA    ILE   56 - HN    THR  118  10.14 +/- 0.20   0.172% *  2.0022% (0.12   0.02   0.02) =   0.025%
          HA    TRP   87 - HN    PHE   60  18.07 +/- 0.40   0.005% *  9.7663% (0.60   0.02   0.02) =   0.004%
          HA    TRP   87 - HN    THR  118  18.60 +/- 0.50   0.005% *  7.8708% (0.48   0.02   0.02) =   0.003%
          HA    LYS+  99 - HN    THR  118  16.66 +/- 0.36   0.009% *  3.6080% (0.22   0.02   0.02) =   0.002%
          HA    PHE   59 - HN    GLU-  15  18.69 +/- 0.66   0.004% *  6.3895% (0.39   0.02   0.02) =   0.002%
          HA    LYS+  99 - HN    PHE   60  17.67 +/- 0.34   0.006% *  4.4769% (0.28   0.02   0.02) =   0.002%
          HA    ASN   35 - HN    GLU-  15  16.96 +/- 1.61   0.009% *  1.1215% (0.07   0.02   0.02) =   0.001%
          HA    LYS+  99 - HN    GLU-  15  18.15 +/- 1.37   0.006% *  1.7805% (0.11   0.02   0.02) =   0.001%
          HA    ASN   35 - HN    PHE   60  21.73 +/- 0.43   0.002% *  2.8199% (0.17   0.02   0.02) =   0.000%
          HA    TRP   87 - HN    GLU-  15  24.26 +/- 1.25   0.001% *  3.8841% (0.24   0.02   0.02) =   0.000%
          HA    ASN   35 - HN    THR  118  23.33 +/- 0.43   0.001% *  2.2726% (0.14   0.02   0.02) =   0.000%
          HA    ILE   56 - HN    GLU-  15  21.46 +/- 0.90   0.002% *  0.9881% (0.06   0.02   0.02) =   0.000%
          HA    ASP- 113 - HN    GLU-  15  28.95 +/- 0.79   0.000% *  3.8841% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 20 structures by 0.44 A, eliminated.
    Peak unassigned.
 
    Peak 1283 (3.91, 8.18, 120.93 ppm):
    15 chemical-shift based assignments, quality = 0.843, support = 4.35, residual support = 57.0:
      O   HA    PHE   60 - HN    PHE   60   2.83 +/- 0.02  51.882% * 78.8830% (0.96   4.64  69.18) =  81.001%  kept
          QB    SER  117 - HN    THR  118   2.89 +/- 0.26  47.823% * 20.0725% (0.36   3.15   5.19) =  18.999%  kept
          HA    LYS+ 121 - HN    THR  118   6.97 +/- 0.26   0.240% *  0.0498% (0.14   0.02   6.92) =   0.000%
          HA    PHE   60 - HN    THR  118  10.64 +/- 0.22   0.019% *  0.2742% (0.77   0.02   0.02) =   0.000%
          QB    SER  117 - HN    PHE   60  12.27 +/- 0.36   0.008% *  0.1581% (0.44   0.02   0.02) =   0.000%
          HB    THR   94 - HN    PHE   60  11.35 +/- 0.33   0.013% *  0.0477% (0.13   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    PHE   60  13.26 +/- 0.35   0.005% *  0.0785% (0.22   0.02   0.02) =   0.000%
          HA    PHE   60 - HN    GLU-  15  14.95 +/- 0.70   0.003% *  0.1353% (0.38   0.02   0.02) =   0.000%
          HB    THR   94 - HN    THR  118  13.32 +/- 0.29   0.005% *  0.0384% (0.11   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    PHE   60  14.92 +/- 0.36   0.002% *  0.0617% (0.17   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    THR  118  20.18 +/- 0.24   0.000% *  0.0633% (0.18   0.02   0.02) =   0.000%
          QB    SER  117 - HN    GLU-  15  24.67 +/- 0.49   0.000% *  0.0629% (0.18   0.02   0.02) =   0.000%
          HB    THR   94 - HN    GLU-  15  22.66 +/- 1.03   0.000% *  0.0190% (0.05   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HN    GLU-  15  24.29 +/- 0.84   0.000% *  0.0246% (0.07   0.02   0.02) =   0.000%
          HA2   GLY   51 - HN    GLU-  15  25.92 +/- 1.38   0.000% *  0.0312% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1286 (2.26, 8.18, 120.93 ppm):
    30 chemical-shift based assignments, quality = 0.449, support = 3.1, residual support = 15.3:
          QG    GLU-  15 - HN    GLU-  15   3.29 +/- 0.61  49.419% * 13.3744% (0.32   2.29  10.02) =  36.258%  kept
          QG    GLU-  14 - HN    GLU-  15   3.49 +/- 0.68  39.131% * 16.1401% (0.36   2.40   1.33) =  34.647%  kept
          HG12  ILE  119 - HN    THR  118   4.40 +/- 0.23   8.095% * 65.4398% (0.72   4.94  38.45) =  29.059%  kept
          HB2   ASP-  44 - HN    PHE   60   6.50 +/- 0.49   0.930% *  0.3287% (0.89   0.02   0.34) =   0.017%
          HG12  ILE  119 - HN    PHE   60   7.00 +/- 0.53   0.665% *  0.3287% (0.89   0.02   0.02) =   0.012%
          HB3   PHE   72 - HN    PHE   60   8.36 +/- 0.58   0.192% *  0.3537% (0.96   0.02   9.59) =   0.004%
          HB2   ASP- 105 - HN    THR  118   6.03 +/- 0.29   1.328% *  0.0400% (0.11   0.02   4.62) =   0.003%
          HB3   PHE   72 - HN    GLU-  15  10.11 +/- 1.03   0.084% *  0.1407% (0.38   0.02   0.02) =   0.001%
          QB    MET   11 - HN    GLU-  15  10.47 +/- 1.25   0.076% *  0.0497% (0.13   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    THR  118  13.98 +/- 0.53   0.009% *  0.2649% (0.72   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    PHE   60  15.32 +/- 0.75   0.006% *  0.2934% (0.79   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    PHE   60  16.38 +/- 1.46   0.004% *  0.3383% (0.91   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    PHE   60  15.91 +/- 0.37   0.004% *  0.3632% (0.98   0.02   0.02) =   0.000%
          HB3   PHE   72 - HN    THR  118  15.32 +/- 0.56   0.005% *  0.2850% (0.77   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    PHE   60  14.34 +/- 0.45   0.008% *  0.1507% (0.41   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HN    GLU-  15  14.84 +/- 0.93   0.007% *  0.1307% (0.35   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    GLU-  15  13.53 +/- 1.05   0.011% *  0.0767% (0.21   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    THR  118  17.74 +/- 1.65   0.003% *  0.2927% (0.79   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    PHE   60  12.41 +/- 0.29   0.018% *  0.0496% (0.13   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    THR  118  16.98 +/- 0.98   0.003% *  0.1214% (0.33   0.02   0.02) =   0.000%
          QG    GLU-  15 - HN    THR  118  21.00 +/- 1.05   0.001% *  0.2365% (0.64   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    PHE   60  21.37 +/- 0.61   0.001% *  0.1928% (0.52   0.02   0.02) =   0.000%
          HG12  ILE  119 - HN    GLU-  15  20.77 +/- 0.89   0.001% *  0.1307% (0.35   0.02   0.02) =   0.000%
          QG    GLU-  14 - HN    THR  118  23.74 +/- 1.52   0.000% *  0.2726% (0.74   0.02   0.02) =   0.000%
          QB    MET   11 - HN    PHE   60  24.15 +/- 1.63   0.000% *  0.1250% (0.34   0.02   0.02) =   0.000%
          QG    GLN   90 - HN    GLU-  15  24.27 +/- 1.44   0.000% *  0.1445% (0.39   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HN    THR  118  27.83 +/- 0.55   0.000% *  0.1554% (0.42   0.02   0.02) =   0.000%
          HG3   MET   92 - HN    GLU-  15  28.09 +/- 1.63   0.000% *  0.0599% (0.16   0.02   0.02) =   0.000%
          QB    MET   11 - HN    THR  118  30.64 +/- 1.54   0.000% *  0.1007% (0.27   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HN    GLU-  15  23.05 +/- 0.87   0.000% *  0.0197% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1287 (1.99, 8.18, 120.93 ppm):
    30 chemical-shift based assignments, quality = 0.227, support = 1.71, residual support = 6.54:
      O   QB    GLU-  15 - HN    GLU-  15   3.05 +/- 0.25  84.839% *  9.8538% (0.06   2.08  10.02) =  63.902%  kept
          QB    GLU- 114 - HN    THR  118   4.55 +/- 0.31   8.622% * 44.3001% (0.48   1.17   0.43) =  29.197%  kept
          HB2   LEU  115 - HN    THR  118   5.42 +/- 0.12   2.908% * 30.2357% (0.69   0.56   0.13) =   6.720%  kept
          HG3   PRO   58 - HN    PHE   60   6.60 +/- 0.13   0.894% *  1.3878% (0.89   0.02   0.02) =   0.095%
          HB2   LEU  115 - HN    PHE   60   7.72 +/- 0.35   0.365% *  1.3423% (0.86   0.02   0.02) =   0.037%
          HB    ILE   19 - HN    GLU-  15   7.77 +/- 0.91   0.464% *  0.4228% (0.27   0.02   0.02) =   0.015%
          HB2   GLN   17 - HN    GLU-  15   6.42 +/- 0.60   1.220% *  0.0950% (0.06   0.02   0.67) =   0.009%
          HB    VAL   18 - HN    PHE   60   8.04 +/- 0.56   0.299% *  0.3859% (0.25   0.02   3.05) =   0.009%
          HB2   LEU   67 - HN    PHE   60   9.91 +/- 0.83   0.084% *  0.7532% (0.48   0.02   0.02) =   0.005%
          QB    GLU- 114 - HN    PHE   60  10.92 +/- 0.65   0.047% *  0.9386% (0.60   0.02   0.02) =   0.003%
          HB    ILE   19 - HN    PHE   60  12.71 +/- 0.23   0.017% *  1.0630% (0.68   0.02   0.02) =   0.001%
          HG3   PRO   58 - HN    THR  118  12.90 +/- 0.43   0.016% *  1.1185% (0.72   0.02   0.02) =   0.001%
          HB    VAL   18 - HN    GLU-  15   9.89 +/- 0.69   0.086% *  0.1535% (0.10   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    GLU-  15  11.57 +/- 1.09   0.041% *  0.2996% (0.19   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    GLU-  15  12.63 +/- 1.73   0.024% *  0.4703% (0.30   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    PHE   60  14.40 +/- 0.50   0.008% *  1.1826% (0.76   0.02   0.02) =   0.001%
          HB2   GLN   17 - HN    PHE   60  11.42 +/- 0.62   0.034% *  0.2388% (0.15   0.02   0.02) =   0.001%
          HB2   LEU   67 - HN    THR  118  13.80 +/- 1.08   0.011% *  0.6070% (0.39   0.02   0.02) =   0.001%
          HG2   PRO   68 - HN    THR  118  17.00 +/- 1.81   0.004% *  0.9531% (0.61   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    PHE   60  15.29 +/- 0.41   0.006% *  0.2388% (0.15   0.02   0.02) =   0.000%
          HB    VAL   18 - HN    THR  118  17.45 +/- 1.20   0.003% *  0.3110% (0.20   0.02   0.02) =   0.000%
          HB    ILE   19 - HN    THR  118  20.40 +/- 0.20   0.001% *  0.8567% (0.55   0.02   0.02) =   0.000%
          HG3   PRO   58 - HN    GLU-  15  21.33 +/- 0.90   0.001% *  0.5519% (0.35   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    GLU-  15  18.52 +/- 1.13   0.002% *  0.1711% (0.11   0.02   0.02) =   0.000%
          HB2   LEU  115 - HN    GLU-  15  23.82 +/- 0.94   0.000% *  0.5339% (0.34   0.02   0.02) =   0.000%
          HB2   GLN   17 - HN    THR  118  20.53 +/- 0.57   0.001% *  0.1924% (0.12   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    PHE   60  23.88 +/- 0.34   0.000% *  0.4303% (0.28   0.02   0.02) =   0.000%
          QB    GLU-  15 - HN    THR  118  21.07 +/- 0.75   0.001% *  0.1924% (0.12   0.02   0.02) =   0.000%
          QB    GLU- 114 - HN    GLU-  15  24.21 +/- 0.91   0.000% *  0.3733% (0.24   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HN    THR  118  30.64 +/- 0.31   0.000% *  0.3468% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1288 (1.69, 8.20, 120.98 ppm):
    30 chemical-shift based assignments, quality = 0.102, support = 0.0178, residual support = 0.0772:
          QG1   ILE   56 - HN    PHE   60   4.55 +/- 0.23  89.717% *  0.7483% (0.09   0.02   0.02) =  78.272%  kept
          HG3   PRO   93 - HN    PHE   60   9.18 +/- 0.46   1.431% *  2.8896% (0.36   0.02   0.02) =   4.820%  kept
          HB2   LEU  123 - HN    THR  118   8.93 +/- 0.51   1.696% *  1.7109% (0.21   0.02   0.02) =   3.383%  kept
          QD    LYS+ 106 - HN    THR  118  10.00 +/- 1.23   1.249% *  1.7847% (0.22   0.02   2.31) =   2.599%  kept
          HD2   LYS+ 111 - HN    THR  118   9.97 +/- 0.85   0.904% *  2.0944% (0.26   0.02   0.02) =   2.208%
          HB2   LEU   73 - HN    GLU-  15  12.68 +/- 1.03   0.231% *  7.8187% (0.97   0.02   0.02) =   2.107%
          QG1   ILE   56 - HN    THR  118   7.93 +/- 0.29   3.377% *  0.4228% (0.05   0.02   0.02) =   1.665%
          HB2   LEU   73 - HN    PHE   60  12.16 +/- 0.31   0.262% *  3.6490% (0.45   0.02   0.90) =   1.117%
          HB3   MET   92 - HN    PHE   60  12.49 +/- 0.41   0.222% *  3.7811% (0.47   0.02   0.02) =   0.977%
          HD2   LYS+ 111 - HN    PHE   60  14.07 +/- 0.56   0.107% *  3.7063% (0.46   0.02   0.02) =   0.461%
          HB2   LEU  123 - HN    PHE   60  13.95 +/- 0.61   0.116% *  3.0277% (0.37   0.02   0.02) =   0.410%
          QD    LYS+ 106 - HN    PHE   60  14.40 +/- 0.65   0.096% *  3.1583% (0.39   0.02   0.02) =   0.355%
          QD    LYS+  99 - HN    GLU-  15  17.08 +/- 1.23   0.037% *  6.4873% (0.80   0.02   0.02) =   0.281%
          QD    LYS+  99 - HN    THR  118  13.48 +/- 0.47   0.140% *  1.7109% (0.21   0.02   0.02) =   0.280%
          HG3   PRO   93 - HN    THR  118  13.83 +/- 0.23   0.117% *  1.6329% (0.20   0.02   0.02) =   0.224%
          HB3   MET   92 - HN    THR  118  14.64 +/- 0.92   0.090% *  2.1367% (0.26   0.02   0.02) =   0.223%
          QD    LYS+  99 - HN    PHE   60  15.71 +/- 0.37   0.056% *  3.0277% (0.37   0.02   0.02) =   0.198%
          QD    LYS+  38 - HN    GLU-  15  18.02 +/- 1.74   0.031% *  1.8037% (0.22   0.02   0.02) =   0.065%
          HB2   LEU   73 - HN    THR  118  18.23 +/- 0.40   0.023% *  2.0621% (0.25   0.02   0.02) =   0.054%
          HB2   LEU  123 - HN    GLU-  15  22.58 +/- 1.30   0.007% *  6.4873% (0.80   0.02   0.02) =   0.051%
          QD    LYS+ 102 - HN    THR  118  17.14 +/- 0.57   0.034% *  1.2097% (0.15   0.02   0.02) =   0.048%
          QD    LYS+ 106 - HN    GLU-  15  22.96 +/- 1.10   0.006% *  6.7671% (0.84   0.02   0.02) =   0.047%
          HG3   PRO   93 - HN    GLU-  15  23.84 +/- 1.03   0.005% *  6.1915% (0.76   0.02   0.02) =   0.034%
          QG1   ILE   56 - HN    GLU-  15  19.33 +/- 0.74   0.016% *  1.6033% (0.20   0.02   0.02) =   0.030%
          HB3   MET   92 - HN    GLU-  15  26.34 +/- 1.34   0.003% *  8.1017% (1.00   0.02   0.02) =   0.025%
          QD    LYS+ 102 - HN    PHE   60  21.13 +/- 0.40   0.009% *  2.1407% (0.26   0.02   0.02) =   0.024%
          QD    LYS+ 102 - HN    GLU-  15  24.25 +/- 1.29   0.004% *  4.5868% (0.57   0.02   0.02) =   0.023%
          HD2   LYS+ 111 - HN    GLU-  15  30.41 +/- 0.96   0.001% *  7.9413% (0.98   0.02   0.02) =   0.010%
          QD    LYS+  38 - HN    PHE   60  22.74 +/- 0.26   0.006% *  0.8418% (0.10   0.02   0.02) =   0.006%
          QD    LYS+  38 - HN    THR  118  22.50 +/- 0.39   0.006% *  0.4757% (0.06   0.02   0.02) =   0.003%
    Distance limit 4.34 A violated in 7 structures by 0.21 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1289 (1.41, 8.20, 120.98 ppm):
    33 chemical-shift based assignments, quality = 0.244, support = 2.64, residual support = 41.5:
          QB    ALA   61 - HN    PHE   60   4.17 +/- 0.06  77.074% * 72.4795% (0.25   2.65  41.70) =  99.561%  kept
          HG12  ILE   19 - HN    GLU-  15   6.53 +/- 0.98   8.358% *  1.8602% (0.84   0.02   0.02) =   0.277%
          HD3   LYS+ 121 - HN    THR  118   7.17 +/- 1.42   6.725% *  0.5422% (0.24   0.02   6.92) =   0.065%
          QB    ALA   12 - HN    GLU-  15   7.68 +/- 0.57   2.283% *  0.8358% (0.38   0.02   0.02) =   0.034%
          QB    ALA  110 - HN    PHE   60   7.74 +/- 0.47   2.037% *  0.7943% (0.36   0.02   0.02) =   0.029%
          HB3   LYS+  74 - HN    PHE   60   9.89 +/- 0.56   0.472% *  0.9322% (0.42   0.02   0.02) =   0.008%
          QG    LYS+  66 - HN    PHE   60   8.41 +/- 0.62   1.261% *  0.2314% (0.10   0.02   0.02) =   0.005%
          HB3   LYS+  74 - HN    GLU-  15  12.22 +/- 0.80   0.132% *  1.9973% (0.90   0.02   0.02) =   0.005%
          HB3   LEU   67 - HN    GLU-  15  11.63 +/- 1.22   0.225% *  0.8358% (0.38   0.02   0.02) =   0.003%
          QB    ALA   61 - HN    GLU-  15  11.95 +/- 0.82   0.155% *  1.1717% (0.53   0.02   0.02) =   0.003%
          QB    ALA  110 - HN    THR  118  10.23 +/- 0.24   0.361% *  0.4489% (0.20   0.02   0.02) =   0.003%
          HB3   LEU   67 - HN    PHE   60  11.08 +/- 0.56   0.233% *  0.3901% (0.18   0.02   0.02) =   0.002%
          QB    ALA   61 - HN    THR  118  12.44 +/- 0.24   0.110% *  0.3090% (0.14   0.02   0.02) =   0.001%
          HG12  ILE   19 - HN    PHE   60  14.79 +/- 0.20   0.039% *  0.8682% (0.39   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - HN    PHE   60  15.29 +/- 0.78   0.033% *  0.9595% (0.43   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    THR  118  11.11 +/- 0.51   0.228% *  0.1308% (0.06   0.02   0.02) =   0.001%
          QG    LYS+  66 - HN    GLU-  15  14.10 +/- 0.58   0.054% *  0.4958% (0.22   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    PHE   60  14.94 +/- 0.33   0.037% *  0.6724% (0.30   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    GLU-  15  17.17 +/- 1.05   0.017% *  1.4407% (0.65   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    THR  118  14.42 +/- 0.34   0.046% *  0.3800% (0.17   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    GLU-  15  19.36 +/- 1.35   0.008% *  1.6172% (0.73   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    THR  118  14.22 +/- 0.76   0.052% *  0.2204% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    GLU-  15  21.13 +/- 1.26   0.005% *  2.2074% (0.99   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    PHE   60  17.75 +/- 1.10   0.014% *  0.7548% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    PHE   60  19.06 +/- 0.87   0.009% *  1.0302% (0.46   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    GLU-  15  21.15 +/- 0.80   0.005% *  1.7020% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    THR  118  18.88 +/- 0.53   0.009% *  0.5268% (0.24   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    GLU-  15  24.54 +/- 1.29   0.002% *  2.0558% (0.92   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    PHE   60  20.17 +/- 1.79   0.008% *  0.3901% (0.18   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    THR  118  22.44 +/- 0.23   0.003% *  0.4906% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    THR  118  24.38 +/- 0.92   0.002% *  0.5822% (0.26   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    THR  118  24.02 +/- 0.96   0.002% *  0.4265% (0.19   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    THR  118  26.64 +/- 1.35   0.001% *  0.2204% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 3.83, residual support = 26.1:
      O   QB    ALA   34 - HN    ALA   34   2.09 +/- 0.07  99.258% * 96.3382% (0.89   3.83  26.09) =  99.997%  kept
          QG2   THR   23 - HN    LEU   80   4.98 +/- 0.22   0.567% *  0.4977% (0.89   0.02  10.99) =   0.003%
          QG2   THR   39 - HN    ALA   34   6.96 +/- 0.30   0.077% *  0.1559% (0.28   0.02   3.84) =   0.000%
          QG2   THR   77 - HN    LEU   80   7.21 +/- 0.64   0.074% *  0.1118% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    ALA   34   8.84 +/- 0.27   0.018% *  0.2949% (0.52   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  14.58 +/- 0.12   0.001% *  0.5556% (0.99   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  13.95 +/- 0.63   0.001% *  0.3646% (0.65   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    LEU   80  12.18 +/- 0.85   0.003% *  0.1396% (0.25   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  14.68 +/- 0.37   0.001% *  0.4503% (0.80   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  17.78 +/- 0.25   0.000% *  0.4071% (0.72   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  16.59 +/- 0.33   0.000% *  0.1248% (0.22   0.02   0.02) =   0.000%
          QG2   THR   39 - HN    LEU   80  19.44 +/- 0.38   0.000% *  0.1396% (0.25   0.02   0.02) =   0.000%
          QB    ALA   91 - HN    ALA   34  21.22 +/- 0.51   0.000% *  0.1559% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HN    LEU   80  25.21 +/- 0.72   0.000% *  0.2642% (0.47   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1292 (4.12, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.565, support = 3.63, residual support = 26.1:
      O   HA    ALA   34 - HN    ALA   34   2.79 +/- 0.02  97.091% * 91.2108% (0.56   3.63  26.09) =  99.986%  kept
          HA    LYS+  81 - HN    LEU   80   5.24 +/- 0.14   2.235% *  0.4183% (0.47   0.02  30.93) =   0.011%
          HA    ASN   28 - HN    ALA   34   7.48 +/- 0.13   0.261% *  0.6784% (0.76   0.02   0.02) =   0.002%
          HA    GLU-  36 - HN    ALA   34   7.10 +/- 0.07   0.356% *  0.3649% (0.41   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    LEU   80  11.55 +/- 0.48   0.020% *  0.6076% (0.68   0.02   1.84) =   0.000%
          HA1   GLY  101 - HN    ALA   34  11.25 +/- 1.80   0.033% *  0.3332% (0.37   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   80  19.79 +/- 0.81   0.001% *  0.7793% (0.88   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  19.75 +/- 0.43   0.001% *  0.4501% (0.51   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  19.95 +/- 0.40   0.001% *  0.4670% (0.52   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  22.03 +/- 0.35   0.000% *  0.6446% (0.72   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  23.35 +/- 1.02   0.000% *  0.8194% (0.92   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  22.49 +/- 0.77   0.000% *  0.5773% (0.65   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  21.28 +/- 2.19   0.001% *  0.2984% (0.34   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  26.06 +/- 0.60   0.000% *  0.8701% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  23.48 +/- 0.48   0.000% *  0.3269% (0.37   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  25.75 +/- 0.44   0.000% *  0.2213% (0.25   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  25.70 +/- 0.84   0.000% *  0.1983% (0.22   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  33.21 +/- 0.81   0.000% *  0.7339% (0.82   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1293 (4.00, 8.08, 121.56 ppm):
    22 chemical-shift based assignments, quality = 0.96, support = 6.77, residual support = 45.4:
      O   HA    LYS+  33 - HN    ALA   34   3.63 +/- 0.00  72.016% * 77.3436% (0.99   6.85  47.56) =  95.516%  kept
          HA    GLN   32 - HN    ALA   34   4.83 +/- 0.09  13.118% * 19.8458% (0.34   5.10   0.41) =   4.464%  kept
          HB2   SER   37 - HN    ALA   34   5.36 +/- 0.86  11.304% *  0.0399% (0.17   0.02   1.85) =   0.008%
          HB2   SER   82 - HN    LEU   80   6.71 +/- 0.48   2.002% *  0.1932% (0.85   0.02   0.02) =   0.007%
          HA    GLU-  29 - HN    ALA   34   7.41 +/- 0.17   1.002% *  0.2260% (0.99   0.02   0.02) =   0.004%
          HA    VAL   70 - HN    ALA   34   9.22 +/- 0.38   0.282% *  0.1826% (0.80   0.02   0.02) =   0.001%
          HA    SER   48 - HN    LEU   80  10.57 +/- 0.69   0.131% *  0.1239% (0.54   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  12.10 +/- 0.46   0.055% *  0.2235% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  14.30 +/- 0.39   0.020% *  0.2024% (0.89   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  13.35 +/- 0.40   0.030% *  0.0766% (0.34   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  16.15 +/- 0.46   0.010% *  0.2002% (0.88   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  19.72 +/- 0.77   0.003% *  0.2157% (0.94   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  19.74 +/- 0.43   0.003% *  0.2024% (0.89   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  15.77 +/- 0.71   0.011% *  0.0404% (0.18   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  17.55 +/- 0.47   0.006% *  0.0697% (0.30   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  22.08 +/- 0.62   0.001% *  0.1635% (0.72   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  20.89 +/- 0.48   0.002% *  0.0856% (0.37   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  24.69 +/- 0.44   0.001% *  0.1826% (0.80   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  23.85 +/- 0.56   0.001% *  0.1383% (0.61   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  26.47 +/- 0.76   0.000% *  0.1635% (0.72   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  22.63 +/- 0.79   0.001% *  0.0358% (0.16   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  25.88 +/- 0.28   0.001% *  0.0451% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1294 (1.37, 8.08, 121.56 ppm):
    30 chemical-shift based assignments, quality = 0.762, support = 5.74, residual support = 47.5:
          HG3   LYS+  33 - HN    ALA   34   3.29 +/- 0.28  92.350% * 92.8553% (0.76   5.74  47.56) =  99.979%  kept
          QB    ALA   84 - HN    LEU   80   5.20 +/- 0.35   6.670% *  0.2299% (0.54   0.02   0.02) =   0.018%
          HB3   LEU   73 - HN    ALA   34   8.53 +/- 0.22   0.341% *  0.3796% (0.89   0.02   0.02) =   0.002%
          HB    VAL   42 - HN    ALA   34  10.94 +/- 0.35   0.075% *  0.3535% (0.83   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   80  11.23 +/- 0.70   0.063% *  0.3400% (0.80   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    ALA   34   8.93 +/- 0.33   0.269% *  0.0741% (0.17   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    ALA   34  10.87 +/- 0.81   0.089% *  0.2060% (0.49   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    ALA   34  13.95 +/- 2.88   0.035% *  0.1588% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    ALA   34  15.46 +/- 1.17   0.011% *  0.3907% (0.92   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    ALA   34  15.22 +/- 0.38   0.010% *  0.2567% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   80  15.60 +/- 0.91   0.009% *  0.2452% (0.58   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    ALA   34  17.79 +/- 0.85   0.004% *  0.4223% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    LEU   80  14.03 +/- 0.69   0.017% *  0.0945% (0.22   0.02   0.02) =   0.000%
          HB    VAL   42 - HN    LEU   80  17.50 +/- 0.77   0.004% *  0.3166% (0.75   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HN    ALA   34  14.99 +/- 0.57   0.012% *  0.1055% (0.25   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   80  16.56 +/- 1.19   0.007% *  0.1845% (0.44   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   80  18.89 +/- 1.26   0.004% *  0.2897% (0.68   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    ALA   34  19.04 +/- 0.78   0.003% *  0.3535% (0.83   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   80  20.17 +/- 1.13   0.002% *  0.3782% (0.89   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   80  21.00 +/- 3.07   0.004% *  0.1423% (0.34   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   80  16.12 +/- 0.45   0.007% *  0.0664% (0.16   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    ALA   34  16.48 +/- 0.54   0.006% *  0.0741% (0.17   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    ALA   34  21.48 +/- 0.60   0.001% *  0.2738% (0.65   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    ALA   34  20.27 +/- 1.11   0.002% *  0.1588% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HN    LEU   80  23.23 +/- 0.87   0.001% *  0.3166% (0.75   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   80  24.18 +/- 0.86   0.001% *  0.3499% (0.82   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   80  25.81 +/- 0.76   0.000% *  0.3658% (0.86   0.02   0.02) =   0.000%
          HB2   LEU   63 - HN    LEU   80  20.25 +/- 0.79   0.002% *  0.0664% (0.16   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    ALA   34  28.78 +/- 0.34   0.000% *  0.4085% (0.96   0.02   0.02) =   0.000%
          QB    ALA  124 - HN    LEU   80  28.50 +/- 0.80   0.000% *  0.1423% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 5 structures by 0.12 A, kept.
 
    Peak 1295 (1.87, 8.08, 121.56 ppm):
    26 chemical-shift based assignments, quality = 0.724, support = 5.94, residual support = 47.6:
          QB    LYS+  33 - HN    ALA   34   2.75 +/- 0.18  96.436% * 93.0620% (0.72   5.94  47.56) =  99.988%  kept
          HB3   GLN   30 - HN    ALA   34   5.40 +/- 0.35   1.947% *  0.2965% (0.69   0.02   0.30) =   0.006%
          QB    LYS+  81 - HN    LEU   80   5.61 +/- 0.33   1.497% *  0.3353% (0.78   0.02  30.93) =   0.006%
          HB3   LYS+  38 - HN    ALA   34   9.44 +/- 0.27   0.061% *  0.3744% (0.87   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   80  11.65 +/- 1.98   0.027% *  0.3095% (0.72   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  12.59 +/- 0.55   0.011% *  0.2655% (0.61   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  16.26 +/- 0.58   0.003% *  0.2807% (0.65   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  17.05 +/- 0.28   0.002% *  0.3871% (0.89   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  15.69 +/- 0.90   0.003% *  0.2034% (0.47   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  17.19 +/- 0.50   0.002% *  0.3467% (0.80   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  16.21 +/- 0.37   0.002% *  0.2271% (0.52   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  16.43 +/- 0.50   0.002% *  0.2101% (0.49   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  17.31 +/- 0.40   0.002% *  0.2618% (0.61   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  18.72 +/- 0.73   0.001% *  0.3731% (0.86   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  19.62 +/- 0.44   0.001% *  0.3744% (0.87   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  20.23 +/- 1.40   0.001% *  0.2188% (0.51   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  20.69 +/- 0.43   0.001% *  0.2034% (0.47   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  23.63 +/- 0.29   0.000% *  0.4165% (0.96   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  23.55 +/- 1.26   0.000% *  0.3456% (0.80   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  22.12 +/- 0.70   0.000% *  0.2345% (0.54   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  25.60 +/- 0.56   0.000% *  0.3353% (0.78   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  25.29 +/- 0.38   0.000% *  0.2271% (0.52   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  23.95 +/- 0.39   0.000% *  0.1472% (0.34   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  23.84 +/- 0.71   0.000% *  0.1319% (0.30   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  27.77 +/- 0.69   0.000% *  0.2443% (0.56   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  27.69 +/- 0.85   0.000% *  0.1882% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 0.488, support = 7.32, residual support = 78.0:
      O   HA    LEU   80 - HN    LEU   80   2.54 +/- 0.25  94.193% * 49.3338% (0.50   7.47  79.55) =  98.055%  kept
          HA    THR   23 - HN    LEU   80   4.19 +/- 0.17   5.134% * 15.5139% (0.85   1.38  10.99) =   1.681%
          HA    ASP-  78 - HN    LEU   80   6.74 +/- 0.32   0.364% * 34.3970% (0.94   2.74   0.71) =   0.264%
          HB    THR   23 - HN    LEU   80   6.70 +/- 0.21   0.303% *  0.0943% (0.36   0.02  10.99) =   0.001%
          HA    THR   23 - HN    ALA   34  15.72 +/- 0.14   0.002% *  0.1863% (0.70   0.02   0.02) =   0.000%
          HB    THR   23 - HN    ALA   34  15.45 +/- 0.16   0.002% *  0.0780% (0.29   0.02   0.02) =   0.000%
          HA    LEU   80 - HN    ALA   34  17.58 +/- 0.89   0.001% *  0.1093% (0.41   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  23.01 +/- 0.28   0.000% *  0.2072% (0.78   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    ALA   34  18.79 +/- 0.29   0.001% *  0.0364% (0.14   0.02   0.02) =   0.000%
          HA    ASP- 105 - HN    LEU   80  23.01 +/- 0.59   0.000% *  0.0440% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 5.34, residual support = 47.5:
      O   HA    GLU-  79 - HN    LEU   80   3.14 +/- 0.28  98.962% * 95.9551% (0.76   5.34  47.47) =  99.998%  kept
          HA    THR   39 - HN    ALA   34   8.28 +/- 0.31   0.337% *  0.3218% (0.68   0.02   3.84) =   0.001%
          HB    THR   77 - HN    LEU   80   8.15 +/- 0.62   0.528% *  0.1385% (0.29   0.02   0.02) =   0.001%
          HA    SER   85 - HN    LEU   80  10.36 +/- 0.30   0.091% *  0.1385% (0.29   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    LEU   80  12.91 +/- 0.65   0.028% *  0.1119% (0.24   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    ALA   34  13.94 +/- 0.33   0.015% *  0.1525% (0.32   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    LEU   80  17.69 +/- 0.68   0.004% *  0.4398% (0.93   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    LEU   80  18.24 +/- 0.70   0.003% *  0.4245% (0.89   0.02   0.02) =   0.000%
          HA    MET   11 - HN    ALA   34  17.04 +/- 4.06   0.014% *  0.0826% (0.17   0.02   0.02) =   0.000%
          HA    ASP-  44 - HN    ALA   34  15.03 +/- 0.16   0.009% *  0.0925% (0.20   0.02   0.02) =   0.000%
          HA    ALA   57 - HN    ALA   34  21.13 +/- 0.28   0.001% *  0.3637% (0.77   0.02   0.02) =   0.000%
          HA    GLU-  79 - HN    ALA   34  20.37 +/- 0.42   0.001% *  0.2971% (0.63   0.02   0.02) =   0.000%
          HA    ILE  103 - HN    LEU   80  20.20 +/- 0.54   0.002% *  0.1845% (0.39   0.02   0.02) =   0.000%
          HA    THR   39 - HN    LEU   80  23.70 +/- 0.48   0.001% *  0.3892% (0.82   0.02   0.02) =   0.000%
          HA    SER   85 - HN    ALA   34  20.66 +/- 0.46   0.001% *  0.1145% (0.24   0.02   0.02) =   0.000%
          HA    MET   11 - HN    LEU   80  26.64 +/- 4.63   0.001% *  0.0999% (0.21   0.02   0.02) =   0.000%
          HB    THR   77 - HN    ALA   34  21.43 +/- 0.39   0.001% *  0.1145% (0.24   0.02   0.02) =   0.000%
          HA1   GLY   51 - HN    ALA   34  28.90 +/- 0.32   0.000% *  0.3510% (0.74   0.02   0.02) =   0.000%
          HA    SER  117 - HN    ALA   34  25.66 +/- 0.30   0.000% *  0.1032% (0.22   0.02   0.02) =   0.000%
          HA    SER  117 - HN    LEU   80  28.72 +/- 0.73   0.000% *  0.1248% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1298 (2.15, 8.09, 121.65 ppm):
    12 chemical-shift based assignments, quality = 0.79, support = 5.38, residual support = 47.5:
          HB3   GLU-  79 - HN    LEU   80   2.25 +/- 0.60  98.627% * 96.6475% (0.79   5.38  47.47) =  99.995%  kept
          QB    GLU-  36 - HN    ALA   34   5.64 +/- 0.26   1.143% *  0.3188% (0.70   0.02   0.02) =   0.004%
          HB3   GLU-  29 - HN    ALA   34   8.28 +/- 0.36   0.086% *  0.3547% (0.78   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   34   9.83 +/- 0.53   0.056% *  0.2717% (0.60   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  11.11 +/- 1.97   0.023% *  0.3969% (0.87   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    ALA   34   9.26 +/- 0.29   0.049% *  0.1097% (0.24   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  13.66 +/- 0.92   0.007% *  0.4290% (0.94   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  12.95 +/- 0.35   0.007% *  0.3286% (0.72   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  18.01 +/- 0.65   0.001% *  0.2969% (0.65   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  20.24 +/- 0.46   0.001% *  0.3856% (0.85   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  23.56 +/- 0.87   0.000% *  0.3281% (0.72   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HN    LEU   80  25.70 +/- 0.54   0.000% *  0.1327% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 4.0, residual support = 18.6:
        T HN    ASN   35 - HN    ALA   34   2.65 +/- 0.06  99.990% * 97.8979% (0.80   4.00  18.58) = 100.000%  kept
          HN    ALA   12 - HN    ALA   34  16.55 +/- 3.93   0.004% *  0.6056% (0.99   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  14.48 +/- 0.27   0.004% *  0.1360% (0.22   0.02   0.02) =   0.000%
        T HN    ASN   35 - HN    LEU   80  18.55 +/- 0.44   0.001% *  0.4382% (0.72   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  26.03 +/- 3.97   0.000% *  0.5425% (0.89   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  18.01 +/- 0.56   0.001% *  0.1218% (0.20   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  23.53 +/- 0.80   0.000% *  0.1218% (0.20   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  24.55 +/- 0.37   0.000% *  0.1360% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1301 (7.29, 8.08, 121.56 ppm):
    10 chemical-shift based assignments, quality = 0.892, support = 5.1, residual support = 30.9:
          HN    LYS+  81 - HN    LEU   80   3.49 +/- 0.38  99.010% * 98.3372% (0.89   5.10  30.93) =  99.999%  kept
          HE3   TRP   27 - HN    LEU   80   8.94 +/- 0.72   0.558% *  0.0860% (0.20   0.02  10.41) =   0.000%
          HE3   TRP   27 - HN    ALA   34   9.10 +/- 0.41   0.353% *  0.0960% (0.22   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  13.81 +/- 0.32   0.031% *  0.3454% (0.80   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    LEU   80  14.08 +/- 0.62   0.032% *  0.3094% (0.72   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  19.79 +/- 0.54   0.003% *  0.4304% (1.00   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  17.61 +/- 0.42   0.008% *  0.1331% (0.31   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    LEU   80  21.15 +/- 0.79   0.003% *  0.0677% (0.16   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  24.07 +/- 0.78   0.001% *  0.1192% (0.28   0.02   0.02) =   0.000%
          QD    PHE   55 - HN    ALA   34  25.41 +/- 0.39   0.001% *  0.0755% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1302 (3.85, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.601, support = 1.08, residual support = 1.56:
          HB3   SER   37 - HN    ALA   34   4.72 +/- 0.42  36.057% * 33.4608% (0.45   1.49   1.85) =  48.116%  kept
          HA    GLN   30 - HN    ALA   34   4.41 +/- 0.24  51.580% * 18.0993% (0.80   0.45   0.30) =  37.231%  kept
          HB    THR   39 - HN    ALA   34   5.94 +/- 0.35   9.053% * 40.2995% (0.61   1.33   3.84) =  14.550%  kept
          HB3   SER   82 - HN    LEU   80   7.24 +/- 0.46   2.769% *  0.8272% (0.82   0.02   0.02) =   0.091%
          QB    SER   13 - HN    ALA   34  12.76 +/- 3.10   0.292% *  0.6472% (0.65   0.02   0.02) =   0.008%
          HA    ILE   89 - HN    LEU   80  11.93 +/- 0.71   0.137% *  0.4018% (0.40   0.02   0.02) =   0.002%
          HA    GLN   30 - HN    LEU   80  14.98 +/- 0.42   0.033% *  0.7175% (0.72   0.02   0.02) =   0.001%
          HD3   PRO   52 - HN    LEU   80  16.90 +/- 0.72   0.017% *  0.7773% (0.78   0.02   0.02) =   0.001%
          HB3   SER   82 - HN    ALA   34  18.51 +/- 0.94   0.009% *  0.9236% (0.92   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    LEU   80  15.80 +/- 0.80   0.025% *  0.3363% (0.34   0.02   0.02) =   0.000%
          QB    SER   13 - HN    LEU   80  21.22 +/- 2.23   0.005% *  0.5797% (0.58   0.02   0.02) =   0.000%
          HA    ILE   89 - HN    ALA   34  20.09 +/- 0.28   0.006% *  0.4485% (0.45   0.02   0.02) =   0.000%
          HB    THR   39 - HN    LEU   80  21.68 +/- 0.50   0.004% *  0.5435% (0.54   0.02   0.02) =   0.000%
          HB3   SER   37 - HN    LEU   80  21.92 +/- 0.54   0.003% *  0.4018% (0.40   0.02   0.02) =   0.000%
          HB2   CYS   53 - HN    ALA   34  23.35 +/- 0.58   0.002% *  0.3755% (0.37   0.02   0.02) =   0.000%
          HD3   PRO   52 - HN    ALA   34  27.51 +/- 0.27   0.001% *  0.8678% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HN    ALA   34  21.42 +/- 0.34   0.004% *  0.1544% (0.15   0.02   0.02) =   0.000%
          HB    THR  118 - HN    LEU   80  23.22 +/- 0.73   0.002% *  0.1383% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 1.77, residual support = 5.07:
          HA    LEU   31 - HN    ALA   34   3.23 +/- 0.13  96.426% * 97.9731% (0.76   1.77   5.07) =  99.981%  kept
          HA    THR   77 - HN    LEU   80   5.93 +/- 0.71   3.561% *  0.4881% (0.34   0.02   0.02) =   0.018%
          HA    LEU   31 - HN    LEU   80  14.84 +/- 0.47   0.011% *  0.9939% (0.68   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  19.22 +/- 0.27   0.002% *  0.5449% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1304 (4.85, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.227, support = 1.68, residual support = 8.69:
          HA    THR   23 - HN    LEU   80   4.19 +/- 0.17  88.403% * 17.5391% (0.18   1.38  10.99) =  77.600%  kept
          HA    ASP-  78 - HN    LEU   80   6.74 +/- 0.32   5.623% * 79.1843% (0.40   2.74   0.71) =  22.285%  kept
          HA    VAL   41 - HN    ALA   34   6.94 +/- 0.34   4.662% *  0.2516% (0.17   0.02   9.05) =   0.059%
          HA    PHE   45 - HN    LEU   80   8.86 +/- 0.70   1.231% *  0.8840% (0.61   0.02   0.02) =   0.054%
          HA    PHE   45 - HN    ALA   34  16.04 +/- 0.20   0.029% *  0.9870% (0.69   0.02   0.02) =   0.001%
          HA    THR   23 - HN    ALA   34  15.72 +/- 0.14   0.032% *  0.2844% (0.20   0.02   0.02) =   0.000%
          HA    VAL   41 - HN    LEU   80  17.58 +/- 0.59   0.017% *  0.2254% (0.16   0.02   0.02) =   0.000%
          HA    ASP-  78 - HN    ALA   34  23.01 +/- 0.28   0.003% *  0.6442% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 3 structures by 0.14 A, kept.
 
    Peak 1305 (2.91, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.604, support = 4.3, residual support = 32.7:
          QE    LYS+  33 - HN    ALA   34   4.58 +/- 0.32  59.473% * 38.3680% (0.52   5.13  47.56) =  68.070%  kept
          HB2   ASP-  76 - HN    LEU   80   5.20 +/- 0.64  32.724% * 26.2668% (0.75   2.47   1.12) =  25.641%  kept
          HB2   ASP-  78 - HN    LEU   80   6.63 +/- 0.28   6.218% * 33.8808% (0.88   2.72   0.71) =   6.284%  kept
          HB2   ASN   28 - HN    ALA   34   9.71 +/- 0.19   0.611% *  0.1168% (0.41   0.02   0.02) =   0.002%
          HB2   ASN   28 - HN    LEU   80  11.12 +/- 0.51   0.282% *  0.1046% (0.37   0.02   1.84) =   0.001%
          HB2   ASN   69 - HN    ALA   34  12.63 +/- 0.73   0.132% *  0.2063% (0.72   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HN    LEU   80  10.16 +/- 0.38   0.464% *  0.0344% (0.12   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    LEU   80  16.87 +/- 1.32   0.024% *  0.1339% (0.47   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  18.56 +/- 0.49   0.013% *  0.2373% (0.83   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  17.95 +/- 1.31   0.017% *  0.0790% (0.28   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  16.10 +/- 0.61   0.030% *  0.0384% (0.14   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  22.56 +/- 0.40   0.004% *  0.2784% (0.98   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  21.46 +/- 1.18   0.005% *  0.0707% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  26.59 +/- 0.92   0.001% *  0.1847% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1306 (2.33, 8.08, 121.56 ppm):
    14 chemical-shift based assignments, quality = 0.435, support = 5.24, residual support = 47.5:
          HB2   GLU-  79 - HN    LEU   80   2.91 +/- 0.75  99.139% * 94.4007% (0.44   5.24  47.47) =  99.997%  kept
          HG3   GLU-  36 - HN    ALA   34   7.35 +/- 0.47   0.781% *  0.2820% (0.34   0.02   0.02) =   0.002%
          HG3   GLU-  25 - HN    LEU   80  11.64 +/- 0.37   0.049% *  0.7258% (0.88   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  14.80 +/- 0.24   0.011% *  0.8103% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  16.40 +/- 0.79   0.005% *  0.6423% (0.78   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  16.27 +/- 1.72   0.007% *  0.2526% (0.30   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  18.54 +/- 0.70   0.002% *  0.4024% (0.49   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  20.64 +/- 0.82   0.001% *  0.3044% (0.37   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  22.27 +/- 0.57   0.001% *  0.3399% (0.41   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  26.24 +/- 0.78   0.000% *  0.7171% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  23.52 +/- 0.59   0.001% *  0.2526% (0.30   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  23.72 +/- 0.69   0.001% *  0.2779% (0.34   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  24.47 +/- 0.39   0.001% *  0.3103% (0.37   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  25.99 +/- 0.73   0.000% *  0.2820% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1307 (2.14, 8.08, 121.56 ppm):
    16 chemical-shift based assignments, quality = 0.775, support = 5.38, residual support = 47.5:
          HB3   GLU-  79 - HN    LEU   80   2.25 +/- 0.60  96.148% * 97.2550% (0.78   5.38  47.47) =  99.993%  kept
          QB    GLU-  36 - HN    ALA   34   5.64 +/- 0.26   1.052% *  0.3724% (0.80   0.02   0.02) =   0.004%
          QB    GLN   32 - HN    ALA   34   5.16 +/- 0.13   1.560% *  0.0815% (0.17   0.02   0.41) =   0.001%
          HB    VAL   24 - HN    LEU   80   6.05 +/- 0.67   1.059% *  0.0927% (0.20   0.02  10.62) =   0.001%
          HB3   GLU-  29 - HN    ALA   34   8.28 +/- 0.36   0.080% *  0.2264% (0.49   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    ALA   34   9.83 +/- 0.53   0.050% *  0.0815% (0.17   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    LEU   80  11.11 +/- 1.97   0.021% *  0.1286% (0.28   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    ALA   34  11.49 +/- 1.12   0.012% *  0.2264% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HN    LEU   80  13.66 +/- 0.92   0.006% *  0.2028% (0.44   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HN    LEU   80  12.95 +/- 0.35   0.006% *  0.0730% (0.16   0.02   0.02) =   0.000%
          HB    VAL   24 - HN    ALA   34  14.53 +/- 0.34   0.003% *  0.1035% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HN    ALA   34  18.01 +/- 0.65   0.001% *  0.4034% (0.87   0.02   0.02) =   0.000%
          QB    GLN   32 - HN    LEU   80  15.16 +/- 0.57   0.002% *  0.0730% (0.16   0.02   0.02) =   0.000%
          QB    GLU-  36 - HN    LEU   80  20.24 +/- 0.46   0.000% *  0.3336% (0.72   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HN    LEU   80  24.84 +/- 0.75   0.000% *  0.2028% (0.44   0.02   0.02) =   0.000%
          HB2   GLN   90 - HN    ALA   34  23.56 +/- 0.87   0.000% *  0.1436% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1308 (0.43, 8.08, 121.56 ppm):
    4 chemical-shift based assignments, quality = 0.682, support = 0.16, residual support = 0.319:
          QG1   VAL   75 - HN    LEU   80   4.17 +/- 1.03  99.363% * 68.5168% (0.68   0.16   0.32) =  99.910%  kept
          QG1   VAL   75 - HN    ALA   34  12.29 +/- 0.48   0.593% *  9.5699% (0.76   0.02   0.02) =   0.083%
          QD1   LEU  115 - HN    LEU   80  18.80 +/- 0.78   0.025% * 10.3536% (0.82   0.02   0.02) =   0.004%
          QD1   LEU  115 - HN    ALA   34  19.93 +/- 0.48   0.019% * 11.5596% (0.92   0.02   0.02) =   0.003%
    Distance limit 4.58 A violated in 2 structures by 0.24 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1309 (0.57, 8.08, 121.56 ppm):
    18 chemical-shift based assignments, quality = 0.29, support = 6.94, residual support = 79.5:
          QD2   LEU   80 - HN    LEU   80   2.84 +/- 0.92  35.274% * 62.2817% (0.40   6.24  79.55) =  50.549%  kept
          QD1   LEU   80 - HN    LEU   80   2.25 +/- 0.64  63.625% * 33.7740% (0.18   7.66  79.55) =  49.444%  kept
          QD1   LEU   73 - HN    ALA   34   4.92 +/- 0.21   0.362% *  0.4154% (0.83   0.02   0.02) =   0.003%
          QG2   VAL   41 - HN    ALA   34   4.50 +/- 0.46   0.708% *  0.1697% (0.34   0.02   9.05) =   0.003%
          QD2   LEU   98 - HN    ALA   34   8.06 +/- 0.65   0.019% *  0.0984% (0.20   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU   80  10.13 +/- 0.42   0.004% *  0.3721% (0.75   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   34  11.82 +/- 0.55   0.002% *  0.2230% (0.45   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  13.93 +/- 0.66   0.001% *  0.4154% (0.83   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  14.53 +/- 0.89   0.001% *  0.4461% (0.89   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   34  12.04 +/- 0.52   0.002% *  0.1240% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    LEU   80  12.69 +/- 0.48   0.001% *  0.1520% (0.30   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ALA   34  13.17 +/- 1.01   0.001% *  0.0984% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    LEU   80  13.18 +/- 0.74   0.001% *  0.0882% (0.18   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  16.83 +/- 0.64   0.000% *  0.3721% (0.75   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  18.87 +/- 0.83   0.000% *  0.3995% (0.80   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  19.31 +/- 0.53   0.000% *  0.2421% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  19.99 +/- 0.64   0.000% *  0.2168% (0.44   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  20.42 +/- 0.77   0.000% *  0.1111% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1310 (0.82, 8.08, 121.56 ppm):
    6 chemical-shift based assignments, quality = 0.639, support = 0.0195, residual support = 0.0195:
          QD2   LEU  123 - HN    ALA   34  19.69 +/- 0.73  18.537% * 31.5414% (1.00   0.02   0.02) =  43.788%  kept
          HB3   LEU  104 - HN    ALA   34  16.25 +/- 0.43  58.124% *  7.0378% (0.22   0.02   0.02) =  30.636%  kept
          HG3   LYS+ 121 - HN    ALA   34  21.30 +/- 0.53  11.539% * 14.1725% (0.45   0.02   0.02) =  12.247%  kept
          QD2   LEU  123 - HN    LEU   80  25.44 +/- 0.84   3.986% * 28.2508% (0.89   0.02   0.02) =   8.434%  kept
          HB3   LEU  104 - HN    LEU   80  24.26 +/- 0.63   5.296% *  6.3036% (0.20   0.02   0.02) =   2.500%  kept
          HG3   LYS+ 121 - HN    LEU   80  27.51 +/- 0.95   2.518% * 12.6939% (0.40   0.02   0.02) =   2.394%
    Distance limit 4.41 A violated in 20 structures by 10.49 A, eliminated.
    Peak unassigned.
 
    Peak 1311 (1.87, 8.09, 121.65 ppm):
    26 chemical-shift based assignments, quality = 0.74, support = 5.94, residual support = 47.6:
          QB    LYS+  33 - HN    ALA   34   2.75 +/- 0.18  96.436% * 93.4043% (0.74   5.94  47.56) =  99.990%  kept
          QB    LYS+  81 - HN    LEU   80   5.61 +/- 0.33   1.497% *  0.4013% (0.94   0.02  30.93) =   0.007%
          HB3   GLN   30 - HN    ALA   34   5.40 +/- 0.35   1.947% *  0.1367% (0.32   0.02   0.30) =   0.003%
          HB3   LYS+  38 - HN    ALA   34   9.44 +/- 0.27   0.061% *  0.2017% (0.47   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    LEU   80  11.65 +/- 1.98   0.027% *  0.3942% (0.93   0.02   0.02) =   0.000%
          HB3   GLN   30 - HN    LEU   80  12.59 +/- 0.55   0.011% *  0.1653% (0.39   0.02   0.02) =   0.000%
          QB    LYS+  33 - HN    LEU   80  16.26 +/- 0.58   0.003% *  0.3804% (0.89   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    LEU   80  17.19 +/- 0.50   0.002% *  0.4022% (0.95   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    ALA   34  16.21 +/- 0.37   0.002% *  0.2663% (0.63   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HN    ALA   34  17.05 +/- 0.28   0.002% *  0.3325% (0.78   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    ALA   34  16.43 +/- 0.50   0.002% *  0.2541% (0.60   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    ALA   34  17.31 +/- 0.40   0.002% *  0.2884% (0.68   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    LEU   80  15.69 +/- 0.90   0.003% *  0.1118% (0.26   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    LEU   80  18.72 +/- 0.73   0.001% *  0.3073% (0.72   0.02   0.02) =   0.000%
          QB    LYS+  81 - HN    ALA   34  19.62 +/- 0.44   0.001% *  0.3318% (0.78   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    LEU   80  20.23 +/- 1.40   0.001% *  0.3359% (0.79   0.02   0.02) =   0.000%
          HB    ILE  103 - HN    LEU   80  20.69 +/- 0.43   0.001% *  0.3220% (0.76   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HN    LEU   80  22.12 +/- 0.70   0.000% *  0.3488% (0.82   0.02   0.02) =   0.000%
          HB3   GLN   90 - HN    ALA   34  23.55 +/- 1.26   0.000% *  0.3259% (0.77   0.02   0.02) =   0.000%
          HB    ILE   56 - HN    ALA   34  23.63 +/- 0.29   0.000% *  0.2541% (0.60   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HN    LEU   80  25.60 +/- 0.56   0.000% *  0.2439% (0.57   0.02   0.02) =   0.000%
          HG3   PRO   68 - HN    LEU   80  27.69 +/- 0.85   0.000% *  0.3073% (0.72   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HN    ALA   34  27.77 +/- 0.69   0.000% *  0.2777% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    LEU   80  23.84 +/- 0.71   0.000% *  0.0621% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HN    ALA   34  25.29 +/- 0.38   0.000% *  0.0925% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   58 - HN    ALA   34  23.95 +/- 0.39   0.000% *  0.0513% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 3.83, residual support = 26.1:
      O   QB    ALA   34 - HN    ALA   34   2.09 +/- 0.07  99.326% * 91.9071% (0.24   3.83  26.09) =  99.991%  kept
          QG2   THR   23 - HN    LEU   80   4.98 +/- 0.22   0.567% *  1.2158% (0.61   0.02  10.99) =   0.008%
          QG2   THR   77 - HN    LEU   80   7.21 +/- 0.64   0.074% *  1.5049% (0.76   0.02   0.02) =   0.001%
          HG2   LYS+  38 - HN    ALA   34   8.27 +/- 0.27   0.026% *  0.2398% (0.12   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    LEU   80  12.44 +/- 0.35   0.002% *  0.7727% (0.39   0.02   0.02) =   0.000%
          QG2   THR   23 - HN    ALA   34  14.58 +/- 0.12   0.001% *  1.0053% (0.51   0.02   0.02) =   0.000%
          QG2   THR   77 - HN    ALA   34  16.59 +/- 0.33   0.000% *  1.2443% (0.63   0.02   0.02) =   0.000%
          QB    ALA   34 - HN    LEU   80  14.68 +/- 0.37   0.001% *  0.5801% (0.29   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    LEU   80  13.95 +/- 0.63   0.001% *  0.3291% (0.17   0.02   0.02) =   0.000%
          QB    ALA   88 - HN    ALA   34  16.93 +/- 0.52   0.000% *  0.6388% (0.32   0.02   0.02) =   0.000%
          QG2   ILE   56 - HN    ALA   34  17.78 +/- 0.25   0.000% *  0.2721% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    LEU   80  24.62 +/- 0.68   0.000% *  0.2900% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1313 (1.43, 8.09, 121.65 ppm):
    28 chemical-shift based assignments, quality = 0.7, support = 6.73, residual support = 79.5:
          HG    LEU   80 - HN    LEU   80   2.94 +/- 0.76  71.713% * 71.4557% (0.76   6.73  79.55) =  88.289%  kept
      O   HB2   LEU   80 - HN    LEU   80   3.61 +/- 0.14  27.373% * 24.8257% (0.26   6.73  79.55) =  11.708%  kept
          HG    LEU   73 - HN    ALA   34   6.95 +/- 0.23   0.590% *  0.1833% (0.65   0.02   0.02) =   0.002%
          HG12  ILE   19 - HN    ALA   34   8.71 +/- 0.53   0.151% *  0.1507% (0.54   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    ALA   34  10.55 +/- 0.85   0.056% *  0.0748% (0.27   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    ALA   34  13.04 +/- 0.51   0.013% *  0.2189% (0.78   0.02   0.02) =   0.000%
          HG    LEU   73 - HN    LEU   80  13.46 +/- 0.56   0.012% *  0.2217% (0.79   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   80  11.21 +/- 0.57   0.034% *  0.0409% (0.15   0.02   0.02) =   0.000%
          HG    LEU   80 - HN    ALA   34  15.09 +/- 0.84   0.008% *  0.1757% (0.63   0.02   0.02) =   0.000%
          HG12  ILE   19 - HN    LEU   80  15.13 +/- 0.47   0.006% *  0.1823% (0.65   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    LEU   80  16.04 +/- 0.70   0.004% *  0.2028% (0.72   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    ALA   34  15.61 +/- 1.34   0.004% *  0.1593% (0.57   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    LEU   80  17.13 +/- 0.61   0.002% *  0.2510% (0.89   0.02   0.02) =   0.000%
          QB    ALA   61 - HN    ALA   34  16.74 +/- 0.39   0.003% *  0.2076% (0.74   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    ALA   34  14.15 +/- 1.10   0.010% *  0.0547% (0.20   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    ALA   34  18.20 +/- 0.46   0.002% *  0.2117% (0.75   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    ALA   34  15.51 +/- 0.75   0.005% *  0.0610% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    ALA   34  13.76 +/- 0.33   0.009% *  0.0339% (0.12   0.02   0.02) =   0.000%
          HB3   LEU   67 - HN    LEU   80  22.72 +/- 0.81   0.000% *  0.2648% (0.94   0.02   0.02) =   0.000%
          QB    ALA  110 - HN    ALA   34  21.42 +/- 0.40   0.001% *  0.1677% (0.60   0.02   0.02) =   0.000%
          QG    LYS+  66 - HN    LEU   80  23.59 +/- 0.97   0.000% *  0.2561% (0.91   0.02   0.02) =   0.000%
          HG    LEU   40 - HN    LEU   80  21.04 +/- 1.40   0.001% *  0.0905% (0.32   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    LEU   80  21.57 +/- 0.77   0.001% *  0.0905% (0.32   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HN    LEU   80  25.00 +/- 0.74   0.000% *  0.1927% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - HN    ALA   34  22.09 +/- 0.57   0.001% *  0.0748% (0.27   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    ALA   34  21.09 +/- 1.26   0.001% *  0.0384% (0.14   0.02   0.02) =   0.000%
          HG    LEU   67 - HN    LEU   80  23.67 +/- 0.90   0.000% *  0.0662% (0.24   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   80  27.44 +/- 0.91   0.000% *  0.0465% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.766, residual support = 8.62:
          QG1   VAL   41 - HN    ALA   34   4.35 +/- 0.28  69.454% * 48.2662% (0.78   0.75   9.05) =  89.602%  kept
          HG    LEU   31 - HN    ALA   34   6.31 +/- 0.56   9.513% * 39.3490% (0.51   0.94   5.07) =  10.005%  kept
          QD2   LEU   73 - HN    ALA   34   5.79 +/- 0.62  14.437% *  0.6279% (0.38   0.02   0.02) =   0.242%
          QG1   VAL   43 - HN    ALA   34   8.08 +/- 0.34   1.716% *  1.1908% (0.72   0.02   0.02) =   0.055%
          QG2   THR   46 - HN    LEU   80   8.07 +/- 0.67   1.940% *  0.9463% (0.57   0.02   0.02) =   0.049%
          QD1   ILE   19 - HN    ALA   34   8.15 +/- 0.42   1.619% *  0.3587% (0.22   0.02   0.02) =   0.016%
          QG1   VAL   43 - HN    LEU   80  10.88 +/- 0.52   0.287% *  1.4402% (0.87   0.02   0.02) =   0.011%
          HG    LEU   31 - HN    LEU   80  11.93 +/- 0.72   0.172% *  1.0093% (0.61   0.02   0.02) =   0.005%
          QD2   LEU   73 - HN    LEU   80  11.58 +/- 0.49   0.200% *  0.7594% (0.46   0.02   0.02) =   0.004%
          QG2   VAL   18 - HN    ALA   34  12.24 +/- 0.35   0.139% *  0.9367% (0.57   0.02   0.02) =   0.003%
          QD1   ILE   19 - HN    LEU   80  11.28 +/- 0.38   0.231% *  0.4338% (0.26   0.02   0.02) =   0.003%
          QG2   VAL   18 - HN    LEU   80  13.92 +/- 0.65   0.068% *  1.1329% (0.69   0.02   0.02) =   0.002%
          QG1   VAL   41 - HN    LEU   80  14.76 +/- 0.53   0.046% *  1.5567% (0.94   0.02   0.02) =   0.002%
          QD2   LEU  104 - HN    ALA   34  12.66 +/- 0.59   0.118% *  0.2259% (0.14   0.02   0.02) =   0.001%
          QG2   THR   46 - HN    ALA   34  15.79 +/- 0.37   0.030% *  0.7824% (0.47   0.02   0.02) =   0.001%
          QD1   ILE   56 - HN    LEU   80  17.46 +/- 0.66   0.017% *  0.3890% (0.24   0.02   0.02) =   0.000%
          QD1   ILE   56 - HN    ALA   34  20.04 +/- 0.28   0.007% *  0.3217% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   80  20.36 +/- 0.67   0.007% *  0.2732% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1315 (0.59, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.848, support = 6.23, residual support = 79.5:
          QD2   LEU   80 - HN    LEU   80   2.84 +/- 0.92  87.509% * 97.0374% (0.85   6.24  79.55) =  99.968%  kept
          QD1   LEU   73 - HN    ALA   34   4.92 +/- 0.21   8.013% *  0.2812% (0.77   0.02   0.02) =   0.027%
          QG1   VAL   83 - HN    LEU   80   5.37 +/- 0.40   4.230% *  0.0865% (0.24   0.02   0.02) =   0.004%
          QD1   LEU   73 - HN    LEU   80  10.13 +/- 0.42   0.088% *  0.3401% (0.93   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ALA   34  11.82 +/- 0.55   0.052% *  0.2573% (0.70   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    ALA   34  12.04 +/- 0.52   0.037% *  0.1971% (0.54   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    ALA   34  13.93 +/- 0.66   0.014% *  0.2812% (0.77   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    ALA   34  11.93 +/- 0.62   0.032% *  0.0715% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    ALA   34  14.53 +/- 0.89   0.013% *  0.1286% (0.35   0.02   0.02) =   0.000%
          QD1   LEU   63 - HN    LEU   80  16.83 +/- 0.64   0.004% *  0.3401% (0.93   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    ALA   34  19.31 +/- 0.53   0.002% *  0.2648% (0.72   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   80  19.99 +/- 0.64   0.002% *  0.3203% (0.87   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   80  20.42 +/- 0.77   0.002% *  0.2383% (0.65   0.02   0.02) =   0.000%
          QD2   LEU   63 - HN    LEU   80  18.87 +/- 0.83   0.002% *  0.1556% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1316 (0.46, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 0.16, residual support = 0.319:
          QG1   VAL   75 - HN    LEU   80   4.17 +/- 1.03  99.363% * 80.1058% (0.46   0.16   0.32) =  99.935%  kept
          QG1   VAL   75 - HN    ALA   34  12.29 +/- 0.48   0.593% *  8.2857% (0.38   0.02   0.02) =   0.062%
          QD1   LEU  115 - HN    LEU   80  18.80 +/- 0.78   0.025% *  6.3545% (0.29   0.02   0.02) =   0.002%
          QD1   LEU  115 - HN    ALA   34  19.93 +/- 0.48   0.019% *  5.2540% (0.24   0.02   0.02) =   0.001%
    Distance limit 4.39 A violated in 4 structures by 0.29 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 1317 (4.12, 8.09, 121.65 ppm):
    20 chemical-shift based assignments, quality = 0.626, support = 3.63, residual support = 26.1:
      O   HA    ALA   34 - HN    ALA   34   2.79 +/- 0.02  97.026% * 92.1152% (0.63   3.63  26.09) =  99.991%  kept
          HA    LYS+  81 - HN    LEU   80   5.24 +/- 0.14   2.234% *  0.2366% (0.29   0.02  30.93) =   0.006%
          HA    ASN   28 - HN    ALA   34   7.48 +/- 0.13   0.260% *  0.5996% (0.74   0.02   0.02) =   0.002%
          HA    GLU-  36 - HN    ALA   34   7.10 +/- 0.07   0.355% *  0.1411% (0.17   0.02   0.02) =   0.001%
          HA    ASN   28 - HN    LEU   80  11.55 +/- 0.48   0.020% *  0.7252% (0.89   0.02   1.84) =   0.000%
          HA1   GLY  101 - HN    ALA   34  11.25 +/- 1.80   0.033% *  0.3845% (0.47   0.02   0.02) =   0.000%
          HA    THR   26 - HN    ALA   34  10.13 +/- 0.30   0.043% *  0.1110% (0.14   0.02   0.02) =   0.000%
          HA    THR   26 - HN    LEU   80  11.10 +/- 0.31   0.025% *  0.1343% (0.17   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    LEU   80  19.79 +/- 0.81   0.001% *  0.6403% (0.79   0.02   0.02) =   0.000%
          HA    ALA   34 - HN    LEU   80  19.75 +/- 0.43   0.001% *  0.6139% (0.76   0.02   0.02) =   0.000%
          HA1   GLY  101 - HN    LEU   80  21.28 +/- 2.19   0.001% *  0.4650% (0.57   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    LEU   80  22.49 +/- 0.77   0.000% *  0.7077% (0.87   0.02   0.02) =   0.000%
          HA    LEU  115 - HN    ALA   34  22.03 +/- 0.35   0.000% *  0.5851% (0.72   0.02   0.02) =   0.000%
          HA    LYS+  81 - HN    ALA   34  19.95 +/- 0.40   0.001% *  0.1956% (0.24   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    ALA   34  23.35 +/- 1.02   0.000% *  0.4603% (0.57   0.02   0.02) =   0.000%
          HA    ARG+  54 - HN    ALA   34  26.06 +/- 0.60   0.000% *  0.5294% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    LEU   80  25.70 +/- 0.84   0.000% *  0.3437% (0.42   0.02   0.02) =   0.000%
          HA    GLU-  36 - HN    LEU   80  23.48 +/- 0.48   0.000% *  0.1707% (0.21   0.02   0.02) =   0.000%
          HA    GLU- 114 - HN    ALA   34  25.75 +/- 0.44   0.000% *  0.2842% (0.35   0.02   0.02) =   0.000%
          HA    ALA  124 - HN    LEU   80  33.21 +/- 0.81   0.000% *  0.5567% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1318 (3.60, 8.09, 121.65 ppm):
    4 chemical-shift based assignments, quality = 0.598, support = 1.77, residual support = 5.07:
          HA    LEU   31 - HN    ALA   34   3.23 +/- 0.13  96.426% * 97.4671% (0.60   1.77   5.07) =  99.975%  kept
          HA    THR   77 - HN    LEU   80   5.93 +/- 0.71   3.561% *  0.6557% (0.36   0.02   0.02) =   0.025%
          HA    LEU   31 - HN    LEU   80  14.84 +/- 0.47   0.011% *  1.3351% (0.72   0.02   0.02) =   0.000%
          HA    THR   77 - HN    ALA   34  19.22 +/- 0.27   0.002% *  0.5421% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1319 (2.91, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.614, support = 4.47, residual support = 35.7:
          QE    LYS+  33 - HN    ALA   34   4.58 +/- 0.32  59.473% * 43.1552% (0.60   5.13  47.56) =  74.617%  kept
          HB2   ASP-  76 - HN    LEU   80   5.20 +/- 0.64  32.724% * 19.9437% (0.57   2.47   1.12) =  18.974%  kept
          HB2   ASP-  78 - HN    LEU   80   6.63 +/- 0.28   6.218% * 35.4263% (0.93   2.72   0.71) =   6.404%  kept
          HB2   ASN   28 - HN    ALA   34   9.71 +/- 0.19   0.611% *  0.1423% (0.51   0.02   0.02) =   0.003%
          HB2   ASN   28 - HN    LEU   80  11.12 +/- 0.51   0.282% *  0.1721% (0.61   0.02   1.84) =   0.001%
          HB2   ASP-  86 - HN    LEU   80  10.16 +/- 0.38   0.464% *  0.0740% (0.26   0.02   0.02) =   0.001%
          HB2   ASN   69 - HN    ALA   34  12.63 +/- 0.73   0.132% *  0.1071% (0.38   0.02   0.02) =   0.000%
          QE    LYS+  33 - HN    LEU   80  16.87 +/- 1.32   0.024% *  0.2033% (0.72   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    ALA   34  17.95 +/- 1.31   0.017% *  0.1071% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HN    ALA   34  16.10 +/- 0.61   0.030% *  0.0612% (0.22   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HN    ALA   34  18.56 +/- 0.49   0.013% *  0.1334% (0.47   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HN    ALA   34  22.56 +/- 0.40   0.004% *  0.2156% (0.77   0.02   0.02) =   0.000%
          QE    LYS+  65 - HN    LEU   80  21.46 +/- 1.18   0.005% *  0.1295% (0.46   0.02   0.02) =   0.000%
          HB2   ASN   69 - HN    LEU   80  26.59 +/- 0.92   0.001% *  0.1295% (0.46   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1320 (2.33, 8.09, 121.65 ppm):
    14 chemical-shift based assignments, quality = 0.46, support = 5.24, residual support = 47.5:
          HB2   GLU-  79 - HN    LEU   80   2.91 +/- 0.75  99.139% * 95.1770% (0.46   5.24  47.47) =  99.998%  kept
          HG3   GLU-  36 - HN    ALA   34   7.35 +/- 0.47   0.781% *  0.2105% (0.27   0.02   0.02) =   0.002%
          HG3   GLU-  25 - HN    LEU   80  11.64 +/- 0.37   0.049% *  0.7317% (0.93   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HN    ALA   34  14.80 +/- 0.24   0.011% *  0.6050% (0.77   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    LEU   80  16.40 +/- 0.79   0.005% *  0.6475% (0.82   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    LEU   80  16.27 +/- 1.72   0.007% *  0.2546% (0.32   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HN    ALA   34  18.54 +/- 0.70   0.002% *  0.3004% (0.38   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    LEU   80  20.64 +/- 0.82   0.001% *  0.3069% (0.39   0.02   0.02) =   0.000%
          QG    GLU- 114 - HN    ALA   34  22.27 +/- 0.57   0.001% *  0.2538% (0.32   0.02   0.02) =   0.000%
          HG2   PRO   52 - HN    ALA   34  26.24 +/- 0.78   0.000% *  0.5354% (0.68   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HN    LEU   80  23.52 +/- 0.59   0.001% *  0.2546% (0.32   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    LEU   80  23.72 +/- 0.69   0.001% *  0.2802% (0.36   0.02   0.02) =   0.000%
          HB2   PRO   58 - HN    ALA   34  24.47 +/- 0.39   0.001% *  0.2317% (0.29   0.02   0.02) =   0.000%
          HG2   MET   92 - HN    ALA   34  25.99 +/- 0.73   0.000% *  0.2105% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1321 (4.01, 8.09, 121.65 ppm):
    22 chemical-shift based assignments, quality = 0.761, support = 6.78, residual support = 45.8:
      O   HA    LYS+  33 - HN    ALA   34   3.63 +/- 0.00  72.016% * 80.0666% (0.78   6.85  47.56) =  96.338%  kept
          HA    GLN   32 - HN    ALA   34   4.83 +/- 0.09  13.118% * 16.5977% (0.22   5.10   0.41) =   3.638%  kept
          HB2   SER   37 - HN    ALA   34   5.36 +/- 0.86  11.304% *  0.0521% (0.17   0.02   1.85) =   0.010%
          HB2   SER   82 - HN    LEU   80   6.71 +/- 0.48   2.002% *  0.2537% (0.85   0.02   0.02) =   0.008%
          HA    GLU-  29 - HN    ALA   34   7.41 +/- 0.17   1.002% *  0.2258% (0.75   0.02   0.02) =   0.004%
          HA    VAL   70 - HN    ALA   34   9.22 +/- 0.38   0.282% *  0.2029% (0.68   0.02   0.02) =   0.001%
          HA    SER   48 - HN    LEU   80  10.57 +/- 0.69   0.131% *  0.1489% (0.50   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    ALA   34  12.10 +/- 0.46   0.055% *  0.2213% (0.74   0.02   0.02) =   0.000%
          HA    GLU-  29 - HN    LEU   80  14.30 +/- 0.39   0.020% *  0.2730% (0.91   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    LEU   80  13.35 +/- 0.40   0.030% *  0.0873% (0.29   0.02   0.02) =   0.000%
          HA    VAL   18 - HN    LEU   80  16.15 +/- 0.46   0.010% *  0.2676% (0.89   0.02   0.02) =   0.000%
          HA    LYS+  33 - HN    LEU   80  19.74 +/- 0.43   0.003% *  0.2829% (0.95   0.02   0.02) =   0.000%
          HB2   SER   82 - HN    ALA   34  19.72 +/- 0.77   0.003% *  0.2098% (0.70   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    LEU   80  15.77 +/- 0.71   0.011% *  0.0437% (0.15   0.02   0.02) =   0.000%
          HA    GLN   32 - HN    LEU   80  17.55 +/- 0.47   0.006% *  0.0787% (0.26   0.02   0.02) =   0.000%
          HA    VAL   70 - HN    LEU   80  22.08 +/- 0.62   0.001% *  0.2454% (0.82   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    ALA   34  24.69 +/- 0.44   0.001% *  0.2029% (0.68   0.02   0.02) =   0.000%
          HA    ALA   88 - HN    ALA   34  20.89 +/- 0.48   0.002% *  0.0722% (0.24   0.02   0.02) =   0.000%
          HA    GLN  116 - HN    LEU   80  26.47 +/- 0.76   0.000% *  0.2454% (0.82   0.02   0.02) =   0.000%
          HA    SER   48 - HN    ALA   34  23.85 +/- 0.56   0.001% *  0.1231% (0.41   0.02   0.02) =   0.000%
          HB2   SER   37 - HN    LEU   80  22.63 +/- 0.79   0.001% *  0.0630% (0.21   0.02   0.02) =   0.000%
          HD2   PRO   52 - HN    ALA   34  25.88 +/- 0.28   0.001% *  0.0361% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1322 (8.28, 8.08, 121.56 ppm):
    8 chemical-shift based assignments, quality = 0.321, support = 0.0194, residual support = 0.177:
          HN    GLN   30 - HN    ALA   34   6.19 +/- 0.15  77.341% *  5.3388% (0.17   0.02   0.30) =  56.379%  kept
          HN    GLU-  29 - HN    ALA   34   8.39 +/- 0.12  12.409% * 18.4898% (0.61   0.02   0.02) =  31.328%  kept
          HN    ASP-  86 - HN    LEU   80   9.41 +/- 0.28   6.429% *  6.0789% (0.20   0.02   0.02) =   5.336%  kept
          HN    GLU-  29 - HN    LEU   80  11.59 +/- 0.39   1.850% * 16.5608% (0.54   0.02   0.02) =   4.184%  kept
          HN    VAL   18 - HN    ALA   34  14.41 +/- 0.40   0.496% * 22.1363% (0.72   0.02   0.02) =   1.501%
          HN    GLN   30 - HN    LEU   80  12.43 +/- 0.40   1.210% *  4.7818% (0.16   0.02   0.02) =   0.790%
          HN    VAL   18 - HN    LEU   80  17.96 +/- 0.55   0.133% * 19.8269% (0.65   0.02   0.02) =   0.361%
        T HN    ASP-  86 - HN    ALA   34  17.95 +/- 0.56   0.132% *  6.7869% (0.22   0.02   0.02) =   0.122%
    Distance limit 3.76 A violated in 20 structures by 2.18 A, eliminated.
    Peak unassigned.
 
    Peak 1323 (8.28, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.227, support = 0.0193, residual support = 0.163:
          HN    GLN   30 - HN    ALA   34   6.19 +/- 0.15  77.341% *  3.7410% (0.11   0.02   0.30) =  51.606%  kept
          HN    GLU-  29 - HN    ALA   34   8.39 +/- 0.12  12.409% * 14.5433% (0.41   0.02   0.02) =  32.188%  kept
          HN    ASP-  86 - HN    LEU   80   9.41 +/- 0.28   6.429% *  5.8551% (0.17   0.02   0.02) =   6.714%  kept
          HN    GLU-  29 - HN    LEU   80  11.59 +/- 0.39   1.850% * 17.5897% (0.50   0.02   0.02) =   5.805%  kept
          HN    VAL   18 - HN    ALA   34  14.41 +/- 0.40   0.496% * 22.1344% (0.63   0.02   0.02) =   1.960%
          HN    GLN   30 - HN    LEU   80  12.43 +/- 0.40   1.210% *  4.5246% (0.13   0.02   0.02) =   0.977%
          HN    VAL   18 - HN    LEU   80  17.96 +/- 0.55   0.133% * 26.7708% (0.76   0.02   0.02) =   0.637%
        T HN    ASP-  86 - HN    ALA   34  17.95 +/- 0.56   0.132% *  4.8411% (0.14   0.02   0.02) =   0.114%
    Distance limit 3.74 A violated in 20 structures by 2.20 A, eliminated.
    Peak unassigned.
 
    Peak 1325 (8.38, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.537, support = 4.0, residual support = 18.6:
        T HN    ASN   35 - HN    ALA   34   2.65 +/- 0.06  99.990% * 96.8984% (0.54   4.00  18.58) = 100.000%  kept
          HN    ALA   12 - HN    ALA   34  16.55 +/- 3.93   0.004% *  0.7035% (0.78   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    ALA   34  14.48 +/- 0.27   0.004% *  0.2176% (0.24   0.02   0.02) =   0.000%
        T HN    ASN   35 - HN    LEU   80  18.55 +/- 0.44   0.001% *  0.5857% (0.65   0.02   0.02) =   0.000%
          HN    PHE   97 - HN    LEU   80  18.01 +/- 0.56   0.001% *  0.2632% (0.29   0.02   0.02) =   0.000%
          HN    ALA   12 - HN    LEU   80  26.03 +/- 3.97   0.000% *  0.8508% (0.94   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    LEU   80  23.53 +/- 0.80   0.000% *  0.2632% (0.29   0.02   0.02) =   0.000%
          HN    LEU  115 - HN    ALA   34  24.55 +/- 0.37   0.000% *  0.2176% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1326 (7.29, 8.09, 121.65 ppm):
    8 chemical-shift based assignments, quality = 0.938, support = 5.1, residual support = 30.9:
          HN    LYS+  81 - HN    LEU   80   3.49 +/- 0.38  99.014% * 98.6382% (0.94   5.10  30.93) =  99.999%  kept
          HE3   TRP   27 - HN    LEU   80   8.94 +/- 0.72   0.558% *  0.0602% (0.15   0.02  10.41) =   0.000%
          HE3   TRP   27 - HN    ALA   34   9.10 +/- 0.41   0.353% *  0.0498% (0.12   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    LEU   80  14.08 +/- 0.62   0.032% *  0.3499% (0.85   0.02   0.02) =   0.000%
          QD    PHE   60 - HN    ALA   34  13.81 +/- 0.32   0.031% *  0.2893% (0.70   0.02   0.02) =   0.000%
          HN    LYS+  81 - HN    ALA   34  19.79 +/- 0.54   0.003% *  0.3197% (0.78   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    ALA   34  17.61 +/- 0.42   0.008% *  0.1326% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  66 - HN    LEU   80  24.07 +/- 0.78   0.001% *  0.1604% (0.39   0.02   0.02) =   0.000%
    Distance limit 4.01 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1327 (1.34, 8.16, 121.97 ppm):
    13 chemical-shift based assignments, quality = 0.658, support = 1.73, residual support = 4.95:
          HG2   LYS+ 111 - HN    GLU- 114   4.84 +/- 0.31  72.400% * 65.9229% (0.73   1.59   5.53) =  88.095%  kept
          HB2   LYS+ 112 - HN    GLU- 114   5.75 +/- 0.17  25.980% * 24.7742% (0.15   2.81   0.59) =  11.880%  kept
          HB3   PRO   93 - HN    GLU- 114  10.16 +/- 0.44   0.893% *  0.8731% (0.76   0.02   0.02) =   0.014%
          HB2   LEU   63 - HN    GLU- 114  13.31 +/- 0.29   0.173% *  1.1198% (0.98   0.02   0.02) =   0.004%
          HB3   ASP-  44 - HN    GLU- 114  13.89 +/- 0.65   0.138% *  1.1424% (1.00   0.02   0.02) =   0.003%
          HG3   LYS+ 106 - HN    GLU- 114  12.37 +/- 0.43   0.275% *  0.2543% (0.22   0.02   0.02) =   0.001%
          QB    ALA  124 - HN    GLU- 114  16.42 +/- 0.79   0.051% *  1.1025% (0.97   0.02   0.02) =   0.001%
          QB    ALA   84 - HN    GLU- 114  16.69 +/- 0.42   0.045% *  0.9148% (0.80   0.02   0.02) =   0.001%
          HG    LEU   98 - HN    GLU- 114  18.32 +/- 1.05   0.027% *  1.0246% (0.90   0.02   0.02) =   0.001%
          HB3   LEU   80 - HN    GLU- 114  23.59 +/- 1.38   0.006% *  1.0546% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HN    GLU- 114  21.90 +/- 0.43   0.009% *  0.5122% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   31 - HN    GLU- 114  26.67 +/- 0.47   0.003% *  0.9148% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HN    GLU- 114  29.37 +/- 0.38   0.002% *  0.3897% (0.34   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   1094
      with diagonal assignment               :    129
      without assignment possibility         :      2
      with one assignment possibility        :     46
      with multiple assignment possibilities :    917
      with given assignment possibilities    :      0
      with unique volume contribution        :    738
      with multiple volume contributions     :    225
      eliminated by violation filter         :     45
 
    Peaks:
      selected                               :   1094
      without assignment                     :     60
      with assignment                        :   1034
      with unique assignment                 :    826
      with multiple assignment               :    208
      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             :    905
 
    Atoms with eliminated volume contribution > 2.5:
    HN    ALA   34       2.6
    HN    ASP-  62       2.7
 
    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 = 0.654, support = 3.41, residual support = 46.4:
      O T HB2   GLU-  14 - HA    GLU-  14   2.74 +/- 0.19  81.922% * 21.9790% (0.39   2.96  46.63) =  56.938%  kept
    * O T HG2   MET   11 - HA    MET   11   3.75 +/- 0.58  17.934% * 75.9284% (1.00   4.00  46.12) =  43.061%  kept
        T HB2   GLU-  14 - HA    MET   11  10.43 +/- 1.46   0.044% *  0.3788% (1.00   0.02   0.02) =   0.001%
        T HG2   MET   11 - HA    GLU-  14   9.78 +/- 1.41   0.079% *  0.1490% (0.39   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  12.72 +/- 2.61   0.018% *  0.0414% (0.11   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  19.29 +/- 3.06   0.001% *  0.1056% (0.28   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  22.60 +/- 1.19   0.000% *  0.1460% (0.38   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  30.88 +/- 2.11   0.000% *  0.3721% (0.98   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  27.02 +/- 2.00   0.000% *  0.1460% (0.38   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  23.25 +/- 1.67   0.000% *  0.0612% (0.16   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  34.46 +/- 3.59   0.000% *  0.3721% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  30.85 +/- 2.97   0.000% *  0.1561% (0.41   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  25.72 +/- 1.77   0.000% *  0.0261% (0.07   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  33.69 +/- 3.00   0.000% *  0.0665% (0.18   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU-  14  29.58 +/- 1.39   0.000% *  0.0202% (0.05   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    MET   11  36.58 +/- 3.06   0.000% *  0.0514% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.774, support = 3.63, residual support = 46.3:
    * O T HG3   MET   11 - HA    MET   11   3.31 +/- 0.62  32.842% * 77.2598% (1.00   4.00  46.12) =  64.109%  kept
      O T HB3   GLU-  14 - HA    GLU-  14   2.85 +/- 0.19  66.996% * 21.2028% (0.37   2.96  46.63) =  35.890%  kept
        T HB3   GLU-  14 - HA    MET   11  10.16 +/- 1.71   0.075% *  0.3654% (0.95   0.02   0.02) =   0.001%
        T HG3   MET   11 - HA    GLU-  14  10.05 +/- 1.33   0.064% *  0.1516% (0.39   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  14  12.84 +/- 1.90   0.015% *  0.0265% (0.07   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   11  17.31 +/- 4.04   0.004% *  0.0677% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  17.49 +/- 1.32   0.001% *  0.0468% (0.12   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  21.78 +/- 1.65   0.000% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  22.89 +/- 2.56   0.000% *  0.1192% (0.31   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  21.08 +/- 1.11   0.000% *  0.0680% (0.18   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  28.10 +/- 3.43   0.000% *  0.2654% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  29.40 +/- 2.00   0.000% *  0.1732% (0.45   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  28.98 +/- 1.90   0.000% *  0.0421% (0.11   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  36.10 +/- 3.78   0.000% *  0.1074% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 0.702, support = 3.6, residual support = 44.1:
    * O T HA    MET   11 - HG2   MET   11   3.75 +/- 0.58  17.117% * 64.7962% (1.00   4.00  46.12) =  61.945%  kept
      O T HA    GLU-  14 - HB2   GLU-  14   2.74 +/- 0.19  76.878% *  7.3747% (0.15   2.96  46.63) =  31.665%  kept
          HA    ALA   12 - HG2   MET   11   4.82 +/- 0.81   4.647% * 24.6138% (0.53   2.89  12.21) =   6.388%  kept
          HA    ALA   12 - HB2   GLU-  14   7.81 +/- 0.93   0.229% *  0.0638% (0.20   0.02   0.02) =   0.001%
          HA1   GLY   51 - HB2   ARG+  54   6.22 +/- 0.84   0.822% *  0.0118% (0.04   0.02   0.02) =   0.001%
        T HA    GLU-  14 - HG2   MET   11   9.78 +/- 1.41   0.072% *  0.1332% (0.41   0.02   0.02) =   0.001%
        T HA    MET   11 - HB2   GLU-  14  10.43 +/- 1.46   0.042% *  0.1213% (0.37   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   ARG+  54   7.63 +/- 0.46   0.180% *  0.0048% (0.01   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  14  16.29 +/- 1.74   0.003% *  0.0591% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  18.33 +/- 1.92   0.001% *  0.1211% (0.37   0.02   0.02) =   0.000%
          HA    THR   39 - HG2   MET   11  21.17 +/- 3.81   0.001% *  0.1577% (0.49   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.90 +/- 0.56   0.003% *  0.0313% (0.10   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  16.09 +/- 0.99   0.002% *  0.0307% (0.09   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  26.39 +/- 3.13   0.000% *  0.3233% (1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.39 +/- 1.85   0.000% *  0.1120% (0.35   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  24.62 +/- 2.20   0.000% *  0.1189% (0.37   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   GLU-  14  22.69 +/- 2.23   0.000% *  0.0687% (0.21   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG2   MET   11  28.81 +/- 4.00   0.000% *  0.1834% (0.57   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  29.87 +/- 3.89   0.000% *  0.2991% (0.92   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  14  19.07 +/- 1.88   0.001% *  0.0187% (0.06   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  31.94 +/- 3.73   0.000% *  0.3176% (0.98   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  27.69 +/- 2.33   0.000% *  0.1189% (0.37   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  34.35 +/- 4.16   0.000% *  0.3176% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ARG+  54  20.59 +/- 0.81   0.000% *  0.0177% (0.05   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  22.94 +/- 0.83   0.000% *  0.0307% (0.09   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  27.69 +/- 2.38   0.000% *  0.0591% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  33.81 +/- 4.52   0.000% *  0.1577% (0.49   0.02   0.02) =   0.000%
          HA    ALA   57 - HG2   MET   11  27.26 +/- 2.28   0.000% *  0.0500% (0.15   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  14  27.54 +/- 2.18   0.000% *  0.0455% (0.14   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.70 +/- 0.27   0.000% *  0.0289% (0.09   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG2   MET   11  35.23 +/- 3.05   0.000% *  0.1216% (0.38   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  25.72 +/- 1.77   0.000% *  0.0129% (0.04   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  26.56 +/- 0.72   0.000% *  0.0152% (0.05   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  33.69 +/- 3.00   0.000% *  0.0313% (0.10   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ARG+  54  29.40 +/- 0.40   0.000% *  0.0152% (0.05   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  30.78 +/- 2.31   0.000% *  0.0165% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.884, support = 3.31, residual support = 46.2:
    * O T QB    MET   11 - HG2   MET   11   2.27 +/- 0.14  54.002% * 80.0114% (1.00   3.31  46.12) =  85.222%  kept
      O T QG    GLU-  14 - HB2   GLU-  14   2.35 +/- 0.16  44.489% * 16.8361% (0.21   3.29  46.63) =  14.773%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.12 +/- 0.94   1.419% *  0.1314% (0.27   0.02   1.33) =   0.004%
        T QG    GLU-  14 - HG2   MET   11   9.28 +/- 1.74   0.038% *  0.2735% (0.57   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  10.69 +/- 2.24   0.018% *  0.3508% (0.73   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLU-  14   9.72 +/- 1.37   0.017% *  0.1809% (0.37   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   MET   11  18.09 +/- 5.74   0.004% *  0.1813% (0.38   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  11.57 +/- 1.73   0.005% *  0.0881% (0.18   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   ARG+  54  11.31 +/- 1.15   0.004% *  0.0175% (0.04   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  15.80 +/- 1.93   0.001% *  0.1097% (0.23   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  19.90 +/- 2.76   0.000% *  0.2351% (0.49   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   GLU-  14  16.48 +/- 2.61   0.001% *  0.0679% (0.14   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  14.27 +/- 0.69   0.001% *  0.0283% (0.06   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   ARG+  54  13.72 +/- 1.02   0.001% *  0.0144% (0.03   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  24.02 +/- 2.92   0.000% *  0.2930% (0.61   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   GLU-  14  20.31 +/- 2.20   0.000% *  0.0451% (0.09   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   11  26.76 +/- 3.90   0.000% *  0.1205% (0.25   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  17.38 +/- 0.83   0.000% *  0.0192% (0.04   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  18.00 +/- 0.74   0.000% *  0.0227% (0.05   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  15.26 +/- 0.54   0.001% *  0.0072% (0.01   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  24.60 +/- 2.20   0.000% *  0.0744% (0.15   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  31.03 +/- 3.32   0.000% *  0.1986% (0.41   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   ARG+  54  19.12 +/- 0.98   0.000% *  0.0116% (0.02   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  22.51 +/- 1.64   0.000% *  0.0279% (0.06   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  14  25.37 +/- 1.69   0.000% *  0.0558% (0.12   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  22.65 +/- 1.84   0.000% *  0.0264% (0.05   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  23.26 +/- 0.98   0.000% *  0.0339% (0.07   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  14  28.11 +/- 2.17   0.000% *  0.0679% (0.14   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   11  32.45 +/- 2.50   0.000% *  0.1491% (0.31   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   11  35.93 +/- 3.72   0.000% *  0.1813% (0.38   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  30.34 +/- 2.19   0.000% *  0.0745% (0.15   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  30.37 +/- 2.30   0.000% *  0.0467% (0.10   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB2   ARG+  54  35.41 +/- 1.03   0.000% *  0.0175% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 9 (2.08, 2.08, 30.22 ppm):
    3 diagonal assignments:
    *     HG2   MET   11 - HG2   MET   11  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.37)  kept
          HB2   ARG+  54 - HB2   ARG+  54  (0.02)  kept
 
    Peak 10 (1.92, 2.08, 30.22 ppm):
    21 chemical-shift based assignments, quality = 0.864, support = 3.79, residual support = 46.2:
    * O T HG3   MET   11 - HG2   MET   11   1.75 +/- 0.00  49.992% * 77.6890% (1.00   4.00  46.12) =  79.008%  kept
      O T HB3   GLU-  14 - HB2   GLU-  14   1.75 +/- 0.00  49.993% * 20.6408% (0.35   3.00  46.63) =  20.992%  kept
        T HB3   GLU-  14 - HG2   MET   11  10.20 +/- 2.08   0.005% *  0.3675% (0.95   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   GLU-  14  10.64 +/- 1.89   0.007% *  0.1455% (0.37   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLU-  14  11.73 +/- 2.39   0.001% *  0.0255% (0.07   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ARG+  54   9.96 +/- 0.66   0.002% *  0.0168% (0.04   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   MET   11  17.82 +/- 4.27   0.000% *  0.0680% (0.18   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ARG+  54  13.12 +/- 1.13   0.000% *  0.0104% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   GLU-  14  17.21 +/- 1.44   0.000% *  0.0449% (0.12   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   GLU-  14  21.01 +/- 2.05   0.000% *  0.0999% (0.26   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   11  23.28 +/- 3.18   0.000% *  0.1199% (0.31   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB2   GLU-  14  21.21 +/- 1.55   0.000% *  0.0652% (0.17   0.02   0.02) =   0.000%
          HB3   MET   96 - HG2   MET   11  28.46 +/- 3.67   0.000% *  0.2668% (0.69   0.02   0.02) =   0.000%
          HB3   MET   96 - HB2   ARG+  54  19.38 +/- 0.51   0.000% *  0.0258% (0.07   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG2   MET   11  29.10 +/- 2.01   0.000% *  0.1742% (0.45   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HB2   ARG+  54  25.80 +/- 2.03   0.000% *  0.0355% (0.09   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLU-  14  28.35 +/- 2.35   0.000% *  0.0404% (0.10   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   MET   11  36.23 +/- 3.51   0.000% *  0.1080% (0.28   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   ARG+  54  26.02 +/- 0.52   0.000% *  0.0116% (0.03   0.02   0.02) =   0.000%
        T HG3   MET   11 - HB2   ARG+  54  33.57 +/- 2.89   0.000% *  0.0376% (0.10   0.02   0.02) =   0.000%
        T HB3   GLN   30 - HB2   ARG+  54  24.76 +/- 0.73   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 = 0.832, support = 3.77, residual support = 44.3:
    * O T HA    MET   11 - HG3   MET   11   3.31 +/- 0.62  31.401% * 65.0253% (1.00   4.00  46.12) =  77.884%  kept
      O T HA    GLU-  14 - HB3   GLU-  14   2.85 +/- 0.19  61.869% *  7.0164% (0.15   2.96  46.63) =  16.558%  kept
          HA    ALA   12 - HG3   MET   11   4.77 +/- 0.85   5.820% * 25.0269% (0.53   2.93  12.21) =   5.556%  kept
          HA    ALA   12 - HB3   GLU-  14   7.42 +/- 1.52   0.779% *  0.0607% (0.19   0.02   0.02) =   0.002%
        T HA    MET   11 - HB3   GLU-  14  10.16 +/- 1.71   0.067% *  0.1154% (0.36   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HG3   MET   11  10.05 +/- 1.33   0.056% *  0.1337% (0.41   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  14  16.36 +/- 1.75   0.002% *  0.0562% (0.17   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   MET   11  21.29 +/- 3.46   0.001% *  0.1583% (0.49   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  14  18.53 +/- 1.74   0.001% *  0.1152% (0.35   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   MET   11  26.50 +/- 2.83   0.000% *  0.3244% (1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  14  23.54 +/- 1.71   0.000% *  0.1066% (0.33   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   MET   11  29.93 +/- 3.49   0.000% *  0.3001% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG3   MET   11  28.72 +/- 4.01   0.000% *  0.1841% (0.57   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   GLU-  14  24.78 +/- 2.06   0.000% *  0.1131% (0.35   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   GLU-  14  22.77 +/- 2.11   0.000% *  0.0654% (0.20   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   MET   11  31.94 +/- 3.62   0.000% *  0.3187% (0.98   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  14  19.31 +/- 1.75   0.001% *  0.0178% (0.05   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  14  27.81 +/- 2.11   0.000% *  0.1131% (0.35   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   MET   11  34.29 +/- 3.98   0.000% *  0.3187% (0.98   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   MET   11  33.72 +/- 4.28   0.000% *  0.1583% (0.49   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   GLU-  14  27.80 +/- 2.17   0.000% *  0.0562% (0.17   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   MET   11  27.46 +/- 2.37   0.000% *  0.0502% (0.15   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  14  27.74 +/- 2.09   0.000% *  0.0433% (0.13   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   MET   11  35.36 +/- 3.19   0.000% *  0.1220% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 0.84, support = 3.31, residual support = 46.2:
    * O T QB    MET   11 - HG3   MET   11   2.50 +/- 0.12  43.623% * 80.9539% (1.00   3.31  46.12) =  79.963%  kept
      O T QG    GLU-  14 - HB3   GLU-  14   2.40 +/- 0.16  54.780% * 16.1496% (0.20   3.29  46.63) =  20.032%  kept
        T QG    GLU-  15 - HB3   GLU-  14   5.15 +/- 0.92   1.495% *  0.1260% (0.26   0.02   1.33) =   0.004%
        T QG    GLU-  14 - HG3   MET   11   9.48 +/- 1.70   0.044% *  0.2767% (0.57   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  14   9.46 +/- 1.73   0.034% *  0.1735% (0.36   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG3   MET   11  10.93 +/- 2.03   0.013% *  0.3549% (0.73   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   MET   11  18.01 +/- 5.60   0.003% *  0.1834% (0.38   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  14  11.80 +/- 1.77   0.006% *  0.0845% (0.17   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  14  16.00 +/- 1.79   0.001% *  0.1053% (0.22   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HB3   GLU-  14  16.40 +/- 2.51   0.001% *  0.0651% (0.13   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   MET   11  20.09 +/- 2.43   0.000% *  0.2379% (0.49   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   MET   11  24.15 +/- 2.66   0.000% *  0.2965% (0.61   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   MET   11  26.71 +/- 3.86   0.000% *  0.1219% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   GLU-  14  20.40 +/- 2.08   0.000% *  0.0433% (0.09   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   GLU-  14  24.74 +/- 1.85   0.000% *  0.0713% (0.15   0.02   0.02) =   0.000%
          QG    GLN   90 - HG3   MET   11  31.00 +/- 3.28   0.000% *  0.2009% (0.41   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  14  22.74 +/- 1.49   0.000% *  0.0268% (0.05   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB3   GLU-  14  25.57 +/- 1.54   0.000% *  0.0536% (0.11   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  14  28.30 +/- 2.07   0.000% *  0.0651% (0.13   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   MET   11  32.60 +/- 2.18   0.000% *  0.1509% (0.31   0.02   0.02) =   0.000%
          HG2   MET   92 - HG3   MET   11  36.03 +/- 3.66   0.000% *  0.1834% (0.38   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   MET   11  30.58 +/- 2.08   0.000% *  0.0754% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 14 (2.08, 1.92, 30.22 ppm):
    16 chemical-shift based assignments, quality = 0.864, support = 3.79, residual support = 46.2:
    * O T HG2   MET   11 - HG3   MET   11   1.75 +/- 0.00  49.993% * 77.3692% (1.00   4.00  46.12) =  79.008%  kept
      O T HB2   GLU-  14 - HB3   GLU-  14   1.75 +/- 0.00  49.994% * 20.5558% (0.35   3.00  46.63) =  20.992%  kept
        T HB2   GLU-  14 - HG3   MET   11  10.64 +/- 1.89   0.007% *  0.3860% (1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   GLU-  14  10.20 +/- 2.08   0.005% *  0.1373% (0.36   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   GLU-  14  13.37 +/- 2.43   0.000% *  0.0382% (0.10   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   MET   11  19.61 +/- 3.03   0.000% *  0.1076% (0.28   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   GLU-  14  22.87 +/- 1.58   0.000% *  0.1346% (0.35   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   MET   11  30.87 +/- 2.29   0.000% *  0.3792% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLU-  14  22.95 +/- 1.87   0.000% *  0.0565% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   52 - HB3   GLU-  14  26.73 +/- 2.39   0.000% *  0.1346% (0.35   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   MET   11  34.55 +/- 3.17   0.000% *  0.3792% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   MET   11  30.98 +/- 2.62   0.000% *  0.1590% (0.41   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLU-  14  25.80 +/- 2.03   0.000% *  0.0241% (0.06   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   MET   11  33.57 +/- 2.89   0.000% *  0.0677% (0.18   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLU-  14  29.22 +/- 1.69   0.000% *  0.0186% (0.05   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   MET   11  36.90 +/- 2.79   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 = 0.88, support = 3.39, residual support = 46.2:
    * O T HA    MET   11 - QB    MET   11   2.32 +/- 0.15  45.393% * 82.4218% (1.00   3.36  46.12) =  86.178%  kept
      O T HA    GLU-  14 - QG    GLU-  14   2.33 +/- 0.49  51.710% * 11.5940% (0.13   3.54  46.63) =  13.810%  kept
          HA    ALA   12 - QB    MET   11   4.10 +/- 0.21   1.876% *  0.2581% (0.53   0.02  12.21) =   0.011%
        T HA    GLU-  14 - QG    GLU-  15   4.93 +/- 0.72   0.790% *  0.0486% (0.10   0.02   1.33) =   0.001%
          HA    ALA   12 - QG    GLU-  14   7.03 +/- 0.75   0.079% *  0.0838% (0.17   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  14   9.38 +/- 1.50   0.034% *  0.1592% (0.32   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  10.52 +/- 1.99   0.031% *  0.1183% (0.24   0.02   0.02) =   0.000%
        T HA    GLU-  14 - QB    MET   11   9.13 +/- 0.93   0.017% *  0.2017% (0.41   0.02   0.02) =   0.000%
          HA    ALA   12 - QG    GLU-  15   8.57 +/- 1.44   0.048% *  0.0622% (0.13   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  15  10.58 +/- 1.89   0.007% *  0.0576% (0.12   0.02   0.02) =   0.000%
          HA    THR   39 - HG3   GLU-  36  10.53 +/- 1.35   0.008% *  0.0298% (0.06   0.02   0.13) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  16.49 +/- 1.99   0.001% *  0.1588% (0.32   0.02   0.02) =   0.000%
          HA    MET   11 - HG3   GLU-  36  17.27 +/- 5.35   0.002% *  0.0611% (0.12   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  15.32 +/- 1.26   0.001% *  0.1180% (0.24   0.02   0.02) =   0.000%
          HA    THR   39 - QB    MET   11  19.04 +/- 3.10   0.000% *  0.2388% (0.49   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  14  15.24 +/- 1.79   0.001% *  0.0775% (0.16   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  23.99 +/- 2.59   0.000% *  0.4895% (1.00   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  17.97 +/- 1.74   0.000% *  0.1092% (0.22   0.02   0.02) =   0.000%
          HA    ALA   12 - HG3   GLU-  36  17.75 +/- 5.06   0.001% *  0.0322% (0.07   0.02   0.02) =   0.000%
        T HA    GLU-  79 - QB    MET   11  26.07 +/- 3.82   0.000% *  0.2777% (0.57   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  14  19.96 +/- 2.08   0.000% *  0.0901% (0.18   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  21.84 +/- 2.16   0.000% *  0.1560% (0.32   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.36 +/- 2.02   0.000% *  0.1470% (0.30   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  26.89 +/- 3.23   0.000% *  0.4528% (0.92   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  28.92 +/- 3.41   0.000% *  0.4808% (0.98   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  14  16.99 +/- 1.53   0.000% *  0.0246% (0.05   0.02   0.02) =   0.000%
          HA    ILE  103 - HG3   GLU-  36  18.56 +/- 0.51   0.000% *  0.0564% (0.12   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG3   GLU-  36  17.16 +/- 2.63   0.000% *  0.0251% (0.05   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  30.95 +/- 3.79   0.000% *  0.4808% (0.98   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  24.73 +/- 2.32   0.000% *  0.1560% (0.32   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.24 +/- 1.11   0.000% *  0.1159% (0.24   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  15  16.90 +/- 0.68   0.000% *  0.0182% (0.04   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG    GLU-  15  21.37 +/- 1.19   0.000% *  0.0670% (0.14   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  24.13 +/- 1.53   0.000% *  0.1159% (0.24   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  30.39 +/- 4.15   0.000% *  0.2388% (0.49   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG3   GLU-  36  22.06 +/- 0.57   0.000% *  0.0610% (0.12   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  24.83 +/- 2.33   0.000% *  0.0775% (0.16   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    MET   11  24.88 +/- 1.89   0.000% *  0.0757% (0.15   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  14  24.34 +/- 1.86   0.000% *  0.0597% (0.12   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  23.71 +/- 1.80   0.000% *  0.0576% (0.12   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    MET   11  32.00 +/- 2.71   0.000% *  0.1841% (0.38   0.02   0.02) =   0.000%
          HA    SER   85 - HG3   GLU-  36  26.45 +/- 0.64   0.000% *  0.0599% (0.12   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  15  25.25 +/- 0.78   0.000% *  0.0444% (0.09   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG3   GLU-  36  23.72 +/- 0.88   0.000% *  0.0298% (0.06   0.02   0.02) =   0.000%
          HB    THR   77 - HG3   GLU-  36  28.14 +/- 0.51   0.000% *  0.0599% (0.12   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HG3   GLU-  36  26.44 +/- 0.55   0.000% *  0.0346% (0.07   0.02   0.02) =   0.000%
          HA    ALA   57 - HG3   GLU-  36  28.05 +/- 1.05   0.000% *  0.0094% (0.02   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG3   GLU-  36  36.00 +/- 0.58   0.000% *  0.0229% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 17 (2.29, 2.29, 36.10 ppm):
    4 diagonal assignments:
    *     QB    MET   11 - QB    MET   11  (1.00)  kept
          QG    GLU-  14 - QG    GLU-  14  (0.18)  kept
          QG    GLU-  15 - QG    GLU-  15  (0.18)  kept
          HG3   GLU-  36 - HG3   GLU-  36  (0.05)  kept
 
    Peak 19 (2.08, 2.29, 36.10 ppm):
    32 chemical-shift based assignments, quality = 0.858, support = 3.31, residual support = 46.2:
    * O T HG2   MET   11 - QB    MET   11   2.27 +/- 0.14  53.971% * 73.3152% (1.00   3.31  46.12) =  79.065%  kept
      O T HB2   GLU-  14 - QG    GLU-  14   2.35 +/- 0.16  44.460% * 23.5614% (0.32   3.29  46.63) =  20.932%  kept
        T HB2   GLU-  14 - QG    GLU-  15   5.12 +/- 0.94   1.418% *  0.1065% (0.24   0.02   1.33) =   0.003%
        T HB2   GLU-  14 - QB    MET   11   9.72 +/- 1.37   0.017% *  0.4417% (1.00   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  14   9.28 +/- 1.74   0.038% *  0.1437% (0.32   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  15   8.57 +/- 2.62   0.070% *  0.0297% (0.07   0.02   0.02) =   0.000%
        T HG2   MET   11 - QG    GLU-  15  10.69 +/- 2.24   0.018% *  0.1067% (0.24   0.02   0.02) =   0.000%
        T HG2   MET   11 - HG3   GLU-  36  18.09 +/- 5.74   0.004% *  0.0552% (0.12   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLU-  14  12.49 +/- 2.10   0.003% *  0.0399% (0.09   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    MET   11  17.54 +/- 2.56   0.000% *  0.1231% (0.28   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HG3   GLU-  36  16.48 +/- 2.61   0.001% *  0.0550% (0.12   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  14  20.28 +/- 1.25   0.000% *  0.1408% (0.32   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLU-  15  19.47 +/- 0.69   0.000% *  0.1046% (0.24   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  14  20.27 +/- 1.93   0.000% *  0.0591% (0.13   0.02   0.02) =   0.000%
          HG2   PRO   58 - QB    MET   11  27.86 +/- 1.69   0.000% *  0.4339% (0.98   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  14  23.55 +/- 2.19   0.000% *  0.1408% (0.32   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG    GLU-  15  20.00 +/- 0.88   0.000% *  0.0439% (0.10   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLU-  15  23.74 +/- 1.12   0.000% *  0.1046% (0.24   0.02   0.02) =   0.000%
          HG3   PRO   52 - QB    MET   11  31.24 +/- 2.85   0.000% *  0.4339% (0.98   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    MET   11  28.05 +/- 2.24   0.000% *  0.1820% (0.41   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG3   GLU-  36  19.11 +/- 2.05   0.000% *  0.0153% (0.03   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  14  22.65 +/- 1.84   0.000% *  0.0252% (0.06   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QG    GLU-  15  23.26 +/- 0.98   0.000% *  0.0187% (0.04   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - QB    MET   11  30.37 +/- 2.30   0.000% *  0.0775% (0.18   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  15  24.34 +/- 1.50   0.000% *  0.0144% (0.03   0.02   0.02) =   0.000%
          HB    VAL  108 - QG    GLU-  14  26.09 +/- 1.81   0.000% *  0.0194% (0.04   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG3   GLU-  36  31.31 +/- 1.24   0.000% *  0.0541% (0.12   0.02   0.02) =   0.000%
          HB    VAL  108 - QB    MET   11  33.23 +/- 2.62   0.000% *  0.0599% (0.14   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG3   GLU-  36  32.98 +/- 1.01   0.000% *  0.0541% (0.12   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG3   GLU-  36  28.68 +/- 0.79   0.000% *  0.0227% (0.05   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   GLU-  36  30.20 +/- 1.03   0.000% *  0.0075% (0.02   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG3   GLU-  36  35.41 +/- 1.03   0.000% *  0.0097% (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 = 0.808, support = 3.31, residual support = 46.3:
    * O T HG3   MET   11 - QB    MET   11   2.50 +/- 0.12  43.601% * 74.8499% (1.00   3.31  46.12) =  72.324%  kept
      O T HB3   GLU-  14 - QG    GLU-  14   2.40 +/- 0.16  54.752% * 22.8052% (0.31   3.29  46.63) =  27.672%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.15 +/- 0.92   1.494% *  0.1031% (0.23   0.02   1.33) =   0.003%
        T HB3   GLU-  14 - QB    MET   11   9.46 +/- 1.73   0.034% *  0.4275% (0.95   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  14   9.48 +/- 1.70   0.044% *  0.1467% (0.32   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  10.93 +/- 2.03   0.013% *  0.1090% (0.24   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  14  10.67 +/- 2.27   0.021% *  0.0257% (0.06   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLU-  15   9.77 +/- 1.69   0.021% *  0.0191% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  11.58 +/- 1.81   0.007% *  0.0336% (0.07   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   GLU-  36  18.01 +/- 5.60   0.003% *  0.0563% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   30 - QB    MET   11  16.18 +/- 3.80   0.002% *  0.0791% (0.18   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HG3   GLU-  36  16.40 +/- 2.51   0.001% *  0.0533% (0.12   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  17.07 +/- 1.44   0.000% *  0.0748% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   GLU-  36  12.01 +/- 0.38   0.004% *  0.0099% (0.02   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.99 +/- 1.60   0.001% *  0.0453% (0.10   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  19.01 +/- 2.20   0.000% *  0.1007% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  21.01 +/- 2.51   0.000% *  0.1395% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG3   GLU-  36  14.45 +/- 1.23   0.001% *  0.0174% (0.04   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  19.04 +/- 1.14   0.000% *  0.0658% (0.15   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  25.75 +/- 3.11   0.000% *  0.3104% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  18.11 +/- 0.71   0.000% *  0.0488% (0.11   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  26.51 +/- 1.67   0.000% *  0.2026% (0.45   0.02   0.02) =   0.000%
          HB3   MET   96 - HG3   GLU-  36  20.71 +/- 0.39   0.000% *  0.0387% (0.09   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  25.27 +/- 2.21   0.000% *  0.0408% (0.09   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  24.86 +/- 1.07   0.000% *  0.0303% (0.07   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  32.79 +/- 3.14   0.000% *  0.1257% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   GLU-  36  30.33 +/- 1.36   0.000% *  0.0252% (0.06   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   GLU-  36  32.16 +/- 0.48   0.000% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 26 (4.31, 4.31, 53.06 ppm):
    1 diagonal assignment:
    *     HA    ALA   12 - HA    ALA   12  (0.75)  kept
 
    Peak 27 (1.39, 4.31, 53.06 ppm):
    13 chemical-shift based assignments, quality = 0.821, support = 2.0, residual support = 12.5:
    * O T QB    ALA   12 - HA    ALA   12   2.14 +/- 0.01  99.995% * 92.4662% (0.82   2.00  12.52) = 100.000%  kept
          HG3   LYS+  33 - HA    ALA   12  14.23 +/- 3.68   0.003% *  0.9247% (0.82   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   12  17.29 +/- 2.72   0.001% *  0.8165% (0.72   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   12  18.23 +/- 2.11   0.000% *  0.8766% (0.78   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   12  18.30 +/- 2.32   0.001% *  0.4382% (0.39   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   12  20.30 +/- 1.81   0.000% *  0.8766% (0.78   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA   12  22.25 +/- 2.54   0.000% *  0.7098% (0.63   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   12  25.41 +/- 3.23   0.000% *  0.2718% (0.24   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   12  30.60 +/- 3.47   0.000% *  0.7827% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   12  30.58 +/- 2.46   0.000% *  0.5929% (0.53   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   12  31.12 +/- 2.09   0.000% *  0.4019% (0.36   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   12  34.46 +/- 1.63   0.000% *  0.7098% (0.63   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   12  28.80 +/- 1.95   0.000% *  0.1323% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 12.5:
    * O T HA    ALA   12 - QB    ALA   12   2.14 +/- 0.01  97.398% * 95.7393% (0.82   2.00  12.52) =  99.990%  kept
          HA    MET   11 - QB    ALA   12   4.03 +/- 0.27   2.338% *  0.2752% (0.24   0.02  12.21) =   0.007%
          HA    GLU-  14 - QB    ALA   12   6.08 +/- 0.71   0.263% *  1.0441% (0.89   0.02   0.02) =   0.003%
          HA    ASP-  44 - QB    ALA   12  20.24 +/- 2.07   0.000% *  0.2457% (0.21   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    ALA   12  25.29 +/- 1.92   0.000% *  1.0441% (0.89   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    ALA   12  26.93 +/- 2.86   0.000% *  0.9898% (0.85   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    ALA   12  24.92 +/- 2.59   0.000% *  0.2752% (0.24   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   12  24.87 +/- 2.83   0.000% *  0.1933% (0.17   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   12  27.18 +/- 2.75   0.000% *  0.1933% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.929, support = 2.0, residual support = 10.1:
    * O T QB    SER   13 - HA    SER   13   2.38 +/- 0.14  78.278% * 57.2603% (1.00   1.93   7.50) =  85.549%  kept
      O T HB3   SER   37 - HA    SER   37   2.99 +/- 0.09  20.998% * 36.0480% (0.51   2.41  25.73) =  14.447%  kept
          HB    THR   39 - HA    SER   37   5.43 +/- 0.17   0.565% *  0.3159% (0.53   0.02   2.67) =   0.003%
          HD3   PRO   52 - HA    THR   46   7.46 +/- 0.19   0.087% *  0.1223% (0.21   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   46   9.09 +/- 0.60   0.028% *  0.3392% (0.57   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   13  12.27 +/- 3.31   0.020% *  0.1647% (0.28   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    SER   37  13.76 +/- 2.93   0.005% *  0.3166% (0.53   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    SER   13  14.51 +/- 2.53   0.002% *  0.5604% (0.95   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   37  10.44 +/- 0.30   0.011% *  0.0880% (0.15   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  15.00 +/- 2.06   0.002% *  0.5911% (1.00   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.72 +/- 0.25   0.001% *  0.2175% (0.37   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  16.20 +/- 0.46   0.001% *  0.3110% (0.52   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.42 +/- 0.26   0.000% *  0.3578% (0.60   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  21.94 +/- 1.36   0.000% *  0.3586% (0.61   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   46  18.84 +/- 0.38   0.000% *  0.0997% (0.17   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  23.08 +/- 0.36   0.000% *  0.3392% (0.57   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  27.72 +/- 3.06   0.000% *  0.5139% (0.87   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  24.94 +/- 0.89   0.000% *  0.2746% (0.46   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  28.95 +/- 2.22   0.000% *  0.5604% (0.95   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  25.76 +/- 0.27   0.000% *  0.2995% (0.51   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.10 +/- 0.36   0.000% *  0.1920% (0.32   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  27.79 +/- 1.12   0.000% *  0.3593% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   13  30.37 +/- 1.84   0.000% *  0.2021% (0.34   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   37  33.16 +/- 0.35   0.000% *  0.1080% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 0.929, support = 2.0, residual support = 10.2:
    * O T HA    SER   13 - QB    SER   13   2.38 +/- 0.14  78.045% * 56.2822% (1.00   1.93   7.50) =  84.976%  kept
      O T HA    SER   37 - HB3   SER   37   2.99 +/- 0.09  20.927% * 37.0923% (0.53   2.41  25.73) =  15.017%  kept
          HA    GLU-  15 - QB    SER   13   6.57 +/- 1.05   0.454% *  0.5823% (1.00   0.02   0.02) =   0.005%
          HA    ASN   35 - HB3   SER   37   5.76 +/- 0.35   0.417% *  0.1212% (0.21   0.02   0.02) =   0.001%
          HA    LEU   40 - HB3   SER   37   7.48 +/- 0.24   0.084% *  0.5149% (0.88   0.02   0.02) =   0.001%
          HA    GLU-  15 - HB3   SER   37  10.85 +/- 1.63   0.013% *  0.5443% (0.93   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    SER   13  10.36 +/- 0.81   0.014% *  0.3297% (0.57   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   SER   37   8.82 +/- 0.57   0.034% *  0.0737% (0.13   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  13.76 +/- 2.93   0.005% *  0.3297% (0.57   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  14.51 +/- 2.53   0.002% *  0.5443% (0.93   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  14.65 +/- 0.88   0.002% *  0.3081% (0.53   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  17.06 +/- 2.10   0.001% *  0.5509% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  19.55 +/- 1.32   0.000% *  0.5810% (1.00   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    SER   13  16.79 +/- 3.12   0.001% *  0.1296% (0.22   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   SER   37  19.33 +/- 1.14   0.000% *  0.1857% (0.32   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  22.96 +/- 0.50   0.000% *  0.5431% (0.93   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  21.94 +/- 1.36   0.000% *  0.3767% (0.65   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  23.08 +/- 0.36   0.000% *  0.3521% (0.60   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    SER   13  19.04 +/- 2.43   0.000% *  0.0788% (0.14   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    SER   13  21.91 +/- 1.21   0.000% *  0.1986% (0.34   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    SER   13  23.15 +/- 0.97   0.000% *  0.1452% (0.25   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   SER   37  24.54 +/- 0.42   0.000% *  0.1357% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 0.937, support = 3.07, residual support = 46.6:
    * O T HB2   GLU-  14 - HA    GLU-  14   2.74 +/- 0.19  81.912% * 63.8136% (1.00   2.96  46.63) =  89.609%  kept
      O T HG2   MET   11 - HA    MET   11   3.75 +/- 0.58  17.932% * 33.7986% (0.39   4.00  46.12) =  10.390%  kept
        T HG2   MET   11 - HA    GLU-  14   9.78 +/- 1.41   0.079% *  0.4306% (1.00   0.02   0.02) =   0.001%
        T HB2   GLU-  14 - HA    MET   11  10.43 +/- 1.46   0.044% *  0.1694% (0.39   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  14  12.72 +/- 2.61   0.018% *  0.1332% (0.31   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    GLU-  14  14.74 +/- 1.75   0.005% *  0.0666% (0.15   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    MET   11  15.82 +/- 4.35   0.007% *  0.0261% (0.06   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    GLU-  14  22.60 +/- 1.19   0.000% *  0.4278% (0.99   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    MET   11  19.29 +/- 3.06   0.001% *  0.0523% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    GLU-  14  27.02 +/- 2.00   0.000% *  0.4278% (0.99   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU-  14  23.25 +/- 1.67   0.000% *  0.1620% (0.38   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    GLU-  14  25.72 +/- 1.77   0.000% *  0.0666% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    MET   11  30.88 +/- 2.11   0.000% *  0.1679% (0.39   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    MET   11  34.46 +/- 3.59   0.000% *  0.1679% (0.39   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    MET   11  30.85 +/- 2.97   0.000% *  0.0636% (0.15   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    MET   11  33.69 +/- 3.00   0.000% *  0.0261% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.877, support = 3.51, residual support = 46.5:
    * O T QG    GLU-  14 - HA    GLU-  14   2.33 +/- 0.49  52.475% * 79.5853% (1.00   3.54  46.63) =  84.229%  kept
      O T QB    MET   11 - HA    MET   11   2.32 +/- 0.15  46.605% * 16.7703% (0.22   3.36  46.12) =  15.763%  kept
        T QG    GLU-  15 - HA    GLU-  14   4.93 +/- 0.72   0.816% *  0.4336% (0.97   0.02   1.33) =   0.007%
        T QG    GLU-  14 - HA    MET   11   9.38 +/- 1.50   0.036% *  0.1763% (0.39   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    MET   11  10.52 +/- 1.99   0.033% *  0.1701% (0.38   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  14   9.13 +/- 0.93   0.017% *  0.2544% (0.57   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLU-  14  11.96 +/- 1.43   0.004% *  0.4453% (0.99   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   11  16.15 +/- 4.63   0.012% *  0.0544% (0.12   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    GLU-  14  16.38 +/- 1.49   0.001% *  0.4483% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  14  13.99 +/- 1.76   0.001% *  0.1387% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   11  19.82 +/- 2.21   0.000% *  0.1747% (0.39   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  14  22.60 +/- 1.21   0.000% *  0.3086% (0.69   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   11  23.91 +/- 2.80   0.000% *  0.1759% (0.39   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  14  25.43 +/- 1.93   0.000% *  0.4336% (0.97   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    MET   11  30.73 +/- 3.47   0.000% *  0.1701% (0.38   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   11  30.37 +/- 1.81   0.000% *  0.1211% (0.27   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  14  29.36 +/- 2.15   0.000% *  0.1000% (0.22   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    MET   11  36.50 +/- 4.21   0.000% *  0.0393% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.943, support = 2.94, residual support = 45.7:
    * O T HA    GLU-  14 - HB2   GLU-  14   2.74 +/- 0.19  77.677% * 61.9812% (1.00   2.96  46.63) =  93.635%  kept
      O T HA    MET   11 - HG2   MET   11   3.75 +/- 0.58  17.282% * 12.9074% (0.15   4.00  46.12) =   4.338%  kept
          HA    ALA   12 - HG2   MET   11   4.82 +/- 0.81   4.686% * 22.2195% (0.37   2.89  12.21) =   2.025%
          HA    ALA   12 - HB2   GLU-  14   7.81 +/- 0.93   0.231% *  0.4109% (0.98   0.02   0.02) =   0.002%
        T HA    GLU-  14 - HG2   MET   11   9.78 +/- 1.41   0.073% *  0.1570% (0.37   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   GLU-  14  10.43 +/- 1.46   0.042% *  0.1723% (0.41   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  14  18.33 +/- 1.92   0.001% *  0.1573% (0.38   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ARG+  54  14.90 +/- 0.56   0.003% *  0.0231% (0.06   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   GLU-  14  25.23 +/- 1.75   0.000% *  0.3357% (0.80   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   ARG+  54  16.09 +/- 0.99   0.002% *  0.0190% (0.05   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   GLU-  14  27.69 +/- 2.38   0.000% *  0.4155% (0.99   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  14  23.39 +/- 1.85   0.000% *  0.0933% (0.22   0.02   0.02) =   0.000%
          HB    THR   77 - HB2   GLU-  14  24.62 +/- 2.20   0.000% *  0.1294% (0.31   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   GLU-  14  27.69 +/- 2.33   0.000% *  0.1294% (0.31   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   GLU-  14  24.85 +/- 2.41   0.000% *  0.0567% (0.14   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ARG+  54  25.72 +/- 1.77   0.000% *  0.0616% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG2   MET   11  26.39 +/- 3.13   0.000% *  0.0589% (0.14   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ARG+  54  26.56 +/- 0.72   0.000% *  0.0611% (0.15   0.02   0.02) =   0.000%
          HA    LEU  104 - HG2   MET   11  31.67 +/- 3.69   0.000% *  0.1257% (0.30   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG2   MET   11  33.81 +/- 4.52   0.000% *  0.1556% (0.37   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ARG+  54  26.63 +/- 0.19   0.000% *  0.0494% (0.12   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ARG+  54  22.94 +/- 0.83   0.000% *  0.0190% (0.05   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ARG+  54  30.78 +/- 2.31   0.000% *  0.0604% (0.14   0.02   0.02) =   0.000%
          HB    THR   77 - HG2   MET   11  31.94 +/- 3.73   0.000% *  0.0485% (0.12   0.02   0.02) =   0.000%
          HA    ILE  103 - HG2   MET   11  29.87 +/- 3.89   0.000% *  0.0349% (0.08   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ARG+  54  25.70 +/- 0.27   0.000% *  0.0137% (0.03   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   ARG+  54  23.85 +/- 0.63   0.000% *  0.0083% (0.02   0.02   0.02) =   0.000%
          HA    SER   85 - HG2   MET   11  34.35 +/- 4.16   0.000% *  0.0485% (0.12   0.02   0.02) =   0.000%
          HA    TRP   87 - HG2   MET   11  31.47 +/- 4.18   0.000% *  0.0212% (0.05   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ARG+  54  33.69 +/- 3.00   0.000% *  0.0253% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 39 (2.08, 2.08, 30.50 ppm):
    3 diagonal assignments:
    *     HB2   GLU-  14 - HB2   GLU-  14  (1.00)  kept
          HG2   MET   11 - HG2   MET   11  (0.37)  kept
          HB2   ARG+  54 - HB2   ARG+  54  (0.02)  kept
 
    Peak 40 (2.27, 2.08, 30.50 ppm):
    27 chemical-shift based assignments, quality = 0.838, support = 3.29, residual support = 46.5:
    * O T QG    GLU-  14 - HB2   GLU-  14   2.35 +/- 0.16  44.484% * 78.8462% (1.00   3.29  46.63) =  79.396%  kept
      O T QB    MET   11 - HG2   MET   11   2.27 +/- 0.14  54.000% * 16.8428% (0.21   3.31  46.12) =  20.588%  kept
        T QG    GLU-  15 - HB2   GLU-  14   5.12 +/- 0.94   1.419% *  0.4629% (0.97   0.02   1.33) =   0.015%
        T QG    GLU-  14 - HG2   MET   11   9.28 +/- 1.74   0.038% *  0.1796% (0.37   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLU-  14   9.72 +/- 1.37   0.017% *  0.2716% (0.57   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HG2   MET   11  10.69 +/- 2.24   0.018% *  0.1733% (0.36   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLU-  14  11.57 +/- 1.73   0.005% *  0.4754% (0.99   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG2   MET   11  16.78 +/- 4.76   0.010% *  0.0554% (0.12   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   GLU-  14  12.77 +/- 2.24   0.003% *  0.1480% (0.31   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLU-  14  15.80 +/- 1.93   0.001% *  0.4786% (1.00   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   ARG+  54  14.27 +/- 0.69   0.001% *  0.0704% (0.15   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ARG+  54  11.93 +/- 1.07   0.003% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG2   MET   11  19.90 +/- 2.76   0.000% *  0.1780% (0.37   0.02   0.02) =   0.000%
        T HG12  ILE  119 - HB2   ARG+  54  15.26 +/- 0.54   0.001% *  0.0485% (0.10   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLU-  14  22.51 +/- 1.64   0.000% *  0.3295% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ARG+  54  17.38 +/- 0.83   0.000% *  0.0681% (0.14   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   GLU-  14  24.60 +/- 2.20   0.000% *  0.4629% (0.97   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   ARG+  54  18.00 +/- 0.74   0.000% *  0.0699% (0.15   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG2   MET   11  24.02 +/- 2.92   0.000% *  0.1792% (0.37   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   ARG+  54  22.65 +/- 1.84   0.000% *  0.0705% (0.15   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   ARG+  54  23.26 +/- 0.98   0.000% *  0.0681% (0.14   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   MET   11  31.03 +/- 3.32   0.000% *  0.1733% (0.36   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU-  14  28.77 +/- 2.56   0.000% *  0.1068% (0.22   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   MET   11  30.34 +/- 2.19   0.000% *  0.1234% (0.26   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   ARG+  54  30.37 +/- 2.30   0.000% *  0.0399% (0.08   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ARG+  54  28.21 +/- 1.14   0.000% *  0.0218% (0.05   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   MET   11  36.62 +/- 3.90   0.000% *  0.0400% (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 = 0.913, support = 3.52, residual support = 46.6:
    * O T HA    GLU-  14 - QG    GLU-  14   2.33 +/- 0.49  51.719% * 84.1043% (1.00   3.54  46.63) =  89.990%  kept
      O T HA    MET   11 - QB    MET   11   2.32 +/- 0.15  45.403% * 10.6423% (0.13   3.36  46.12) =   9.996%  kept
        T HA    GLU-  14 - QG    GLU-  15   4.93 +/- 0.72   0.791% *  0.4177% (0.88   0.02   1.33) =   0.007%
          HA    ALA   12 - QB    MET   11   4.10 +/- 0.21   1.876% *  0.1510% (0.32   0.02  12.21) =   0.006%
          HA    ALA   12 - QG    GLU-  14   7.03 +/- 0.75   0.079% *  0.4654% (0.98   0.02   0.02) =   0.001%
          HA    ALA   12 - QG    GLU-  15   8.57 +/- 1.44   0.048% *  0.4095% (0.86   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  14   9.38 +/- 1.50   0.034% *  0.1952% (0.41   0.02   0.02) =   0.000%
        T HA    MET   11 - QG    GLU-  15  10.52 +/- 1.99   0.031% *  0.1717% (0.36   0.02   0.02) =   0.000%
        T HA    GLU-  14 - QB    MET   11   9.13 +/- 0.93   0.017% *  0.1541% (0.32   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  14  16.49 +/- 1.99   0.001% *  0.1782% (0.38   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QG    GLU-  15  15.32 +/- 1.26   0.001% *  0.1568% (0.33   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  15  19.22 +/- 1.68   0.000% *  0.3345% (0.70   0.02   0.02) =   0.000%
          HA    LEU  104 - QG    GLU-  14  23.07 +/- 1.94   0.000% *  0.3802% (0.80   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  15  17.97 +/- 1.74   0.000% *  0.0930% (0.20   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  14  24.83 +/- 2.33   0.000% *  0.4706% (0.99   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG    GLU-  15  23.71 +/- 1.80   0.000% *  0.4140% (0.87   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  14  21.84 +/- 2.16   0.000% *  0.1465% (0.31   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  14  21.36 +/- 2.02   0.000% *  0.1057% (0.22   0.02   0.02) =   0.000%
          HB    THR   77 - QG    GLU-  15  22.24 +/- 1.11   0.000% *  0.1289% (0.27   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  14  24.73 +/- 2.32   0.000% *  0.1465% (0.31   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  14  22.37 +/- 2.33   0.000% *  0.0643% (0.14   0.02   0.02) =   0.000%
          HA    TRP   87 - QG    GLU-  15  20.80 +/- 1.82   0.000% *  0.0565% (0.12   0.02   0.02) =   0.000%
          HA    SER   85 - QG    GLU-  15  24.13 +/- 1.53   0.000% *  0.1289% (0.27   0.02   0.02) =   0.000%
        T HA    ASP-  44 - QB    MET   11  23.99 +/- 2.59   0.000% *  0.0578% (0.12   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    MET   11  30.39 +/- 4.15   0.000% *  0.1527% (0.32   0.02   0.02) =   0.000%
          HA    LEU  104 - QB    MET   11  28.50 +/- 2.95   0.000% *  0.1234% (0.26   0.02   0.02) =   0.000%
          HB    THR   77 - QB    MET   11  28.92 +/- 3.41   0.000% *  0.0476% (0.10   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    MET   11  26.89 +/- 3.23   0.000% *  0.0343% (0.07   0.02   0.02) =   0.000%
          HA    SER   85 - QB    MET   11  30.95 +/- 3.79   0.000% *  0.0476% (0.10   0.02   0.02) =   0.000%
          HA    TRP   87 - QB    MET   11  28.35 +/- 3.72   0.000% *  0.0209% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 0.863, support = 3.29, residual support = 46.5:
    * O T HB3   GLU-  14 - QG    GLU-  14   2.40 +/- 0.16  54.782% * 73.9967% (1.00   3.29  46.63) =  80.227%  kept
      O T HG3   MET   11 - QB    MET   11   2.50 +/- 0.12  43.624% * 22.8878% (0.31   3.31  46.12) =  19.760%  kept
        T HB3   GLU-  14 - QG    GLU-  15   5.15 +/- 0.92   1.495% *  0.3961% (0.88   0.02   1.33) =   0.012%
        T HG3   MET   11 - QG    GLU-  14   9.48 +/- 1.70   0.044% *  0.4258% (0.95   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - QB    MET   11   9.46 +/- 1.73   0.034% *  0.1461% (0.32   0.02   0.02) =   0.000%
        T HG3   MET   11 - QG    GLU-  15  10.93 +/- 2.03   0.013% *  0.3747% (0.83   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  15  11.58 +/- 1.81   0.007% *  0.1928% (0.43   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  15  17.07 +/- 1.44   0.000% *  0.3436% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG    GLU-  14  15.99 +/- 1.60   0.001% *  0.2191% (0.49   0.02   0.02) =   0.000%
          HB3   MET   96 - QG    GLU-  14  19.01 +/- 2.20   0.000% *  0.3905% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  15  18.11 +/- 0.71   0.000% *  0.1101% (0.24   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLU-  14  19.04 +/- 1.14   0.000% *  0.1252% (0.28   0.02   0.02) =   0.000%
          HB2   LEU   40 - QB    MET   11  21.01 +/- 2.51   0.000% *  0.0711% (0.16   0.02   0.02) =   0.000%
          HB3   MET   96 - QB    MET   11  25.75 +/- 3.11   0.000% *  0.1267% (0.28   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  14  25.27 +/- 2.21   0.000% *  0.0695% (0.15   0.02   0.02) =   0.000%
        T HB2   MET   92 - QG    GLU-  15  24.86 +/- 1.07   0.000% *  0.0611% (0.14   0.02   0.02) =   0.000%
          HB3   PRO   58 - QB    MET   11  26.51 +/- 1.67   0.000% *  0.0406% (0.09   0.02   0.02) =   0.000%
          HB2   MET   92 - QB    MET   11  32.79 +/- 3.14   0.000% *  0.0225% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 50 (4.41, 4.41, 56.54 ppm):
    3 diagonal assignments:
    *     HA    GLU-  15 - HA    GLU-  15  (1.00)  kept
          HA    LEU   40 - HA    LEU   40  (0.76)  kept
          HA    ASN   35 - HA    ASN   35  (0.04)  kept
 
    Peak 51 (2.27, 4.41, 56.54 ppm):
    27 chemical-shift based assignments, quality = 0.998, support = 2.14, residual support = 9.49:
    * O T QG    GLU-  15 - HA    GLU-  15   2.47 +/- 0.51  94.796% * 42.3644% (1.00   2.10  10.02) =  93.847%  kept
        T QG    GLU-  14 - HA    GLU-  15   4.91 +/- 0.61   4.933% * 53.3513% (0.97   2.75   1.33) =   6.151%  kept
          HB3   PHE   72 - HA    GLU-  15   8.42 +/- 1.04   0.154% *  0.3717% (0.92   0.02   0.02) =   0.001%
          HB3   PHE   72 - HA    LEU   40  10.40 +/- 0.31   0.030% *  0.3006% (0.75   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    LEU   40  11.86 +/- 1.79   0.013% *  0.3256% (0.81   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  15  11.69 +/- 1.45   0.014% *  0.2924% (0.73   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  15  13.43 +/- 0.78   0.007% *  0.3947% (0.98   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LEU   40  13.32 +/- 0.34   0.007% *  0.3192% (0.79   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    LEU   40  16.02 +/- 1.90   0.003% *  0.3142% (0.78   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU-  15  12.96 +/- 0.97   0.009% *  0.0797% (0.20   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASN   35  12.95 +/- 2.09   0.007% *  0.0747% (0.19   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   40  15.12 +/- 0.73   0.003% *  0.1713% (0.43   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    ASN   35  14.59 +/- 0.45   0.004% *  0.0689% (0.17   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   40  19.23 +/- 0.51   0.001% *  0.2825% (0.70   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASN   35  16.31 +/- 2.09   0.003% *  0.0720% (0.18   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  15  19.18 +/- 0.57   0.001% *  0.2118% (0.53   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASN   35  12.45 +/- 0.22   0.010% *  0.0148% (0.04   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   40  16.33 +/- 0.33   0.002% *  0.0644% (0.16   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    LEU   40  20.97 +/- 2.95   0.000% *  0.2364% (0.59   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ASN   35  17.19 +/- 0.47   0.001% *  0.0732% (0.18   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  15  23.06 +/- 1.54   0.000% *  0.3493% (0.87   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASN   35  19.49 +/- 4.23   0.001% *  0.0542% (0.13   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASN   35  20.55 +/- 0.72   0.001% *  0.0648% (0.16   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASN   35  22.23 +/- 0.83   0.000% *  0.0393% (0.10   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   40  24.50 +/- 0.41   0.000% *  0.0441% (0.11   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  15  26.89 +/- 0.88   0.000% *  0.0545% (0.14   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASN   35  28.15 +/- 0.66   0.000% *  0.0101% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 3.1, residual support = 10.0:
    * O T QB    GLU-  15 - HA    GLU-  15   2.42 +/- 0.14  98.551% * 91.8311% (1.00   3.10  10.02) =  99.996%  kept
        T HB2   GLN   17 - HA    GLU-  15   6.26 +/- 0.31   0.359% *  0.5920% (1.00   0.02   0.67) =   0.002%
          HB    ILE   19 - HA    GLU-  15   6.54 +/- 0.82   0.335% *  0.3352% (0.57   0.02   0.02) =   0.001%
        T HB3   PRO   68 - HA    GLU-  15  10.16 +/- 2.44   0.047% *  0.4740% (0.80   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU   40   7.52 +/- 0.55   0.134% *  0.1066% (0.18   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU-  15   9.26 +/- 0.99   0.043% *  0.2434% (0.41   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ASN   35   7.23 +/- 1.52   0.364% *  0.0244% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLU-  15   8.85 +/- 1.21   0.060% *  0.1037% (0.18   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HA    LEU   40  12.30 +/- 1.72   0.008% *  0.4787% (0.81   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  15  11.52 +/- 1.52   0.012% *  0.2881% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU   40  12.93 +/- 2.17   0.010% *  0.2330% (0.39   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HA    LEU   40  13.30 +/- 0.86   0.004% *  0.3833% (0.65   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU   40  12.49 +/- 0.35   0.006% *  0.2710% (0.46   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU   40  11.07 +/- 0.41   0.012% *  0.0838% (0.14   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU   40  13.45 +/- 0.54   0.004% *  0.1968% (0.33   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ASN   35   9.57 +/- 0.33   0.028% *  0.0192% (0.03   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HA    LEU   40  16.33 +/- 0.47   0.001% *  0.4787% (0.81   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ASN   35  13.59 +/- 1.90   0.004% *  0.1098% (0.19   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ASN   35  11.50 +/- 0.38   0.009% *  0.0451% (0.08   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU-  15  18.13 +/- 1.12   0.001% *  0.5600% (0.95   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    LEU   40  16.56 +/- 0.45   0.001% *  0.3097% (0.52   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ASN   35  13.74 +/- 0.48   0.003% *  0.0621% (0.10   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU   40  20.98 +/- 0.38   0.000% *  0.4528% (0.76   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LEU   40  16.09 +/- 0.49   0.001% *  0.0838% (0.14   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LEU   40  21.66 +/- 0.50   0.000% *  0.4745% (0.80   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ASN   35  17.04 +/- 0.55   0.001% *  0.1038% (0.18   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  15  22.68 +/- 0.73   0.000% *  0.3830% (0.65   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLU-  15  19.57 +/- 2.05   0.000% *  0.1318% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ASN   35  18.53 +/- 0.50   0.001% *  0.0879% (0.15   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ASN   35  19.39 +/- 0.68   0.000% *  0.1098% (0.19   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  15  26.91 +/- 0.57   0.000% *  0.5867% (0.99   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU-  15  20.20 +/- 0.40   0.000% *  0.1037% (0.18   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ASN   35  18.80 +/- 1.76   0.001% *  0.0534% (0.09   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ASN   35  22.17 +/- 0.46   0.000% *  0.0710% (0.12   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ASN   35  27.72 +/- 0.65   0.000% *  0.1088% (0.18   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ASN   35  23.48 +/- 0.58   0.000% *  0.0192% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.99, support = 2.15, residual support = 9.49:
    * O T HA    GLU-  15 - QG    GLU-  15   2.47 +/- 0.51  89.961% * 29.7886% (1.00   2.10  10.02) =  91.891%  kept
        T HA    GLU-  15 - QG    GLU-  14   4.91 +/- 0.61   4.189% * 34.2015% (0.88   2.75   1.33) =   4.913%  kept
          HA    SER   13 - QG    GLU-  14   4.84 +/- 0.57   2.822% * 32.7851% (0.88   2.63   6.65) =   3.172%  kept
          HA    SER   13 - QG    GLU-  15   6.39 +/- 1.25   2.041% *  0.2831% (1.00   0.02   0.02) =   0.020%
          HA    GLN   17 - QG    GLU-  15   7.04 +/- 0.46   0.293% *  0.1603% (0.57   0.02   0.67) =   0.002%
          HA    SER   13 - QB    MET   11   6.48 +/- 0.69   0.451% *  0.0683% (0.24   0.02   0.02) =   0.001%
          HA    GLN   17 - QG    GLU-  14   7.93 +/- 0.93   0.145% *  0.1410% (0.50   0.02   0.02) =   0.001%
          HA    SER   37 - QG    GLU-  15  10.18 +/- 2.07   0.037% *  0.1603% (0.57   0.02   0.02) =   0.000%
        T HA    LEU   40 - QG    GLU-  15  11.86 +/- 1.79   0.011% *  0.2678% (0.95   0.02   0.02) =   0.000%
        T HA    GLU-  15 - QB    MET   11  11.69 +/- 1.45   0.012% *  0.0683% (0.24   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLU-  14  14.25 +/- 1.89   0.005% *  0.1410% (0.50   0.02   0.02) =   0.000%
        T HA    LEU   40 - QG    GLU-  14  16.02 +/- 1.90   0.002% *  0.2356% (0.83   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  15  16.37 +/- 0.69   0.002% *  0.2825% (1.00   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  15  12.95 +/- 2.09   0.007% *  0.0630% (0.22   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLU-  14  16.94 +/- 1.17   0.001% *  0.2486% (0.88   0.02   0.02) =   0.000%
          HA    SER   37 - QB    MET   11  16.05 +/- 4.10   0.004% *  0.0386% (0.14   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  15  13.97 +/- 1.94   0.004% *  0.0383% (0.14   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  15  17.00 +/- 1.04   0.002% *  0.0966% (0.34   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  14  18.75 +/- 1.94   0.001% *  0.1612% (0.57   0.02   0.02) =   0.000%
        T HA    ASN   35 - QG    GLU-  14  16.31 +/- 2.09   0.002% *  0.0555% (0.20   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLU-  15  19.03 +/- 0.93   0.001% *  0.1832% (0.65   0.02   0.02) =   0.000%
          HA    GLN   17 - QB    MET   11  15.55 +/- 1.23   0.002% *  0.0386% (0.14   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  15  19.54 +/- 0.77   0.001% *  0.0706% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  99 - QG    GLU-  14  18.04 +/- 1.97   0.001% *  0.0337% (0.12   0.02   0.02) =   0.000%
          HA    LEU  123 - QG    GLU-  14  20.79 +/- 1.44   0.000% *  0.0850% (0.30   0.02   0.02) =   0.000%
          HA    ILE   56 - QG    GLU-  14  20.36 +/- 1.56   0.000% *  0.0621% (0.22   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    MET   11  20.97 +/- 2.95   0.000% *  0.0646% (0.23   0.02   0.02) =   0.000%
        T HA    ASN   35 - QB    MET   11  19.49 +/- 4.23   0.001% *  0.0152% (0.05   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    MET   11  24.56 +/- 1.69   0.000% *  0.0681% (0.24   0.02   0.02) =   0.000%
          HA    THR   46 - QB    MET   11  26.43 +/- 2.70   0.000% *  0.0442% (0.16   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    MET   11  22.70 +/- 3.40   0.000% *  0.0092% (0.03   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    MET   11  26.41 +/- 1.41   0.000% *  0.0233% (0.08   0.02   0.02) =   0.000%
          HA    ILE   56 - QB    MET   11  28.11 +/- 1.71   0.000% *  0.0170% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 55 (2.27, 2.27, 36.40 ppm):
    3 diagonal assignments:
    *     QG    GLU-  15 - QG    GLU-  15  (1.00)  kept
          QG    GLU-  14 - QG    GLU-  14  (0.85)  kept
          QB    MET   11 - QB    MET   11  (0.18)  kept
 
    Peak 59 (4.04, 4.04, 45.84 ppm):
    1 diagonal assignment:
    *     HA1   GLY   16 - HA1   GLY   16  (1.00)  kept
 
    Peak 60 (4.42, 4.42, 54.38 ppm):
    1 diagonal assignment:
    *     HA    GLN   17 - HA    GLN   17  (1.00)  kept
 
    Peak 61 (2.01, 4.42, 54.38 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.8:
    * O T HB2   GLN   17 - HA    GLN   17   2.54 +/- 0.06  99.264% * 96.8891% (1.00   4.00  83.81) =  99.997%  kept
        T QB    GLU-  15 - HA    GLN   17   6.71 +/- 0.35   0.320% *  0.4844% (1.00   0.02   0.67) =   0.002%
        T HB3   PRO   68 - HA    GLN   17   9.08 +/- 2.40   0.160% *  0.3879% (0.80   0.02   0.02) =   0.001%
          HB    ILE   19 - HA    GLN   17   7.31 +/- 0.34   0.184% *  0.2743% (0.57   0.02   0.02) =   0.001%
          HG2   PRO   68 - HA    GLN   17   9.84 +/- 1.77   0.050% *  0.2358% (0.49   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLN   17  12.32 +/- 0.76   0.009% *  0.1992% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    GLN   17  11.77 +/- 0.52   0.011% *  0.0848% (0.18   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLN   17  19.20 +/- 0.66   0.001% *  0.3134% (0.65   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLN   17  20.65 +/- 0.72   0.000% *  0.4583% (0.95   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   17  15.75 +/- 0.46   0.002% *  0.0848% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLN   17  22.48 +/- 0.62   0.000% *  0.4802% (0.99   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   17  21.60 +/- 1.07   0.000% *  0.1079% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 62 (2.21, 4.42, 54.38 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 83.8:
    * O T QG    GLN   17 - HA    GLN   17   3.01 +/- 0.49  99.796% * 97.6147% (0.76   4.31  83.81) =  99.999%  kept
        T HB    VAL   70 - HA    GLN   17   9.23 +/- 0.81   0.187% *  0.4947% (0.84   0.02   0.02) =   0.001%
          HB2   MET   96 - HA    GLN   17  15.69 +/- 0.33   0.007% *  0.5870% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   17  17.43 +/- 0.78   0.004% *  0.3353% (0.57   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   17  19.65 +/- 1.21   0.002% *  0.3831% (0.65   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLN   17  20.25 +/- 0.65   0.001% *  0.3831% (0.65   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   17  18.50 +/- 0.44   0.003% *  0.2020% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.207, support = 3.64, residual support = 54.5:
    * O T HA    GLN   17 - HB2   GLN   17   2.54 +/- 0.06  42.518% * 61.9149% (0.24   4.00  83.81) =  60.347%  kept
      O T HA    GLU-  15 - QB    GLU-  15   2.42 +/- 0.14  56.675% * 30.5172% (0.15   3.10  10.02) =  39.648%  kept
          HA    SER   13 - QB    GLU-  15   6.04 +/- 0.77   0.321% *  0.1967% (0.15   0.02   0.02) =   0.001%
        T HA    GLN   17 - HB3   PRO   68   9.08 +/- 2.40   0.067% *  0.7767% (0.61   0.02   0.02) =   0.001%
        T HA    GLN   17 - QB    GLU-  15   6.71 +/- 0.35   0.138% *  0.3475% (0.27   0.02   0.67) =   0.001%
        T HA    GLU-  15 - HB2   GLN   17   6.26 +/- 0.31   0.201% *  0.1753% (0.14   0.02   0.67) =   0.001%
        T HA    GLU-  15 - HB3   PRO   68  10.16 +/- 2.44   0.026% *  0.4397% (0.34   0.02   0.02) =   0.000%
          HA    SER   37 - QB    GLU-  15  10.69 +/- 2.11   0.014% *  0.3475% (0.27   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN   17  10.81 +/- 1.35   0.015% *  0.1753% (0.14   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   GLN   17  11.59 +/- 0.74   0.005% *  0.1629% (0.13   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   68  15.12 +/- 2.52   0.002% *  0.4397% (0.34   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   PRO   68  13.30 +/- 0.86   0.002% *  0.2915% (0.23   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   68  15.51 +/- 0.63   0.001% *  0.7767% (0.61   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   PRO   68  14.24 +/- 0.40   0.001% *  0.4711% (0.37   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    GLU-  15  12.93 +/- 1.22   0.003% *  0.2108% (0.16   0.02   0.02) =   0.000%
        T HA    LEU   40 - QB    GLU-  15  12.30 +/- 1.72   0.004% *  0.1304% (0.10   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   PRO   68  15.38 +/- 1.01   0.001% *  0.4086% (0.32   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   17  13.64 +/- 0.29   0.002% *  0.1878% (0.15   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   GLN   17  15.80 +/- 0.76   0.001% *  0.3068% (0.24   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    GLU-  15  16.18 +/- 0.55   0.001% *  0.1828% (0.14   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   GLN   17  18.26 +/- 1.04   0.000% *  0.3096% (0.24   0.02   0.02) =   0.000%
          HA    THR   46 - QB    GLU-  15  19.23 +/- 0.47   0.000% *  0.3444% (0.27   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   GLN   17  16.33 +/- 0.47   0.001% *  0.1162% (0.09   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   PRO   68  22.71 +/- 0.89   0.000% *  0.7698% (0.60   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 64 (2.01, 2.01, 31.84 ppm):
    3 diagonal assignments:
          HB3   PRO   68 - HB3   PRO   68  (0.49)  kept
          QB    GLU-  15 - QB    GLU-  15  (0.27)  kept
    *     HB2   GLN   17 - HB2   GLN   17  (0.24)  kept
 
    Peak 65 (2.21, 2.01, 31.84 ppm):
    21 chemical-shift based assignments, quality = 0.185, support = 4.31, residual support = 83.8:
    * O T QG    GLN   17 - HB2   GLN   17   2.37 +/- 0.07  96.763% * 88.4947% (0.18   4.31  83.81) =  99.981%  kept
        T QG    GLN   17 - QB    GLU-  15   4.99 +/- 0.78   3.032% *  0.4606% (0.21   0.02   0.67) =   0.016%
        T HB    VAL   70 - HB3   PRO   68   7.69 +/- 0.25   0.085% *  1.1252% (0.51   0.02   0.02) =   0.001%
        T QG    GLN   17 - HB3   PRO   68   9.61 +/- 2.24   0.064% *  1.0295% (0.46   0.02   0.02) =   0.001%
        T HB    VAL   70 - QB    GLU-  15   9.15 +/- 1.14   0.038% *  0.5034% (0.23   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB2   GLN   17  11.44 +/- 0.79   0.009% *  0.4485% (0.20   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB3   PRO   68  16.89 +/- 1.25   0.001% *  0.8715% (0.39   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - QB    GLU-  15  15.50 +/- 2.26   0.002% *  0.3899% (0.18   0.02   0.02) =   0.000%
          HB2   MET   96 - QB    GLU-  15  16.24 +/- 1.21   0.001% *  0.5973% (0.27   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   PRO   68  18.64 +/- 0.47   0.000% *  1.3352% (0.60   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   GLN   17  16.63 +/- 0.29   0.001% *  0.5322% (0.24   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLN   17  16.31 +/- 0.97   0.001% *  0.3040% (0.14   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - QB    GLU-  15  17.17 +/- 1.09   0.001% *  0.3899% (0.18   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   PRO   68  18.07 +/- 1.43   0.001% *  0.4595% (0.21   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB2   GLN   17  19.06 +/- 0.66   0.000% *  0.3473% (0.16   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QB    GLU-  15  19.11 +/- 0.63   0.000% *  0.3412% (0.15   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QB    GLU-  15  19.53 +/- 1.11   0.000% *  0.2056% (0.09   0.02   0.02) =   0.000%
        T HG2   GLU- 100 - HB2   GLN   17  21.38 +/- 1.26   0.000% *  0.3473% (0.16   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   PRO   68  25.19 +/- 1.75   0.000% *  0.7627% (0.34   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HB3   PRO   68  26.56 +/- 1.62   0.000% *  0.8715% (0.39   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   GLN   17  20.28 +/- 0.49   0.000% *  0.1831% (0.08   0.02   0.02) =   0.000%
    Distance limit 2.71 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 = 0.749, support = 4.15, residual support = 80.0:
    * O T HA    GLN   17 - QG    GLN   17   3.01 +/- 0.49  65.222% * 89.2924% (0.76   4.31  83.81) =  95.449%  kept
          HA    GLU-  15 - QG    GLN   17   4.00 +/- 0.95  32.468% *  8.5469% (0.43   0.73   0.67) =   4.548%  kept
          HA    SER   13 - QG    GLN   17   8.09 +/- 1.25   0.464% *  0.2344% (0.43   0.02   0.02) =   0.002%
          HA    LEU   40 - HB    VAL   70   6.54 +/- 0.79   1.158% *  0.0318% (0.06   0.02  32.81) =   0.001%
          HA    VAL   42 - HB    VAL   70   7.08 +/- 0.29   0.455% *  0.0514% (0.09   0.02   1.25) =   0.000%
        T HA    GLN   17 - HB    VAL   70   9.23 +/- 0.81   0.099% *  0.0848% (0.16   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   17  12.39 +/- 0.69   0.017% *  0.2511% (0.46   0.02   0.02) =   0.000%
          HA    PRO   58 - QG    GLN   17  11.73 +/- 1.15   0.018% *  0.2178% (0.40   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    VAL   70  10.10 +/- 0.85   0.054% *  0.0480% (0.09   0.02   0.02) =   0.000%
          HA    SER   37 - QG    GLN   17  15.10 +/- 1.60   0.006% *  0.4140% (0.76   0.02   0.02) =   0.000%
          HA    THR   46 - QG    GLN   17  15.24 +/- 0.51   0.004% *  0.4104% (0.76   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   70  12.32 +/- 0.71   0.016% *  0.0848% (0.16   0.02   0.02) =   0.000%
          HA    LEU   40 - QG    GLN   17  14.16 +/- 0.90   0.008% *  0.1554% (0.29   0.02   0.02) =   0.000%
          HA    PRO   58 - HB    VAL   70  14.32 +/- 0.77   0.006% *  0.0446% (0.08   0.02   0.02) =   0.000%
          HA    SER   13 - HB    VAL   70  16.41 +/- 1.01   0.003% *  0.0480% (0.09   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   70  18.01 +/- 0.62   0.002% *  0.0841% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 67 (2.01, 2.21, 33.80 ppm):
    24 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 83.8:
    * O T HB2   GLN   17 - QG    GLN   17   2.37 +/- 0.07  95.639% * 96.4483% (0.76   4.31  83.81) =  99.983%  kept
        T QB    GLU-  15 - QG    GLN   17   4.99 +/- 0.78   2.994% *  0.4472% (0.76   0.02   0.67) =   0.015%
          HB    ILE   19 - QG    GLN   17   5.94 +/- 1.48   0.803% *  0.2532% (0.43   0.02   0.02) =   0.002%
        T HB3   PRO   68 - QG    GLN   17   9.61 +/- 2.24   0.064% *  0.3581% (0.61   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB    VAL   70   7.21 +/- 1.23   0.259% *  0.0446% (0.08   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB    VAL   70   7.69 +/- 0.25   0.084% *  0.0734% (0.13   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLN   17   9.86 +/- 1.48   0.025% *  0.1839% (0.31   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLN   17  10.58 +/- 1.64   0.021% *  0.2177% (0.37   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HB    VAL   70   9.15 +/- 1.14   0.037% *  0.0916% (0.16   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG    GLN   17   9.81 +/- 1.64   0.027% *  0.0783% (0.13   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HB    VAL   70  11.44 +/- 0.79   0.008% *  0.0916% (0.16   0.02   0.02) =   0.000%
          HB    ILE   19 - HB    VAL   70  10.39 +/- 0.60   0.015% *  0.0519% (0.09   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLN   17  17.06 +/- 1.73   0.001% *  0.4230% (0.72   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB    VAL   70  11.69 +/- 0.42   0.007% *  0.0160% (0.03   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG    GLN   17  19.06 +/- 0.71   0.000% *  0.2893% (0.49   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB    VAL   70  13.69 +/- 0.74   0.003% *  0.0377% (0.06   0.02   0.02) =   0.000%
          HB    ILE  119 - HB    VAL   70  12.49 +/- 0.56   0.005% *  0.0160% (0.03   0.02   0.02) =   0.000%
          HB    ILE  119 - QG    GLN   17  16.58 +/- 0.78   0.001% *  0.0783% (0.13   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG    GLN   17  22.14 +/- 0.75   0.000% *  0.4433% (0.76   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB    VAL   70  15.83 +/- 0.56   0.001% *  0.0593% (0.10   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - HB    VAL   70  13.60 +/- 0.91   0.003% *  0.0204% (0.03   0.02   0.02) =   0.000%
        T HB3   GLU- 100 - QG    GLN   17  20.05 +/- 1.49   0.000% *  0.0996% (0.17   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB    VAL   70  20.21 +/- 0.64   0.000% *  0.0908% (0.16   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HB    VAL   70  22.44 +/- 0.65   0.000% *  0.0867% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.53 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 = 78.4:
    * O T HB    VAL   18 - HA    VAL   18   2.78 +/- 0.32  99.707% * 98.2725% (1.00   3.58  78.41) =  99.999%  kept
          HB2   LEU   67 - HA    VAL   18   7.85 +/- 0.66   0.270% *  0.4922% (0.90   0.02   0.02) =   0.001%
          HB2   LEU   40 - HA    VAL   18  12.71 +/- 0.80   0.013% *  0.1872% (0.34   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    VAL   18  14.68 +/- 0.37   0.006% *  0.2671% (0.49   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    VAL   18  17.68 +/- 0.85   0.002% *  0.4922% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    VAL   18  16.21 +/- 0.48   0.003% *  0.2888% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 71 (0.86, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 78.4:
    * O T QG1   VAL   18 - HA    VAL   18   2.60 +/- 0.16  99.429% * 98.0966% (1.00   4.15  78.41) =  99.998%  kept
          QD1   LEU   71 - HA    VAL   18   7.41 +/- 0.96   0.382% *  0.3953% (0.84   0.02   0.02) =   0.002%
          HB3   LEU   63 - HA    VAL   18   8.28 +/- 0.75   0.112% *  0.3251% (0.69   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HA    VAL   18   9.01 +/- 0.64   0.066% *  0.4639% (0.98   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   18  13.01 +/- 1.07   0.008% *  0.3953% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   18  17.17 +/- 0.54   0.001% *  0.2303% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    VAL   18  16.47 +/- 0.74   0.002% *  0.0937% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 72 (0.75, 4.00, 62.64 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 78.4:
    * O T QG2   VAL   18 - HA    VAL   18   2.44 +/- 0.46  99.124% * 98.0223% (1.00   4.15  78.41) =  99.997%  kept
          QD1   ILE   19 - HA    VAL   18   6.07 +/- 0.05   0.679% *  0.3434% (0.73   0.02  22.56) =   0.002%
          QG1   VAL   43 - HA    VAL   18   8.68 +/- 0.57   0.085% *  0.4365% (0.92   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   18   9.25 +/- 0.68   0.049% *  0.4635% (0.98   0.02   0.02) =   0.000%
        T QG1   VAL   41 - HA    VAL   18   9.74 +/- 0.42   0.047% *  0.3614% (0.76   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    VAL   18  12.60 +/- 0.85   0.012% *  0.1053% (0.22   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   18  15.34 +/- 0.74   0.003% *  0.2677% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.03 A, kept.
 
    Peak 73 (4.00, 1.96, 32.56 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.58, residual support = 78.4:
    * O T HA    VAL   18 - HB    VAL   18   2.78 +/- 0.32  99.966% * 96.6283% (1.00   3.58  78.41) = 100.000%  kept
          HA    VAL   70 - HB    VAL   18  11.94 +/- 1.38   0.016% *  0.3707% (0.69   0.02   0.02) =   0.000%
          HA    SER   48 - HB    VAL   18  15.20 +/- 0.99   0.005% *  0.3919% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   18  17.16 +/- 0.61   0.002% *  0.5384% (1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   18  17.07 +/- 0.85   0.002% *  0.5105% (0.95   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   18  16.67 +/- 0.93   0.002% *  0.3707% (0.69   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB    VAL   18  15.73 +/- 0.55   0.004% *  0.1500% (0.28   0.02   0.02) =   0.000%
          HA    GLN   32 - HB    VAL   18  18.64 +/- 1.01   0.001% *  0.2419% (0.45   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    VAL   18  22.22 +/- 0.56   0.000% *  0.5349% (0.99   0.02   0.02) =   0.000%
          HA    ALA   88 - HB    VAL   18  21.67 +/- 0.91   0.000% *  0.2627% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 78.4:
    * O T QG1   VAL   18 - HB    VAL   18   2.11 +/- 0.01  99.907% * 97.7147% (1.00   3.44  78.41) = 100.000%  kept
          HB3   LEU   63 - HB    VAL   18   8.56 +/- 1.51   0.060% *  0.3903% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB    VAL   18   9.51 +/- 1.18   0.019% *  0.4746% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   70 - HB    VAL   18  10.35 +/- 1.20   0.010% *  0.5569% (0.98   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB    VAL   18  13.12 +/- 1.47   0.002% *  0.4746% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   18  18.44 +/- 1.58   0.000% *  0.2766% (0.49   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB    VAL   18  16.28 +/- 0.95   0.001% *  0.1124% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 76 (0.75, 1.96, 32.56 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 78.4:
    * O T QG2   VAL   18 - HB    VAL   18   2.12 +/- 0.01  99.893% * 97.4977% (1.00   3.26  78.41) =  99.999%  kept
          QD1   ILE   19 - HB    VAL   18   7.32 +/- 0.21   0.059% *  0.4344% (0.73   0.02  22.56) =   0.000%
          QG2   THR   46 - HB    VAL   18   8.44 +/- 0.66   0.028% *  0.5864% (0.98   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    VAL   18   9.98 +/- 1.22   0.013% *  0.5523% (0.92   0.02   0.02) =   0.000%
        T QG1   VAL   41 - HB    VAL   18  11.61 +/- 1.11   0.005% *  0.4572% (0.76   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   18  16.65 +/- 1.46   0.001% *  0.3387% (0.57   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    VAL   18  14.59 +/- 1.43   0.001% *  0.1332% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 77 (4.00, 0.86, 22.91 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 78.4:
    * O T HA    VAL   18 - QG1   VAL   18   2.60 +/- 0.16  99.918% * 97.0741% (1.00   4.15  78.41) = 100.000%  kept
        T HA    VAL   70 - QG1   VAL   18  10.42 +/- 0.87   0.029% *  0.3217% (0.69   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   18  11.14 +/- 0.86   0.020% *  0.3400% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   18  13.23 +/- 0.57   0.006% *  0.4673% (1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   18  13.80 +/- 0.70   0.005% *  0.4430% (0.95   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   18  11.97 +/- 0.51   0.012% *  0.1302% (0.28   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   18  14.24 +/- 0.47   0.004% *  0.3217% (0.69   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   18  16.65 +/- 0.47   0.002% *  0.4641% (0.99   0.02   0.02) =   0.000%
          HA    GLN   32 - QG1   VAL   18  14.69 +/- 0.78   0.003% *  0.2099% (0.45   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   18  16.48 +/- 0.49   0.002% *  0.2279% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 78.4:
    * O T HB    VAL   18 - QG1   VAL   18   2.11 +/- 0.01  99.959% * 98.2027% (1.00   3.44  78.41) = 100.000%  kept
          HB2   LEU   67 - QG1   VAL   18   8.46 +/- 0.65   0.028% *  0.5121% (0.90   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   18  11.01 +/- 0.45   0.005% *  0.2779% (0.49   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   18  12.58 +/- 0.79   0.002% *  0.5121% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   18  12.64 +/- 0.50   0.002% *  0.3004% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG1   VAL   18  12.36 +/- 1.04   0.003% *  0.1948% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 78.4:
    * O T QG2   VAL   18 - QG1   VAL   18   2.00 +/- 0.06  99.406% * 97.9516% (1.00   4.00  78.41) =  99.997%  kept
          QG2   THR   46 - QG1   VAL   18   5.65 +/- 0.59   0.246% *  0.4801% (0.98   0.02   0.02) =   0.001%
          QD1   ILE   19 - QG1   VAL   18   5.35 +/- 0.13   0.278% *  0.3556% (0.73   0.02  22.56) =   0.001%
          QG1   VAL   43 - QG1   VAL   18   7.34 +/- 0.77   0.053% *  0.4521% (0.92   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QG1   VAL   18   9.23 +/- 0.76   0.012% *  0.3743% (0.76   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   VAL   18  10.89 +/- 0.98   0.005% *  0.1090% (0.22   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QG1   VAL   18  13.68 +/- 0.84   0.001% *  0.2773% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (4.00, 0.75, 22.78 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.15, residual support = 78.4:
    * O T HA    VAL   18 - QG2   VAL   18   2.44 +/- 0.46  98.200% * 94.1412% (1.00   4.15  78.41) =  99.995%  kept
          HA    VAL   70 - QG1   VAL   41   5.68 +/- 0.45   1.001% *  0.2384% (0.52   0.02   2.71) =   0.003%
          HA    LYS+  33 - QG1   VAL   41   7.21 +/- 0.27   0.235% *  0.3283% (0.72   0.02   0.02) =   0.001%
          HA    GLN   32 - QG1   VAL   41   6.91 +/- 0.31   0.332% *  0.1556% (0.34   0.02   0.02) =   0.001%
        T HA    VAL   18 - QG1   VAL   41   9.74 +/- 0.42   0.046% *  0.3471% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   41   9.66 +/- 0.23   0.042% *  0.3463% (0.76   0.02   0.02) =   0.000%
          HA    VAL   70 - QG2   VAL   18   9.52 +/- 0.36   0.039% *  0.3120% (0.69   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   VAL   18  12.67 +/- 0.80   0.009% *  0.3298% (0.73   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   18  12.75 +/- 0.30   0.007% *  0.3120% (0.69   0.02   0.02) =   0.000%
          HA    VAL   70 - QD2   LEU  104   9.69 +/- 0.58   0.043% *  0.0479% (0.11   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   18  14.74 +/- 0.45   0.003% *  0.4531% (1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   18  14.47 +/- 0.39   0.003% *  0.4296% (0.95   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   VAL   18  12.56 +/- 0.57   0.009% *  0.1263% (0.28   0.02   0.02) =   0.000%
          HB2   SER   82 - QG1   VAL   41  16.34 +/- 0.66   0.002% *  0.3440% (0.76   0.02   0.02) =   0.000%
          HA    ALA   88 - QG1   VAL   41  14.78 +/- 0.81   0.003% *  0.1689% (0.37   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   VAL   18  15.68 +/- 0.38   0.002% *  0.2036% (0.45   0.02   0.02) =   0.000%
          HB2   SER   82 - QG2   VAL   18  18.54 +/- 0.67   0.001% *  0.4501% (0.99   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   41  16.95 +/- 0.44   0.001% *  0.2384% (0.52   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   VAL   18  17.52 +/- 0.64   0.001% *  0.2211% (0.49   0.02   0.02) =   0.000%
        T HA    VAL   18 - QD2   LEU  104  15.34 +/- 0.74   0.003% *  0.0698% (0.15   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD2   LEU  104  14.99 +/- 0.54   0.003% *  0.0660% (0.15   0.02   0.02) =   0.000%
          HA    GLN  116 - QD2   LEU  104  14.38 +/- 0.50   0.004% *  0.0479% (0.11   0.02   0.02) =   0.000%
          HA    SER   48 - QG1   VAL   41  19.27 +/- 0.53   0.001% *  0.2520% (0.55   0.02   0.02) =   0.000%
          HA    GLN   32 - QD2   LEU  104  14.34 +/- 0.63   0.004% *  0.0313% (0.07   0.02   0.02) =   0.000%
          HA    ALA   88 - QD2   LEU  104  15.37 +/- 0.69   0.002% *  0.0340% (0.07   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD2   LEU  104  17.86 +/- 0.66   0.001% *  0.0696% (0.15   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG1   VAL   41  19.65 +/- 0.41   0.001% *  0.0965% (0.21   0.02   0.02) =   0.000%
          HB2   SER   82 - QD2   LEU  104  21.03 +/- 0.63   0.000% *  0.0692% (0.15   0.02   0.02) =   0.000%
          HA    SER   48 - QD2   LEU  104  23.58 +/- 0.61   0.000% *  0.0507% (0.11   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD2   LEU  104  21.67 +/- 0.54   0.000% *  0.0194% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 82 (1.96, 0.75, 22.78 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 3.26, residual support = 78.4:
    * O T HB    VAL   18 - QG2   VAL   18   2.12 +/- 0.01  99.156% * 95.9069% (1.00   3.26  78.41) =  99.998%  kept
          HB2   LEU   67 - QG2   VAL   18   6.64 +/- 0.83   0.148% *  0.5278% (0.90   0.02   0.02) =   0.001%
          HB2   LEU   40 - QG1   VAL   41   5.19 +/- 0.15   0.464% *  0.1534% (0.26   0.02  17.85) =   0.001%
          HB2   LEU   40 - QD2   LEU  104   6.30 +/- 0.70   0.187% *  0.0308% (0.05   0.02   0.02) =   0.000%
          HB2   LEU   67 - QG1   VAL   41   9.44 +/- 0.63   0.014% *  0.4034% (0.69   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG2   VAL   18   9.80 +/- 0.29   0.010% *  0.2865% (0.49   0.02   0.02) =   0.000%
        T HB    VAL   18 - QG1   VAL   41  11.61 +/- 1.11   0.005% *  0.4498% (0.76   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG2   VAL   18  12.47 +/- 0.66   0.002% *  0.5278% (0.90   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG2   VAL   18  11.75 +/- 0.45   0.003% *  0.3096% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   40 - QG2   VAL   18  11.59 +/- 0.61   0.004% *  0.2008% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD2   LEU  104  11.91 +/- 1.17   0.004% *  0.0811% (0.14   0.02   0.02) =   0.000%
          HB2   LEU  115 - QG1   VAL   41  16.15 +/- 0.67   0.001% *  0.2366% (0.40   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU  104  14.51 +/- 0.59   0.001% *  0.0476% (0.08   0.02   0.02) =   0.000%
        T HB    VAL   18 - QD2   LEU  104  16.65 +/- 1.46   0.001% *  0.0904% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   58 - QG1   VAL   41  19.00 +/- 0.30   0.000% *  0.2189% (0.37   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QG1   VAL   41  21.55 +/- 0.41   0.000% *  0.4034% (0.69   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU  104  19.80 +/- 0.51   0.000% *  0.0440% (0.07   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  104  23.16 +/- 0.56   0.000% *  0.0811% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 76.9:
    * O T QG1   VAL   18 - QG2   VAL   18   2.00 +/- 0.06  82.186% * 87.3372% (1.00   4.00  78.41) =  98.055%  kept
      O T HB3   LEU  104 - QD2   LEU  104   2.68 +/- 0.19  15.893% *  8.9259% (0.07   5.47 219.26) =   1.938%
          QD1   LEU   71 - QG1   VAL   41   4.14 +/- 0.56   1.537% *  0.2788% (0.64   0.02   2.75) =   0.006%
          HB3   LEU   63 - QG2   VAL   18   6.10 +/- 0.60   0.131% *  0.3000% (0.69   0.02   0.02) =   0.001%
          QG1   VAL   70 - QG1   VAL   41   6.06 +/- 0.38   0.115% *  0.3271% (0.75   0.02   2.71) =   0.001%
          QD1   LEU   71 - QG2   VAL   18   8.01 +/- 0.81   0.029% *  0.3648% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   8.09 +/- 0.61   0.022% *  0.4280% (0.98   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QG1   VAL   41   9.23 +/- 0.76   0.010% *  0.3337% (0.76   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD2   LEU  104   7.40 +/- 0.56   0.036% *  0.0658% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  10.09 +/- 0.81   0.006% *  0.3648% (0.84   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41   9.03 +/- 0.41   0.010% *  0.1624% (0.37   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  10.10 +/- 0.47   0.005% *  0.2292% (0.52   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  11.97 +/- 0.81   0.002% *  0.2788% (0.64   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU  104   9.99 +/- 0.54   0.006% *  0.0560% (0.13   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  10.74 +/- 0.61   0.004% *  0.0560% (0.13   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  14.51 +/- 0.46   0.001% *  0.2126% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  11.39 +/- 0.66   0.003% *  0.0461% (0.11   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG2   VAL   18  12.85 +/- 0.62   0.001% *  0.0864% (0.20   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  13.68 +/- 0.84   0.001% *  0.0671% (0.15   0.02   0.02) =   0.000%
          QG1   VAL  108 - QG1   VAL   41  13.62 +/- 0.83   0.001% *  0.0660% (0.15   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU  104  12.57 +/- 0.65   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 = 164.7:
    * O T HB    ILE   19 - HA    ILE   19   2.83 +/- 0.02  98.106% * 98.1651% (1.00   5.75 164.67) =  99.996%  kept
          HB2   GLN   17 - HA    ILE   19   5.58 +/- 0.16   1.698% *  0.1933% (0.57   0.02   0.02) =   0.003%
          QB    GLU-  15 - HA    ILE   19   8.20 +/- 0.39   0.175% *  0.1933% (0.57   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    ILE   19  14.03 +/- 0.67   0.007% *  0.2609% (0.76   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ILE   19  15.57 +/- 1.16   0.004% *  0.3384% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ILE   19  14.74 +/- 2.16   0.007% *  0.0760% (0.22   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    ILE   19  20.60 +/- 0.66   0.001% *  0.3384% (0.99   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    ILE   19  17.86 +/- 0.35   0.002% *  0.1404% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  115 - HA    ILE   19  19.82 +/- 0.50   0.001% *  0.1281% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE   19  23.89 +/- 0.57   0.000% *  0.1662% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 164.6:
    * O T HG12  ILE   19 - HA    ILE   19   3.37 +/- 0.04  91.178% * 97.8530% (1.00   6.31 164.67) =  99.983%  kept
          HB3   LYS+  74 - HA    ILE   19   5.13 +/- 0.26   7.682% *  0.1755% (0.57   0.02   8.48) =   0.015%
        T HG    LEU   73 - HA    ILE   19   7.47 +/- 0.43   0.825% *  0.1057% (0.34   0.02   5.03) =   0.001%
          QB    ALA   61 - HA    ILE   19   9.55 +/- 0.33   0.180% *  0.2689% (0.87   0.02   0.02) =   0.001%
          HB3   LEU   67 - HA    ILE   19  12.27 +/- 1.06   0.048% *  0.2251% (0.73   0.02   0.02) =   0.000%
        T HG    LEU   80 - HA    ILE   19  12.64 +/- 0.83   0.035% *  0.3038% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ILE   19  14.64 +/- 0.75   0.014% *  0.2369% (0.76   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ILE   19  14.30 +/- 0.77   0.016% *  0.1631% (0.53   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    ILE   19  16.53 +/- 0.49   0.007% *  0.3072% (0.99   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ILE   19  14.78 +/- 0.40   0.013% *  0.0957% (0.31   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ILE   19  23.05 +/- 0.95   0.001% *  0.1880% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ILE   19  23.97 +/- 1.03   0.001% *  0.0773% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 164.7:
    * O T HG13  ILE   19 - HA    ILE   19   2.02 +/- 0.06  99.915% * 97.9400% (1.00   5.75 164.67) = 100.000%  kept
          HG2   LYS+  74 - HA    ILE   19   7.60 +/- 0.35   0.037% *  0.3144% (0.92   0.02   8.48) =   0.000%
        T HG    LEU   71 - HA    ILE   19   8.02 +/- 0.92   0.035% *  0.3055% (0.90   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   19  11.72 +/- 0.53   0.003% *  0.2845% (0.84   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   19   9.86 +/- 0.42   0.008% *  0.0758% (0.22   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HA    ILE   19  12.63 +/- 0.32   0.002% *  0.1278% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE   19  19.20 +/- 1.05   0.000% *  0.3222% (0.95   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ILE   19  18.66 +/- 0.43   0.000% *  0.2845% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE   19  19.79 +/- 0.44   0.000% *  0.1928% (0.57   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    ILE   19  17.61 +/- 0.40   0.000% *  0.0849% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    ILE   19  23.99 +/- 0.30   0.000% *  0.0674% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 89 (0.74, 4.18, 60.49 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.69, residual support = 164.7:
    *   T QD1   ILE   19 - HA    ILE   19   2.80 +/- 0.11  97.492% * 98.5207% (1.00   4.69 164.67) =  99.992%  kept
          QG2   VAL   18 - HA    ILE   19   5.37 +/- 0.35   2.331% *  0.3052% (0.73   0.02  22.56) =   0.007%
          QG2   THR   46 - HA    ILE   19   9.33 +/- 0.52   0.079% *  0.3510% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    ILE   19   9.88 +/- 0.63   0.059% *  0.2046% (0.49   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    ILE   19  10.82 +/- 0.40   0.031% *  0.1297% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    ILE   19  17.73 +/- 0.68   0.002% *  0.4056% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   98 - HA    ILE   19  14.22 +/- 0.56   0.006% *  0.0832% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 90 (4.18, 2.00, 37.78 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 164.7:
    * O T HA    ILE   19 - HB    ILE   19   2.83 +/- 0.02  99.909% * 99.1570% (1.00   5.75 164.67) = 100.000%  kept
          HA    THR   26 - HB    ILE   19   9.38 +/- 0.39   0.078% *  0.0860% (0.25   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HB    ILE   19  13.32 +/- 0.24   0.009% *  0.3183% (0.92   0.02   0.02) =   0.000%
          HA    CYS   53 - HB    ILE   19  16.34 +/- 0.43   0.003% *  0.3093% (0.90   0.02   0.02) =   0.000%
        T HA    SER   82 - HB    ILE   19  19.88 +/- 0.40   0.001% *  0.1294% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 164.7:
    * O T HG12  ILE   19 - HB    ILE   19   2.26 +/- 0.03  98.297% * 97.4529% (1.00   5.30 164.67) =  99.997%  kept
        T HG    LEU   73 - HB    ILE   19   4.83 +/- 0.47   1.273% *  0.1254% (0.34   0.02   5.03) =   0.002%
          HB3   LYS+  74 - HB    ILE   19   5.71 +/- 0.27   0.396% *  0.2082% (0.57   0.02   8.48) =   0.001%
          QB    ALA   61 - HB    ILE   19  10.26 +/- 0.29   0.011% *  0.3190% (0.87   0.02   0.02) =   0.000%
        T HB3   LEU   67 - HB    ILE   19  10.77 +/- 0.86   0.010% *  0.2670% (0.73   0.02   0.02) =   0.000%
        T HG    LEU   80 - HB    ILE   19  12.17 +/- 0.79   0.004% *  0.3604% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB    ILE   19  13.84 +/- 0.78   0.002% *  0.2810% (0.76   0.02   0.02) =   0.000%
          QB    LEU   98 - HB    ILE   19  12.39 +/- 0.41   0.004% *  0.1135% (0.31   0.02   0.02) =   0.000%
          QG    LYS+  66 - HB    ILE   19  13.98 +/- 0.61   0.002% *  0.1935% (0.53   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    ILE   19  16.55 +/- 0.46   0.001% *  0.3645% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB    ILE   19  21.18 +/- 0.94   0.000% *  0.2230% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB    ILE   19  21.24 +/- 1.05   0.000% *  0.0917% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 164.7:
    * O T HG13  ILE   19 - HB    ILE   19   2.69 +/- 0.05  97.226% * 97.6380% (1.00   5.00 164.67) =  99.990%  kept
        T HG    LEU   71 - HB    ILE   19   5.60 +/- 1.02   2.317% *  0.3503% (0.90   0.02   0.02) =   0.009%
        T HG2   LYS+  74 - HB    ILE   19   7.82 +/- 0.51   0.176% *  0.3605% (0.92   0.02   8.48) =   0.001%
          QB    ALA   34 - HB    ILE   19   7.53 +/- 0.40   0.218% *  0.0870% (0.22   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   19   9.73 +/- 0.48   0.046% *  0.3262% (0.84   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    ILE   19  12.62 +/- 0.29   0.009% *  0.1466% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB    ILE   19  16.54 +/- 1.05   0.002% *  0.3694% (0.95   0.02   0.02) =   0.000%
          QB    ALA   91 - HB    ILE   19  18.23 +/- 0.40   0.001% *  0.3262% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB    ILE   19  17.13 +/- 0.39   0.001% *  0.2211% (0.57   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    ILE   19  16.19 +/- 0.43   0.002% *  0.0974% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB    ILE   19  23.46 +/- 0.35   0.000% *  0.0773% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 94 (0.74, 2.00, 37.78 ppm):
    7 chemical-shift based assignments, quality = 0.976, support = 0.0195, residual support = 160.7:
    * O T QD1   ILE   19 - HB    ILE   19   3.11 +/- 0.03  96.435% * 22.1249% (1.00   0.02 164.67) =  97.589%  kept
          QG2   VAL   18 - HB    ILE   19   5.65 +/- 0.20   2.767% * 16.0660% (0.73   0.02  22.56) =   2.033%
          QG1   VAL   43 - HB    ILE   19   7.93 +/- 0.63   0.415% * 10.7694% (0.49   0.02   0.02) =   0.204%
          QG2   THR   46 - HB    ILE   19   9.89 +/- 0.48   0.099% * 18.4803% (0.84   0.02   0.02) =   0.084%
          QG1   VAL   41 - HB    ILE   19   8.48 +/- 0.40   0.250% *  6.8288% (0.31   0.02   0.02) =   0.078%
          QD2   LEU  104 - HB    ILE   19  15.61 +/- 0.68   0.006% * 21.3521% (0.97   0.02   0.02) =   0.006%
          QD1   LEU   98 - HB    ILE   19  12.18 +/- 0.54   0.028% *  4.3785% (0.20   0.02   0.02) =   0.006%
    Distance limit 2.79 A violated in 14 structures by 0.32 A, eliminated.
    Peak unassigned.
 
    Peak 95 (4.18, 1.42, 27.25 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.31, residual support = 164.7:
    * O T HA    ILE   19 - HG12  ILE   19   3.37 +/- 0.04  97.329% * 98.4464% (1.00   6.31 164.67) =  99.998%  kept
        T HA    ILE   19 - HG    LEU   73   7.47 +/- 0.43   0.879% *  0.1018% (0.33   0.02   5.03) =   0.001%
          HA    GLU-  25 - HG    LEU   80   8.53 +/- 1.00   0.545% *  0.1181% (0.38   0.02   0.02) =   0.001%
          HA    THR   26 - HG12  ILE   19   8.57 +/- 0.39   0.377% *  0.0778% (0.25   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   80   8.75 +/- 0.53   0.349% *  0.0480% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG12  ILE   19  12.90 +/- 0.31   0.031% *  0.2878% (0.92   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   80   9.25 +/- 0.61   0.249% *  0.0319% (0.10   0.02   0.02) =   0.000%
        T HA    ILE   19 - HG    LEU   80  12.64 +/- 0.83   0.038% *  0.1279% (0.41   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   73  10.05 +/- 0.38   0.142% *  0.0254% (0.08   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   73  12.66 +/- 0.28   0.035% *  0.0940% (0.30   0.02   0.02) =   0.000%
          HA    CYS   53 - HG12  ILE   19  18.44 +/- 0.44   0.004% *  0.2797% (0.90   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   80  16.61 +/- 1.24   0.007% *  0.1147% (0.37   0.02   0.02) =   0.000%
          HA    CYS   53 - HG    LEU   73  16.29 +/- 0.33   0.008% *  0.0913% (0.29   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   73  17.41 +/- 0.59   0.005% *  0.0382% (0.12   0.02   0.02) =   0.000%
          HA    SER   82 - HG12  ILE   19  20.94 +/- 0.45   0.002% *  0.1170% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 164.7:
    * O T HB    ILE   19 - HG12  ILE   19   2.26 +/- 0.03  98.387% * 96.3391% (1.00   5.30 164.67) =  99.998%  kept
        T HB    ILE   19 - HG    LEU   73   4.83 +/- 0.47   1.274% *  0.1187% (0.33   0.02   5.03) =   0.002%
          QB    GLU-  15 - HG12  ILE   19   6.72 +/- 0.65   0.170% *  0.2058% (0.57   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE   19   7.43 +/- 0.48   0.085% *  0.2058% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   80   8.89 +/- 0.97   0.039% *  0.1139% (0.31   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   73   9.96 +/- 1.29   0.018% *  0.0672% (0.18   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE   19  13.04 +/- 0.82   0.003% *  0.2778% (0.76   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG    LEU   80  12.17 +/- 0.79   0.004% *  0.1491% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   73  10.87 +/- 0.47   0.008% *  0.0672% (0.18   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG12  ILE   19  15.21 +/- 0.84   0.001% *  0.3603% (0.99   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   73  13.81 +/- 0.40   0.002% *  0.0907% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE   19  14.23 +/- 1.91   0.002% *  0.0809% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   73  15.06 +/- 0.61   0.001% *  0.1177% (0.32   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   73  17.25 +/- 0.70   0.001% *  0.1177% (0.32   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG12  ILE   19  21.53 +/- 0.66   0.000% *  0.3603% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   80  17.64 +/- 0.93   0.000% *  0.0844% (0.23   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   73  14.77 +/- 0.96   0.001% *  0.0264% (0.07   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG    LEU   80  18.10 +/- 0.97   0.000% *  0.0844% (0.23   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG12  ILE   19  20.35 +/- 0.25   0.000% *  0.1494% (0.41   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   80  20.45 +/- 0.88   0.000% *  0.1478% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   73  17.60 +/- 0.73   0.000% *  0.0446% (0.12   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG12  ILE   19  21.36 +/- 0.55   0.000% *  0.1364% (0.38   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   73  19.17 +/- 0.28   0.000% *  0.0488% (0.13   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   73  21.13 +/- 0.75   0.000% *  0.0578% (0.16   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG12  ILE   19  25.41 +/- 0.58   0.000% *  0.1769% (0.49   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   80  21.58 +/- 1.02   0.000% *  0.0560% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   80  25.43 +/- 1.08   0.000% *  0.1478% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG    LEU   80  23.42 +/- 0.81   0.000% *  0.0726% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   80  22.93 +/- 1.24   0.000% *  0.0613% (0.17   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   80  25.15 +/- 1.53   0.000% *  0.0332% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 164.7:
    * O T HG13  ILE   19 - HG12  ILE   19   1.75 +/- 0.00  99.387% * 95.9314% (1.00   5.30 164.67) =  99.999%  kept
        T HG    LEU   71 - HG12  ILE   19   5.48 +/- 0.92   0.179% *  0.3246% (0.90   0.02   0.02) =   0.001%
        T HG    LEU   71 - HG    LEU   73   5.53 +/- 0.90   0.160% *  0.1060% (0.29   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   73   4.96 +/- 0.19   0.200% *  0.0263% (0.07   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HG    LEU   73   7.39 +/- 0.52   0.020% *  0.1182% (0.33   0.02   5.03) =   0.000%
          QB    ALA   34 - HG12  ILE   19   7.63 +/- 0.50   0.016% *  0.0806% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG12  ILE   19   9.79 +/- 0.38   0.003% *  0.3341% (0.92   0.02   8.48) =   0.000%
          QG2   THR   39 - HG12  ILE   19   9.87 +/- 0.56   0.003% *  0.3023% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   73   8.47 +/- 0.69   0.009% *  0.1091% (0.30   0.02  43.90) =   0.000%
          QG2   THR   39 - HG    LEU   73   8.32 +/- 0.24   0.009% *  0.0987% (0.27   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HG    LEU   80   9.65 +/- 1.51   0.006% *  0.1370% (0.38   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   80  10.43 +/- 0.71   0.002% *  0.0370% (0.10   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   80  12.83 +/- 0.70   0.001% *  0.1240% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   73  12.85 +/- 0.96   0.001% *  0.1118% (0.31   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HG    LEU   80  13.37 +/- 0.71   0.001% *  0.1485% (0.41   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG12  ILE   19  14.44 +/- 0.28   0.000% *  0.1358% (0.38   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   73  12.11 +/- 0.23   0.001% *  0.0444% (0.12   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG12  ILE   19  17.32 +/- 1.10   0.000% *  0.3424% (0.95   0.02   0.02) =   0.000%
        T HG    LEU   71 - HG    LEU   80  15.84 +/- 1.42   0.000% *  0.1331% (0.37   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG    LEU   80  13.57 +/- 0.96   0.001% *  0.0557% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG12  ILE   19  16.85 +/- 0.48   0.000% *  0.2049% (0.57   0.02   0.02) =   0.000%
          QB    ALA   34 - HG    LEU   80  12.65 +/- 0.72   0.001% *  0.0331% (0.09   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   73  14.30 +/- 0.42   0.000% *  0.0669% (0.18   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG    LEU   73  12.75 +/- 0.72   0.001% *  0.0295% (0.08   0.02   0.02) =   0.000%
          QB    ALA   91 - HG    LEU   73  16.40 +/- 0.58   0.000% *  0.0987% (0.27   0.02   0.02) =   0.000%
          QB    ALA   91 - HG12  ILE   19  19.89 +/- 0.36   0.000% *  0.3023% (0.84   0.02   0.02) =   0.000%
          QG2   THR   39 - HG    LEU   80  17.46 +/- 0.73   0.000% *  0.1240% (0.34   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG12  ILE   19  17.98 +/- 0.49   0.000% *  0.0903% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG    LEU   80  22.24 +/- 1.12   0.000% *  0.1404% (0.39   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG    LEU   80  22.78 +/- 1.16   0.000% *  0.0841% (0.23   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG12  ILE   19  25.70 +/- 0.35   0.000% *  0.0716% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   73  21.56 +/- 0.52   0.000% *  0.0234% (0.06   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG    LEU   80  22.48 +/- 0.83   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 = 4.04, residual support = 164.7:
    * O T QD1   ILE   19 - HG12  ILE   19   2.15 +/- 0.01  93.563% * 96.7196% (1.00   4.04 164.67) =  99.994%  kept
          QG1   VAL   43 - HG    LEU   73   4.05 +/- 0.77   5.317% *  0.0761% (0.16   0.02   8.15) =   0.004%
        T QD1   ILE   19 - HG    LEU   73   6.11 +/- 0.44   0.205% *  0.1564% (0.33   0.02   5.03) =   0.000%
          QG1   VAL   41 - HG    LEU   73   5.08 +/- 0.40   0.608% *  0.0483% (0.10   0.02   0.95) =   0.000%
          QG2   VAL   18 - HG12  ILE   19   7.14 +/- 0.15   0.071% *  0.3478% (0.73   0.02  22.56) =   0.000%
          QG2   THR   46 - HG    LEU   80   8.03 +/- 1.13   0.047% *  0.1641% (0.34   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   73   7.33 +/- 0.51   0.067% *  0.1136% (0.24   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG12  ILE   19   9.31 +/- 0.65   0.016% *  0.2331% (0.49   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG12  ILE   19   9.05 +/- 0.47   0.018% *  0.1478% (0.31   0.02   0.02) =   0.000%
        T QD1   ILE   19 - HG    LEU   80   9.71 +/- 0.51   0.012% *  0.1964% (0.41   0.02   0.02) =   0.000%
          QG2   THR   46 - HG12  ILE   19  11.39 +/- 0.47   0.004% *  0.4000% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   80   9.16 +/- 0.70   0.018% *  0.0956% (0.20   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   73  10.31 +/- 0.43   0.008% *  0.1306% (0.27   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   73   8.25 +/- 0.52   0.032% *  0.0310% (0.06   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   73  12.15 +/- 0.76   0.003% *  0.1509% (0.32   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   80  12.70 +/- 1.00   0.003% *  0.1426% (0.30   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG12  ILE   19  16.65 +/- 0.70   0.000% *  0.4622% (0.97   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG12  ILE   19  13.41 +/- 0.52   0.002% *  0.0948% (0.20   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   80  12.78 +/- 0.83   0.002% *  0.0606% (0.13   0.02   0.02) =   0.000%
        T QD1   LEU   98 - HG    LEU   80  12.50 +/- 0.83   0.003% *  0.0389% (0.08   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   80  18.72 +/- 0.95   0.000% *  0.1896% (0.40   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 164.7:
    * O T HA    ILE   19 - HG13  ILE   19   2.02 +/- 0.06  99.949% * 98.9884% (1.00   5.75 164.67) = 100.000%  kept
        T HA    ILE   19 - HG    LEU   71   8.02 +/- 0.92   0.035% *  0.0493% (0.14   0.02   0.02) =   0.000%
          HA    THR   26 - HG13  ILE   19   9.33 +/- 0.40   0.011% *  0.0858% (0.25   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG13  ILE   19  13.75 +/- 0.30   0.001% *  0.3178% (0.92   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG13  ILE   19  17.79 +/- 0.48   0.000% *  0.3087% (0.90   0.02   0.02) =   0.000%
          HA    THR   26 - HG    LEU   71  11.63 +/- 1.08   0.003% *  0.0123% (0.04   0.02   0.02) =   0.000%
          HA    GLU-  25 - HG    LEU   71  15.16 +/- 1.01   0.001% *  0.0456% (0.13   0.02   0.02) =   0.000%
          HA    SER   82 - HG13  ILE   19  21.50 +/- 0.44   0.000% *  0.1292% (0.38   0.02   0.02) =   0.000%
        T HA    CYS   53 - HG    LEU   71  20.08 +/- 0.84   0.000% *  0.0443% (0.13   0.02   0.02) =   0.000%
          HA    SER   82 - HG    LEU   71  22.46 +/- 1.06   0.000% *  0.0185% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 164.7:
    * O T HB    ILE   19 - HG13  ILE   19   2.69 +/- 0.05  94.200% * 97.5463% (1.00   5.00 164.67) =  99.995%  kept
          HB2   GLN   17 - HG13  ILE   19   6.21 +/- 0.43   0.688% *  0.2209% (0.57   0.02   0.02) =   0.002%
        T HB    ILE   19 - HG    LEU   71   5.60 +/- 1.02   2.271% *  0.0559% (0.14   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG    LEU   71   5.85 +/- 1.61   2.408% *  0.0317% (0.08   0.02   0.02) =   0.001%
          QB    GLU-  15 - HG13  ILE   19   6.97 +/- 0.42   0.335% *  0.2209% (0.57   0.02   0.02) =   0.001%
          HB3   GLU-  25 - HG13  ILE   19  13.62 +/- 0.78   0.006% *  0.2982% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG    LEU   71   9.80 +/- 0.70   0.044% *  0.0317% (0.08   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG13  ILE   19  15.36 +/- 1.10   0.003% *  0.3867% (0.99   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   71  12.23 +/- 0.70   0.012% *  0.0554% (0.14   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE   19  14.36 +/- 2.16   0.006% *  0.0869% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG    LEU   71  11.43 +/- 1.52   0.023% *  0.0125% (0.03   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG13  ILE   19  21.69 +/- 0.64   0.000% *  0.3867% (0.99   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG13  ILE   19  19.53 +/- 0.32   0.001% *  0.1604% (0.41   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG    LEU   71  16.09 +/- 0.87   0.002% *  0.0427% (0.11   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG13  ILE   19  21.22 +/- 0.52   0.000% *  0.1464% (0.38   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   71  20.29 +/- 0.74   0.001% *  0.0554% (0.14   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG13  ILE   19  25.34 +/- 0.56   0.000% *  0.1899% (0.49   0.02   0.02) =   0.000%
          HB2   LEU  115 - HG    LEU   71  20.67 +/- 0.66   0.000% *  0.0210% (0.05   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   71  21.19 +/- 0.56   0.000% *  0.0230% (0.06   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG    LEU   71  24.77 +/- 0.84   0.000% *  0.0272% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 164.7:
    * O T HG12  ILE   19 - HG13  ILE   19   1.75 +/- 0.00  99.595% * 97.0474% (1.00   5.30 164.67) = 100.000%  kept
        T HG12  ILE   19 - HG    LEU   71   5.48 +/- 0.92   0.179% *  0.0525% (0.14   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG13  ILE   19   6.90 +/- 0.24   0.027% *  0.2073% (0.57   0.02   8.48) =   0.000%
        T HG    LEU   73 - HG    LEU   71   5.53 +/- 0.90   0.160% *  0.0179% (0.05   0.02   0.02) =   0.000%
        T HG    LEU   73 - HG13  ILE   19   7.39 +/- 0.52   0.020% *  0.1249% (0.34   0.02   5.03) =   0.000%
          QB    ALA   61 - HG13  ILE   19  10.82 +/- 0.31   0.002% *  0.3176% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG    LEU   71   8.65 +/- 0.93   0.009% *  0.0381% (0.10   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG13  ILE   19  12.25 +/- 1.05   0.001% *  0.2659% (0.73   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG13  ILE   19  13.37 +/- 0.71   0.001% *  0.3589% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG13  ILE   19  15.25 +/- 0.67   0.000% *  0.2798% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG    LEU   71  10.82 +/- 1.03   0.002% *  0.0297% (0.08   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG13  ILE   19  14.90 +/- 0.70   0.000% *  0.1927% (0.53   0.02   0.02) =   0.000%
          QB    LEU   98 - HG    LEU   71  10.49 +/- 0.43   0.002% *  0.0162% (0.04   0.02   0.02) =   0.000%
          QB    LEU   98 - HG13  ILE   19  14.65 +/- 0.41   0.000% *  0.1130% (0.31   0.02   0.02) =   0.000%
          QB    ALA   61 - HG    LEU   71  12.68 +/- 0.50   0.001% *  0.0455% (0.12   0.02   0.02) =   0.000%
          QB    ALA  110 - HG13  ILE   19  18.01 +/- 0.47   0.000% *  0.3629% (0.99   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG    LEU   71  13.80 +/- 0.64   0.000% *  0.0276% (0.08   0.02   0.02) =   0.000%
        T HG    LEU   80 - HG    LEU   71  15.84 +/- 1.42   0.000% *  0.0514% (0.14   0.02   0.02) =   0.000%
          HB2   LEU   80 - HG    LEU   71  16.94 +/- 1.37   0.000% *  0.0401% (0.11   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG13  ILE   19  23.50 +/- 1.02   0.000% *  0.2221% (0.61   0.02   0.02) =   0.000%
          QB    ALA  110 - HG    LEU   71  19.14 +/- 0.75   0.000% *  0.0520% (0.14   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HG    LEU   71  19.42 +/- 1.22   0.000% *  0.0318% (0.09   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG13  ILE   19  23.62 +/- 1.08   0.000% *  0.0913% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HG    LEU   71  18.04 +/- 1.37   0.000% *  0.0131% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 103 (1.25, 1.25, 27.25 ppm):
    2 diagonal assignments:
    *     HG13  ILE   19 - HG13  ILE   19  (1.00)  kept
          HG    LEU   71 - HG    LEU   71  (0.13)  kept
 
    Peak 104 (0.74, 1.25, 27.25 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 3.95, residual support = 164.7:
    * O T QD1   ILE   19 - HG13  ILE   19   2.15 +/- 0.01  99.244% * 97.9340% (1.00   3.95 164.67) =  99.999%  kept
          QG2   VAL   18 - HG13  ILE   19   6.54 +/- 0.20   0.129% *  0.3600% (0.73   0.02  22.56) =   0.000%
        T QD1   ILE   19 - HG    LEU   71   6.38 +/- 0.84   0.204% *  0.0711% (0.14   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG    LEU   71   5.75 +/- 0.47   0.321% *  0.0219% (0.04   0.02   2.75) =   0.000%
          QG2   THR   46 - HG13  ILE   19  10.86 +/- 0.51   0.006% *  0.4141% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG13  ILE   19  10.16 +/- 0.64   0.010% *  0.2413% (0.49   0.02   0.02) =   0.000%
          QG2   VAL   18 - HG    LEU   71   8.37 +/- 0.52   0.031% *  0.0516% (0.10   0.02   0.02) =   0.000%
          QG1   VAL   41 - HG13  ILE   19  10.31 +/- 0.46   0.009% *  0.1530% (0.31   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU   71   8.20 +/- 0.61   0.037% *  0.0346% (0.07   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG13  ILE   19  17.64 +/- 0.68   0.000% *  0.4784% (0.97   0.02   0.02) =   0.000%
          QD2   LEU  104 - HG    LEU   71  13.10 +/- 0.66   0.002% *  0.0686% (0.14   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG13  ILE   19  14.37 +/- 0.53   0.001% *  0.0981% (0.20   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU   71  13.92 +/- 0.86   0.001% *  0.0594% (0.12   0.02   0.02) =   0.000%
          QD1   LEU   98 - HG    LEU   71  11.28 +/- 0.38   0.005% *  0.0141% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 4.69, residual support = 164.7:
    *   T HA    ILE   19 - QD1   ILE   19   2.80 +/- 0.11  98.418% * 98.9679% (1.00   4.69 164.67) =  99.998%  kept
          HA    THR   26 - QD1   ILE   19   5.73 +/- 0.35   1.507% *  0.1053% (0.25   0.02   0.02) =   0.002%
          HA    GLU-  25 - QD1   ILE   19   9.47 +/- 0.28   0.070% *  0.3897% (0.92   0.02   0.02) =   0.000%
          HA    CYS   53 - QD1   ILE   19  15.44 +/- 0.43   0.004% *  0.3786% (0.90   0.02   0.02) =   0.000%
          HA    SER   82 - QD1   ILE   19  16.53 +/- 0.41   0.002% *  0.1585% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 106 (2.00, 0.74, 12.33 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.95, residual support = 164.7:
    * O T HB    ILE   19 - QD1   ILE   19   3.11 +/- 0.03  98.275% * 97.3524% (1.00   3.95 164.67) =  99.995%  kept
          QB    GLU-  15 - QD1   ILE   19   7.02 +/- 0.44   0.816% *  0.2789% (0.57   0.02   0.02) =   0.002%
          HB2   GLN   17 - QD1   ILE   19   7.12 +/- 0.32   0.720% *  0.2789% (0.57   0.02   0.02) =   0.002%
          HB3   GLU-  25 - QD1   ILE   19   9.31 +/- 0.66   0.154% *  0.3765% (0.76   0.02   0.02) =   0.001%
          HG2   PRO   68 - QD1   ILE   19  14.59 +/- 0.75   0.010% *  0.4882% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE   19  13.79 +/- 1.67   0.017% *  0.1097% (0.22   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   ILE   19  18.74 +/- 0.55   0.002% *  0.4882% (0.99   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   ILE   19  17.61 +/- 0.31   0.003% *  0.2025% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD1   ILE   19  18.67 +/- 0.43   0.002% *  0.1849% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   ILE   19  21.86 +/- 0.48   0.001% *  0.2398% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 4.04, residual support = 164.7:
    * O T HG12  ILE   19 - QD1   ILE   19   2.15 +/- 0.01  99.503% * 96.6838% (1.00   4.04 164.67) =  99.999%  kept
          HB3   LYS+  74 - QD1   ILE   19   5.89 +/- 0.23   0.246% *  0.2710% (0.57   0.02   8.48) =   0.001%
        T HG    LEU   73 - QD1   ILE   19   6.11 +/- 0.44   0.215% *  0.1633% (0.34   0.02   5.03) =   0.000%
        T HG    LEU   80 - QD1   ILE   19   9.71 +/- 0.51   0.013% *  0.4693% (0.98   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   ILE   19  10.33 +/- 0.28   0.008% *  0.4153% (0.87   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   19  11.25 +/- 0.49   0.005% *  0.3659% (0.76   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   ILE   19  11.80 +/- 0.79   0.004% *  0.3476% (0.73   0.02   0.02) =   0.000%
        T QB    LEU   98 - QD1   ILE   19  12.13 +/- 0.38   0.003% *  0.1478% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   ILE   19  15.51 +/- 0.42   0.001% *  0.4745% (0.99   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD1   ILE   19  14.08 +/- 0.57   0.001% *  0.2519% (0.53   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   ILE   19  20.59 +/- 0.78   0.000% *  0.2904% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   19  19.66 +/- 0.92   0.000% *  0.1194% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 108 (1.25, 0.74, 12.33 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.95, residual support = 164.7:
    * O T HG13  ILE   19 - QD1   ILE   19   2.15 +/- 0.01  99.669% * 97.0297% (1.00   3.95 164.67) =  99.999%  kept
        T HG    LEU   71 - QD1   ILE   19   6.38 +/- 0.84   0.205% *  0.4405% (0.90   0.02   0.02) =   0.001%
          HG2   LYS+  74 - QD1   ILE   19   7.89 +/- 0.28   0.042% *  0.4534% (0.92   0.02   8.48) =   0.000%
          QB    ALA   34 - QD1   ILE   19   7.36 +/- 0.36   0.066% *  0.1093% (0.22   0.02   0.02) =   0.000%
          QG2   THR   39 - QD1   ILE   19   9.81 +/- 0.47   0.012% *  0.4102% (0.84   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD1   ILE   19  12.32 +/- 0.27   0.003% *  0.1843% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QD1   ILE   19  16.04 +/- 0.91   0.001% *  0.4646% (0.95   0.02   0.02) =   0.000%
          QB    ALA   91 - QD1   ILE   19  16.32 +/- 0.29   0.001% *  0.4102% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   19  15.33 +/- 0.43   0.001% *  0.2781% (0.57   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   ILE   19  14.91 +/- 0.40   0.001% *  0.1225% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   19  21.88 +/- 0.32   0.000% *  0.0972% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.22 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  15.22) = 100.000%  kept
          HB3   LEU   31 - HA    ALA   20  14.13 +/- 0.36   0.001% *  0.5457% (0.65   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    ALA   20  14.84 +/- 0.21   0.001% *  0.4776% (0.57   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    ALA   20  17.27 +/- 0.58   0.000% *  0.5794% (0.69   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    ALA   20  18.35 +/- 0.33   0.000% *  0.1477% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ALA   20  24.52 +/- 0.61   0.000% *  0.6754% (0.80   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ALA   20  20.99 +/- 0.99   0.000% *  0.1142% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.36 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  99.994% * 99.5063% (1.00   2.31  15.22) = 100.000%  kept
          HA    LEU   71 - QB    ALA   20  10.63 +/- 0.38   0.006% *  0.3232% (0.38   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    ALA   20  20.52 +/- 0.31   0.000% *  0.1704% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 2.68, residual support = 28.2:
    * O T HB2   CYS   21 - HA    CYS   21   3.02 +/- 0.02  99.980% * 99.3030% (1.00   2.68  28.20) = 100.000%  kept
          HB2   PHE   45 - HA    CYS   21  12.55 +/- 0.22   0.019% *  0.2779% (0.38   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HA    CYS   21  23.61 +/- 0.54   0.000% *  0.4191% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 2.39, residual support = 28.2:
    * O T HB3   CYS   21 - HA    CYS   21   2.36 +/- 0.05  99.999% * 99.4566% (0.69   2.39  28.20) = 100.000%  kept
          HG2   MET   96 - HA    CYS   21  15.25 +/- 0.31   0.001% *  0.5434% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 2.32, residual support = 28.2:
    * O T HB3   CYS   21 - HB2   CYS   21   1.75 +/- 0.00  99.999% * 99.4412% (0.69   2.32  28.20) = 100.000%  kept
          HG2   MET   96 - HB2   CYS   21  12.76 +/- 0.33   0.001% *  0.5588% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.59 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 = 2.32, residual support = 28.2:
    * O T HB2   CYS   21 - HB3   CYS   21   1.75 +/- 0.00  99.998% * 99.1960% (0.69   2.32  28.20) = 100.000%  kept
          HB2   PHE   45 - HB3   CYS   21  11.17 +/- 0.30   0.002% *  0.3205% (0.26   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   CYS   21  22.81 +/- 0.54   0.000% *  0.4835% (0.39   0.02   0.02) =   0.000%
    Distance limit 2.60 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 = 33.0:
    * O T HB2   HIS   22 - HA    HIS   22   2.52 +/- 0.17 100.000% * 98.5614% (0.76   2.29  33.00) = 100.000%  kept
          HA    LEU   63 - HA    HIS   22  21.18 +/- 0.42   0.000% *  1.0721% (0.94   0.02   0.02) =   0.000%
          HA2   GLY  101 - HA    HIS   22  24.05 +/- 1.53   0.000% *  0.3665% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 33.0:
    * O T HB3   HIS   22 - HA    HIS   22   2.97 +/- 0.18  99.999% * 99.5171% (0.95   3.44  33.00) = 100.000%  kept
          HD3   ARG+  54 - HA    HIS   22  20.35 +/- 1.32   0.001% *  0.4829% (0.79   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 33.0:
    * O T HA    HIS   22 - HB2   HIS   22   2.52 +/- 0.17  99.997% * 98.2439% (0.76   2.29  33.00) = 100.000%  kept
          HA    VAL   43 - HB2   HIS   22  14.46 +/- 0.30   0.003% *  0.8576% (0.76   0.02   0.02) =   0.000%
          HA    ASN   69 - HB2   HIS   22  23.94 +/- 0.65   0.000% *  0.8986% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 33.0:
    * O T HB3   HIS   22 - HB2   HIS   22   1.75 +/- 0.00 100.000% * 99.6098% (0.80   4.26  33.00) = 100.000%  kept
          HD3   ARG+  54 - HB2   HIS   22  21.69 +/- 1.53   0.000% *  0.3902% (0.67   0.02   0.02) =   0.000%
    Distance limit 2.72 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 = 33.0:
    * O T HA    HIS   22 - HB3   HIS   22   2.97 +/- 0.18  99.990% * 98.8245% (0.95   3.44  33.00) = 100.000%  kept
          HA    VAL   43 - HB3   HIS   22  14.13 +/- 0.27   0.009% *  0.5741% (0.95   0.02   0.02) =   0.000%
          HA    ASN   69 - HB3   HIS   22  23.04 +/- 0.54   0.000% *  0.6015% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 33.0:
    * O T HB2   HIS   22 - HB3   HIS   22   1.75 +/- 0.00 100.000% * 99.2220% (0.80   4.26  33.00) = 100.000%  kept
          HA    LEU   63 - HB3   HIS   22  22.72 +/- 0.43   0.000% *  0.5798% (1.00   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB3   HIS   22  25.19 +/- 1.59   0.000% *  0.1982% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 131 (3.24, 3.24, 29.58 ppm):
    1 diagonal assignment:
    *     HB3   HIS   22 - HB3   HIS   22  (1.00)  kept
 
    Peak 132 (4.83, 4.83, 58.62 ppm):
    1 diagonal assignment:
    *     HA    THR   23 - HA    THR   23  (0.64)  kept
 
    Peak 133 (1.28, 4.83, 58.62 ppm):
    7 chemical-shift based assignments, quality = 0.801, support = 3.25, residual support = 19.3:
    * O T QG2   THR   23 - HA    THR   23   2.13 +/- 0.05  99.988% * 98.3922% (0.80   3.25  19.32) = 100.000%  kept
          QG2   THR   77 - HA    THR   23  10.08 +/- 0.39   0.009% *  0.1684% (0.22   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    THR   23  13.65 +/- 0.16   0.001% *  0.5060% (0.67   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   23  15.81 +/- 0.35   0.001% *  0.3919% (0.52   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   23  15.42 +/- 0.60   0.001% *  0.1349% (0.18   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    THR   23  18.57 +/- 0.34   0.000% *  0.1349% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    THR   23  23.87 +/- 0.46   0.000% *  0.2716% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 0.671, support = 3.25, residual support = 19.3:
    * O T HA    THR   23 - QG2   THR   23   2.13 +/- 0.05  51.089% * 73.2997% (0.80   3.25  19.32) =  75.116%  kept
      O   HB    THR   23 - QG2   THR   23   2.15 +/- 0.01  48.742% * 25.4516% (0.28   3.25  19.32) =  24.884%  kept
          HA    LEU   80 - QG2   THR   23   5.71 +/- 0.29   0.145% *  0.2317% (0.41   0.02  10.99) =   0.001%
          HA    ASP-  78 - QG2   THR   23   9.64 +/- 0.29   0.006% *  0.5587% (0.99   0.02   0.02) =   0.000%
          HA    ASP-  78 - QB    ALA   91   8.69 +/- 1.19   0.016% *  0.0587% (0.10   0.02   0.02) =   0.000%
          HA    LEU   80 - QB    ALA   91  12.33 +/- 0.77   0.001% *  0.0244% (0.04   0.02   0.02) =   0.000%
        T HA    THR   23 - QB    ALA   91  15.42 +/- 0.60   0.000% *  0.0474% (0.08   0.02   0.02) =   0.000%
        T HA    THR   23 - QG2   THR   39  18.57 +/- 0.34   0.000% *  0.1005% (0.18   0.02   0.02) =   0.000%
          HA    LEU   80 - QG2   THR   39  19.80 +/- 0.72   0.000% *  0.0516% (0.09   0.02   0.02) =   0.000%
          HA    ASP-  78 - QG2   THR   39  22.94 +/- 0.18   0.000% *  0.1244% (0.22   0.02   0.02) =   0.000%
          HB    THR   23 - QG2   THR   39  18.82 +/- 0.38   0.000% *  0.0349% (0.06   0.02   0.02) =   0.000%
          HB    THR   23 - QB    ALA   91  17.56 +/- 0.60   0.000% *  0.0165% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 3.39, residual support = 65.6:
    * O T QG1   VAL   24 - HA    VAL   24   2.61 +/- 0.48  99.912% * 98.4456% (1.00   3.39  65.56) = 100.000%  kept
          HB3   LEU   31 - HA    VAL   24   9.25 +/- 0.25   0.087% *  0.2605% (0.45   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    VAL   24  18.36 +/- 0.31   0.001% *  0.4854% (0.84   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL   24  23.19 +/- 0.60   0.000% *  0.2389% (0.41   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    VAL   24  27.55 +/- 1.02   0.000% *  0.5696% (0.98   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.09 A, kept.
 
    Peak 138 (3.77, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.39, residual support = 65.6:
    * O T HA    VAL   24 - QG1   VAL   24   2.61 +/- 0.48  99.997% * 99.2705% (1.00   3.39  65.56) = 100.000%  kept
          HA    LYS+  38 - QG1   VAL   24  17.07 +/- 0.47   0.002% *  0.3791% (0.65   0.02   0.02) =   0.000%
          HA    ALA   61 - QG1   VAL   24  18.49 +/- 0.65   0.001% *  0.1305% (0.22   0.02   0.02) =   0.000%
          HD2   PRO   68 - QG1   VAL   24  22.08 +/- 0.85   0.000% *  0.2199% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 5.14, residual support = 126.9:
    * O T HB2   GLU-  25 - HA    GLU-  25   2.97 +/- 0.03  99.975% * 98.3522% (1.00   5.14 126.95) = 100.000%  kept
          QG    GLN   17 - HA    GLU-  25  17.20 +/- 1.62   0.003% *  0.3750% (0.98   0.02   0.02) =   0.000%
        T HB2   GLU-  25 - HA    SER   82  14.22 +/- 0.71   0.009% *  0.1239% (0.32   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    GLU-  25  16.58 +/- 0.35   0.003% *  0.2166% (0.57   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   82  14.94 +/- 0.27   0.006% *  0.0702% (0.18   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU-  25  21.29 +/- 0.40   0.001% *  0.3619% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  25  20.80 +/- 0.31   0.001% *  0.1305% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    SER   82  23.17 +/- 1.05   0.000% *  0.1215% (0.32   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  25  21.65 +/- 1.43   0.001% *  0.0670% (0.18   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    SER   82  25.26 +/- 0.46   0.000% *  0.1172% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   82  26.93 +/- 0.90   0.000% *  0.0423% (0.11   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   82  25.48 +/- 1.07   0.000% *  0.0217% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 126.9:
    * O T HB3   GLU-  25 - HA    GLU-  25   2.76 +/- 0.05  99.881% * 96.8331% (1.00   5.00 126.95) = 100.000%  kept
          HG3   GLN   30 - HA    GLU-  25   8.92 +/- 0.65   0.099% *  0.0966% (0.25   0.02   0.02) =   0.000%
        T HB    ILE   19 - HA    GLU-  25  13.32 +/- 0.24   0.008% *  0.2960% (0.76   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - HA    SER   82  14.27 +/- 0.96   0.006% *  0.1255% (0.32   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU-  25  17.17 +/- 1.06   0.002% *  0.3664% (0.95   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU-  25  19.70 +/- 0.37   0.001% *  0.3664% (0.95   0.02   0.02) =   0.000%
        T HB    ILE   19 - HA    SER   82  19.88 +/- 0.40   0.001% *  0.0959% (0.25   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    SER   82  21.42 +/- 0.71   0.000% *  0.1048% (0.27   0.02   0.02) =   0.000%
          QB    GLU- 114 - HA    GLU-  25  26.03 +/- 0.66   0.000% *  0.3235% (0.84   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    SER   82  18.28 +/- 0.92   0.001% *  0.0313% (0.08   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU-  25  26.15 +/- 1.44   0.000% *  0.2349% (0.61   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU-  25  26.83 +/- 0.59   0.000% *  0.2661% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    SER   82  24.54 +/- 0.82   0.000% *  0.1125% (0.29   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    SER   82  24.78 +/- 0.95   0.000% *  0.1187% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU-  25  30.40 +/- 0.73   0.000% *  0.3474% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    SER   82  25.59 +/- 0.47   0.000% *  0.1187% (0.31   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    SER   82  31.63 +/- 0.94   0.000% *  0.0862% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    SER   82  31.67 +/- 0.75   0.000% *  0.0761% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 126.9:
    * O T HG2   GLU-  25 - HA    GLU-  25   2.05 +/- 0.14  99.975% * 98.9747% (1.00   4.31 126.95) = 100.000%  kept
          HB3   TRP   87 - HA    SER   82   8.40 +/- 0.12   0.022% *  0.0667% (0.15   0.02   0.02) =   0.000%
          HB3   TRP   87 - HA    GLU-  25  14.46 +/- 0.49   0.001% *  0.2058% (0.45   0.02   0.02) =   0.000%
        T HG2   GLU-  25 - HA    SER   82  14.35 +/- 0.74   0.001% *  0.1487% (0.32   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    GLU-  25  21.48 +/- 0.31   0.000% *  0.1565% (0.34   0.02   0.02) =   0.000%
          HB3   PHE   95 - HA    SER   82  19.39 +/- 0.34   0.000% *  0.0507% (0.11   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    GLU-  25  33.49 +/- 0.40   0.000% *  0.1722% (0.38   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    GLU-  25  32.04 +/- 0.46   0.000% *  0.1276% (0.28   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    SER   82  30.46 +/- 0.64   0.000% *  0.0558% (0.12   0.02   0.02) =   0.000%
          HG2   GLN  116 - HA    SER   82  29.45 +/- 0.57   0.000% *  0.0413% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 126.9:
    * O T HG3   GLU-  25 - HA    GLU-  25   3.30 +/- 0.06  99.799% * 97.5759% (1.00   3.73 126.95) = 100.000%  kept
          HB2   GLU-  79 - HA    GLU-  25  11.91 +/- 0.51   0.048% *  0.3175% (0.61   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    SER   82  10.23 +/- 0.54   0.121% *  0.1028% (0.20   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU-  25  16.09 +/- 1.01   0.008% *  0.2347% (0.45   0.02   0.02) =   0.000%
        T HG3   GLU-  25 - HA    SER   82  15.13 +/- 0.60   0.011% *  0.1696% (0.32   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    SER   82  17.58 +/- 1.64   0.006% *  0.0760% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    SER   82  19.03 +/- 0.61   0.003% *  0.1604% (0.31   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  25  25.17 +/- 0.58   0.001% *  0.4951% (0.95   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  25  24.99 +/- 1.44   0.001% *  0.2347% (0.45   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    SER   82  21.16 +/- 0.57   0.001% *  0.0892% (0.17   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  25  25.87 +/- 0.65   0.000% *  0.2754% (0.53   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    SER   82  25.56 +/- 0.96   0.000% *  0.0760% (0.15   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    GLU-  25  28.75 +/- 0.36   0.000% *  0.1455% (0.28   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    SER   82  28.50 +/- 0.36   0.000% *  0.0471% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 1 structures by 0.09 A, kept.
 
    Peak 145 (4.18, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.14, residual support = 126.9:
    * O T HA    GLU-  25 - HB2   GLU-  25   2.97 +/- 0.03  99.980% * 99.1452% (1.00   5.14 126.95) = 100.000%  kept
          HA    ILE   19 - HB2   GLU-  25  13.59 +/- 0.57   0.011% *  0.3560% (0.92   0.02   0.02) =   0.000%
        T HA    SER   82 - HB2   GLU-  25  14.22 +/- 0.71   0.009% *  0.2339% (0.61   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   GLU-  25  23.74 +/- 0.47   0.000% *  0.2649% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 5.14, residual support = 126.9:
    * O T HB3   GLU-  25 - HB2   GLU-  25   1.75 +/- 0.00  99.994% * 97.7450% (1.00   5.14 126.95) = 100.000%  kept
          HG3   GLN   30 - HB2   GLU-  25   9.26 +/- 0.72   0.005% *  0.0948% (0.25   0.02   0.02) =   0.000%
          HB    ILE   19 - HB2   GLU-  25  13.25 +/- 0.51   0.001% *  0.2906% (0.76   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HB2   GLU-  25  17.17 +/- 1.09   0.000% *  0.3597% (0.95   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HB2   GLU-  25  19.06 +/- 0.66   0.000% *  0.3597% (0.95   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB2   GLU-  25  26.85 +/- 0.59   0.000% *  0.3176% (0.84   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB2   GLU-  25  26.56 +/- 1.62   0.000% *  0.2306% (0.61   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB2   GLU-  25  27.34 +/- 0.82   0.000% *  0.2612% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU-  25  31.02 +/- 0.58   0.000% *  0.3410% (0.90   0.02   0.02) =   0.000%
    Distance limit 2.45 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 = 4.45, residual support = 126.9:
    * O T HG2   GLU-  25 - HB2   GLU-  25   2.93 +/- 0.12  99.995% * 99.3561% (1.00   4.45 126.95) = 100.000%  kept
          HB3   TRP   87 - HB2   GLU-  25  15.86 +/- 0.35   0.004% *  0.2001% (0.45   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB2   GLU-  25  22.37 +/- 0.28   0.001% *  0.1522% (0.34   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   GLU-  25  33.90 +/- 0.51   0.000% *  0.1675% (0.38   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB2   GLU-  25  32.46 +/- 0.57   0.000% *  0.1241% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 3.88, residual support = 126.9:
    * O T HG3   GLU-  25 - HB2   GLU-  25   2.78 +/- 0.06  99.971% * 98.3500% (1.00   3.88 126.95) = 100.000%  kept
          HB2   GLU-  79 - HB2   GLU-  25  11.06 +/- 0.68   0.027% *  0.3076% (0.61   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   GLU-  25  17.87 +/- 0.96   0.002% *  0.2274% (0.45   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB2   GLU-  25  24.88 +/- 0.62   0.000% *  0.4798% (0.95   0.02   0.02) =   0.000%
          HG2   MET   92 - HB2   GLU-  25  25.05 +/- 1.73   0.000% *  0.2274% (0.45   0.02   0.02) =   0.000%
          QG    GLU- 114 - HB2   GLU-  25  26.59 +/- 0.75   0.000% *  0.2668% (0.53   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   GLU-  25  28.40 +/- 0.46   0.000% *  0.1410% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 126.9:
    * O T HA    GLU-  25 - HB3   GLU-  25   2.76 +/- 0.05  99.988% * 99.1212% (1.00   5.00 126.95) = 100.000%  kept
        T HA    ILE   19 - HB3   GLU-  25  14.03 +/- 0.67   0.006% *  0.3660% (0.92   0.02   0.02) =   0.000%
        T HA    SER   82 - HB3   GLU-  25  14.27 +/- 0.96   0.006% *  0.2405% (0.61   0.02   0.02) =   0.000%
          HA    CYS   53 - HB3   GLU-  25  24.23 +/- 0.40   0.000% *  0.2723% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 5.14, residual support = 126.9:
    * O T HB2   GLU-  25 - HB3   GLU-  25   1.75 +/- 0.00 100.000% * 98.8433% (1.00   5.14 126.95) = 100.000%  kept
        T QG    GLN   17 - HB3   GLU-  25  17.06 +/- 1.73   0.000% *  0.3769% (0.98   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLU-  25  18.20 +/- 0.31   0.000% *  0.2177% (0.57   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB3   GLU-  25  22.44 +/- 0.65   0.000% *  0.3637% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB3   GLU-  25  22.73 +/- 0.61   0.000% *  0.1311% (0.34   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLU-  25  23.72 +/- 1.48   0.000% *  0.0673% (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 = 126.9:
    * O T HG2   GLU-  25 - HB3   GLU-  25   2.81 +/- 0.06  99.997% * 99.3545% (1.00   4.44 126.95) = 100.000%  kept
          HB3   TRP   87 - HB3   GLU-  25  16.03 +/- 0.70   0.003% *  0.2006% (0.45   0.02   0.02) =   0.000%
          HB3   PHE   95 - HB3   GLU-  25  22.68 +/- 0.27   0.000% *  0.1526% (0.34   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   GLU-  25  34.31 +/- 0.49   0.000% *  0.1679% (0.38   0.02   0.02) =   0.000%
          HG2   GLN  116 - HB3   GLU-  25  32.85 +/- 0.54   0.000% *  0.1244% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 126.9:
    * O T HG3   GLU-  25 - HB3   GLU-  25   2.28 +/- 0.03  99.993% * 98.3451% (1.00   3.87 126.95) = 100.000%  kept
          HB2   GLU-  79 - HB3   GLU-  25  11.52 +/- 0.55   0.006% *  0.3085% (0.61   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   GLU-  25  17.69 +/- 1.16   0.001% *  0.2281% (0.45   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   GLU-  25  25.36 +/- 0.62   0.000% *  0.4812% (0.95   0.02   0.02) =   0.000%
          HG2   MET   92 - HB3   GLU-  25  25.46 +/- 1.45   0.000% *  0.2281% (0.45   0.02   0.02) =   0.000%
        T QG    GLU- 114 - HB3   GLU-  25  26.88 +/- 0.63   0.000% *  0.2676% (0.53   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU-  25  28.88 +/- 0.47   0.000% *  0.1414% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 155 (4.18, 2.52, 37.82 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 126.9:
    * O T HA    GLU-  25 - HG2   GLU-  25   2.05 +/- 0.14  99.998% * 98.9827% (1.00   4.31 126.95) = 100.000%  kept
        T HA    SER   82 - HG2   GLU-  25  14.35 +/- 0.74   0.001% *  0.2784% (0.61   0.02   0.02) =   0.000%
          HA    ILE   19 - HG2   GLU-  25  15.58 +/- 0.42   0.001% *  0.4237% (0.92   0.02   0.02) =   0.000%
          HA    CYS   53 - HG2   GLU-  25  25.78 +/- 0.42   0.000% *  0.3153% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 4.45, residual support = 126.9:
    * O T HB2   GLU-  25 - HG2   GLU-  25   2.93 +/- 0.12  99.995% * 98.6666% (1.00   4.45 126.95) = 100.000%  kept
          QG    GLN   17 - HG2   GLU-  25  18.32 +/- 1.69   0.002% *  0.4344% (0.98   0.02   0.02) =   0.000%
          HB2   MET   96 - HG2   GLU-  25  18.55 +/- 0.37   0.002% *  0.2509% (0.57   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   GLU-  25  22.97 +/- 0.51   0.000% *  0.4192% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  25  21.99 +/- 0.55   0.001% *  0.1512% (0.34   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  25  23.11 +/- 1.50   0.000% *  0.0776% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 126.9:
    * O T HB3   GLU-  25 - HG2   GLU-  25   2.81 +/- 0.06  99.946% * 97.3988% (1.00   4.44 126.95) = 100.000%  kept
          HG3   GLN   30 - HG2   GLU-  25  10.26 +/- 0.70   0.047% *  0.1094% (0.25   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   GLU-  25  14.83 +/- 0.39   0.005% *  0.3352% (0.76   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   GLU-  25  18.13 +/- 1.13   0.001% *  0.4149% (0.95   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLU-  25  21.02 +/- 0.54   0.001% *  0.4149% (0.95   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   GLU-  25  27.78 +/- 0.64   0.000% *  0.3663% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLU-  25  27.61 +/- 1.45   0.000% *  0.2660% (0.61   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   GLU-  25  28.36 +/- 0.79   0.000% *  0.3013% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU-  25  32.33 +/- 0.72   0.000% *  0.3933% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 126.9:
    * O T HG3   GLU-  25 - HG2   GLU-  25   1.75 +/- 0.00  99.999% * 98.0735% (1.00   3.31 126.95) = 100.000%  kept
          HB2   GLU-  79 - HG2   GLU-  25  13.16 +/- 0.66   0.001% *  0.3592% (0.61   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   GLU-  25  16.72 +/- 1.30   0.000% *  0.2655% (0.45   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  25  26.82 +/- 0.58   0.000% *  0.5602% (0.95   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  25  26.70 +/- 1.58   0.000% *  0.2655% (0.45   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  25  27.61 +/- 0.68   0.000% *  0.3115% (0.53   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU-  25  30.45 +/- 0.38   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 = 126.9:
    * O T HA    GLU-  25 - HG3   GLU-  25   3.30 +/- 0.06  99.980% * 98.8249% (1.00   3.73 126.95) = 100.000%  kept
        T HA    ILE   19 - HG3   GLU-  25  15.88 +/- 0.46   0.008% *  0.4894% (0.92   0.02   0.02) =   0.000%
        T HA    SER   82 - HG3   GLU-  25  15.13 +/- 0.60   0.011% *  0.3215% (0.61   0.02   0.02) =   0.000%
          HA    CYS   53 - HG3   GLU-  25  26.28 +/- 0.41   0.000% *  0.3641% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.02 A, kept.
 
    Peak 161 (2.20, 2.33, 37.82 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.88, residual support = 126.9:
    * O T HB2   GLU-  25 - HG3   GLU-  25   2.78 +/- 0.06  99.997% * 98.4723% (1.00   3.88 126.95) = 100.000%  kept
          QG    GLN   17 - HG3   GLU-  25  18.58 +/- 1.69   0.001% *  0.4977% (0.98   0.02   0.02) =   0.000%
          HB2   MET   96 - HG3   GLU-  25  19.77 +/- 0.33   0.001% *  0.2875% (0.57   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   GLU-  25  23.97 +/- 0.44   0.000% *  0.4804% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG3   GLU-  25  23.31 +/- 0.41   0.000% *  0.1732% (0.34   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  25  24.52 +/- 1.45   0.000% *  0.0889% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.20 A, kept.
 
    Peak 162 (2.01, 2.33, 37.82 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 126.9:
    * O T HB3   GLU-  25 - HG3   GLU-  25   2.28 +/- 0.03  99.989% * 97.0235% (1.00   3.87 126.95) = 100.000%  kept
          HG3   GLN   30 - HG3   GLU-  25  10.93 +/- 0.61   0.009% *  0.1251% (0.25   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   GLU-  25  15.39 +/- 0.37   0.001% *  0.3835% (0.76   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   GLU-  25  18.55 +/- 1.03   0.000% *  0.4747% (0.95   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   GLU-  25  21.31 +/- 0.56   0.000% *  0.4747% (0.95   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HG3   GLU-  25  28.72 +/- 0.64   0.000% *  0.4192% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   GLU-  25  28.33 +/- 1.70   0.000% *  0.3044% (0.61   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   GLU-  25  29.14 +/- 0.61   0.000% *  0.3447% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   GLU-  25  33.25 +/- 0.65   0.000% *  0.4501% (0.90   0.02   0.02) =   0.000%
    Distance limit 2.70 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 = 126.9:
    * O T HG2   GLU-  25 - HG3   GLU-  25   1.75 +/- 0.00 100.000% * 99.1364% (1.00   3.31 126.95) = 100.000%  kept
          HB3   TRP   87 - HG3   GLU-  25  17.43 +/- 0.53   0.000% *  0.2684% (0.45   0.02   0.02) =   0.000%
          HB3   PHE   95 - HG3   GLU-  25  24.48 +/- 0.28   0.000% *  0.2042% (0.34   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG3   GLU-  25  36.26 +/- 0.45   0.000% *  0.2246% (0.38   0.02   0.02) =   0.000%
          HG2   GLN  116 - HG3   GLU-  25  34.80 +/- 0.51   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 = 28.3:
    * O T HB    THR   26 - HA    THR   26   2.93 +/- 0.03 100.000% * 36.7127% (1.00   0.02  28.35) = 100.000%  kept
          HA    ASP-  62 - HA    THR   26  23.26 +/- 0.29   0.000% * 33.8901% (0.92   0.02   0.02) =   0.000%
          HA    SER  117 - HA    THR   26  30.86 +/- 0.27   0.000% * 29.3972% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 20 structures by 0.53 A, eliminated.
    Peak unassigned.
 
    Peak 167 (1.50, 4.15, 66.74 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.99, residual support = 28.3:
    * O T QG2   THR   26 - HA    THR   26   2.86 +/- 0.07  99.980% * 97.1131% (1.00   2.99  28.35) = 100.000%  kept
          HB2   LYS+  74 - HA    THR   26  12.26 +/- 0.32   0.016% *  0.5825% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR   26  20.59 +/- 0.78   0.001% *  0.6438% (0.99   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    THR   26  18.93 +/- 0.75   0.001% *  0.1806% (0.28   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    THR   26  23.33 +/- 0.47   0.000% *  0.4202% (0.65   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR   26  21.52 +/- 0.67   0.001% *  0.1285% (0.20   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    THR   26  28.54 +/- 1.24   0.000% *  0.6269% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HA    THR   26  27.05 +/- 0.59   0.000% *  0.1285% (0.20   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    THR   26  25.81 +/- 0.27   0.000% *  0.0879% (0.14   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    THR   26  27.10 +/- 1.15   0.000% *  0.0879% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 168 (4.15, 4.23, 69.37 ppm):
    8 chemical-shift based assignments, quality = 0.999, support = 0.02, residual support = 28.3:
    * O T HA    THR   26 - HB    THR   26   2.93 +/- 0.03  99.673% * 22.7542% (1.00   0.02  28.35) =  99.902%  kept
          HA    ASN   28 - HB    THR   26   8.05 +/- 0.09   0.232% *  7.0230% (0.31   0.02   0.11) =   0.072%
          HA    ILE   19 - HB    THR   26   9.54 +/- 0.48   0.087% *  5.6738% (0.25   0.02   0.02) =   0.022%
          HA    ALA   34 - HB    THR   26  14.80 +/- 0.39   0.006% * 11.0757% (0.49   0.02   0.02) =   0.003%
          HA1   GLY  101 - HB    THR   26  20.32 +/- 2.10   0.001% * 15.6300% (0.69   0.02   0.02) =   0.001%
          HA    CYS   53 - HB    THR   26  20.44 +/- 0.45   0.001% * 11.0757% (0.49   0.02   0.02) =   0.000%
          HA    LEU  115 - HB    THR   26  24.94 +/- 0.37   0.000% *  7.7616% (0.34   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB    THR   26  28.99 +/- 0.44   0.000% * 19.0059% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 20 structures by 0.44 A, eliminated.
    Peak unassigned.
 
    Peak 169 (4.23, 4.23, 69.37 ppm):
    1 diagonal assignment:
    *     HB    THR   26 - HB    THR   26  (1.00)  kept
 
    Peak 170 (1.50, 4.23, 69.37 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 28.3:
    * O T QG2   THR   26 - HB    THR   26   2.17 +/- 0.01  99.993% * 97.0818% (1.00   2.96  28.35) = 100.000%  kept
          HB2   LYS+  74 - HB    THR   26  10.85 +/- 0.53   0.007% *  0.5889% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB    THR   26  20.17 +/- 0.84   0.000% *  0.6508% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB    THR   26  20.05 +/- 0.83   0.000% *  0.1826% (0.28   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB    THR   26  23.30 +/- 0.57   0.000% *  0.4248% (0.65   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB    THR   26  28.79 +/- 1.25   0.000% *  0.6337% (0.97   0.02   0.02) =   0.000%
          HG    LEU  104 - HB    THR   26  22.42 +/- 0.70   0.000% *  0.1299% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB    THR   26  27.20 +/- 0.57   0.000% *  0.1299% (0.20   0.02   0.02) =   0.000%
        T QB    ALA  120 - HB    THR   26  25.71 +/- 0.34   0.000% *  0.0889% (0.14   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    THR   26  26.19 +/- 1.19   0.000% *  0.0889% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 2.99, residual support = 28.3:
    * O T HA    THR   26 - QG2   THR   26   2.86 +/- 0.07  97.956% * 97.7798% (1.00   2.99  28.35) =  99.996%  kept
          HA    ILE   19 - QG2   THR   26   6.07 +/- 0.34   1.167% *  0.1631% (0.25   0.02   0.02) =   0.002%
          HA    ASN   28 - QG2   THR   26   6.35 +/- 0.10   0.832% *  0.2019% (0.31   0.02   0.11) =   0.002%
          HA    ALA   34 - QG2   THR   26  10.78 +/- 0.40   0.036% *  0.3183% (0.49   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   THR   26  15.83 +/- 1.73   0.004% *  0.4492% (0.69   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   THR   26  15.81 +/- 0.40   0.004% *  0.3183% (0.49   0.02   0.02) =   0.000%
        T HA    LEU  115 - QG2   THR   26  19.17 +/- 0.42   0.001% *  0.2231% (0.34   0.02   0.02) =   0.000%
        T HA    GLU- 114 - QG2   THR   26  22.64 +/- 0.46   0.000% *  0.5463% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.02 A, kept.
 
    Peak 172 (4.23, 1.50, 23.02 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 28.3:
    * O T HB    THR   26 - QG2   THR   26   2.17 +/- 0.01 100.000% * 98.8475% (1.00   2.96  28.35) = 100.000%  kept
          HA    ASP-  62 - QG2   THR   26  17.01 +/- 0.33   0.000% *  0.6171% (0.92   0.02   0.02) =   0.000%
        T HA    SER  117 - QG2   THR   26  23.72 +/- 0.44   0.000% *  0.5353% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.78 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 = 96.2:
    * O T HB2   TRP   27 - HA    TRP   27   2.97 +/- 0.04  99.975% * 99.3516% (1.00   4.44  96.23) = 100.000%  kept
          HA    THR   77 - HA    TRP   27  11.97 +/- 0.29   0.024% *  0.2007% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   93 - HA    TRP   27  19.55 +/- 0.34   0.001% *  0.4477% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 96.2:
    * O T HB3   TRP   27 - HA    TRP   27   2.29 +/- 0.04  99.995% * 98.7362% (1.00   4.44  96.23) = 100.000%  kept
          HB2   PHE   97 - HA    TRP   27  16.24 +/- 0.38   0.001% *  0.4436% (1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    TRP   27  14.74 +/- 0.33   0.001% *  0.2164% (0.49   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    TRP   27  15.54 +/- 0.66   0.001% *  0.1993% (0.45   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    TRP   27  17.78 +/- 1.32   0.001% *  0.3054% (0.69   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    TRP   27  16.65 +/- 0.67   0.001% *  0.0990% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 177 (4.49, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 96.2:
    * O T HA    TRP   27 - HB2   TRP   27   2.97 +/- 0.04  99.996% * 98.9963% (1.00   4.44  96.23) = 100.000%  kept
          HA    ALA   91 - HB2   TRP   27  17.54 +/- 0.83   0.002% *  0.4118% (0.92   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   TRP   27  20.54 +/- 0.32   0.001% *  0.3572% (0.80   0.02   0.02) =   0.000%
          HA    PRO   52 - HB2   TRP   27  22.85 +/- 0.44   0.000% *  0.2347% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 96.2:
    * O T HB3   TRP   27 - HB2   TRP   27   1.75 +/- 0.00  99.999% * 98.8702% (1.00   4.97  96.23) = 100.000%  kept
          HB2   PHE   97 - HB2   TRP   27  17.30 +/- 0.37   0.000% *  0.3966% (1.00   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB2   TRP   27  16.31 +/- 0.44   0.000% *  0.1935% (0.49   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   TRP   27  17.85 +/- 1.40   0.000% *  0.2730% (0.69   0.02   0.02) =   0.000%
          QE    LYS+  99 - HB2   TRP   27  17.31 +/- 0.57   0.000% *  0.1782% (0.45   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB2   TRP   27  17.97 +/- 0.78   0.000% *  0.0885% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.72 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 = 96.2:
    * O T HA    TRP   27 - HB3   TRP   27   2.29 +/- 0.04  99.999% * 98.9970% (1.00   4.44  96.23) = 100.000%  kept
          HA    ALA   91 - HB3   TRP   27  16.68 +/- 0.81   0.001% *  0.4115% (0.92   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   TRP   27  19.31 +/- 0.28   0.000% *  0.3570% (0.80   0.02   0.02) =   0.000%
          HA    PRO   52 - HB3   TRP   27  21.38 +/- 0.40   0.000% *  0.2345% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 96.2:
    * O T HB2   TRP   27 - HB3   TRP   27   1.75 +/- 0.00  99.997% * 99.4211% (1.00   4.97  96.23) = 100.000%  kept
          HA    THR   77 - HB3   TRP   27   9.89 +/- 0.27   0.003% *  0.1792% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   93 - HB3   TRP   27  18.12 +/- 0.36   0.000% *  0.3997% (1.00   0.02   0.02) =   0.000%
    Distance limit 2.71 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 = 4.22, residual support = 89.5:
    * O T HB2   ASN   28 - HA    ASN   28   3.03 +/- 0.03  99.112% * 98.1986% (1.00   4.22  89.52) =  99.997%  kept
          QE    LYS+  33 - HA    ASN   28   8.68 +/- 1.36   0.286% *  0.4557% (0.98   0.02   0.02) =   0.001%
        T HB2   ASN   35 - HA    ASN   28   7.35 +/- 0.49   0.529% *  0.2084% (0.45   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HA    ASN   28  10.52 +/- 0.43   0.059% *  0.3723% (0.80   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   28  14.26 +/- 0.51   0.009% *  0.0717% (0.15   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   28  17.62 +/- 0.57   0.003% *  0.2446% (0.53   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   28  20.96 +/- 1.29   0.001% *  0.4487% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 89.5:
    * O T HB3   ASN   28 - HA    ASN   28   2.67 +/- 0.08  99.378% * 99.2690% (1.00   4.20  89.52) =  99.997%  kept
          HG2   GLN   30 - HA    ASN   28   6.32 +/- 0.48   0.621% *  0.4363% (0.92   0.02   6.34) =   0.003%
          QE    LYS+ 121 - HA    ASN   28  22.46 +/- 1.37   0.000% *  0.2119% (0.45   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASN   28  22.01 +/- 0.89   0.000% *  0.0828% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 4.22, residual support = 89.5:
    * O T HA    ASN   28 - HB2   ASN   28   3.03 +/- 0.03  93.500% * 96.8234% (1.00   4.22  89.52) =  99.990%  kept
          HA    THR   26 - HB2   ASN   28   5.30 +/- 0.19   3.394% *  0.1415% (0.31   0.02   0.11) =   0.005%
          HA    ALA   34 - HB2   ASN   35   5.64 +/- 0.19   2.313% *  0.1349% (0.29   0.02  18.58) =   0.003%
        T HA    ASN   28 - HB2   ASN   35   7.35 +/- 0.49   0.499% *  0.1426% (0.31   0.02   0.02) =   0.001%
          HA1   GLY  101 - HB2   ASN   35   9.07 +/- 1.77   0.231% *  0.1142% (0.25   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ASN   28  12.42 +/- 0.19   0.020% *  0.4336% (0.95   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ASN   28  15.76 +/- 2.19   0.006% *  0.3671% (0.80   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   ASN   35  11.98 +/- 0.38   0.025% *  0.0440% (0.10   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   28  14.17 +/- 0.52   0.009% *  0.0803% (0.18   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   28  25.77 +/- 0.54   0.000% *  0.4574% (1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   28  26.85 +/- 0.79   0.000% *  0.2965% (0.65   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   ASN   35  24.08 +/- 0.48   0.000% *  0.1423% (0.31   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   28  29.25 +/- 0.64   0.000% *  0.2965% (0.65   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ASN   35  20.35 +/- 0.67   0.001% *  0.0250% (0.05   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   35  25.41 +/- 1.09   0.000% *  0.0750% (0.16   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ASN   28  31.50 +/- 0.93   0.000% *  0.2412% (0.53   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ASN   35  27.25 +/- 0.56   0.000% *  0.0922% (0.20   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   ASN   35  29.27 +/- 0.78   0.000% *  0.0922% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 89.5:
    * O T HB3   ASN   28 - HB2   ASN   28   1.75 +/- 0.00  99.961% * 99.1008% (1.00   5.16  89.52) = 100.000%  kept
          HG2   GLN   30 - HB2   ASN   28   7.08 +/- 0.48   0.025% *  0.3549% (0.92   0.02   6.34) =   0.000%
        T HB3   ASN   28 - HB2   ASN   35   8.14 +/- 0.70   0.011% *  0.1196% (0.31   0.02   0.02) =   0.000%
          HG2   GLN   30 - HB2   ASN   35  10.05 +/- 0.58   0.003% *  0.1104% (0.29   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   35  20.59 +/- 1.50   0.000% *  0.0536% (0.14   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASN   28  25.06 +/- 1.36   0.000% *  0.1724% (0.45   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   35  20.32 +/- 1.01   0.000% *  0.0209% (0.05   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASN   28  24.81 +/- 0.80   0.000% *  0.0673% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.43 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 = 89.5:
    * O T HA    ASN   28 - HB3   ASN   28   2.67 +/- 0.08  99.424% * 97.6527% (1.00   4.20  89.52) =  99.999%  kept
          HA    THR   26 - HB3   ASN   28   6.44 +/- 0.27   0.552% *  0.1435% (0.31   0.02   0.11) =   0.001%
          HA    ALA   34 - HB3   ASN   28  11.59 +/- 0.32   0.015% *  0.4399% (0.95   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   ASN   28  14.64 +/- 2.38   0.005% *  0.3723% (0.80   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   ASN   28  15.09 +/- 0.67   0.003% *  0.0814% (0.18   0.02   0.02) =   0.000%
          HA    LEU  115 - HB3   ASN   28  25.85 +/- 0.65   0.000% *  0.4640% (1.00   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   ASN   28  27.70 +/- 0.87   0.000% *  0.3008% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   ASN   28  29.24 +/- 0.76   0.000% *  0.3008% (0.65   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   ASN   28  31.00 +/- 1.05   0.000% *  0.2446% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 89.5:
    * O T HB2   ASN   28 - HB3   ASN   28   1.75 +/- 0.00  99.978% * 98.5190% (1.00   5.16  89.52) = 100.000%  kept
          QE    LYS+  33 - HB3   ASN   28   9.30 +/- 1.77   0.009% *  0.3746% (0.98   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HB3   ASN   28   8.14 +/- 0.70   0.011% *  0.1714% (0.45   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HB3   ASN   28  11.65 +/- 0.53   0.001% *  0.3060% (0.80   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   28  18.73 +/- 0.89   0.000% *  0.2011% (0.53   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   28  15.60 +/- 0.72   0.000% *  0.0590% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASN   28  22.84 +/- 1.22   0.000% *  0.3689% (0.97   0.02   0.02) =   0.000%
    Distance limit 2.45 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 = 4.76, residual support = 88.1:
    * O T HB2   GLU-  29 - HA    GLU-  29   2.90 +/- 0.16  99.302% * 96.8099% (1.00   4.76  88.05) =  99.999%  kept
        T HB2   GLU-  29 - HA    GLN   32   8.24 +/- 0.31   0.191% *  0.0911% (0.22   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HA    LYS+  33   8.62 +/- 0.52   0.147% *  0.1116% (0.27   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    LYS+  33   9.62 +/- 1.93   0.181% *  0.0221% (0.05   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLU-  29  12.96 +/- 2.05   0.020% *  0.1256% (0.31   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLU-  29  12.69 +/- 1.64   0.021% *  0.0805% (0.20   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    LYS+  33  12.12 +/- 1.90   0.031% *  0.0344% (0.08   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LYS+  33  12.44 +/- 1.39   0.022% *  0.0419% (0.10   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLN   32  12.43 +/- 1.52   0.023% *  0.0342% (0.08   0.02   0.02) =   0.000%
        T HB3   PHE   72 - HA    GLU-  29  15.24 +/- 0.39   0.005% *  0.1527% (0.37   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    GLU-  29  17.52 +/- 1.50   0.002% *  0.1527% (0.37   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU-  29  17.63 +/- 0.46   0.002% *  0.1824% (0.45   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   32  13.04 +/- 1.94   0.020% *  0.0180% (0.04   0.02   0.02) =   0.000%
        T HB3   PHE   72 - HA    LYS+  33  14.18 +/- 0.51   0.008% *  0.0419% (0.10   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLU-  29  16.83 +/- 0.43   0.003% *  0.1131% (0.28   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLU-  29  19.55 +/- 1.81   0.001% *  0.1824% (0.45   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   32  15.11 +/- 2.04   0.008% *  0.0281% (0.07   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   32  15.45 +/- 0.40   0.005% *  0.0342% (0.08   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU-  29  24.13 +/- 0.40   0.000% *  0.2795% (0.69   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLU-  29  26.11 +/- 0.65   0.000% *  0.3259% (0.80   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    LYS+  33  17.67 +/- 0.36   0.002% *  0.0310% (0.08   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU-  29  27.40 +/- 1.14   0.000% *  0.3989% (0.98   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   32  17.60 +/- 0.41   0.002% *  0.0253% (0.06   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    GLN   32  20.24 +/- 1.26   0.001% *  0.0409% (0.10   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  33  22.27 +/- 0.33   0.001% *  0.0767% (0.19   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLN   32  21.62 +/- 0.46   0.001% *  0.0626% (0.15   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLN   32  20.80 +/- 0.42   0.001% *  0.0409% (0.10   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  33  21.94 +/- 0.51   0.001% *  0.0500% (0.12   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LYS+  33  24.40 +/- 0.70   0.000% *  0.0894% (0.22   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LYS+  33  22.59 +/- 1.32   0.000% *  0.0500% (0.12   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   32  24.90 +/- 0.75   0.000% *  0.0730% (0.18   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLN   32  28.40 +/- 0.84   0.000% *  0.0893% (0.22   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  33  29.93 +/- 0.83   0.000% *  0.1094% (0.27   0.02   0.02) =   0.000%
    Distance limit 2.73 A violated in 0 structures by 0.18 A, kept.
 
    Peak 194 (2.16, 4.00, 59.66 ppm):
    18 chemical-shift based assignments, quality = 0.907, support = 4.94, residual support = 88.0:
    * O T HG3   GLU-  29 - HA    GLU-  29   2.81 +/- 0.35  41.525% * 54.6750% (1.00   4.92  88.05) =  54.619%  kept
      O   HB3   GLU-  29 - HA    GLU-  29   2.76 +/- 0.19  42.601% * 44.2698% (0.80   4.97  88.05) =  45.370%  kept
          QB    GLU-  36 - HA    LYS+  33   3.34 +/- 0.30  14.042% *  0.0297% (0.13   0.02   0.02) =   0.010%
          QB    GLU-  36 - HA    GLN   32   4.78 +/- 0.27   1.550% *  0.0242% (0.11   0.02   0.02) =   0.001%
          QB    GLU-  36 - HA    GLU-  29   8.64 +/- 0.28   0.042% *  0.1082% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  33   8.16 +/- 0.65   0.067% *  0.0488% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   32   8.07 +/- 0.28   0.065% *  0.0399% (0.18   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   32   8.45 +/- 0.43   0.049% *  0.0498% (0.22   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - HA    LYS+  33   9.69 +/- 0.47   0.021% *  0.0610% (0.27   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    LYS+  33   9.62 +/- 0.52   0.023% *  0.0443% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   32  10.76 +/- 0.25   0.011% *  0.0362% (0.16   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLU-  29  15.84 +/- 0.29   0.001% *  0.1614% (0.72   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  29  15.03 +/- 0.67   0.002% *  0.0914% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  29  22.91 +/- 1.27   0.000% *  0.2103% (0.94   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLN   32  18.52 +/- 0.83   0.000% *  0.0205% (0.09   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    LYS+  33  20.27 +/- 0.67   0.000% *  0.0251% (0.11   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLN   32  23.93 +/- 0.87   0.000% *  0.0471% (0.21   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  33  26.64 +/- 0.95   0.000% *  0.0577% (0.26   0.02   0.02) =   0.000%
    Distance limit 2.61 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 = 88.1:
    * O T HG2   GLU-  29 - HA    GLU-  29   2.51 +/- 0.36  99.756% * 97.5410% (1.00   4.36  88.05) = 100.000%  kept
        T HG2   GLU-  29 - HA    LYS+  33   8.78 +/- 0.60   0.115% *  0.1227% (0.27   0.02   0.02) =   0.000%
        T HG2   GLU-  29 - HA    GLN   32   8.07 +/- 0.47   0.115% *  0.1002% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  29  16.02 +/- 0.53   0.002% *  0.4316% (0.96   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  18.29 +/- 0.29   0.001% *  0.2893% (0.65   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLN   32  15.73 +/- 0.84   0.003% *  0.0967% (0.22   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLU-  29  17.89 +/- 0.42   0.001% *  0.0996% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    LYS+  33  19.63 +/- 0.84   0.001% *  0.1184% (0.26   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    GLN   32  15.81 +/- 0.44   0.002% *  0.0223% (0.05   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  19.44 +/- 0.25   0.001% *  0.0648% (0.14   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  21.07 +/- 0.22   0.000% *  0.0793% (0.18   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  29  25.76 +/- 0.59   0.000% *  0.2713% (0.61   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  26.49 +/- 0.67   0.000% *  0.2893% (0.65   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    LYS+  33  17.67 +/- 0.46   0.001% *  0.0273% (0.06   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.65 +/- 0.29   0.000% *  0.1115% (0.25   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    LYS+  33  24.19 +/- 0.73   0.000% *  0.0744% (0.17   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  26.15 +/- 0.81   0.000% *  0.0793% (0.18   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLN   32  25.67 +/- 0.76   0.000% *  0.0608% (0.14   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  26.52 +/- 0.64   0.000% *  0.0648% (0.14   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.20 +/- 0.28   0.000% *  0.0306% (0.07   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.46 +/- 0.30   0.000% *  0.0250% (0.06   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 2 structures by 0.06 A, kept.
 
    Peak 196 (4.00, 2.25, 30.32 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 4.76, residual support = 88.1:
    * O T HA    GLU-  29 - HB2   GLU-  29   2.90 +/- 0.16  99.640% * 97.4344% (1.00   4.76  88.05) =  99.999%  kept
        T HA    LYS+  33 - HB2   GLU-  29   8.62 +/- 0.52   0.147% *  0.3883% (0.95   0.02   0.02) =   0.001%
        T HA    GLN   32 - HB2   GLU-  29   8.24 +/- 0.31   0.192% *  0.1840% (0.45   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLU-  29  13.59 +/- 0.57   0.011% *  0.4105% (1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLU-  29  15.78 +/- 1.08   0.005% *  0.4068% (0.99   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   GLU-  29  16.24 +/- 0.47   0.003% *  0.2820% (0.69   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLU-  29  20.38 +/- 1.15   0.001% *  0.2981% (0.73   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   GLU-  29  21.44 +/- 0.70   0.001% *  0.1998% (0.49   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   GLU-  29  24.85 +/- 0.88   0.000% *  0.1141% (0.28   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   GLU-  29  29.02 +/- 0.61   0.000% *  0.2820% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 0.824, support = 4.73, residual support = 88.1:
      O   HB3   GLU-  29 - HB2   GLU-  29   1.75 +/- 0.00  90.512% * 44.3744% (0.80   4.73  88.05) =  88.500%  kept
    * O T HG3   GLU-  29 - HB2   GLU-  29   2.63 +/- 0.28   9.485% * 55.0233% (1.00   4.70  88.05) =  11.500%  kept
          QB    GLU-  36 - HB2   GLU-  29  10.51 +/- 0.52   0.002% *  0.1141% (0.49   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - HB2   GLU-  29  13.37 +/- 1.14   0.001% *  0.0964% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   GLU-  29  17.49 +/- 0.35   0.000% *  0.1702% (0.73   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   GLU-  29  22.26 +/- 1.37   0.000% *  0.2217% (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 = 4.21, residual support = 88.1:
    * O T HG2   GLU-  29 - HB2   GLU-  29   2.81 +/- 0.30  99.992% * 98.4378% (1.00   4.21  88.05) = 100.000%  kept
          HB3   ASP-  86 - HB2   GLU-  29  16.60 +/- 0.71   0.003% *  0.4518% (0.97   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   GLU-  29  17.24 +/- 0.71   0.002% *  0.3028% (0.65   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   GLU-  29  18.19 +/- 0.64   0.002% *  0.1042% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   GLU-  29  24.53 +/- 0.71   0.000% *  0.2839% (0.61   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   GLU-  29  25.38 +/- 0.93   0.000% *  0.3028% (0.65   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  29  23.19 +/- 0.61   0.000% *  0.1167% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 88.1:
    * O T HA    GLU-  29 - HG2   GLU-  29   2.51 +/- 0.36  99.762% * 97.2082% (1.00   4.36  88.05) =  99.999%  kept
        T HA    LYS+  33 - HG2   GLU-  29   8.78 +/- 0.60   0.115% *  0.4225% (0.95   0.02   0.02) =   0.001%
        T HA    GLN   32 - HG2   GLU-  29   8.07 +/- 0.47   0.115% *  0.2003% (0.45   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   GLU-  29  15.94 +/- 0.83   0.003% *  0.4467% (1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLU-  29  16.50 +/- 0.84   0.002% *  0.4427% (0.99   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   GLU-  29  17.83 +/- 0.79   0.001% *  0.3068% (0.69   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLU-  29  22.45 +/- 0.91   0.000% *  0.3244% (0.73   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   GLU-  29  22.80 +/- 0.50   0.000% *  0.2174% (0.49   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   GLU-  29  31.26 +/- 0.84   0.000% *  0.3068% (0.69   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   GLU-  29  27.13 +/- 0.76   0.000% *  0.1242% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 88.0:
    * O T HB2   GLU-  29 - HG2   GLU-  29   2.81 +/- 0.30  99.944% * 16.9500% (1.00   0.02  88.05) =  99.983%  kept
          QG    GLU-  14 - HG2   GLU-  29  12.81 +/- 2.29   0.033% *  5.2316% (0.31   0.02   0.02) =   0.010%
          QG    GLU-  15 - HG2   GLU-  29  13.28 +/- 1.57   0.014% *  3.3544% (0.20   0.02   0.02) =   0.003%
          HB3   PHE   72 - HG2   GLU-  29  16.45 +/- 0.79   0.003% *  6.3615% (0.38   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HG2   GLU-  29  17.79 +/- 0.57   0.002% *  7.5992% (0.45   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HG2   GLU-  29  17.97 +/- 0.71   0.002% *  4.7127% (0.28   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   GLU-  29  19.75 +/- 1.65   0.001% *  6.3615% (0.38   0.02   0.02) =   0.000%
          QG    GLN   90 - HG2   GLU-  29  20.48 +/- 1.96   0.001% *  7.5992% (0.45   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG2   GLU-  29  26.09 +/- 0.69   0.000% * 11.6431% (0.69   0.02   0.02) =   0.000%
          HG3   MET   92 - HG2   GLU-  29  28.32 +/- 1.29   0.000% * 16.6143% (0.98   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG2   GLU-  29  27.65 +/- 1.03   0.000% * 13.5725% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 13 structures by 0.36 A, eliminated.
    Peak unassigned.
 
    Peak 206 (2.16, 2.43, 36.74 ppm):
    6 chemical-shift based assignments, quality = 0.988, support = 4.42, residual support = 88.1:
    * O T HG3   GLU-  29 - HG2   GLU-  29   1.75 +/- 0.00  92.374% * 55.5926% (1.00   4.43  88.05) =  93.900%  kept
      O T HB3   GLU-  29 - HG2   GLU-  29   2.71 +/- 0.24   7.623% * 43.7617% (0.80   4.35  88.05) =   6.100%  kept
        T QB    GLU-  36 - HG2   GLU-  29  10.15 +/- 0.44   0.003% *  0.1223% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  29  15.07 +/- 0.74   0.000% *  0.1033% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HG2   GLU-  29  17.89 +/- 0.61   0.000% *  0.1825% (0.73   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  29  23.86 +/- 1.47   0.000% *  0.2377% (0.95   0.02   0.02) =   0.000%
    Distance limit 2.57 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 = 0.958, support = 4.87, residual support = 160.6:
    * O T HB2   GLN   30 - HA    GLN   30   2.47 +/- 0.12  64.322% * 53.7397% (1.00   4.92 160.63) =  68.264%  kept
      O T HG3   GLN   30 - HA    GLN   30   2.84 +/- 0.47  35.648% * 45.0798% (0.87   4.76 160.63) =  31.736%  kept
          QB    GLU-  15 - HA    GLN   30   9.50 +/- 1.32   0.025% *  0.0382% (0.18   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    GLN   30  15.86 +/- 1.38   0.001% *  0.2164% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLN   30  13.40 +/- 0.55   0.003% *  0.0382% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLN   30  17.57 +/- 1.46   0.001% *  0.1063% (0.49   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HA    GLN   30  20.89 +/- 0.66   0.000% *  0.1236% (0.57   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLN   30  23.94 +/- 0.39   0.000% *  0.2183% (1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLN   30  24.74 +/- 0.92   0.000% *  0.2015% (0.92   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLN   30  27.21 +/- 0.78   0.000% *  0.1894% (0.87   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HA    GLN   30  27.90 +/- 0.60   0.000% *  0.0486% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 0.96, support = 4.97, residual support = 152.0:
    * O T HB3   GLN   30 - HA    GLN   30   3.03 +/- 0.04  38.765% * 94.7158% (1.00   5.21 160.63) =  94.635%  kept
          QB    LYS+  33 - HA    GLN   30   2.82 +/- 0.58  61.215% *  3.4002% (0.25   0.75   0.02) =   5.365%  kept
          HB3   LYS+  38 - HA    GLN   30  13.78 +/- 0.32   0.004% *  0.3440% (0.95   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLN   30  15.80 +/- 4.18   0.012% *  0.0637% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLN   30  18.03 +/- 0.45   0.001% *  0.1365% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   30  18.63 +/- 0.31   0.001% *  0.1495% (0.41   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   30  23.31 +/- 0.38   0.000% *  0.3037% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   30  23.90 +/- 0.32   0.000% *  0.3037% (0.84   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   30  24.82 +/- 0.58   0.000% *  0.3509% (0.97   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   30  19.70 +/- 0.38   0.001% *  0.0637% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   30  22.87 +/- 1.45   0.000% *  0.1122% (0.31   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   30  26.37 +/- 0.92   0.000% *  0.0561% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 160.6:
    * O T HG2   GLN   30 - HA    GLN   30   3.06 +/- 0.33  99.399% * 99.3343% (1.00   5.82 160.63) =  99.998%  kept
          HB3   ASN   28 - HA    GLN   30   7.41 +/- 0.16   0.598% *  0.3150% (0.92   0.02   6.34) =   0.002%
          QE    LYS+ 121 - HA    GLN   30  22.38 +/- 1.19   0.001% *  0.2344% (0.69   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    GLN   30  20.18 +/- 0.68   0.001% *  0.1164% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 4.92, residual support = 160.6:
    * O T HA    GLN   30 - HB2   GLN   30   2.47 +/- 0.12  99.854% * 98.6642% (1.00   4.92 160.63) = 100.000%  kept
          HB    THR   39 - HB2   GLN   30   8.94 +/- 0.34   0.049% *  0.0999% (0.25   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   GLN   30  11.38 +/- 2.93   0.037% *  0.1114% (0.28   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   GLN   30   8.67 +/- 0.38   0.057% *  0.0618% (0.15   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   GLN   30  16.61 +/- 1.05   0.001% *  0.2269% (0.57   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLN   30  19.67 +/- 0.67   0.000% *  0.3063% (0.76   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   GLN   30  24.01 +/- 0.48   0.000% *  0.3973% (0.99   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   GLN   30  18.24 +/- 0.59   0.001% *  0.0618% (0.15   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   GLN   30  21.35 +/- 0.30   0.000% *  0.0702% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 4.16, residual support = 160.6:
    * O T HB3   GLN   30 - HB2   GLN   30   1.75 +/- 0.00  99.366% * 97.4574% (1.00   4.16 160.63) =  99.999%  kept
          QB    LYS+  33 - HB2   GLN   30   4.19 +/- 0.41   0.633% *  0.1167% (0.25   0.02   0.02) =   0.001%
          HB3   LYS+  38 - HB2   GLN   30  13.91 +/- 0.31   0.000% *  0.4429% (0.95   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   GLN   30  16.66 +/- 3.69   0.000% *  0.0820% (0.18   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HB2   GLN   30  16.92 +/- 0.52   0.000% *  0.1925% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   GLN   30  17.14 +/- 0.57   0.000% *  0.1757% (0.38   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   30  20.92 +/- 0.42   0.000% *  0.3911% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   30  21.55 +/- 0.30   0.000% *  0.3911% (0.84   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   GLN   30  22.73 +/- 0.65   0.000% *  0.4519% (0.97   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   30  17.73 +/- 0.51   0.000% *  0.0820% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   GLN   30  21.27 +/- 1.46   0.000% *  0.1445% (0.31   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB2   GLN   30  24.12 +/- 0.88   0.000% *  0.0722% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.59 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 = 160.6:
    * O T HG2   GLN   30 - HB2   GLN   30   2.87 +/- 0.20  99.831% * 99.3600% (1.00   6.06 160.63) =  99.999%  kept
          HB3   ASN   28 - HB2   GLN   30   8.46 +/- 0.22   0.166% *  0.3028% (0.92   0.02   6.34) =   0.001%
          HB3   HIS  122 - HB2   GLN   30  18.21 +/- 0.61   0.002% *  0.1119% (0.34   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   GLN   30  20.75 +/- 1.15   0.001% *  0.2253% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 216 (3.84, 1.89, 28.09 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.21, residual support = 160.6:
    * O T HA    GLN   30 - HB3   GLN   30   3.03 +/- 0.04  99.750% * 98.7367% (1.00   5.21 160.63) = 100.000%  kept
          HB    THR   39 - HB3   GLN   30   9.97 +/- 0.48   0.081% *  0.0945% (0.25   0.02   0.02) =   0.000%
          QB    SER   13 - HB3   GLN   30  12.62 +/- 2.91   0.057% *  0.1054% (0.28   0.02   0.02) =   0.000%
          HB3   SER   37 - HB3   GLN   30   9.70 +/- 0.59   0.098% *  0.0585% (0.15   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   GLN   30  14.96 +/- 1.05   0.008% *  0.2146% (0.57   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLN   30  19.35 +/- 0.64   0.001% *  0.2897% (0.76   0.02   0.02) =   0.000%
          HA    ILE   89 - HB3   GLN   30  17.10 +/- 0.37   0.003% *  0.0585% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB3   GLN   30  23.37 +/- 0.42   0.000% *  0.3757% (0.99   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   GLN   30  21.47 +/- 0.37   0.001% *  0.0664% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 217 (2.04, 1.89, 28.09 ppm):
    11 chemical-shift based assignments, quality = 0.992, support = 4.21, residual support = 160.6:
    * O T HB2   GLN   30 - HB3   GLN   30   1.75 +/- 0.00  94.545% * 48.1659% (1.00   4.16 160.63) =  94.291%  kept
      O   HG3   GLN   30 - HB3   GLN   30   2.86 +/- 0.18   5.451% * 50.5828% (0.87   5.04 160.63) =   5.709%  kept
          QB    GLU-  15 - HB3   GLN   30  10.39 +/- 1.23   0.003% *  0.0405% (0.18   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   30  15.82 +/- 1.16   0.000% *  0.2294% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   GLN   30  12.72 +/- 0.52   0.001% *  0.0405% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   GLN   30  17.56 +/- 1.44   0.000% *  0.1126% (0.49   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   GLN   30  18.07 +/- 0.65   0.000% *  0.1310% (0.57   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   30  22.02 +/- 0.48   0.000% *  0.2314% (1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HB3   GLN   30  21.94 +/- 0.94   0.000% *  0.2136% (0.92   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HB3   GLN   30  24.76 +/- 0.73   0.000% *  0.2007% (0.87   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   30  25.23 +/- 0.67   0.000% *  0.0515% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.41 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 = 6.01, residual support = 160.6:
    * O T HG2   GLN   30 - HB3   GLN   30   2.63 +/- 0.28  99.737% * 99.3544% (1.00   6.01 160.63) =  99.999%  kept
          HB3   ASN   28 - HB3   GLN   30   7.18 +/- 0.32   0.261% *  0.3054% (0.92   0.02   6.34) =   0.001%
          QE    LYS+ 121 - HB3   GLN   30  20.89 +/- 1.16   0.000% *  0.2273% (0.69   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB3   GLN   30  18.77 +/- 0.79   0.001% *  0.1129% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 160.6:
    * O T HA    GLN   30 - HG2   GLN   30   3.06 +/- 0.33  99.769% * 98.8683% (1.00   5.82 160.63) = 100.000%  kept
          QB    SER   13 - HG2   GLN   30  11.55 +/- 2.87   0.124% *  0.0944% (0.28   0.02   0.02) =   0.000%
          HB    THR   39 - HG2   GLN   30  11.60 +/- 0.40   0.041% *  0.0847% (0.25   0.02   0.02) =   0.000%
          HB3   SER   37 - HG2   GLN   30  11.06 +/- 0.45   0.052% *  0.0524% (0.15   0.02   0.02) =   0.000%
          HB3   SER   82 - HG2   GLN   30  15.56 +/- 0.99   0.008% *  0.1923% (0.57   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLN   30  19.68 +/- 0.96   0.002% *  0.2595% (0.76   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG2   GLN   30  23.86 +/- 0.80   0.001% *  0.3366% (0.99   0.02   0.02) =   0.000%
          HA    ILE   89 - HG2   GLN   30  18.58 +/- 0.61   0.003% *  0.0524% (0.15   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLN   30  22.07 +/- 0.66   0.001% *  0.0595% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 6.35, residual support = 160.6:
      O T HG3   GLN   30 - HG2   GLN   30   1.75 +/- 0.00  94.500% * 47.2667% (0.87   6.37 160.63) =  94.008%  kept
    * O T HB2   GLN   30 - HG2   GLN   30   2.87 +/- 0.20   5.495% * 51.8085% (1.00   6.06 160.63) =   5.992%  kept
          QB    GLU-  15 - HG2   GLN   30  10.19 +/- 1.25   0.003% *  0.0300% (0.18   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   GLN   30  12.30 +/- 0.62   0.001% *  0.0300% (0.18   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   GLN   30  18.03 +/- 1.28   0.000% *  0.1695% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   GLN   30  18.30 +/- 1.76   0.000% *  0.0832% (0.49   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HG2   GLN   30  18.99 +/- 0.76   0.000% *  0.0968% (0.57   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLN   30  23.57 +/- 0.63   0.000% *  0.1710% (1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLN   30  23.71 +/- 1.00   0.000% *  0.1579% (0.92   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLN   30  25.10 +/- 1.16   0.000% *  0.1484% (0.87   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   GLN   30  26.81 +/- 0.69   0.000% *  0.0381% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.63 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 = 6.01, residual support = 160.6:
    * O T HB3   GLN   30 - HG2   GLN   30   2.63 +/- 0.28  98.074% * 98.2236% (1.00   6.01 160.63) =  99.998%  kept
          QB    LYS+  33 - HG2   GLN   30   5.55 +/- 0.67   1.911% *  0.0816% (0.25   0.02   0.02) =   0.002%
          HB3   LYS+  38 - HG2   GLN   30  16.33 +/- 0.31   0.002% *  0.3094% (0.95   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   GLN   30  16.41 +/- 3.81   0.007% *  0.0573% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   GLN   30  16.16 +/- 0.61   0.002% *  0.1228% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   GLN   30  18.33 +/- 0.56   0.001% *  0.1345% (0.41   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   GLN   30  21.65 +/- 0.72   0.000% *  0.2732% (0.84   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   GLN   30  22.97 +/- 0.92   0.000% *  0.3157% (0.97   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   GLN   30  22.68 +/- 0.55   0.000% *  0.2732% (0.84   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   GLN   30  21.07 +/- 1.56   0.000% *  0.1010% (0.31   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   GLN   30  19.87 +/- 0.52   0.001% *  0.0573% (0.18   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   GLN   30  24.15 +/- 1.25   0.000% *  0.0505% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 232.2:
    * O T HB2   LEU   31 - HA    LEU   31   3.01 +/- 0.02  99.640% * 97.5451% (1.00   6.00 232.22) =  99.999%  kept
          HG    LEU   98 - HA    LEU   31   8.89 +/- 0.93   0.183% *  0.1711% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   31   9.97 +/- 0.43   0.079% *  0.2361% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   31  11.52 +/- 0.81   0.036% *  0.2716% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   31  12.95 +/- 0.52   0.016% *  0.3138% (0.97   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LEU   31  13.51 +/- 0.60   0.013% *  0.2604% (0.80   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   31  12.71 +/- 0.40   0.018% *  0.1337% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LEU   31  16.13 +/- 0.54   0.004% *  0.2916% (0.90   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   31  14.51 +/- 0.44   0.008% *  0.1220% (0.38   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   31  21.04 +/- 0.97   0.001% *  0.2103% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   31  19.54 +/- 0.56   0.001% *  0.1220% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   31  25.60 +/- 0.34   0.000% *  0.3223% (0.99   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.08 A, kept.
 
    Peak 226 (1.12, 3.61, 58.19 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 232.2:
    * O T HB3   LEU   31 - HA    LEU   31   2.50 +/- 0.08  99.967% * 98.9290% (1.00   6.00 232.22) = 100.000%  kept
          QG1   VAL   24 - HA    LEU   31  10.27 +/- 0.39   0.021% *  0.1478% (0.45   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LEU   31  12.14 +/- 0.39   0.008% *  0.2133% (0.65   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LEU   31  19.40 +/- 0.62   0.000% *  0.3290% (1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HA    LEU   31  16.20 +/- 0.28   0.001% *  0.0578% (0.18   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LEU   31  16.79 +/- 0.24   0.001% *  0.0446% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    LEU   31  21.99 +/- 0.49   0.000% *  0.0917% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    LEU   31  26.25 +/- 1.20   0.000% *  0.1867% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 5.94, residual support = 232.1:
    * O T HG    LEU   31 - HA    LEU   31   3.29 +/- 0.54  67.177% * 98.8624% (0.80   5.94 232.22) =  99.931%  kept
          QG1   VAL   41 - HA    LEU   31   3.92 +/- 0.23  28.658% *  0.1037% (0.25   0.02   0.02) =   0.045%
          QD2   LEU   73 - HA    LEU   31   5.27 +/- 0.42   4.162% *  0.3837% (0.92   0.02   3.24) =   0.024%
          QD1   ILE   56 - HA    LEU   31  18.88 +/- 0.27   0.002% *  0.4148% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    LEU   31  20.79 +/- 0.63   0.001% *  0.2354% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.13 A, kept.
 
    Peak 228 (0.00, 3.61, 58.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.83, residual support = 232.2:
    *   T QD1   LEU   31 - HA    LEU   31   3.42 +/- 0.13 100.000% *100.0000% (1.00   4.83 232.22) = 100.000%  kept
    Distance limit 3.38 A violated in 0 structures by 0.07 A, kept.
 
    Peak 229 (0.07, 3.61, 58.19 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.72, residual support = 232.2:
    *   T QD2   LEU   31 - HA    LEU   31   2.19 +/- 0.58  99.675% * 99.5045% (1.00   5.72 232.22) = 100.000%  kept
        T QG2   VAL   43 - HA    LEU   31   7.14 +/- 0.23   0.241% *  0.0868% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   83 - HA    LEU   31   8.40 +/- 0.47   0.074% *  0.2527% (0.73   0.02   0.02) =   0.000%
          QD1   ILE   89 - HA    LEU   31  12.04 +/- 0.23   0.010% *  0.1560% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 4 structures by 0.09 A, kept.
 
    Peak 230 (3.61, 1.33, 40.94 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 6.0, residual support = 232.2:
    * O T HA    LEU   31 - HB2   LEU   31   3.01 +/- 0.02 100.000% *100.0000% (1.00   6.00 232.22) = 100.000%  kept
    Distance limit 3.58 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 = 232.2:
    * O T HB3   LEU   31 - HB2   LEU   31   1.75 +/- 0.00  99.991% * 98.9290% (1.00   6.00 232.22) = 100.000%  kept
          QG1   VAL   24 - HB2   LEU   31   8.43 +/- 0.28   0.008% *  0.1478% (0.45   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LEU   31  12.67 +/- 0.47   0.001% *  0.2133% (0.65   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LEU   31  21.66 +/- 0.63   0.000% *  0.3290% (1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   LEU   31  17.56 +/- 0.41   0.000% *  0.0578% (0.18   0.02   0.02) =   0.000%
          QG2   VAL  107 - HB2   LEU   31  17.95 +/- 0.36   0.000% *  0.0446% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB2   LEU   31  24.17 +/- 0.58   0.000% *  0.0917% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   LEU   31  28.06 +/- 1.17   0.000% *  0.1867% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 233 (0.79, 1.33, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.98, residual support = 232.2:
    * O T HG    LEU   31 - HB2   LEU   31   2.39 +/- 0.27  99.163% * 98.8709% (0.80   5.98 232.22) =  99.998%  kept
          QD2   LEU   73 - HB2   LEU   31   6.98 +/- 0.51   0.327% *  0.3809% (0.92   0.02   3.24) =   0.001%
          QG1   VAL   41 - HB2   LEU   31   6.17 +/- 0.28   0.509% *  0.1029% (0.25   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB2   LEU   31  20.12 +/- 0.39   0.000% *  0.4117% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB2   LEU   31  22.94 +/- 0.80   0.000% *  0.2336% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 232.2:
    * O T QD1   LEU   31 - HB2   LEU   31   2.77 +/- 0.08 100.000% *100.0000% (1.00   4.87 232.22) = 100.000%  kept
    Distance limit 3.31 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 = 232.2:
    * O T QD2   LEU   31 - HB2   LEU   31   2.91 +/- 0.39  99.064% * 99.5083% (1.00   5.76 232.22) =  99.998%  kept
          QG2   VAL   83 - HB2   LEU   31   7.17 +/- 0.38   0.559% *  0.2508% (0.73   0.02   0.02) =   0.001%
        T QG2   VAL   43 - HB2   LEU   31   7.64 +/- 0.41   0.355% *  0.0861% (0.25   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB2   LEU   31  12.19 +/- 0.29   0.022% *  0.1548% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 232.2:
    * O T HA    LEU   31 - HB3   LEU   31   2.50 +/- 0.08 100.000% *100.0000% (1.00   6.00 232.22) = 100.000%  kept
    Distance limit 3.28 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 = 232.2:
    * O T HB2   LEU   31 - HB3   LEU   31   1.75 +/- 0.00  99.985% * 97.5451% (1.00   6.00 232.22) = 100.000%  kept
          HG    LEU   98 - HB3   LEU   31   8.65 +/- 1.11   0.009% *  0.1711% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   31  10.42 +/- 0.54   0.002% *  0.2361% (0.73   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   31  12.36 +/- 0.51   0.001% *  0.3138% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   31  12.29 +/- 0.92   0.001% *  0.2716% (0.84   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   31  12.13 +/- 0.39   0.001% *  0.1337% (0.41   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LEU   31  14.65 +/- 0.68   0.000% *  0.2604% (0.80   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   31  13.62 +/- 0.35   0.000% *  0.1220% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LEU   31  17.80 +/- 0.50   0.000% *  0.2916% (0.90   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   31  20.15 +/- 0.49   0.000% *  0.1220% (0.38   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   31  22.37 +/- 0.94   0.000% *  0.2103% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   31  25.87 +/- 0.36   0.000% *  0.3223% (0.99   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 238 (1.12, 1.12, 40.94 ppm):
    1 diagonal assignment:
    *     HB3   LEU   31 - HB3   LEU   31  (1.00)  kept
 
    Peak 239 (0.79, 1.12, 40.94 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 5.98, residual support = 232.2:
    * O T HG    LEU   31 - HB3   LEU   31   2.91 +/- 0.07  95.522% * 98.8706% (0.80   5.98 232.22) =  99.994%  kept
          QG1   VAL   41 - HB3   LEU   31   5.01 +/- 0.33   3.932% *  0.1029% (0.25   0.02   0.02) =   0.004%
        T QD2   LEU   73 - HB3   LEU   31   6.94 +/- 0.41   0.544% *  0.3810% (0.92   0.02   3.24) =   0.002%
          QD1   ILE   56 - HB3   LEU   31  19.66 +/- 0.30   0.001% *  0.4118% (1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB3   LEU   31  21.53 +/- 0.79   0.001% *  0.2337% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 232.2:
    * O T QD1   LEU   31 - HB3   LEU   31   2.04 +/- 0.07 100.000% *100.0000% (1.00   4.87 232.22) = 100.000%  kept
    Distance limit 3.20 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 = 232.2:
    * O T QD2   LEU   31 - HB3   LEU   31   2.85 +/- 0.14  99.277% * 99.5081% (1.00   5.76 232.22) =  99.999%  kept
          QG2   VAL   83 - HB3   LEU   31   7.43 +/- 0.44   0.349% *  0.2509% (0.73   0.02   0.02) =   0.001%
        T QG2   VAL   43 - HB3   LEU   31   7.38 +/- 0.38   0.354% *  0.0861% (0.25   0.02   0.02) =   0.000%
          QD1   ILE   89 - HB3   LEU   31  11.76 +/- 0.23   0.021% *  0.1549% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 242 (3.61, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 5.94, residual support = 232.2:
    * O T HA    LEU   31 - HG    LEU   31   3.29 +/- 0.54 100.000% *100.0000% (0.80   5.94 232.22) = 100.000%  kept
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 243 (1.33, 0.79, 27.16 ppm):
    12 chemical-shift based assignments, quality = 0.801, support = 5.98, residual support = 232.2:
    * O T HB2   LEU   31 - HG    LEU   31   2.39 +/- 0.27  99.818% * 97.5391% (0.80   5.98 232.22) = 100.000%  kept
          HG    LEU   98 - HG    LEU   31   9.07 +/- 1.37   0.118% *  0.1715% (0.42   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   31  10.04 +/- 0.84   0.019% *  0.3146% (0.77   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   31  10.46 +/- 0.49   0.016% *  0.1340% (0.33   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG    LEU   31  12.98 +/- 0.92   0.007% *  0.2610% (0.64   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   31  12.82 +/- 0.80   0.008% *  0.2367% (0.58   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   31  13.80 +/- 1.32   0.006% *  0.2723% (0.67   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   31  12.99 +/- 0.30   0.005% *  0.1223% (0.30   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG    LEU   31  16.78 +/- 1.12   0.002% *  0.2923% (0.72   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   31  18.38 +/- 0.72   0.001% *  0.1223% (0.30   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   31  22.69 +/- 1.15   0.000% *  0.2109% (0.52   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   31  24.67 +/- 0.67   0.000% *  0.3231% (0.79   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (1.12, 0.79, 27.16 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.98, residual support = 232.2:
    * O T HB3   LEU   31 - HG    LEU   31   2.91 +/- 0.07  99.573% * 98.9261% (0.80   5.98 232.22) =  99.999%  kept
          QG1   VAL   24 - HG    LEU   31   7.72 +/- 1.02   0.391% *  0.1483% (0.36   0.02   0.02) =   0.001%
          QB    ALA   20 - HG    LEU   31  11.40 +/- 0.26   0.028% *  0.2139% (0.52   0.02   0.02) =   0.000%
          HG13  ILE  119 - HG    LEU   31  20.02 +/- 0.96   0.001% *  0.3299% (0.80   0.02   0.02) =   0.000%
          QG1   VAL  107 - HG    LEU   31  16.14 +/- 0.74   0.003% *  0.0579% (0.14   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG    LEU   31  16.38 +/- 0.61   0.003% *  0.0448% (0.11   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HG    LEU   31  23.01 +/- 1.16   0.000% *  0.0919% (0.22   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG    LEU   31  26.15 +/- 1.27   0.000% *  0.1872% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 245 (0.79, 0.79, 27.16 ppm):
    1 diagonal assignment:
    *     HG    LEU   31 - HG    LEU   31  (0.64)  kept
 
    Peak 246 (0.00, 0.79, 27.16 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.96, residual support = 232.2:
    * O T QD1   LEU   31 - HG    LEU   31   2.10 +/- 0.02 100.000% *100.0000% (0.80   4.96 232.22) = 100.000%  kept
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 247 (0.07, 0.79, 27.16 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 232.2:
    * O T QD2   LEU   31 - HG    LEU   31   2.12 +/- 0.01  99.496% * 99.5159% (0.80   5.85 232.22) =  99.999%  kept
          QG2   VAL   83 - HG    LEU   31   5.96 +/- 0.72   0.268% *  0.2469% (0.58   0.02   0.02) =   0.001%
        T QG2   VAL   43 - HG    LEU   31   5.95 +/- 0.43   0.230% *  0.0848% (0.20   0.02   0.02) =   0.000%
          QD1   ILE   89 - HG    LEU   31  10.64 +/- 0.29   0.006% *  0.1524% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 248 (3.61, 0.00, 23.44 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.83, residual support = 232.2:
    *   T HA    LEU   31 - QD1   LEU   31   3.42 +/- 0.13 100.000% *100.0000% (1.00   4.83 232.22) = 100.000%  kept
    Distance limit 3.79 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 = 232.2:
    * O T HB2   LEU   31 - QD1   LEU   31   2.77 +/- 0.08  97.663% * 96.9946% (1.00   4.87 232.22) =  99.995%  kept
          HG    LEU   98 - QD1   LEU   31   5.95 +/- 1.05   1.883% *  0.2094% (0.53   0.02   0.02) =   0.004%
          HB3   LEU   80 - QD1   LEU   31   8.49 +/- 0.63   0.130% *  0.3842% (0.97   0.02   0.02) =   0.001%
          QB    ALA   84 - QD1   LEU   31   8.29 +/- 0.40   0.142% *  0.1636% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   31  10.57 +/- 0.84   0.037% *  0.3325% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   31  10.24 +/- 0.61   0.043% *  0.2891% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   31  10.75 +/- 0.59   0.030% *  0.3187% (0.80   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   31   9.58 +/- 0.27   0.059% *  0.1494% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD1   LEU   31  13.97 +/- 0.56   0.006% *  0.3570% (0.90   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   31  14.94 +/- 0.41   0.004% *  0.1494% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   31  19.65 +/- 0.34   0.001% *  0.3945% (0.99   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   31  18.54 +/- 0.75   0.001% *  0.2575% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 232.2:
    * O T HB3   LEU   31 - QD1   LEU   31   2.04 +/- 0.07  99.902% * 98.6843% (1.00   4.87 232.22) = 100.000%  kept
          QG1   VAL   24 - QD1   LEU   31   6.75 +/- 0.68   0.089% *  0.1816% (0.45   0.02   0.02) =   0.000%
          QB    ALA   20 - QD1   LEU   31  10.65 +/- 0.19   0.005% *  0.2621% (0.65   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD1   LEU   31  16.30 +/- 0.57   0.000% *  0.4042% (1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD1   LEU   31  12.65 +/- 0.37   0.002% *  0.0710% (0.18   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   LEU   31  12.97 +/- 0.29   0.002% *  0.0548% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   LEU   31  18.12 +/- 0.65   0.000% *  0.1126% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD1   LEU   31  21.43 +/- 0.98   0.000% *  0.2294% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 251 (0.79, 0.00, 23.44 ppm):
    5 chemical-shift based assignments, quality = 0.801, support = 4.96, residual support = 232.2:
    * O T HG    LEU   31 - QD1   LEU   31   2.10 +/- 0.02  97.584% * 98.6404% (0.80   4.96 232.22) =  99.996%  kept
          QG1   VAL   41 - QD1   LEU   31   4.43 +/- 0.58   2.039% *  0.1239% (0.25   0.02   0.02) =   0.003%
          QD2   LEU   73 - QD1   LEU   31   5.62 +/- 0.61   0.376% *  0.4587% (0.92   0.02   3.24) =   0.002%
          QD1   ILE   56 - QD1   LEU   31  15.04 +/- 0.32   0.001% *  0.4958% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD1   LEU   31  17.09 +/- 0.84   0.000% *  0.2813% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 232.2:
    * O T QD2   LEU   31 - QD1   LEU   31   2.07 +/- 0.04  97.546% * 99.3876% (1.00   4.62 232.22) =  99.995%  kept
          QG2   VAL   83 - QD1   LEU   31   4.44 +/- 0.52   1.301% *  0.3123% (0.73   0.02   0.02) =   0.004%
        T QG2   VAL   43 - QD1   LEU   31   4.46 +/- 0.39   1.123% *  0.1072% (0.25   0.02   0.02) =   0.001%
          QD1   ILE   89 - QD1   LEU   31   7.99 +/- 0.20   0.030% *  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 = 232.2:
    *   T HA    LEU   31 - QD2   LEU   31   2.19 +/- 0.58  99.758% * 99.9763% (1.00   5.72 232.22) = 100.000%  kept
        T HA    LEU   31 - QG2   VAL   43   7.14 +/- 0.23   0.242% *  0.0237% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 2 structures by 0.07 A, kept.
 
    Peak 255 (1.33, 0.07, 21.81 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 232.2:
    * O T HB2   LEU   31 - QD2   LEU   31   2.91 +/- 0.39  90.394% * 97.2562% (1.00   5.76 232.22) =  99.995%  kept
          HG    LEU   98 - QD2   LEU   31   6.72 +/- 0.88   1.033% *  0.1776% (0.53   0.02   0.02) =   0.002%
          HB3   LEU   80 - QD2   LEU   31   8.50 +/- 0.62   0.161% *  0.3258% (0.97   0.02   0.02) =   0.001%
          HB3   ASP-  44 - QG2   VAL   43   5.47 +/- 0.25   2.501% *  0.0183% (0.05   0.02  15.35) =   0.001%
          HB3   ASP-  44 - QD2   LEU   31   9.69 +/- 0.52   0.087% *  0.2703% (0.80   0.02   0.02) =   0.000%
        T QB    ALA   84 - QD2   LEU   31   8.64 +/- 0.42   0.150% *  0.1388% (0.41   0.02   0.02) =   0.000%
          HG    LEU   98 - QG2   VAL   43   5.99 +/- 0.87   1.663% *  0.0120% (0.04   0.02   0.02) =   0.000%
          QB    ALA   84 - QG2   VAL   43   5.64 +/- 0.28   2.085% *  0.0094% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   80 - QG2   VAL   43   6.87 +/- 0.98   0.849% *  0.0220% (0.07   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   31  10.56 +/- 0.90   0.062% *  0.2819% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   31  10.31 +/- 0.61   0.063% *  0.2451% (0.73   0.02   0.02) =   0.000%
        T HB2   LEU   31 - QG2   VAL   43   7.64 +/- 0.41   0.318% *  0.0228% (0.07   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   31  10.61 +/- 0.39   0.044% *  0.1267% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD2   LEU   31  12.68 +/- 0.46   0.017% *  0.3027% (0.90   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   43   7.61 +/- 0.50   0.344% *  0.0086% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   63 - QG2   VAL   43   9.89 +/- 0.43   0.071% *  0.0205% (0.06   0.02   0.02) =   0.000%
          HB3   PRO   93 - QG2   VAL   43   9.24 +/- 0.56   0.108% *  0.0086% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   31  14.38 +/- 0.45   0.007% *  0.1267% (0.38   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   31  17.84 +/- 0.95   0.002% *  0.2184% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   VAL   43  11.89 +/- 0.51   0.024% *  0.0191% (0.06   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   31  19.66 +/- 0.29   0.001% *  0.3346% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QG2   VAL   43  14.66 +/- 0.37   0.007% *  0.0226% (0.07   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   VAL   43  14.19 +/- 0.43   0.008% *  0.0166% (0.05   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   VAL   43  16.92 +/- 0.57   0.003% *  0.0148% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 232.2:
    * O T HB3   LEU   31 - QD2   LEU   31   2.85 +/- 0.14  98.226% * 98.7876% (1.00   5.76 232.22) =  99.999%  kept
          QG1   VAL   24 - QD2   LEU   31   7.07 +/- 0.55   0.540% *  0.1538% (0.45   0.02   0.02) =   0.001%
          QB    ALA   20 - QD2   LEU   31   9.00 +/- 0.25   0.108% *  0.2219% (0.65   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG2   VAL   43   7.38 +/- 0.38   0.349% *  0.0232% (0.07   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   VAL   43   7.60 +/- 0.83   0.335% *  0.0104% (0.03   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   43   8.26 +/- 0.27   0.177% *  0.0150% (0.04   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   31  15.39 +/- 0.75   0.004% *  0.3422% (1.00   0.02   0.02) =   0.000%
          QG1   VAL  107 - QD2   LEU   31  12.53 +/- 0.35   0.014% *  0.0601% (0.18   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   31  12.77 +/- 0.27   0.012% *  0.0464% (0.14   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   43  12.15 +/- 0.58   0.017% *  0.0232% (0.07   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   VAL   43   9.13 +/- 0.23   0.094% *  0.0041% (0.01   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   43   8.86 +/- 0.26   0.114% *  0.0031% (0.01   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD2   LEU   31  18.02 +/- 0.55   0.002% *  0.0954% (0.28   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QD2   LEU   31  20.58 +/- 1.05   0.001% *  0.1942% (0.57   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG2   VAL   43  16.24 +/- 0.87   0.003% *  0.0131% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   43  15.58 +/- 0.43   0.004% *  0.0065% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 257 (0.79, 0.07, 21.81 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 232.2:
    * O T HG    LEU   31 - QD2   LEU   31   2.12 +/- 0.01  89.005% * 98.7462% (0.80   5.85 232.22) =  99.982%  kept
          QD2   LEU   73 - QD2   LEU   31   3.88 +/- 0.35   2.800% *  0.3890% (0.92   0.02   3.24) =   0.012%
          QG1   VAL   41 - QD2   LEU   31   3.89 +/- 0.57   3.102% *  0.1051% (0.25   0.02   0.02) =   0.004%
          QD2   LEU   73 - QG2   VAL   43   4.54 +/- 1.08   4.703% *  0.0263% (0.06   0.02   8.15) =   0.001%
        T HG    LEU   31 - QG2   VAL   43   5.95 +/- 0.43   0.205% *  0.0228% (0.05   0.02   0.02) =   0.000%
          QG1   VAL   41 - QG2   VAL   43   6.09 +/- 0.38   0.176% *  0.0071% (0.02   0.02   1.72) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  14.45 +/- 0.20   0.001% *  0.4204% (1.00   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.52 +/- 0.29   0.006% *  0.0285% (0.07   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QD2   LEU   31  17.04 +/- 0.56   0.000% *  0.2385% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - QG2   VAL   43  14.73 +/- 0.52   0.001% *  0.0161% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.56 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 = 232.2:
    * O T QD1   LEU   31 - QD2   LEU   31   2.07 +/- 0.04  98.864% * 99.9707% (1.00   4.62 232.22) = 100.000%  kept
        T QD1   LEU   31 - QG2   VAL   43   4.46 +/- 0.39   1.136% *  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 = 0.679, support = 3.02, residual support = 41.1:
    * O T QB    GLN   32 - HA    GLN   32   2.34 +/- 0.10  81.817% * 35.1318% (0.69   2.96  43.12) =  93.344%  kept
        T QB    GLN   32 - HA    LYS+  33   4.24 +/- 0.30   2.727% * 60.1304% (0.71   4.92  15.31) =   5.325%  kept
        T QB    GLN   32 - HA    GLU-  29   3.16 +/- 0.28  15.421% *  2.6587% (0.45   0.34   0.02) =   1.331%
          HB    VAL   24 - HA    GLU-  29   9.90 +/- 0.37   0.015% *  0.1533% (0.44   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    GLN   32  13.19 +/- 0.33   0.003% *  0.2355% (0.68   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLN   32  13.26 +/- 1.27   0.003% *  0.1903% (0.55   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    LYS+  33  13.44 +/- 1.20   0.003% *  0.1958% (0.57   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    LYS+  33  13.01 +/- 2.34   0.006% *  0.0377% (0.11   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    LYS+  33  16.08 +/- 0.26   0.001% *  0.2424% (0.70   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    LYS+  33  17.21 +/- 0.72   0.001% *  0.2257% (0.65   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLU-  29  14.35 +/- 2.39   0.003% *  0.0239% (0.07   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  29  18.21 +/- 1.20   0.000% *  0.1238% (0.36   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLN   32  20.37 +/- 0.54   0.000% *  0.2193% (0.63   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    GLN   32  16.47 +/- 2.34   0.001% *  0.0367% (0.11   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    GLU-  29  21.73 +/- 0.99   0.000% *  0.1427% (0.41   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    LYS+  33  27.88 +/- 0.39   0.000% *  0.0484% (0.14   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLN   32  28.24 +/- 0.90   0.000% *  0.0470% (0.14   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLN   32  28.67 +/- 0.35   0.000% *  0.0470% (0.14   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    GLU-  29  26.87 +/- 1.01   0.000% *  0.0306% (0.09   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    LYS+  33  29.21 +/- 0.94   0.000% *  0.0484% (0.14   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HA    GLU-  29  28.29 +/- 0.30   0.000% *  0.0306% (0.09   0.02   0.02) =   0.000%
    Distance limit 2.78 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 = 0.679, support = 3.43, residual support = 33.3:
    * O T QG    GLN   32 - HA    GLN   32   2.72 +/- 0.41  64.280% * 38.4096% (0.69   3.12  43.12) =  65.978%  kept
        T QG    GLN   32 - HA    LYS+  33   4.36 +/- 1.22  21.996% * 54.3626% (0.71   4.30  15.31) =  31.954%  kept
        T QG    GLN   32 - HA    GLU-  29   3.99 +/- 0.97  13.704% *  5.6489% (0.45   0.71   0.02) =   2.069%
          QG    GLU-  79 - HA    GLU-  29  13.46 +/- 0.90   0.006% *  0.1389% (0.39   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLN   32  13.21 +/- 1.17   0.006% *  0.0684% (0.19   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN   32  16.93 +/- 0.92   0.001% *  0.2134% (0.60   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    LYS+  33  14.10 +/- 1.06   0.004% *  0.0704% (0.20   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  33  18.45 +/- 0.88   0.001% *  0.2196% (0.61   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLN   32  22.46 +/- 0.30   0.000% *  0.1492% (0.42   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLU-  29  18.49 +/- 1.00   0.001% *  0.0445% (0.12   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLN   32  19.44 +/- 0.25   0.001% *  0.0548% (0.15   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    LYS+  33  23.20 +/- 0.28   0.000% *  0.1535% (0.43   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    GLU-  29  18.29 +/- 0.29   0.001% *  0.0356% (0.10   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    LYS+  33  21.07 +/- 0.22   0.000% *  0.0564% (0.16   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  29  23.65 +/- 0.29   0.000% *  0.0971% (0.27   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    LYS+  33  26.15 +/- 0.81   0.000% *  0.0564% (0.16   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLN   32  26.52 +/- 0.64   0.000% *  0.0548% (0.15   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    GLU-  29  26.49 +/- 0.67   0.000% *  0.0356% (0.10   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    LYS+  33  30.44 +/- 0.44   0.000% *  0.0501% (0.14   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLN   32  30.64 +/- 0.40   0.000% *  0.0487% (0.14   0.02   0.02) =   0.000%
        T HB2   GLN  116 - HA    GLU-  29  31.88 +/- 0.35   0.000% *  0.0317% (0.09   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 0.697, support = 3.0, residual support = 40.4:
    * O T HA    GLN   32 - QB    GLN   32   2.34 +/- 0.10  81.841% * 32.7793% (0.69   2.96  43.12) =  91.719%  kept
        T HA    LYS+  33 - QB    GLN   32   4.24 +/- 0.30   2.728% * 60.6560% (0.76   4.92  15.31) =   5.657%  kept
        T HA    GLU-  29 - QB    GLN   32   3.16 +/- 0.28  15.426% *  4.9765% (0.90   0.34   0.02) =   2.625%  kept
          HA    VAL   18 - QB    GLN   32  14.50 +/- 0.45   0.001% *  0.2979% (0.92   0.02   0.02) =   0.000%
          HA    VAL   70 - QB    GLN   32  13.35 +/- 0.34   0.002% *  0.1447% (0.45   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    GLN   32  16.11 +/- 0.84   0.001% *  0.3115% (0.97   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    GLN   32  19.58 +/- 0.47   0.000% *  0.2344% (0.73   0.02   0.02) =   0.000%
          HA    SER   48 - QB    GLN   32  22.43 +/- 0.64   0.000% *  0.2979% (0.92   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    GLN   32  25.43 +/- 0.48   0.000% *  0.1571% (0.49   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    GLN   32  26.56 +/- 0.35   0.000% *  0.1447% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 3.26, residual support = 43.1:
    * O T QG    GLN   32 - QB    GLN   32   2.08 +/- 0.04  99.997% * 98.5507% (1.00   3.26  43.12) = 100.000%  kept
          QG    GLU-  79 - QB    GLN   32  14.42 +/- 0.89   0.001% *  0.5249% (0.87   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QB    GLN   32  13.99 +/- 1.03   0.001% *  0.1682% (0.28   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLN   32  17.73 +/- 0.36   0.000% *  0.1347% (0.22   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLN   32  21.25 +/- 0.26   0.000% *  0.3670% (0.61   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLN   32  24.30 +/- 0.62   0.000% *  0.1347% (0.22   0.02   0.02) =   0.000%
          HB2   GLN  116 - QB    GLN   32  28.52 +/- 0.33   0.000% *  0.1198% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.67 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 = 0.721, support = 3.41, residual support = 32.2:
    * O T HA    GLN   32 - QG    GLN   32   2.72 +/- 0.41  64.286% * 34.8300% (0.69   3.12  43.12) =  63.030%  kept
        T HA    LYS+  33 - QG    GLN   32   4.36 +/- 1.22  22.000% * 53.2959% (0.76   4.30  15.31) =  33.006%  kept
        T HA    GLU-  29 - QG    GLN   32   3.99 +/- 0.97  13.704% * 10.2762% (0.90   0.71   0.02) =   3.964%  kept
          HA    VAL   18 - QG    GLN   32  15.12 +/- 0.49   0.002% *  0.2997% (0.92   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    GLN   32  13.67 +/- 0.60   0.005% *  0.1456% (0.45   0.02   0.02) =   0.000%
          HB2   SER   82 - QG    GLN   32  16.46 +/- 1.84   0.001% *  0.3134% (0.97   0.02   0.02) =   0.000%
          HA    ALA   88 - QG    GLN   32  19.90 +/- 1.41   0.000% *  0.2358% (0.73   0.02   0.02) =   0.000%
          HA    SER   48 - QG    GLN   32  23.06 +/- 1.32   0.000% *  0.2997% (0.92   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG    GLN   32  26.01 +/- 1.07   0.000% *  0.1581% (0.49   0.02   0.02) =   0.000%
        T HA    GLN  116 - QG    GLN   32  27.00 +/- 0.55   0.000% *  0.1456% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 3.26, residual support = 43.1:
    * O T QB    GLN   32 - QG    GLN   32   2.08 +/- 0.04  99.992% * 98.0346% (1.00   3.26  43.12) = 100.000%  kept
          HB    VAL   24 - QG    GLN   32  11.51 +/- 1.58   0.005% *  0.5966% (0.99   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QG    GLN   32  13.98 +/- 1.23   0.001% *  0.4820% (0.80   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG    GLN   32  14.36 +/- 2.42   0.002% *  0.0929% (0.15   0.02   0.02) =   0.000%
          HB2   PRO   68 - QG    GLN   32  19.10 +/- 1.07   0.000% *  0.5557% (0.92   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG    GLN   32  26.09 +/- 1.26   0.000% *  0.1191% (0.20   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG    GLN   32  26.67 +/- 0.52   0.000% *  0.1191% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.75 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 = 6.56, residual support = 157.8:
    * O T QB    LYS+  33 - HA    LYS+  33   2.19 +/- 0.04  98.793% * 95.9762% (1.00   6.56 157.76) =  99.999%  kept
        T QB    LYS+  33 - HA    GLN   32   5.31 +/- 0.20   0.495% *  0.0753% (0.26   0.02  15.31) =   0.000%
        T QB    LYS+  33 - HA    GLU-  29   5.82 +/- 0.56   0.329% *  0.0817% (0.28   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU-  29   5.99 +/- 0.20   0.247% *  0.0204% (0.07   0.02  18.43) =   0.000%
          HB3   GLN   30 - HA    LYS+  33   7.72 +/- 0.31   0.054% *  0.0730% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  33  10.01 +/- 0.32   0.011% *  0.1204% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   32   7.57 +/- 0.11   0.060% *  0.0188% (0.06   0.02   1.58) =   0.000%
          HB3   LYS+  38 - HA    GLN   32  10.90 +/- 0.30   0.007% *  0.0310% (0.11   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+  33  18.11 +/- 0.53   0.000% *  0.2703% (0.92   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  33  19.35 +/- 0.37   0.000% *  0.2770% (0.95   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  33  20.21 +/- 0.28   0.000% *  0.2770% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  33  20.71 +/- 0.39   0.000% *  0.2870% (0.98   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    GLU-  29  17.13 +/- 0.49   0.000% *  0.0789% (0.27   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   32  17.13 +/- 0.50   0.000% *  0.0712% (0.24   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LYS+  33  21.81 +/- 0.51   0.000% *  0.2826% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLU-  29  16.05 +/- 0.30   0.001% *  0.0336% (0.11   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLN   32  18.65 +/- 0.37   0.000% *  0.0712% (0.24   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    GLN   32  19.18 +/- 0.57   0.000% *  0.0727% (0.25   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   32  20.20 +/- 0.52   0.000% *  0.0738% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU-  29  20.52 +/- 0.31   0.000% *  0.0773% (0.26   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU-  29  20.64 +/- 0.40   0.000% *  0.0773% (0.26   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  33  26.69 +/- 1.35   0.000% *  0.2902% (0.99   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   32  21.04 +/- 0.65   0.000% *  0.0695% (0.24   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU-  29  22.83 +/- 0.50   0.000% *  0.0801% (0.27   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU-  29  23.14 +/- 1.64   0.000% *  0.0810% (0.28   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU-  29  22.75 +/- 0.50   0.000% *  0.0755% (0.26   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  33  27.03 +/- 0.32   0.000% *  0.1658% (0.57   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLN   32  23.98 +/- 1.35   0.000% *  0.0746% (0.25   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+  33  30.80 +/- 0.73   0.000% *  0.2826% (0.97   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  33  25.82 +/- 0.84   0.000% *  0.0730% (0.25   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU-  29  26.23 +/- 0.33   0.000% *  0.0463% (0.16   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU-  29  29.08 +/- 1.05   0.000% *  0.0789% (0.27   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   32  26.78 +/- 0.29   0.000% *  0.0426% (0.15   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   32  30.96 +/- 0.80   0.000% *  0.0727% (0.25   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  33  30.92 +/- 0.28   0.000% *  0.0730% (0.25   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  33  28.74 +/- 0.41   0.000% *  0.0452% (0.15   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLN   32  27.19 +/- 0.78   0.000% *  0.0188% (0.06   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  29  26.38 +/- 0.58   0.000% *  0.0126% (0.04   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLU-  29  28.98 +/- 0.39   0.000% *  0.0204% (0.07   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    GLU-  29  29.14 +/- 0.68   0.000% *  0.0204% (0.07   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLN   32  27.05 +/- 0.44   0.000% *  0.0116% (0.04   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    GLN   32  30.10 +/- 0.30   0.000% *  0.0188% (0.06   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 272 (1.38, 4.01, 59.34 ppm):
    45 chemical-shift based assignments, quality = 1.0, support = 6.35, residual support = 157.8:
    * O T HG3   LYS+  33 - HA    LYS+  33   3.07 +/- 0.19  94.003% * 96.0173% (1.00   6.35 157.76) =  99.994%  kept
        T HG3   LYS+  33 - HA    GLU-  29   7.55 +/- 1.88   3.010% *  0.0844% (0.28   0.02   0.02) =   0.003%
        T HG3   LYS+  33 - HA    GLN   32   6.30 +/- 0.85   2.471% *  0.0777% (0.26   0.02  15.31) =   0.002%
          HB3   LEU   73 - HA    LYS+  33  11.38 +/- 0.27   0.038% *  0.2918% (0.97   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  33  12.98 +/- 3.33   0.041% *  0.2421% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLU-  29   9.85 +/- 0.27   0.093% *  0.0815% (0.27   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  33  11.83 +/- 0.31   0.030% *  0.1591% (0.53   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    GLN   32  11.39 +/- 0.28   0.039% *  0.0750% (0.25   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  33  14.30 +/- 0.36   0.010% *  0.2996% (0.99   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLN   32  10.29 +/- 0.46   0.070% *  0.0409% (0.14   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLU-  29  14.15 +/- 3.42   0.032% *  0.0676% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+  33  17.78 +/- 1.24   0.003% *  0.2860% (0.95   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    GLU-  29  13.47 +/- 0.45   0.014% *  0.0444% (0.15   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLN   32  14.92 +/- 0.39   0.007% *  0.0771% (0.25   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    GLN   32  16.13 +/- 3.36   0.009% *  0.0623% (0.21   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  33  14.22 +/- 0.85   0.011% *  0.0466% (0.15   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLN   32  15.63 +/- 1.32   0.006% *  0.0735% (0.24   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    GLU-  29  16.17 +/- 0.46   0.005% *  0.0837% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  33  16.42 +/- 0.36   0.004% *  0.0841% (0.28   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLN   32  12.30 +/- 1.02   0.027% *  0.0120% (0.04   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+  33  21.26 +/- 0.87   0.001% *  0.2996% (0.99   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLU-  29  12.61 +/- 0.35   0.020% *  0.0130% (0.04   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  33  21.25 +/- 0.81   0.001% *  0.2421% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLU-  29  14.48 +/- 0.35   0.009% *  0.0235% (0.08   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  33  17.68 +/- 0.38   0.003% *  0.0673% (0.22   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLU-  29  14.35 +/- 0.33   0.009% *  0.0188% (0.06   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  33  17.82 +/- 0.65   0.003% *  0.0466% (0.15   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    GLN   32  15.49 +/- 0.36   0.006% *  0.0173% (0.06   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU-  29  15.20 +/- 1.04   0.008% *  0.0130% (0.04   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    GLU-  29  20.44 +/- 1.16   0.001% *  0.0798% (0.26   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLN   32  19.65 +/- 0.90   0.001% *  0.0623% (0.21   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    GLN   32  15.11 +/- 0.56   0.007% *  0.0120% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    GLN   32  16.80 +/- 0.28   0.004% *  0.0216% (0.07   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    GLU-  29  22.26 +/- 0.97   0.001% *  0.0676% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLU-  29  22.99 +/- 0.71   0.001% *  0.0837% (0.28   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    GLN   32  23.64 +/- 0.80   0.000% *  0.0771% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LYS+  33  24.19 +/- 1.35   0.000% *  0.0754% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  33  24.94 +/- 0.63   0.000% *  0.0754% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  33  32.23 +/- 0.38   0.000% *  0.2711% (0.90   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLU-  29  23.63 +/- 0.67   0.000% *  0.0210% (0.07   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLN   32  24.18 +/- 1.35   0.000% *  0.0194% (0.06   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    GLN   32  24.18 +/- 0.55   0.000% *  0.0194% (0.06   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLU-  29  32.48 +/- 0.41   0.000% *  0.0757% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    GLN   32  32.18 +/- 0.30   0.000% *  0.0697% (0.23   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    GLU-  29  27.29 +/- 1.10   0.000% *  0.0210% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 1 structures by 0.02 A, kept.
 
    Peak 273 (1.63, 4.01, 59.34 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.11, residual support = 157.8:
    *   T QD    LYS+  33 - HA    LYS+  33   3.55 +/- 0.45  96.664% * 97.7206% (1.00   5.11 157.76) =  99.996%  kept
        T QD    LYS+  33 - HA    GLU-  29   7.15 +/- 1.34   1.839% *  0.1068% (0.28   0.02   0.02) =   0.002%
        T QD    LYS+  33 - HA    GLN   32   7.16 +/- 0.77   1.463% *  0.0984% (0.26   0.02  15.31) =   0.002%
          HD2   LYS+  74 - HA    LYS+  33  18.50 +/- 0.39   0.006% *  0.2166% (0.57   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  33  21.79 +/- 0.30   0.002% *  0.3319% (0.87   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLU-  29  16.68 +/- 0.43   0.011% *  0.0605% (0.16   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    GLN   32  18.47 +/- 0.49   0.006% *  0.0557% (0.15   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  33  26.22 +/- 0.97   0.001% *  0.3826% (1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLU-  29  21.09 +/- 0.39   0.003% *  0.0927% (0.24   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    GLN   32  22.34 +/- 0.33   0.002% *  0.0854% (0.22   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  33  32.90 +/- 0.85   0.000% *  0.3432% (0.90   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLN   32  27.73 +/- 1.03   0.001% *  0.0984% (0.26   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    GLU-  29  30.01 +/- 0.94   0.000% *  0.1068% (0.28   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLN   32  31.83 +/- 0.93   0.000% *  0.0883% (0.23   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    GLU-  29  32.57 +/- 1.04   0.000% *  0.0958% (0.25   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LYS+  33  31.66 +/- 0.97   0.000% *  0.0757% (0.20   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLU-  29  29.96 +/- 1.08   0.000% *  0.0211% (0.06   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    GLN   32  31.83 +/- 0.92   0.000% *  0.0195% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.09 A, kept.
 
    Peak 274 (2.92, 4.01, 59.34 ppm):
    24 chemical-shift based assignments, quality = 0.918, support = 5.46, residual support = 144.3:
    *   T QE    LYS+  33 - HA    LYS+  33   3.53 +/- 0.92  24.508% * 94.6727% (1.00   5.78 157.76) =  91.056%  kept
        T HB2   ASN   35 - HA    GLN   32   2.52 +/- 0.34  71.010% *  3.2038% (0.09   2.23   6.86) =   8.928%  kept
        T HB2   ASN   28 - HA    GLU-  29   4.29 +/- 0.22   2.641% *  0.0896% (0.27   0.02  30.42) =   0.009%
        T HB2   ASN   35 - HA    LYS+  33   5.34 +/- 0.22   0.671% *  0.1117% (0.34   0.02   0.79) =   0.003%
        T QE    LYS+  33 - HA    GLU-  29   6.48 +/- 1.85   0.489% *  0.0914% (0.28   0.02   0.02) =   0.002%
        T QE    LYS+  33 - HA    GLN   32   6.47 +/- 1.64   0.519% *  0.0842% (0.26   0.02  15.31) =   0.002%
        T HB2   ASN   28 - HA    GLN   32   7.61 +/- 0.37   0.085% *  0.0825% (0.25   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LYS+  33  10.52 +/- 0.33   0.012% *  0.3210% (0.98   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    GLU-  29   8.11 +/- 0.33   0.056% *  0.0312% (0.10   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    LYS+  33  13.90 +/- 0.80   0.002% *  0.0505% (0.15   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+  33  19.75 +/- 1.37   0.000% *  0.2937% (0.90   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  33  18.73 +/- 0.60   0.000% *  0.2249% (0.69   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  29  15.20 +/- 0.41   0.001% *  0.0628% (0.19   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLN   32  15.02 +/- 0.61   0.001% *  0.0578% (0.18   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLU-  29  16.54 +/- 0.55   0.001% *  0.0204% (0.06   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLU-  29  21.19 +/- 1.22   0.000% *  0.0820% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  29  20.14 +/- 0.57   0.000% *  0.0591% (0.18   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  33  25.05 +/- 0.47   0.000% *  0.2118% (0.65   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  33  21.04 +/- 0.53   0.000% *  0.0729% (0.22   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    GLN   32  22.04 +/- 1.31   0.000% *  0.0755% (0.23   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLN   32  16.98 +/- 0.92   0.001% *  0.0130% (0.04   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLN   32  23.46 +/- 0.54   0.000% *  0.0545% (0.17   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    GLN   32  19.84 +/- 0.53   0.000% *  0.0187% (0.06   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  29  19.49 +/- 0.64   0.000% *  0.0141% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 6.56, residual support = 157.8:
    * O T HA    LYS+  33 - QB    LYS+  33   2.19 +/- 0.04  97.939% * 98.1930% (1.00   6.56 157.76) =  99.998%  kept
        T HA    GLU-  29 - QB    LYS+  33   5.82 +/- 0.56   0.327% *  0.2891% (0.97   0.02   0.02) =   0.001%
          HB2   SER   37 - QB    LYS+  33   5.30 +/- 0.97   1.220% *  0.0667% (0.22   0.02   0.02) =   0.001%
        T HA    GLN   32 - QB    LYS+  33   5.31 +/- 0.20   0.491% *  0.0833% (0.28   0.02  15.31) =   0.000%
          HA    VAL   70 - QB    LYS+  33   9.60 +/- 0.63   0.016% *  0.2598% (0.87   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  33  11.08 +/- 0.46   0.006% *  0.2834% (0.95   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    LYS+  33  18.62 +/- 0.87   0.000% *  0.2686% (0.90   0.02   0.02) =   0.000%
          HA    SER   48 - QB    LYS+  33  21.79 +/- 0.55   0.000% *  0.1576% (0.53   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    LYS+  33  23.80 +/- 0.51   0.000% *  0.2598% (0.87   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  33  20.81 +/- 0.42   0.000% *  0.0925% (0.31   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    LYS+  33  24.20 +/- 0.31   0.000% *  0.0462% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 276 (1.86, 1.86, 32.27 ppm):
    1 diagonal assignment:
    *     QB    LYS+  33 - QB    LYS+  33  (1.00)  kept
 
    Peak 278 (1.38, 1.86, 32.27 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 6.2, residual support = 157.8:
    * O T HG3   LYS+  33 - QB    LYS+  33   2.50 +/- 0.07  99.817% * 97.4155% (1.00   6.20 157.76) = 100.000%  kept
          HB3   LEU   73 - QB    LYS+  33   8.28 +/- 0.28   0.078% *  0.3032% (0.97   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+  33  10.46 +/- 2.77   0.054% *  0.2516% (0.80   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+  33  11.52 +/- 0.45   0.011% *  0.3114% (0.99   0.02   0.02) =   0.000%
        T QB    LEU   98 - QB    LYS+  33  10.50 +/- 0.39   0.019% *  0.1653% (0.53   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+  33  12.66 +/- 0.35   0.006% *  0.0874% (0.28   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QB    LYS+  33  16.58 +/- 1.09   0.001% *  0.2972% (0.95   0.02   0.02) =   0.000%
          HG    LEU   98 - QB    LYS+  33  12.40 +/- 0.77   0.007% *  0.0485% (0.15   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+  33  17.20 +/- 0.81   0.001% *  0.3114% (0.99   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+  33  14.82 +/- 0.44   0.002% *  0.0700% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QB    LYS+  33  18.52 +/- 0.87   0.001% *  0.2516% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  33  14.79 +/- 0.76   0.003% *  0.0485% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+  33  20.74 +/- 0.61   0.000% *  0.0783% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+  33  21.17 +/- 1.08   0.000% *  0.0783% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+  33  27.36 +/- 0.47   0.000% *  0.2818% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 157.8:
    * O T QD    LYS+  33 - QB    LYS+  33   2.25 +/- 0.20  99.998% * 98.6273% (1.00   5.07 157.76) = 100.000%  kept
        T HD2   LYS+  74 - QB    LYS+  33  14.63 +/- 0.38   0.001% *  0.2203% (0.57   0.02   0.02) =   0.000%
          QB    ALA   57 - QB    LYS+  33  17.86 +/- 0.30   0.000% *  0.3375% (0.87   0.02   0.02) =   0.000%
        T HB3   LEU  123 - QB    LYS+  33  22.59 +/- 0.90   0.000% *  0.3891% (1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  33  28.23 +/- 0.78   0.000% *  0.3489% (0.90   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - QB    LYS+  33  26.36 +/- 0.90   0.000% *  0.0770% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 157.8:
    *   T QE    LYS+  33 - QB    LYS+  33   2.58 +/- 0.65  98.688% * 98.6258% (1.00   5.64 157.76) =  99.998%  kept
          HB2   ASN   35 - QB    LYS+  33   5.99 +/- 0.25   1.160% *  0.1193% (0.34   0.02   0.79) =   0.001%
          HB2   ASN   28 - QB    LYS+  33   8.86 +/- 0.57   0.121% *  0.3428% (0.98   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QB    LYS+  33  16.00 +/- 1.13   0.005% *  0.3137% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   69 - QB    LYS+  33  11.96 +/- 0.66   0.020% *  0.0540% (0.15   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  33  16.26 +/- 0.56   0.003% *  0.2403% (0.69   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  33  17.05 +/- 0.50   0.002% *  0.0779% (0.22   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  33  20.72 +/- 0.50   0.001% *  0.2263% (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 = 6.35, residual support = 157.7:
    * O T HA    LYS+  33 - HG3   LYS+  33   3.07 +/- 0.19  74.753% * 94.0572% (1.00   6.35 157.76) =  99.966%  kept
          HB2   SER   37 - HG3   LYS+  33   4.85 +/- 1.83  19.530% *  0.0659% (0.22   0.02   0.02) =   0.018%
        T HA    GLU-  29 - HG3   LYS+  33   7.55 +/- 1.88   2.952% *  0.2858% (0.97   0.02   0.02) =   0.012%
        T HA    GLN   32 - HG3   LYS+  33   6.30 +/- 0.85   2.325% *  0.0823% (0.28   0.02  15.31) =   0.003%
          HA    VAL   18 - HG3   LYS+  65   8.26 +/- 0.62   0.227% *  0.2419% (0.82   0.02   0.02) =   0.001%
          HA    VAL   70 - HG3   LYS+  33   9.80 +/- 1.51   0.092% *  0.2569% (0.87   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+  33  12.34 +/- 0.66   0.021% *  0.2801% (0.95   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+  65  13.15 +/- 0.73   0.014% *  0.2218% (0.75   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  65  14.63 +/- 0.87   0.008% *  0.2218% (0.75   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  12.04 +/- 0.89   0.026% *  0.0581% (0.20   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 106  14.07 +/- 0.39   0.009% *  0.1632% (0.55   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 106  15.23 +/- 0.66   0.006% *  0.1632% (0.55   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   LYS+ 102  15.54 +/- 1.08   0.005% *  0.1276% (0.43   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 106  17.54 +/- 0.85   0.002% *  0.1780% (0.60   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 102  17.78 +/- 1.24   0.002% *  0.1471% (0.50   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  33  21.53 +/- 1.54   0.001% *  0.2656% (0.90   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 102  15.63 +/- 1.32   0.005% *  0.0409% (0.14   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+  65  21.26 +/- 0.87   0.001% *  0.2557% (0.86   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   LYS+ 106  21.25 +/- 0.81   0.001% *  0.1882% (0.64   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 106  20.98 +/- 0.94   0.001% *  0.1688% (0.57   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 102  16.12 +/- 1.37   0.004% *  0.0328% (0.11   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 102  20.44 +/- 1.16   0.001% *  0.1420% (0.48   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  20.32 +/- 0.82   0.001% *  0.1345% (0.45   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+  65  22.99 +/- 0.71   0.000% *  0.2468% (0.83   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   LYS+ 106  22.26 +/- 0.97   0.001% *  0.1816% (0.61   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  17.50 +/- 0.78   0.002% *  0.0454% (0.15   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   LYS+ 102  21.77 +/- 1.06   0.001% *  0.1392% (0.47   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+  65  19.16 +/- 0.94   0.001% *  0.0569% (0.19   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  19.65 +/- 0.90   0.001% *  0.0523% (0.18   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+ 102  22.86 +/- 1.20   0.000% *  0.1276% (0.43   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  18.90 +/- 0.76   0.002% *  0.0395% (0.13   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   LYS+  33  26.04 +/- 0.97   0.000% *  0.2569% (0.87   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  24.87 +/- 1.18   0.000% *  0.1558% (0.53   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+ 102  23.43 +/- 0.85   0.000% *  0.1319% (0.45   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  22.69 +/- 0.89   0.001% *  0.0990% (0.33   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   LYS+ 106  19.65 +/- 0.79   0.001% *  0.0419% (0.14   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  23.44 +/- 0.77   0.000% *  0.0914% (0.31   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  19.48 +/- 0.62   0.001% *  0.0290% (0.10   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  23.64 +/- 0.80   0.000% *  0.0711% (0.24   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   LYS+  65  28.83 +/- 0.44   0.000% *  0.2293% (0.77   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  26.73 +/- 0.61   0.000% *  0.0789% (0.27   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  27.24 +/- 0.66   0.000% *  0.0457% (0.15   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  30.02 +/- 0.69   0.000% *  0.0774% (0.26   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  28.76 +/- 0.85   0.000% *  0.0227% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.848, support = 5.99, residual support = 147.2:
    * O T QB    LYS+  33 - HG3   LYS+  33   2.50 +/- 0.07  46.019% * 61.1141% (1.00   6.20 157.76) =  61.819%  kept
      O T QB    LYS+ 106 - HG3   LYS+ 106   2.45 +/- 0.06  51.789% * 33.5350% (0.60   5.66 130.11) =  38.175%  kept
          HB    ILE  103 - HG3   LYS+ 106   4.95 +/- 0.34   0.820% *  0.1185% (0.60   0.02   0.02) =   0.002%
          HB3   ASP- 105 - HG3   LYS+ 106   5.09 +/- 0.17   0.659% *  0.1228% (0.62   0.02  19.68) =   0.002%
          HB    ILE  103 - HG3   LYS+ 102   6.32 +/- 0.86   0.419% *  0.0926% (0.47   0.02  22.69) =   0.001%
          HB3   GLN   30 - HG3   LYS+  33   6.55 +/- 0.99   0.240% *  0.0492% (0.25   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  65  10.72 +/- 1.47   0.011% *  0.1571% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  33  10.40 +/- 1.31   0.012% *  0.0810% (0.41   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+ 102  11.39 +/- 0.93   0.006% *  0.0926% (0.47   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+ 102  12.37 +/- 0.96   0.004% *  0.0960% (0.49   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 102  11.62 +/- 1.71   0.007% *  0.0403% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  33  16.21 +/- 1.66   0.001% *  0.1820% (0.92   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  65  16.19 +/- 0.98   0.001% *  0.1643% (0.83   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  65  14.86 +/- 0.77   0.001% *  0.0964% (0.49   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 106  15.82 +/- 1.13   0.001% *  0.1241% (0.63   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  13.46 +/- 0.80   0.002% *  0.0424% (0.22   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+  65  17.20 +/- 0.81   0.000% *  0.1702% (0.86   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 106  15.10 +/- 0.65   0.001% *  0.0709% (0.36   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  65  17.46 +/- 0.38   0.000% *  0.1668% (0.85   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 102  16.58 +/- 1.09   0.001% *  0.0979% (0.50   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  33  18.89 +/- 0.37   0.000% *  0.1865% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  33  19.37 +/- 0.85   0.000% *  0.1932% (0.98   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  33  19.25 +/- 0.33   0.000% *  0.1865% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 106  18.14 +/- 0.86   0.000% *  0.1209% (0.61   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG3   LYS+  65  18.99 +/- 0.49   0.000% *  0.1610% (0.82   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   LYS+ 106  18.52 +/- 0.87   0.000% *  0.1253% (0.64   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 106  19.79 +/- 2.16   0.000% *  0.1156% (0.59   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  33  21.25 +/- 1.18   0.000% *  0.1902% (0.97   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  15.95 +/- 0.64   0.001% *  0.0312% (0.16   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 106  14.99 +/- 0.82   0.001% *  0.0193% (0.10   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+ 106  17.90 +/- 0.75   0.000% *  0.0515% (0.26   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  65  17.59 +/- 0.78   0.000% *  0.0424% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+ 102  21.66 +/- 2.23   0.000% *  0.0904% (0.46   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 106  17.72 +/- 1.06   0.000% *  0.0312% (0.16   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 106  22.49 +/- 1.04   0.000% *  0.1209% (0.61   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  65  23.79 +/- 0.38   0.000% *  0.1610% (0.82   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  18.44 +/- 0.52   0.000% *  0.0312% (0.16   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+ 102  22.31 +/- 0.63   0.000% *  0.0945% (0.48   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+ 102  18.08 +/- 0.99   0.000% *  0.0244% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  65  24.63 +/- 0.48   0.000% *  0.1643% (0.83   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+ 102  22.85 +/- 1.15   0.000% *  0.0970% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  19.93 +/- 0.83   0.000% *  0.0424% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  33  25.78 +/- 1.25   0.000% *  0.1954% (0.99   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  65  26.22 +/- 0.79   0.000% *  0.1687% (0.86   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   LYS+  65  22.89 +/- 0.75   0.000% *  0.0700% (0.36   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+  33  25.08 +/- 0.44   0.000% *  0.1116% (0.57   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  33  28.69 +/- 0.80   0.000% *  0.1902% (0.97   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  23.92 +/- 1.20   0.000% *  0.0492% (0.25   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  21.89 +/- 1.31   0.000% *  0.0244% (0.12   0.02   0.02) =   0.000%
          HB    ILE   56 - HG3   LYS+ 102  24.91 +/- 0.97   0.000% *  0.0554% (0.28   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  65  22.43 +/- 0.91   0.000% *  0.0263% (0.13   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+ 102  31.81 +/- 1.27   0.000% *  0.0945% (0.48   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  29.09 +/- 0.51   0.000% *  0.0492% (0.25   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+ 102  24.47 +/- 1.17   0.000% *  0.0151% (0.08   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  33  27.25 +/- 0.73   0.000% *  0.0304% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.45 +/- 0.96   0.000% *  0.0244% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 290 (1.38, 1.38, 25.23 ppm):
    4 diagonal assignments:
    *     HG3   LYS+  33 - HG3   LYS+  33  (1.00)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.86)  kept
          HG3   LYS+ 106 - HG3   LYS+ 106  (0.51)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.47)  kept
 
    Peak 291 (1.63, 1.38, 25.23 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 157.8:
    * O T QD    LYS+  33 - HG3   LYS+  33   2.37 +/- 0.16  99.937% * 94.7643% (1.00   4.55 157.76) = 100.000%  kept
          QB    ALA   57 - HG3   LYS+  65   8.84 +/- 0.71   0.044% *  0.3121% (0.75   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  65  12.44 +/- 1.18   0.007% *  0.2037% (0.49   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  65  14.83 +/- 0.76   0.002% *  0.3598% (0.86   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 106  14.49 +/- 0.64   0.002% *  0.2375% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+  65  16.35 +/- 1.67   0.001% *  0.3598% (0.86   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 106  16.31 +/- 0.58   0.001% *  0.2297% (0.55   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+  33  16.68 +/- 0.60   0.001% *  0.2359% (0.57   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 106  15.83 +/- 1.29   0.001% *  0.1499% (0.36   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 106  16.98 +/- 0.92   0.001% *  0.2648% (0.64   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 102  17.92 +/- 1.02   0.001% *  0.2070% (0.50   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+  33  19.96 +/- 0.33   0.000% *  0.3614% (0.87   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 106  19.57 +/- 0.90   0.000% *  0.2648% (0.64   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  65  16.78 +/- 1.48   0.001% *  0.0712% (0.17   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  65  23.08 +/- 1.08   0.000% *  0.3227% (0.77   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  33  24.41 +/- 1.68   0.000% *  0.4167% (1.00   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 102  21.99 +/- 1.19   0.000% *  0.2070% (0.50   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 102  23.44 +/- 0.83   0.000% *  0.1795% (0.43   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 102  22.30 +/- 1.20   0.000% *  0.1172% (0.28   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+ 102  24.94 +/- 1.37   0.000% *  0.1856% (0.45   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   LYS+  33  31.27 +/- 0.96   0.000% *  0.3737% (0.90   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 106  23.11 +/- 1.16   0.000% *  0.0524% (0.13   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+  33  29.55 +/- 1.10   0.000% *  0.0825% (0.20   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HG3   LYS+ 102  32.51 +/- 1.23   0.000% *  0.0410% (0.10   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 292 (2.92, 1.38, 25.23 ppm):
    32 chemical-shift based assignments, quality = 0.886, support = 4.79, residual support = 159.8:
      O T QE    LYS+  65 - HG3   LYS+  65   2.37 +/- 0.48  62.103% * 37.3613% (0.77   4.29 161.77) =  50.715%  kept
    * O T QE    LYS+  33 - HG3   LYS+  33   2.71 +/- 0.60  37.760% * 59.7141% (1.00   5.31 157.76) =  49.285%  kept
          HB2   ASN   35 - HG3   LYS+  33   6.70 +/- 0.29   0.114% *  0.0768% (0.34   0.02   0.79) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33  10.81 +/- 1.66   0.009% *  0.2207% (0.98   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  16.96 +/- 2.00   0.001% *  0.1944% (0.86   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  33  12.34 +/- 2.04   0.004% *  0.0347% (0.15   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  14.36 +/- 0.84   0.001% *  0.0983% (0.44   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  17.65 +/- 1.72   0.000% *  0.2019% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  13.40 +/- 1.34   0.002% *  0.0381% (0.17   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+  65  13.97 +/- 1.17   0.002% *  0.0300% (0.13   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  16.23 +/- 0.84   0.001% *  0.0768% (0.34   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  18.56 +/- 1.12   0.000% *  0.1546% (0.69   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  17.62 +/- 1.38   0.000% *  0.1118% (0.50   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  19.45 +/- 0.83   0.000% *  0.1431% (0.64   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  20.35 +/- 0.93   0.000% *  0.1283% (0.57   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  19.79 +/- 1.14   0.000% *  0.1096% (0.49   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.86 +/- 1.05   0.000% *  0.1402% (0.62   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  18.00 +/- 0.96   0.000% *  0.0488% (0.22   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  24.27 +/- 0.71   0.000% *  0.1906% (0.85   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  33  19.67 +/- 1.34   0.000% *  0.0501% (0.22   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  23.04 +/- 0.72   0.000% *  0.1258% (0.56   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+  65  19.64 +/- 0.60   0.000% *  0.0433% (0.19   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.78 +/- 1.23   0.000% *  0.1456% (0.65   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  22.25 +/- 1.04   0.000% *  0.0925% (0.41   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  23.22 +/- 0.88   0.000% *  0.0663% (0.29   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 106  20.10 +/- 0.93   0.000% *  0.0318% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 106  19.11 +/- 1.12   0.000% *  0.0221% (0.10   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG3   LYS+ 102  18.63 +/- 1.71   0.000% *  0.0173% (0.08   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  25.19 +/- 1.33   0.000% *  0.1003% (0.45   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  26.31 +/- 0.43   0.000% *  0.1335% (0.59   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  28.50 +/- 0.65   0.000% *  0.0723% (0.32   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG3   LYS+ 102  25.76 +/- 0.70   0.000% *  0.0249% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 5.11, residual support = 157.7:
    *   T HA    LYS+  33 - QD    LYS+  33   3.55 +/- 0.45  81.972% * 95.3928% (1.00   5.11 157.76) =  99.972%  kept
          HB2   SER   37 - QD    LYS+  33   5.44 +/- 1.02  14.311% *  0.0832% (0.22   0.02   0.02) =   0.015%
        T HA    GLU-  29 - QD    LYS+  33   7.15 +/- 1.34   1.647% *  0.3605% (0.97   0.02   0.02) =   0.008%
          HA    VAL   70 - QD    LYS+  33   9.35 +/- 1.49   0.501% *  0.3240% (0.87   0.02   0.02) =   0.002%
        T HA    GLN   32 - QD    LYS+  33   7.16 +/- 0.77   1.238% *  0.1039% (0.28   0.02  15.31) =   0.002%
          HA    VAL   18 - QD    LYS+  33  10.68 +/- 1.28   0.192% *  0.3533% (0.95   0.02   0.02) =   0.001%
          HA    GLN  116 - HD3   LYS+ 111  11.52 +/- 0.34   0.084% *  0.2903% (0.78   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  13.93 +/- 1.07   0.034% *  0.0516% (0.14   0.02   0.02) =   0.000%
          HB2   SER   82 - QD    LYS+  33  20.13 +/- 0.94   0.003% *  0.3350% (0.90   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  17.45 +/- 1.03   0.007% *  0.1033% (0.28   0.02   0.02) =   0.000%
          HA    SER   48 - HD3   LYS+ 111  21.08 +/- 1.23   0.003% *  0.1761% (0.47   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   LYS+ 111  23.05 +/- 0.85   0.001% *  0.3166% (0.85   0.02   0.02) =   0.000%
          HA    GLN  116 - QD    LYS+  33  23.85 +/- 1.40   0.001% *  0.3240% (0.87   0.02   0.02) =   0.000%
          HA    SER   48 - QD    LYS+  33  22.26 +/- 0.79   0.002% *  0.1965% (0.53   0.02   0.02) =   0.000%
          HA    VAL   70 - HD3   LYS+ 111  25.26 +/- 0.75   0.001% *  0.2903% (0.78   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  33  22.31 +/- 0.42   0.002% *  0.1153% (0.31   0.02   0.02) =   0.000%
          HB2   SER   82 - HD3   LYS+ 111  26.89 +/- 1.08   0.001% *  0.3002% (0.80   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HD3   LYS+ 111  32.57 +/- 1.04   0.000% *  0.3230% (0.86   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  33  24.63 +/- 0.72   0.001% *  0.0576% (0.15   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HD3   LYS+ 111  32.90 +/- 0.85   0.000% *  0.3347% (0.90   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  31.83 +/- 0.93   0.000% *  0.0931% (0.25   0.02   0.02) =   0.000%
          HB2   SER   37 - HD3   LYS+ 111  31.45 +/- 0.76   0.000% *  0.0745% (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 = 157.8:
    * O T QB    LYS+  33 - QD    LYS+  33   2.25 +/- 0.20  99.751% * 93.6477% (1.00   5.07 157.76) = 100.000%  kept
          HB3   GLN   30 - QD    LYS+  33   6.53 +/- 0.50   0.177% *  0.0921% (0.25   0.02   0.02) =   0.000%
          HB    ILE   56 - HD3   LYS+ 111   9.96 +/- 0.79   0.015% *  0.1874% (0.51   0.02   2.30) =   0.000%
          QB    LYS+ 106 - HD3   LYS+ 111  11.05 +/- 0.60   0.008% *  0.3132% (0.85   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  33  10.81 +/- 0.66   0.011% *  0.1519% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD3   LYS+ 111  10.34 +/- 1.08   0.013% *  0.0825% (0.22   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   LYS+ 111  10.32 +/- 1.31   0.016% *  0.0511% (0.14   0.02   0.02) =   0.000%
        T HG3   PRO   68 - QD    LYS+  33  14.38 +/- 1.74   0.002% *  0.3410% (0.92   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   LYS+ 111  14.83 +/- 0.60   0.001% *  0.3245% (0.88   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HD3   LYS+ 111  15.85 +/- 1.53   0.001% *  0.3195% (0.86   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   LYS+ 111  16.52 +/- 1.95   0.001% *  0.3281% (0.89   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  33  18.55 +/- 1.06   0.000% *  0.3621% (0.98   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  33  18.45 +/- 0.59   0.000% *  0.3495% (0.95   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  33  18.62 +/- 0.45   0.000% *  0.3495% (0.95   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   LYS+ 111  19.04 +/- 0.76   0.000% *  0.3132% (0.85   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  33  19.68 +/- 0.59   0.000% *  0.3565% (0.97   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   LYS+ 111  20.94 +/- 1.16   0.000% *  0.3195% (0.86   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD3   LYS+ 111  18.17 +/- 0.87   0.000% *  0.0825% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  33  24.06 +/- 1.30   0.000% *  0.3661% (0.99   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  33  22.83 +/- 1.04   0.000% *  0.2091% (0.57   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - QD    LYS+  33  25.60 +/- 0.98   0.000% *  0.3565% (0.97   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   LYS+ 111  26.68 +/- 1.93   0.000% *  0.3056% (0.83   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  33  21.85 +/- 1.41   0.000% *  0.0921% (0.25   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD3   LYS+ 111  28.23 +/- 0.78   0.000% *  0.3310% (0.90   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  33  26.44 +/- 0.79   0.000% *  0.0921% (0.25   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  33  25.16 +/- 0.63   0.000% *  0.0570% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   LYS+ 111  27.28 +/- 0.99   0.000% *  0.0825% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   LYS+ 111  31.18 +/- 0.79   0.000% *  0.1361% (0.37   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 296 (1.38, 1.63, 29.57 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.55, residual support = 157.8:
    * O T HG3   LYS+  33 - QD    LYS+  33   2.37 +/- 0.16  99.652% * 93.2386% (1.00   4.55 157.76) =  99.999%  kept
          HB2   LYS+ 112 - HD3   LYS+ 111   7.34 +/- 0.49   0.159% *  0.3295% (0.80   0.02  25.46) =   0.001%
          QB    ALA   12 - QD    LYS+  33   9.21 +/- 2.58   0.095% *  0.3283% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  33   9.09 +/- 0.68   0.037% *  0.3956% (0.97   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+  33  11.85 +/- 1.27   0.008% *  0.4063% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  10.53 +/- 0.86   0.022% *  0.0916% (0.22   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  33  11.73 +/- 0.46   0.007% *  0.2157% (0.53   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HD3   LYS+ 111  14.49 +/- 0.64   0.002% *  0.2942% (0.72   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  33  12.83 +/- 0.84   0.005% *  0.1140% (0.28   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+  33  16.35 +/- 1.67   0.001% *  0.4063% (0.99   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  33  17.92 +/- 1.02   0.001% *  0.3878% (0.95   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.76 +/- 0.72   0.003% *  0.0633% (0.15   0.02   0.02) =   0.000%
          HB    VAL   42 - HD3   LYS+ 111  19.55 +/- 0.83   0.000% *  0.3641% (0.89   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HD3   LYS+ 111  16.37 +/- 1.89   0.001% *  0.0916% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  33  19.57 +/- 0.90   0.000% *  0.3283% (0.80   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  15.92 +/- 0.41   0.001% *  0.0913% (0.22   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  16.22 +/- 0.87   0.001% *  0.0818% (0.20   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  33  16.15 +/- 0.75   0.001% *  0.0633% (0.15   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   LYS+ 111  19.51 +/- 0.69   0.000% *  0.1933% (0.47   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD3   LYS+ 111  23.08 +/- 1.08   0.000% *  0.3641% (0.89   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD3   LYS+ 111  23.79 +/- 1.05   0.000% *  0.3545% (0.86   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD3   LYS+ 111  24.94 +/- 1.37   0.000% *  0.3475% (0.85   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  21.29 +/- 1.15   0.000% *  0.1022% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   LYS+ 111  21.85 +/- 1.09   0.000% *  0.1021% (0.25   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    LYS+  33  21.59 +/- 1.88   0.000% *  0.1022% (0.25   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  20.50 +/- 1.37   0.000% *  0.0567% (0.14   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  33  27.55 +/- 1.08   0.000% *  0.3677% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD3   LYS+ 111  31.27 +/- 0.96   0.000% *  0.3674% (0.90   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   LYS+ 111  31.79 +/- 2.13   0.000% *  0.2942% (0.72   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   LYS+ 111  24.66 +/- 0.97   0.000% *  0.0567% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.06 A, kept.
 
    Peak 297 (1.63, 1.63, 29.57 ppm):
    2 diagonal assignments:
    *     QD    LYS+  33 - QD    LYS+  33  (1.00)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.80)  kept
 
    Peak 298 (2.92, 1.63, 29.57 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 4.32, residual support = 157.8:
    * O T QE    LYS+  33 - QD    LYS+  33   2.11 +/- 0.03  99.940% * 96.2829% (1.00   4.32 157.76) = 100.000%  kept
          HB2   ASN   35 - QD    LYS+  33   7.78 +/- 0.29   0.041% *  0.1519% (0.34   0.02   0.79) =   0.000%
          HB2   ASN   28 - QD    LYS+  33  10.45 +/- 1.05   0.009% *  0.4366% (0.98   0.02   0.02) =   0.000%
          HB2   ASN   69 - QD    LYS+  33  11.21 +/- 1.75   0.007% *  0.0687% (0.15   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  33  15.14 +/- 2.08   0.001% *  0.3994% (0.90   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  33  17.97 +/- 0.64   0.000% *  0.3059% (0.69   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  21.85 +/- 0.94   0.000% *  0.3579% (0.80   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  33  17.77 +/- 0.69   0.000% *  0.0992% (0.22   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  33  21.49 +/- 0.53   0.000% *  0.2881% (0.65   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  22.70 +/- 1.45   0.000% *  0.2582% (0.58   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  23.03 +/- 0.95   0.000% *  0.2742% (0.62   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD3   LYS+ 111  22.48 +/- 1.30   0.000% *  0.0889% (0.20   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  28.86 +/- 1.16   0.000% *  0.3991% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  30.75 +/- 1.13   0.000% *  0.3912% (0.88   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  30.71 +/- 0.96   0.000% *  0.1361% (0.31   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD3   LYS+ 111  28.51 +/- 0.90   0.000% *  0.0616% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 1.0, support = 5.78, residual support = 157.7:
    *   T HA    LYS+  33 - QE    LYS+  33   3.53 +/- 0.92  70.343% * 96.4322% (1.00   5.78 157.76) =  99.952%  kept
        T HA    GLU-  29 - QE    LYS+  33   6.48 +/- 1.85   3.914% *  0.3219% (0.97   0.02   0.02) =   0.019%
          HB2   SER   37 - QE    LYS+  33   5.79 +/- 1.40  16.958% *  0.0743% (0.22   0.02   0.02) =   0.019%
          HA    VAL   18 - QE    LYS+  65   8.24 +/- 1.14   1.331% *  0.1622% (0.49   0.02   0.02) =   0.003%
        T HA    GLN   32 - QE    LYS+  33   6.47 +/- 1.64   1.984% *  0.0927% (0.28   0.02  15.31) =   0.003%
          HA    SER   48 - HB2   ASP-  76   6.10 +/- 0.55   4.530% *  0.0262% (0.08   0.02   0.02) =   0.002%
          HA    VAL   70 - QE    LYS+  33   9.91 +/- 1.67   0.353% *  0.2893% (0.87   0.02   0.02) =   0.002%
          HA    VAL   18 - QE    LYS+  33  11.11 +/- 1.63   0.225% *  0.3155% (0.95   0.02   0.02) =   0.001%
          HA    VAL   70 - QE    LYS+  65  13.00 +/- 1.03   0.053% *  0.1487% (0.45   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASP-  76  11.55 +/- 0.39   0.093% *  0.0446% (0.13   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  65  14.39 +/- 0.95   0.025% *  0.1487% (0.45   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASP-  76  13.58 +/- 0.79   0.034% *  0.0471% (0.14   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  33  19.45 +/- 1.51   0.004% *  0.2991% (0.90   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QE    LYS+  65  19.75 +/- 1.37   0.004% *  0.1715% (0.51   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASP-  76  11.72 +/- 0.55   0.077% *  0.0077% (0.02   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  65  18.52 +/- 0.96   0.006% *  0.0902% (0.27   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   ASP-  76  16.54 +/- 0.55   0.010% *  0.0480% (0.14   0.02   0.02) =   0.000%
        T HA    GLU-  29 - QE    LYS+  65  21.19 +/- 1.22   0.003% *  0.1655% (0.50   0.02   0.02) =   0.000%
          HA    SER   48 - QE    LYS+  33  22.12 +/- 1.21   0.002% *  0.1755% (0.53   0.02   0.02) =   0.000%
          HA    GLN  116 - QE    LYS+  33  24.17 +/- 1.43   0.001% *  0.2893% (0.87   0.02   0.02) =   0.000%
          HB2   SER   37 - QE    LYS+  65  18.00 +/- 1.46   0.008% *  0.0382% (0.11   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASP-  76  15.12 +/- 0.46   0.018% *  0.0154% (0.05   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  21.81 +/- 0.78   0.002% *  0.1029% (0.31   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  17.54 +/- 0.93   0.008% *  0.0265% (0.08   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   ASP-  76  21.04 +/- 0.53   0.002% *  0.0498% (0.15   0.02   0.02) =   0.000%
          HA    VAL   70 - HB2   ASP-  76  21.23 +/- 0.44   0.002% *  0.0432% (0.13   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  22.04 +/- 1.31   0.002% *  0.0477% (0.14   0.02   0.02) =   0.000%
          HB2   SER   82 - QE    LYS+  65  26.62 +/- 0.85   0.001% *  0.1538% (0.46   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  24.60 +/- 1.03   0.001% *  0.0515% (0.15   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   ASP-  76  23.56 +/- 0.30   0.001% *  0.0432% (0.13   0.02   0.02) =   0.000%
        T HA    GLN   32 - HB2   ASP-  76  19.84 +/- 0.53   0.003% *  0.0138% (0.04   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  25.16 +/- 0.85   0.001% *  0.0529% (0.16   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   ASP-  76  23.16 +/- 0.90   0.001% *  0.0111% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 157.8:
    *   T QB    LYS+  33 - QE    LYS+  33   2.58 +/- 0.65  98.933% * 94.9618% (1.00   5.64 157.76) =  99.999%  kept
          HB3   GLN   30 - QE    LYS+  33   6.18 +/- 1.08   0.618% *  0.0840% (0.25   0.02   0.02) =   0.001%
          HG3   PRO   68 - QE    LYS+  65  10.53 +/- 1.63   0.101% *  0.1598% (0.47   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  33  10.91 +/- 1.14   0.062% *  0.1384% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP-  76   8.44 +/- 0.44   0.171% *  0.0485% (0.14   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+  33  15.16 +/- 2.01   0.008% *  0.3109% (0.92   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  65  14.80 +/- 1.34   0.005% *  0.1671% (0.50   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP-  76  12.28 +/- 1.64   0.017% *  0.0498% (0.15   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QE    LYS+  65  16.00 +/- 1.13   0.005% *  0.1731% (0.51   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  65  14.30 +/- 0.90   0.006% *  0.0980% (0.29   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  65  13.33 +/- 0.95   0.012% *  0.0432% (0.13   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  33  18.36 +/- 0.55   0.002% *  0.3186% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  33  18.64 +/- 0.95   0.001% *  0.3301% (0.98   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  33  18.32 +/- 0.55   0.001% *  0.3186% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QE    LYS+  65  17.23 +/- 0.71   0.002% *  0.1697% (0.50   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  33  19.18 +/- 1.14   0.001% *  0.3250% (0.97   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QE    LYS+  65  18.35 +/- 0.71   0.002% *  0.1638% (0.49   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP-  76  15.49 +/- 1.24   0.004% *  0.0485% (0.14   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+  65  16.54 +/- 1.33   0.004% *  0.0432% (0.13   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   ASP-  76  15.07 +/- 0.40   0.005% *  0.0284% (0.08   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP-  76  13.39 +/- 0.69   0.011% *  0.0125% (0.04   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   ASP-  76  16.98 +/- 0.23   0.002% *  0.0475% (0.14   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB2   ASP-  76  17.05 +/- 0.50   0.002% *  0.0502% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   ASP-  76  13.67 +/- 1.04   0.012% *  0.0078% (0.02   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  33  23.61 +/- 1.79   0.000% *  0.3338% (0.99   0.02   0.02) =   0.000%
          HB    ILE  103 - QE    LYS+  65  22.80 +/- 0.75   0.000% *  0.1638% (0.49   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+  65  22.75 +/- 0.74   0.000% *  0.1671% (0.50   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  15.13 +/- 0.58   0.005% *  0.0125% (0.04   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+  33  22.95 +/- 1.23   0.000% *  0.1907% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  65  18.61 +/- 0.99   0.001% *  0.0432% (0.13   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+  33  25.77 +/- 1.42   0.000% *  0.3250% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+  65  21.62 +/- 1.13   0.001% *  0.0712% (0.21   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  33  22.35 +/- 1.50   0.001% *  0.0840% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   90 - QE    LYS+  65  24.49 +/- 0.98   0.000% *  0.1716% (0.51   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   ASP-  76  21.19 +/- 0.43   0.001% *  0.0492% (0.15   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   ASP-  76  21.70 +/- 0.32   0.001% *  0.0475% (0.14   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  65  21.09 +/- 1.10   0.001% *  0.0267% (0.08   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  33  26.44 +/- 0.96   0.000% *  0.0840% (0.25   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+  33  25.00 +/- 0.69   0.000% *  0.0520% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP-  76  25.69 +/- 0.54   0.000% *  0.0464% (0.14   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP-  76  26.62 +/- 0.51   0.000% *  0.0207% (0.06   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  26.72 +/- 0.45   0.000% *  0.0125% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.84 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 = 0.802, support = 4.89, residual support = 159.4:
    * O T HG3   LYS+  33 - QE    LYS+  33   2.71 +/- 0.60  37.669% * 68.3160% (1.00   5.31 157.76) =  59.633%  kept
      O T HG3   LYS+  65 - QE    LYS+  65   2.37 +/- 0.48  61.944% * 28.1209% (0.51   4.29 161.77) =  40.366%  kept
          QB    ALA   12 - QE    LYS+  33   9.81 +/- 2.62   0.104% *  0.2062% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  33   9.01 +/- 1.22   0.038% *  0.2485% (0.97   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  33  12.09 +/- 1.29   0.005% *  0.2553% (0.99   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  76   6.76 +/- 0.36   0.103% *  0.0086% (0.03   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  65  11.88 +/- 1.02   0.005% *  0.1312% (0.51   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  33  11.53 +/- 0.45   0.004% *  0.1355% (0.53   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB2   ASP-  76   8.16 +/- 0.71   0.041% *  0.0107% (0.04   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  65  13.68 +/- 2.56   0.004% *  0.1060% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   7.74 +/- 0.42   0.053% *  0.0059% (0.02   0.02   1.12) =   0.000%
          HB3   LEU   73 - HB2   ASP-  76  10.64 +/- 0.40   0.008% *  0.0371% (0.14   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  33  12.92 +/- 1.44   0.003% *  0.0716% (0.28   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  33  16.96 +/- 2.00   0.001% *  0.2553% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  65  14.01 +/- 1.08   0.002% *  0.1278% (0.50   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  65  11.55 +/- 1.14   0.005% *  0.0368% (0.14   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  33  17.62 +/- 1.38   0.000% *  0.2436% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  65  17.09 +/- 1.12   0.001% *  0.1187% (0.46   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  33  13.51 +/- 0.75   0.002% *  0.0397% (0.15   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  65  17.65 +/- 1.72   0.000% *  0.1324% (0.51   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  33  15.54 +/- 0.94   0.001% *  0.0573% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  33  19.45 +/- 0.83   0.000% *  0.2062% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  33  15.59 +/- 1.42   0.001% *  0.0397% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  65  15.48 +/- 0.80   0.001% *  0.0330% (0.13   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  65  17.54 +/- 0.90   0.000% *  0.0697% (0.27   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  76  12.53 +/- 0.72   0.003% *  0.0096% (0.04   0.02   0.02) =   0.000%
          HB    VAL   42 - HB2   ASP-  76  16.12 +/- 0.66   0.001% *  0.0381% (0.15   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  65  20.35 +/- 0.93   0.000% *  0.1060% (0.41   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   ASP-  76  20.03 +/- 2.87   0.000% *  0.0308% (0.12   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  65  18.12 +/- 0.66   0.000% *  0.0295% (0.11   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  65  18.79 +/- 1.00   0.000% *  0.0330% (0.13   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   ASP-  76  17.02 +/- 0.33   0.000% *  0.0202% (0.08   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  33  21.29 +/- 1.22   0.000% *  0.0642% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   ASP-  76  19.64 +/- 0.60   0.000% *  0.0381% (0.15   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HB2   ASP-  76  19.67 +/- 1.34   0.000% *  0.0384% (0.15   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    LYS+  33  21.83 +/- 1.53   0.000% *  0.0642% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  33  27.76 +/- 1.14   0.000% *  0.2310% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  65  25.19 +/- 1.33   0.000% *  0.1252% (0.49   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  65  19.30 +/- 1.08   0.000% *  0.0204% (0.08   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   ASP-  76  20.10 +/- 0.93   0.000% *  0.0308% (0.12   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  76  22.39 +/- 0.62   0.000% *  0.0345% (0.13   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  76  17.48 +/- 0.94   0.000% *  0.0059% (0.02   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  65  21.94 +/- 1.12   0.000% *  0.0204% (0.08   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   ASP-  76  25.76 +/- 0.70   0.000% *  0.0363% (0.14   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   ASP-  76  26.26 +/- 0.82   0.000% *  0.0096% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 157.8:
    * O T QD    LYS+  33 - QE    LYS+  33   2.11 +/- 0.03  99.903% * 97.0672% (1.00   4.32 157.76) = 100.000%  kept
          QB    ALA   57 - QE    LYS+  65   8.33 +/- 0.85   0.033% *  0.2002% (0.45   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   ASP-  76   7.90 +/- 1.03   0.052% *  0.0379% (0.08   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  12.01 +/- 1.00   0.003% *  0.1307% (0.29   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  65  14.50 +/- 1.13   0.001% *  0.2308% (0.51   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+  65  15.14 +/- 2.08   0.001% *  0.2308% (0.51   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  15.12 +/- 1.24   0.001% *  0.2542% (0.57   0.02   0.02) =   0.000%
          QB    ALA   57 - HB2   ASP-  76  11.95 +/- 0.37   0.003% *  0.0581% (0.13   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  17.97 +/- 1.19   0.000% *  0.3895% (0.87   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  65  15.29 +/- 1.49   0.001% *  0.0457% (0.10   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  33  22.81 +/- 1.81   0.000% *  0.4490% (1.00   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   ASP-  76  17.77 +/- 0.69   0.000% *  0.0670% (0.15   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  21.85 +/- 0.94   0.000% *  0.2070% (0.46   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   ASP-  76  16.28 +/- 0.92   0.001% *  0.0133% (0.03   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  28.86 +/- 1.16   0.000% *  0.4027% (0.90   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   ASP-  76  22.48 +/- 1.30   0.000% *  0.0601% (0.13   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QE    LYS+  33  26.52 +/- 1.48   0.000% *  0.0889% (0.20   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   ASP-  76  28.56 +/- 1.00   0.000% *  0.0670% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 304 (2.92, 2.92, 42.01 ppm):
    3 diagonal assignments:
    *     QE    LYS+  33 - QE    LYS+  33  (1.00)  kept
          QE    LYS+  65 - QE    LYS+  65  (0.46)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.03)  kept
 
    Peak 305 (4.13, 4.13, 54.46 ppm):
    2 diagonal assignments:
    *     HA    ALA   34 - HA    ALA   34  (0.80)  kept
          HA    ALA  124 - HA    ALA  124  (0.12)  kept
 
    Peak 306 (1.28, 4.13, 54.46 ppm):
    14 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 26.1:
    * O T QB    ALA   34 - HA    ALA   34   2.14 +/- 0.01  99.170% * 95.6714% (0.80   1.93  26.09) =  99.997%  kept
          QG2   THR   39 - HA    ALA   34   4.88 +/- 0.26   0.747% *  0.3069% (0.25   0.02   3.84) =   0.002%
          HG3   LYS+  38 - HA    ALA   34   7.06 +/- 0.26   0.079% *  0.5807% (0.47   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA   34  16.72 +/- 0.14   0.000% *  1.0940% (0.89   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA   34  18.01 +/- 0.28   0.000% *  0.8015% (0.65   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ALA  124  13.12 +/- 0.90   0.002% *  0.0704% (0.06   0.02   0.02) =   0.000%
        T QB    ALA   34 - HA    ALA  124  17.52 +/- 0.86   0.000% *  0.2272% (0.18   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA   34  17.70 +/- 0.35   0.000% *  0.2457% (0.20   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ALA  124  18.33 +/- 0.40   0.000% *  0.1840% (0.15   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA   34  22.06 +/- 0.61   0.000% *  0.3069% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA  124  21.93 +/- 1.37   0.000% *  0.1333% (0.11   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ALA  124  30.00 +/- 0.63   0.000% *  0.2511% (0.20   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    ALA  124  23.84 +/- 0.54   0.000% *  0.0564% (0.05   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    ALA  124  25.47 +/- 1.47   0.000% *  0.0704% (0.06   0.02   0.02) =   0.000%
    Distance limit 2.77 A violated in 0 structures by 0.00 A, kept.
 
    Peak 307 (4.13, 1.28, 18.57 ppm):
    10 chemical-shift based assignments, quality = 0.804, support = 1.93, residual support = 26.1:
    * O T HA    ALA   34 - QB    ALA   34   2.14 +/- 0.01  99.715% * 94.3172% (0.80   1.93  26.09) =  99.998%  kept
          HA    ASN   28 - QB    ALA   34   6.90 +/- 0.17   0.090% *  1.0785% (0.89   0.02   0.02) =   0.001%
          HA1   GLY  101 - QB    ALA   34   7.77 +/- 1.49   0.071% *  0.7901% (0.65   0.02   0.02) =   0.001%
          HA    GLU-  36 - QB    ALA   34   6.65 +/- 0.09   0.110% *  0.1679% (0.14   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   34   9.73 +/- 0.26   0.011% *  0.2713% (0.22   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   34  16.43 +/- 0.31   0.000% *  1.0666% (0.88   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   34  17.52 +/- 0.86   0.000% *  0.6600% (0.54   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA   34  16.26 +/- 0.35   0.001% *  0.2423% (0.20   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   34  19.42 +/- 0.36   0.000% *  0.6160% (0.51   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   34  20.69 +/- 0.50   0.000% *  0.7901% (0.65   0.02   0.02) =   0.000%
    Distance limit 2.90 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   2.76 +/- 0.06  99.021% * 97.7465% (1.00   4.03  54.18) =  99.999%  kept
          QE    LYS+  33 - HA    ASN   35   8.15 +/- 0.83   0.192% *  0.1656% (0.34   0.02   0.79) =   0.000%
          QE    LYS+  33 - HA    GLU-  15   8.07 +/- 2.27   0.583% *  0.0307% (0.06   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    LEU   40   9.88 +/- 0.34   0.049% *  0.1820% (0.37   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  15  10.16 +/- 1.42   0.068% *  0.0546% (0.11   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    ASN   35  11.87 +/- 0.34   0.016% *  0.2176% (0.45   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    LEU   40  11.00 +/- 1.01   0.031% *  0.0621% (0.13   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    ASN   35  15.95 +/- 0.64   0.003% *  0.4055% (0.84   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    GLU-  15  15.28 +/- 1.48   0.004% *  0.0900% (0.19   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    LEU   40  12.90 +/- 1.07   0.011% *  0.0246% (0.05   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LEU   40  17.28 +/- 0.63   0.002% *  0.1520% (0.31   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    LEU   40  16.88 +/- 0.95   0.002% *  0.1104% (0.23   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LEU   40  16.45 +/- 0.38   0.002% *  0.0816% (0.17   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    LEU   40  15.07 +/- 0.48   0.004% *  0.0454% (0.09   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASN   35  21.27 +/- 1.31   0.001% *  0.2944% (0.61   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    ASN   35  16.87 +/- 1.15   0.002% *  0.0657% (0.14   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    GLU-  15  14.19 +/- 0.85   0.006% *  0.0224% (0.05   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    GLU-  15  16.84 +/- 1.14   0.002% *  0.0404% (0.08   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    ASN   35  20.21 +/- 0.56   0.001% *  0.1211% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    GLU-  15  23.16 +/- 1.20   0.000% *  0.0752% (0.15   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    GLU-  15  22.17 +/- 1.17   0.000% *  0.0122% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 4.88, residual support = 83.6:
    * O T QB    GLU-  36 - HA    GLU-  36   2.37 +/- 0.19  99.976% * 98.7013% (1.00   4.88  83.61) = 100.000%  kept
        T HB3   GLU-  29 - HA    GLU-  36  13.20 +/- 0.49   0.004% *  0.3512% (0.87   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  36  10.71 +/- 1.43   0.017% *  0.0709% (0.18   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  36  14.12 +/- 0.42   0.003% *  0.1971% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HA    GLU-  36  24.31 +/- 0.69   0.000% *  0.4013% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU-  36  28.85 +/- 0.61   0.000% *  0.2781% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 83.6:
    * O T HG2   GLU-  36 - HA    GLU-  36   2.89 +/- 0.89  99.993% * 99.0288% (1.00   3.31  83.61) = 100.000%  kept
          HG3   MET   96 - HA    GLU-  36  18.28 +/- 0.42   0.004% *  0.5519% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    GLU-  36  20.71 +/- 0.91   0.002% *  0.1047% (0.18   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    GLU-  36  26.85 +/- 0.81   0.000% *  0.3146% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.22 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 = 83.6:
    * O T HG3   GLU-  36 - HA    GLU-  36   3.43 +/- 0.08  99.979% * 97.3968% (1.00   3.31  83.61) = 100.000%  kept
        T QB    MET   11 - HA    GLU-  36  18.05 +/- 4.61   0.016% *  0.2207% (0.38   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  36  18.79 +/- 0.52   0.004% *  0.2636% (0.45   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU-  36  24.92 +/- 0.80   0.001% *  0.5675% (0.97   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  36  26.50 +/- 0.56   0.000% *  0.5829% (0.99   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    GLU-  36  32.02 +/- 0.73   0.000% *  0.5881% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  36  32.63 +/- 0.76   0.000% *  0.3804% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 83.6:
    * O T HA    GLU-  36 - HG2   GLU-  36   2.89 +/- 0.89  99.997% * 98.5858% (1.00   3.31  83.61) = 100.000%  kept
          HA    LYS+  81 - HG2   GLU-  36  25.36 +/- 0.74   0.001% *  0.5835% (0.98   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   GLU-  36  26.08 +/- 1.61   0.001% *  0.3851% (0.65   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   GLU-  36  23.14 +/- 1.97   0.002% *  0.1325% (0.22   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   GLU-  36  32.43 +/- 1.76   0.000% *  0.3132% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 83.6:
    * O T QB    GLU-  36 - HG2   GLU-  36   2.48 +/- 0.08  99.977% * 98.5267% (1.00   4.29  83.61) = 100.000%  kept
        T HB3   GLU-  29 - HG2   GLU-  36  11.85 +/- 1.28   0.010% *  0.3984% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   GLU-  36  12.94 +/- 0.75   0.005% *  0.2236% (0.49   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG2   GLU-  36  12.54 +/- 1.45   0.008% *  0.0804% (0.18   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG2   GLU-  36  23.71 +/- 1.24   0.000% *  0.4553% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   GLU-  36  29.06 +/- 0.88   0.000% *  0.3155% (0.69   0.02   0.02) =   0.000%
    Distance limit 2.71 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 = 83.6:
    * O T HG3   GLU-  36 - HG2   GLU-  36   1.75 +/- 0.00  99.999% * 97.1334% (1.00   3.00  83.61) = 100.000%  kept
        T QB    MET   11 - HG2   GLU-  36  16.47 +/- 5.37   0.001% *  0.2430% (0.38   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   GLU-  36  17.67 +/- 0.68   0.000% *  0.2903% (0.45   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   GLU-  36  24.31 +/- 1.25   0.000% *  0.6249% (0.97   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   GLU-  36  27.13 +/- 1.16   0.000% *  0.6418% (0.99   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   GLU-  36  32.16 +/- 1.28   0.000% *  0.6476% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   52 - HG2   GLU-  36  32.60 +/- 1.39   0.000% *  0.4189% (0.65   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 333 (4.10, 2.31, 36.40 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 83.6:
    * O T HA    GLU-  36 - HG3   GLU-  36   3.43 +/- 0.08  99.978% * 98.3396% (1.00   3.31  83.61) = 100.000%  kept
        T HA    GLU-  36 - QB    MET   11  18.05 +/- 4.61   0.016% *  0.0740% (0.12   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   GLU-  36  26.03 +/- 0.64   0.001% *  0.5820% (0.98   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   GLU-  36  26.60 +/- 1.95   0.001% *  0.3841% (0.65   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG3   GLU-  36  23.55 +/- 1.78   0.001% *  0.1322% (0.22   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    MET   11  28.35 +/- 3.85   0.001% *  0.0725% (0.12   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG3   GLU-  36  33.03 +/- 1.02   0.000% *  0.3124% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    MET   11  20.83 +/- 1.51   0.002% *  0.0165% (0.03   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    MET   11  28.26 +/- 1.83   0.000% *  0.0479% (0.08   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    MET   11  28.17 +/- 2.19   0.000% *  0.0389% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 83.6:
    * O   QB    GLU-  36 - HG3   GLU-  36   2.29 +/- 0.11  99.927% * 98.2900% (1.00   4.29  83.61) = 100.000%  kept
          HB3   GLU-  29 - QB    MET   11  14.65 +/- 4.88   0.041% *  0.0495% (0.11   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   GLU-  36  12.02 +/- 0.70   0.005% *  0.3975% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   GLU-  36  13.09 +/- 0.91   0.003% *  0.2230% (0.49   0.02   0.02) =   0.000%
          QB    GLU-  36 - QB    MET   11  14.46 +/- 4.13   0.007% *  0.0571% (0.12   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QB    MET   11  16.41 +/- 4.97   0.012% *  0.0278% (0.06   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HG3   GLU-  36  13.28 +/- 1.70   0.004% *  0.0803% (0.18   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HG3   GLU-  36  24.24 +/- 0.72   0.000% *  0.4542% (0.99   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - QB    MET   11  23.99 +/- 3.74   0.000% *  0.0566% (0.12   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   GLU-  36  29.84 +/- 0.86   0.000% *  0.3148% (0.69   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QB    MET   11  23.65 +/- 3.80   0.000% *  0.0100% (0.02   0.02   0.02) =   0.000%
        T HB2   GLN   90 - QB    MET   11  32.32 +/- 2.83   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 = 83.6:
    * O T HG2   GLU-  36 - HG3   GLU-  36   1.75 +/- 0.00  99.999% * 98.7158% (1.00   3.00  83.61) = 100.000%  kept
        T HG2   GLU-  36 - QB    MET   11  16.47 +/- 5.37   0.001% *  0.0820% (0.12   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  36  20.05 +/- 0.54   0.000% *  0.6075% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   GLU-  36  21.94 +/- 1.05   0.000% *  0.1153% (0.18   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  36  27.35 +/- 1.64   0.000% *  0.3462% (0.53   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    MET   11  26.46 +/- 3.08   0.000% *  0.0757% (0.12   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    MET   11  24.27 +/- 1.41   0.000% *  0.0431% (0.07   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    MET   11  28.77 +/- 4.26   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 = 2.41, residual support = 25.7:
    * O T HB2   SER   37 - HA    SER   37   2.62 +/- 0.18  99.097% * 94.7610% (1.00   2.41  25.73) =  99.998%  kept
          HA    LYS+  33 - HA    SER   37   5.94 +/- 0.22   0.794% *  0.1753% (0.22   0.02   0.02) =   0.001%
          HA    VAL   70 - HA    SER   37   9.50 +/- 0.41   0.049% *  0.3832% (0.49   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   13  10.56 +/- 0.66   0.029% *  0.3514% (0.45   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    SER   37  14.10 +/- 1.62   0.006% *  0.6576% (0.84   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    SER   13  14.27 +/- 2.43   0.006% *  0.4207% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   13  13.62 +/- 3.20   0.012% *  0.0937% (0.12   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    SER   13  15.37 +/- 1.47   0.003% *  0.2048% (0.26   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    THR   46  16.73 +/- 0.22   0.002% *  0.3797% (0.48   0.02   0.02) =   0.000%
          HA1   GLY   16 - HA    THR   46  19.40 +/- 0.52   0.001% *  0.6515% (0.83   0.02   0.02) =   0.000%
          HA    VAL   70 - HA    THR   46  19.63 +/- 0.27   0.001% *  0.3797% (0.48   0.02   0.02) =   0.000%
        T HB2   SER   37 - HA    THR   46  23.85 +/- 0.53   0.000% *  0.7800% (0.99   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    THR   46  23.34 +/- 0.22   0.000% *  0.1737% (0.22   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   37  26.95 +/- 0.61   0.000% *  0.3832% (0.49   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   13  28.54 +/- 0.90   0.000% *  0.2048% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.80 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 = 0.564, support = 2.14, residual support = 15.6:
      O T QB    SER   13 - HA    SER   13   2.38 +/- 0.14  78.371% * 23.2434% (0.35   1.93   7.50) =  55.327%  kept
    * O T HB3   SER   37 - HA    SER   37   2.99 +/- 0.09  21.024% * 69.9481% (0.84   2.41  25.73) =  44.665%  kept
          HB    THR   39 - HA    SER   37   5.43 +/- 0.17   0.566% *  0.4779% (0.69   0.02   2.67) =   0.008%
          HA    ILE   89 - HA    THR   46   9.09 +/- 0.60   0.028% *  0.5758% (0.83   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    SER   37  13.76 +/- 2.93   0.005% *  0.4501% (0.65   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   46  14.72 +/- 0.25   0.001% *  0.6878% (0.99   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    SER   13  14.51 +/- 2.53   0.002% *  0.3105% (0.45   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   13  15.00 +/- 2.06   0.002% *  0.2554% (0.37   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   46  16.20 +/- 0.46   0.001% *  0.2351% (0.34   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR   46  21.42 +/- 0.26   0.000% *  0.4735% (0.68   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    THR   46  21.94 +/- 1.36   0.000% *  0.4459% (0.64   0.02   0.02) =   0.000%
        T HB3   SER   37 - HA    THR   46  23.08 +/- 0.36   0.000% *  0.5758% (0.83   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   37  24.10 +/- 0.36   0.000% *  0.6942% (1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   37  25.76 +/- 0.27   0.000% *  0.5811% (0.84   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   37  24.94 +/- 0.89   0.000% *  0.2373% (0.34   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   13  27.79 +/- 1.12   0.000% *  0.3709% (0.53   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   13  28.95 +/- 2.22   0.000% *  0.3105% (0.45   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    SER   13  27.72 +/- 3.06   0.000% *  0.1268% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 2.41, residual support = 25.7:
    * O T HA    SER   37 - HB2   SER   37   2.62 +/- 0.18  99.834% * 96.2950% (1.00   2.41  25.73) =  99.999%  kept
          HA    LEU   40 - HB2   SER   37   8.38 +/- 0.45   0.112% *  0.3002% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   SER   37  10.79 +/- 1.60   0.034% *  0.4529% (0.57   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   SER   37  12.78 +/- 0.43   0.009% *  0.4852% (0.61   0.02   0.02) =   0.000%
        T HA    SER   13 - HB2   SER   37  14.27 +/- 2.43   0.006% *  0.4529% (0.57   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   SER   37  14.87 +/- 0.93   0.004% *  0.8000% (1.00   0.02   0.02) =   0.000%
        T HA    THR   46 - HB2   SER   37  23.85 +/- 0.53   0.000% *  0.7929% (0.99   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   SER   37  23.47 +/- 0.61   0.000% *  0.4209% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 25.7:
    * O T HB3   SER   37 - HB2   SER   37   1.75 +/- 0.00  98.337% * 95.9695% (0.84   2.00  25.73) =  99.986%  kept
          HB    THR   39 - HB2   SER   37   3.70 +/- 0.54   1.661% *  0.7892% (0.69   0.02   2.67) =   0.014%
        T QB    SER   13 - HB2   SER   37  12.53 +/- 2.76   0.002% *  0.7433% (0.65   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   37  22.43 +/- 0.57   0.000% *  1.1464% (1.00   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   37  24.13 +/- 0.60   0.000% *  0.9597% (0.84   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   SER   37  23.72 +/- 0.98   0.000% *  0.3919% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.57 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 = 0.568, support = 2.14, residual support = 15.4:
      O T HA    SER   13 - QB    SER   13   2.38 +/- 0.14  78.395% * 24.5226% (0.36   1.93   7.50) =  56.469%  kept
    * O T HA    SER   37 - HB3   SER   37   2.99 +/- 0.09  21.021% * 70.4950% (0.84   2.41  25.73) =  43.527%  kept
          HA    GLU-  15 - QB    SER   13   6.57 +/- 1.05   0.456% *  0.2537% (0.36   0.02   0.02) =   0.003%
          HA    LEU   40 - HB3   SER   37   7.48 +/- 0.24   0.085% *  0.2198% (0.31   0.02   0.02) =   0.001%
          HA    GLN   17 - QB    SER   13  10.36 +/- 0.81   0.014% *  0.4482% (0.64   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   SER   37  10.85 +/- 1.63   0.013% *  0.3316% (0.47   0.02   0.02) =   0.000%
        T HA    SER   37 - QB    SER   13  13.76 +/- 2.93   0.005% *  0.4482% (0.64   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   SER   37  11.88 +/- 0.27   0.005% *  0.3552% (0.51   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   SER   37  14.65 +/- 0.88   0.002% *  0.5856% (0.84   0.02   0.02) =   0.000%
        T HA    SER   13 - HB3   SER   37  14.51 +/- 2.53   0.002% *  0.3316% (0.47   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    SER   13  17.50 +/- 1.72   0.001% *  0.2718% (0.39   0.02   0.02) =   0.000%
          HA    LEU   40 - QB    SER   13  17.06 +/- 2.10   0.001% *  0.1682% (0.24   0.02   0.02) =   0.000%
          HA    PRO   58 - QB    SER   13  19.55 +/- 1.32   0.000% *  0.2358% (0.34   0.02   0.02) =   0.000%
        T HA    THR   46 - QB    SER   13  21.94 +/- 1.36   0.000% *  0.4442% (0.63   0.02   0.02) =   0.000%
        T HA    THR   46 - HB3   SER   37  23.08 +/- 0.36   0.000% *  0.5805% (0.83   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   SER   37  22.96 +/- 0.50   0.000% *  0.3081% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 25.7:
    * O T HB2   SER   37 - HB3   SER   37   1.75 +/- 0.00  99.787% * 95.8303% (0.84   2.00  25.73) =  99.999%  kept
          HA    LYS+  33 - HB3   SER   37   5.25 +/- 0.59   0.176% *  0.2134% (0.19   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   37   7.21 +/- 0.38   0.022% *  0.4665% (0.41   0.02   0.02) =   0.000%
          HA1   GLY   16 - QB    SER   13   9.32 +/- 0.99   0.006% *  0.6125% (0.53   0.02   0.02) =   0.000%
        T HB2   SER   37 - QB    SER   13  12.53 +/- 2.76   0.002% *  0.7333% (0.64   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB3   SER   37  11.97 +/- 1.59   0.001% *  0.8004% (0.70   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    SER   13  12.10 +/- 3.48   0.006% *  0.1633% (0.14   0.02   0.02) =   0.000%
        T HA    VAL   70 - QB    SER   13  13.56 +/- 1.79   0.001% *  0.3569% (0.31   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   37  24.50 +/- 0.63   0.000% *  0.4665% (0.41   0.02   0.02) =   0.000%
          HA    GLN  116 - QB    SER   13  25.36 +/- 1.09   0.000% *  0.3569% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 346 (3.88, 3.88, 64.19 ppm):
    2 diagonal assignments:
    *     HB3   SER   37 - HB3   SER   37  (0.70)  kept
          QB    SER   13 - QB    SER   13  (0.41)  kept
 
    Peak 347 (3.78, 3.78, 58.04 ppm):
    2 diagonal assignments:
    *     HA    LYS+  38 - HA    LYS+  38  (1.00)  kept
          HA    GLU- 100 - HA    GLU- 100  (0.01)  kept
 
    Peak 348 (2.18, 3.78, 58.04 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 209.7:
    * O T HB2   LYS+  38 - HA    LYS+  38   2.84 +/- 0.29  96.690% * 99.0884% (1.00   5.62 209.68) =  99.999%  kept
        T HB2   LYS+  38 - HA    GLU- 100   5.65 +/- 1.39   3.240% *  0.0213% (0.06   0.02   0.02) =   0.001%
          HB    VAL   70 - HA    LYS+  38  11.47 +/- 0.90   0.034% *  0.0698% (0.20   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    LYS+  38  16.40 +/- 0.48   0.003% *  0.2560% (0.73   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    LYS+  38  15.22 +/- 0.42   0.005% *  0.1202% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  16.67 +/- 1.28   0.003% *  0.0879% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  20.50 +/- 0.45   0.001% *  0.1202% (0.34   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  12.46 +/- 0.83   0.018% *  0.0042% (0.01   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    LYS+  38  26.70 +/- 0.64   0.000% *  0.1855% (0.53   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU- 100  18.42 +/- 1.02   0.001% *  0.0155% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU- 100  17.54 +/- 0.95   0.002% *  0.0073% (0.02   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  18.71 +/- 1.25   0.002% *  0.0053% (0.02   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  22.02 +/- 0.95   0.001% *  0.0073% (0.02   0.02   0.02) =   0.000%
          HB2   GLN   90 - HA    GLU- 100  25.30 +/- 0.70   0.000% *  0.0112% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 349 (1.88, 3.78, 58.04 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 209.7:
    * O T HB3   LYS+  38 - HA    LYS+  38   2.65 +/- 0.25  95.789% * 97.5781% (1.00   5.62 209.68) =  99.999%  kept
        T HB3   LYS+  38 - HA    GLU- 100   5.02 +/- 1.20   4.017% *  0.0210% (0.06   0.02   0.02) =   0.001%
          QB    LYS+  33 - HA    LYS+  38   8.54 +/- 0.48   0.103% *  0.1427% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  38  12.15 +/- 0.46   0.012% *  0.3284% (0.95   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  38  13.98 +/- 0.56   0.005% *  0.0866% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LYS+  38  16.60 +/- 0.38   0.002% *  0.2105% (0.61   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  38  15.85 +/- 0.39   0.002% *  0.1071% (0.31   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  38  16.05 +/- 1.27   0.003% *  0.0773% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLU- 100  11.36 +/- 0.79   0.022% *  0.0086% (0.02   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLU- 100  10.71 +/- 0.24   0.026% *  0.0052% (0.02   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLU- 100  13.92 +/- 0.80   0.006% *  0.0198% (0.06   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    GLU- 100  14.33 +/- 0.56   0.005% *  0.0127% (0.04   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+  38  23.59 +/- 0.55   0.000% *  0.1965% (0.57   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  38  26.16 +/- 0.33   0.000% *  0.3350% (0.97   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLU- 100  13.82 +/- 0.32   0.005% *  0.0065% (0.02   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    LYS+  38  26.05 +/- 0.40   0.000% *  0.2246% (0.65   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  38  27.94 +/- 0.42   0.000% *  0.2899% (0.84   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+  38  26.52 +/- 0.79   0.000% *  0.1690% (0.49   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLU- 100  17.52 +/- 1.63   0.002% *  0.0047% (0.01   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  38  31.59 +/- 0.56   0.000% *  0.0965% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    GLU- 100  22.97 +/- 0.74   0.000% *  0.0119% (0.03   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLU- 100  25.41 +/- 0.36   0.000% *  0.0202% (0.06   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU- 100  26.49 +/- 0.54   0.000% *  0.0175% (0.05   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    GLU- 100  25.02 +/- 1.13   0.000% *  0.0102% (0.03   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HA    GLU- 100  26.07 +/- 0.48   0.000% *  0.0136% (0.04   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLU- 100  31.49 +/- 0.75   0.000% *  0.0058% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 350 (1.32, 3.78, 58.04 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.63, residual support = 209.7:
    * O T HG2   LYS+  38 - HA    LYS+  38   2.67 +/- 0.30  93.719% * 98.2457% (1.00   6.63 209.68) =  99.995%  kept
        T HG2   LYS+  99 - HA    LYS+  38   6.09 +/- 0.78   1.104% *  0.2906% (0.98   0.02   0.02) =   0.003%
        T HG2   LYS+  99 - HA    GLU- 100   4.74 +/- 0.35   3.502% *  0.0176% (0.06   0.02  40.20) =   0.001%
        T HG2   LYS+  38 - HA    GLU- 100   5.82 +/- 1.10   1.472% *  0.0179% (0.06   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+  38  10.63 +/- 0.34   0.027% *  0.2153% (0.73   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  38  10.67 +/- 0.97   0.030% *  0.0457% (0.15   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  38  17.82 +/- 0.73   0.001% *  0.2476% (0.84   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    GLU- 100   8.79 +/- 0.88   0.113% *  0.0028% (0.01   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    GLU- 100  11.74 +/- 1.10   0.018% *  0.0130% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  38  18.11 +/- 0.45   0.001% *  0.1329% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  38  18.18 +/- 0.62   0.001% *  0.1011% (0.34   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  38  17.87 +/- 1.29   0.002% *  0.0660% (0.22   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  38  19.93 +/- 0.41   0.001% *  0.1329% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  38  20.91 +/- 0.65   0.000% *  0.1678% (0.57   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    GLU- 100  15.86 +/- 0.76   0.003% *  0.0150% (0.05   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  38  28.35 +/- 0.31   0.000% *  0.2374% (0.80   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    GLU- 100  18.22 +/- 0.63   0.001% *  0.0080% (0.03   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    GLU- 100  18.02 +/- 0.66   0.001% *  0.0061% (0.02   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    GLU- 100  17.52 +/- 1.13   0.002% *  0.0040% (0.01   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    GLU- 100  19.35 +/- 0.50   0.001% *  0.0080% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    GLU- 100  20.87 +/- 1.13   0.001% *  0.0101% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    GLU- 100  26.41 +/- 0.41   0.000% *  0.0143% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 6.38, residual support = 209.6:
    * O T HG3   LYS+  38 - HA    LYS+  38   3.02 +/- 0.57  80.516% * 98.1623% (1.00   6.39 209.68) =  99.971%  kept
          QB    ALA   34 - HA    LYS+  38   4.97 +/- 0.28   5.908% *  0.2462% (0.80   0.02   0.02) =   0.018%
          QG2   THR   39 - HA    LYS+  38   5.84 +/- 0.03   2.054% *  0.2757% (0.90   0.02  15.59) =   0.007%
        T HG3   LYS+  99 - HA    LYS+  38   6.69 +/- 0.87   1.245% *  0.1154% (0.38   0.02   0.02) =   0.002%
        T HG3   LYS+  38 - HA    GLU- 100   5.86 +/- 1.19   2.340% *  0.0186% (0.06   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HA    GLU- 100   4.98 +/- 0.30   6.144% *  0.0070% (0.02   0.02  40.20) =   0.001%
          QB    ALA   34 - HA    GLU- 100   6.66 +/- 0.63   1.180% *  0.0149% (0.05   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    GLU- 100   7.75 +/- 0.73   0.497% *  0.0167% (0.05   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+  38  10.24 +/- 0.56   0.080% *  0.0949% (0.31   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  38  16.62 +/- 0.44   0.004% *  0.1741% (0.57   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  38  20.15 +/- 0.28   0.001% *  0.2908% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    LYS+  38  20.05 +/- 0.23   0.001% *  0.1378% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  38  19.97 +/- 0.84   0.001% *  0.1049% (0.34   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  38  23.42 +/- 0.79   0.001% *  0.2757% (0.90   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    GLU- 100  12.79 +/- 0.97   0.023% *  0.0057% (0.02   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    GLU- 100  19.68 +/- 0.32   0.001% *  0.0176% (0.06   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    GLU- 100  18.90 +/- 0.91   0.002% *  0.0105% (0.03   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    GLU- 100  22.09 +/- 1.02   0.001% *  0.0167% (0.05   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    GLU- 100  20.96 +/- 0.76   0.001% *  0.0083% (0.03   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    GLU- 100  20.54 +/- 1.19   0.001% *  0.0063% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.08 A, kept.
 
    Peak 352 (1.67, 3.78, 58.04 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 209.7:
    *   T QD    LYS+  38 - HA    LYS+  38   3.71 +/- 0.14  81.140% * 97.9437% (1.00   5.75 209.68) =  99.995%  kept
        T QD    LYS+  38 - HA    GLU- 100   5.09 +/- 0.94  17.731% *  0.0206% (0.06   0.02   0.02) =   0.005%
          QD    LYS+ 102 - HA    LYS+  38  11.31 +/- 1.30   0.117% *  0.2730% (0.80   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    GLU- 100   7.83 +/- 0.55   0.965% *  0.0165% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  38  18.33 +/- 1.04   0.006% *  0.3058% (0.90   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    LYS+  38  19.55 +/- 0.61   0.004% *  0.3290% (0.97   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+  38  20.20 +/- 0.89   0.003% *  0.3147% (0.92   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+  38  21.45 +/- 1.04   0.002% *  0.1930% (0.57   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    LYS+  38  20.19 +/- 0.46   0.003% *  0.1163% (0.34   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    GLU- 100  16.60 +/- 1.01   0.011% *  0.0185% (0.05   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  38  26.87 +/- 0.34   0.001% *  0.2068% (0.61   0.02   0.02) =   0.000%
        T HB    VAL   83 - HA    GLU- 100  19.18 +/- 0.91   0.005% *  0.0199% (0.06   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    GLU- 100  21.53 +/- 0.88   0.002% *  0.0190% (0.06   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  38  26.99 +/- 0.28   0.001% *  0.0759% (0.22   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    GLU- 100  20.69 +/- 0.93   0.003% *  0.0117% (0.03   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  38  29.81 +/- 0.71   0.000% *  0.1052% (0.31   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HA    GLU- 100  20.61 +/- 0.77   0.003% *  0.0070% (0.02   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    GLU- 100  26.04 +/- 0.49   0.001% *  0.0125% (0.04   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    GLU- 100  25.61 +/- 0.55   0.001% *  0.0046% (0.01   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    GLU- 100  27.95 +/- 0.86   0.000% *  0.0064% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.06 A, kept.
 
    Peak 353 (3.78, 2.18, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 209.7:
    * O T HA    LYS+  38 - HB2   LYS+  38   2.84 +/- 0.29  96.757% * 99.5673% (1.00   5.62 209.68) =  99.997%  kept
        T HA    GLU- 100 - HB2   LYS+  38   5.65 +/- 1.39   3.242% *  0.0789% (0.22   0.02   0.02) =   0.003%
          HA    VAL   24 - HB2   LYS+  38  20.88 +/- 0.29   0.001% *  0.2291% (0.65   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   LYS+  38  22.21 +/- 0.88   0.000% *  0.0701% (0.20   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   LYS+  38  28.83 +/- 0.37   0.000% *  0.0547% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 354 (2.18, 2.18, 29.57 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  38 - HB2   LYS+  38  (1.00)  kept
 
    Peak 355 (1.88, 2.18, 29.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 209.7:
    * O T HB3   LYS+  38 - HB2   LYS+  38   1.75 +/- 0.00  99.996% * 97.4574% (1.00   5.00 209.68) = 100.000%  kept
          QB    LYS+  33 - HB2   LYS+  38   9.85 +/- 0.62   0.003% *  0.1603% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   LYS+  38  14.41 +/- 0.44   0.000% *  0.3688% (0.95   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LYS+  38  15.86 +/- 1.03   0.000% *  0.0972% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   LYS+  38  18.37 +/- 0.64   0.000% *  0.2364% (0.61   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LYS+  38  15.90 +/- 1.36   0.000% *  0.0868% (0.22   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LYS+  38  17.27 +/- 0.63   0.000% *  0.1203% (0.31   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LYS+  38  28.06 +/- 0.42   0.000% *  0.3762% (0.97   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LYS+  38  26.01 +/- 0.62   0.000% *  0.2207% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   LYS+  38  27.32 +/- 0.53   0.000% *  0.2522% (0.65   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   LYS+  38  30.29 +/- 0.49   0.000% *  0.3256% (0.84   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB2   LYS+  38  29.11 +/- 0.83   0.000% *  0.1898% (0.49   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LYS+  38  33.50 +/- 0.55   0.000% *  0.1084% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 356 (1.32, 2.18, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 209.7:
    * O T HG2   LYS+  38 - HB2   LYS+  38   2.70 +/- 0.23  99.392% * 98.0735% (1.00   5.62 209.68) =  99.998%  kept
        T HG2   LYS+  99 - HB2   LYS+  38   6.87 +/- 0.84   0.583% *  0.3419% (0.98   0.02   0.02) =   0.002%
          HB2   LEU   31 - HB2   LYS+  38  13.16 +/- 0.34   0.008% *  0.2533% (0.73   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+  38  13.06 +/- 1.09   0.013% *  0.0538% (0.15   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  38  19.88 +/- 0.75   0.001% *  0.2913% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  38  19.46 +/- 0.52   0.001% *  0.1564% (0.45   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  38  17.48 +/- 1.37   0.002% *  0.0777% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  38  20.24 +/- 0.68   0.001% *  0.1190% (0.34   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  38  22.04 +/- 0.39   0.000% *  0.1564% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  38  23.57 +/- 0.64   0.000% *  0.1975% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  38  30.22 +/- 0.55   0.000% *  0.2793% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 357 (1.26, 2.18, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.42, residual support = 209.7:
    * O T HG3   LYS+  38 - HB2   LYS+  38   2.78 +/- 0.34  97.785% * 97.9835% (1.00   5.42 209.68) =  99.994%  kept
          QG2   THR   39 - HB2   LYS+  38   6.00 +/- 0.27   1.174% *  0.3241% (0.90   0.02  15.59) =   0.004%
          QB    ALA   34 - HB2   LYS+  38   6.94 +/- 0.19   0.472% *  0.2894% (0.80   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HB2   LYS+  38   7.34 +/- 0.95   0.543% *  0.1356% (0.38   0.02   0.02) =   0.001%
          HG    LEU   71 - HB2   LYS+  38  11.69 +/- 0.66   0.023% *  0.1115% (0.31   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  38  18.23 +/- 0.65   0.002% *  0.2046% (0.57   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  38  21.79 +/- 0.35   0.001% *  0.3418% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HB2   LYS+  38  22.07 +/- 0.16   0.000% *  0.1620% (0.45   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  38  25.48 +/- 1.00   0.000% *  0.3241% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  38  22.15 +/- 0.98   0.000% *  0.1233% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 359 (3.78, 1.88, 29.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 209.7:
    * O T HA    LYS+  38 - HB3   LYS+  38   2.65 +/- 0.25  95.975% * 99.5673% (1.00   5.62 209.68) =  99.997%  kept
        T HA    GLU- 100 - HB3   LYS+  38   5.02 +/- 1.20   4.024% *  0.0789% (0.22   0.02   0.02) =   0.003%
          HA    VAL   24 - HB3   LYS+  38  20.85 +/- 0.36   0.000% *  0.2291% (0.65   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   LYS+  38  21.95 +/- 0.82   0.000% *  0.0701% (0.20   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB3   LYS+  38  28.66 +/- 0.30   0.000% *  0.0547% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 360 (2.18, 1.88, 29.57 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 209.7:
    * O T HB2   LYS+  38 - HB3   LYS+  38   1.75 +/- 0.00  99.999% * 99.0563% (1.00   5.00 209.68) = 100.000%  kept
          HB    VAL   70 - HB3   LYS+  38  12.25 +/- 1.04   0.001% *  0.0784% (0.20   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   LYS+  38  18.68 +/- 0.50   0.000% *  0.2877% (0.73   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   LYS+  38  17.42 +/- 0.46   0.000% *  0.1352% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   LYS+  38  17.83 +/- 1.20   0.000% *  0.0988% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   LYS+  38  22.91 +/- 0.48   0.000% *  0.1352% (0.34   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB3   LYS+  38  28.96 +/- 0.83   0.000% *  0.2085% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 361 (1.88, 1.88, 29.57 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  38 - HB3   LYS+  38  (1.00)  kept
 
    Peak 362 (1.32, 1.88, 29.57 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 209.7:
    * O T HG2   LYS+  38 - HB3   LYS+  38   2.94 +/- 0.14  98.715% * 98.0735% (1.00   5.62 209.68) =  99.996%  kept
        T HG2   LYS+  99 - HB3   LYS+  38   6.33 +/- 0.63   1.242% *  0.3419% (0.98   0.02   0.02) =   0.004%
          HB2   LEU   31 - HB3   LYS+  38  13.16 +/- 0.37   0.013% *  0.2533% (0.73   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+  38  12.59 +/- 1.25   0.022% *  0.0538% (0.15   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  38  19.47 +/- 1.02   0.001% *  0.2913% (0.84   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  38  17.30 +/- 1.38   0.003% *  0.0777% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  38  19.28 +/- 0.45   0.001% *  0.1564% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  38  20.01 +/- 0.65   0.001% *  0.1190% (0.34   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  38  21.82 +/- 0.52   0.001% *  0.1564% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  38  23.43 +/- 0.71   0.000% *  0.1975% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  38  29.77 +/- 0.52   0.000% *  0.2793% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 5.42, residual support = 209.7:
    * O T HG3   LYS+  38 - HB3   LYS+  38   2.65 +/- 0.26  98.393% * 97.9835% (1.00   5.42 209.68) =  99.996%  kept
          QG2   THR   39 - HB3   LYS+  38   6.10 +/- 0.28   0.715% *  0.3241% (0.90   0.02  15.59) =   0.002%
          QB    ALA   34 - HB3   LYS+  38   6.93 +/- 0.25   0.390% *  0.2894% (0.80   0.02   0.02) =   0.001%
        T HG3   LYS+  99 - HB3   LYS+  38   6.80 +/- 0.63   0.485% *  0.1356% (0.38   0.02   0.02) =   0.001%
          HG    LEU   71 - HB3   LYS+  38  11.83 +/- 0.81   0.014% *  0.1115% (0.31   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   LYS+  38  18.45 +/- 0.51   0.001% *  0.2046% (0.57   0.02   0.02) =   0.000%
        T QG2   ILE   56 - HB3   LYS+  38  21.57 +/- 0.31   0.000% *  0.3418% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HB3   LYS+  38  22.11 +/- 0.23   0.000% *  0.1620% (0.45   0.02   0.02) =   0.000%
          QB    ALA   91 - HB3   LYS+  38  25.16 +/- 0.77   0.000% *  0.3241% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB3   LYS+  38  22.07 +/- 0.97   0.000% *  0.1233% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 364 (1.67, 1.88, 29.57 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 209.7:
    * O T QD    LYS+  38 - HB3   LYS+  38   2.38 +/- 0.21  99.989% * 97.6267% (1.00   4.63 209.68) = 100.000%  kept
          QD    LYS+ 102 - HB3   LYS+  38  11.68 +/- 1.46   0.009% *  0.3375% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB3   LYS+  38  18.71 +/- 1.20   0.001% *  0.3780% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+  38  20.94 +/- 0.88   0.000% *  0.3891% (0.92   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+  38  22.07 +/- 0.66   0.000% *  0.4068% (0.97   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LYS+  38  21.42 +/- 1.14   0.000% *  0.2386% (0.57   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB3   LYS+  38  22.26 +/- 0.45   0.000% *  0.1438% (0.34   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+  38  28.72 +/- 0.51   0.000% *  0.2556% (0.61   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LYS+  38  28.90 +/- 0.52   0.000% *  0.0938% (0.22   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LYS+  38  31.10 +/- 0.92   0.000% *  0.1301% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 365 (3.78, 1.32, 25.69 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.63, residual support = 209.7:
    * O T HA    LYS+  38 - HG2   LYS+  38   2.67 +/- 0.30  93.906% * 99.4516% (1.00   6.63 209.68) =  99.997%  kept
        T HA    GLU- 100 - HG2   LYS+  38   5.82 +/- 1.10   1.475% *  0.0668% (0.22   0.02   0.02) =   0.001%
        T HA    LYS+  38 - HG2   LYS+  99   6.09 +/- 0.78   1.106% *  0.0818% (0.27   0.02   0.02) =   0.001%
        T HA    GLU- 100 - HG2   LYS+  99   4.74 +/- 0.35   3.510% *  0.0182% (0.06   0.02  40.20) =   0.001%
          HA    VAL   24 - HG2   LYS+  38  19.51 +/- 0.49   0.001% *  0.1941% (0.65   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   LYS+  99  20.34 +/- 0.77   0.001% *  0.0529% (0.18   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  38  20.92 +/- 0.97   0.000% *  0.0594% (0.20   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   LYS+  99  20.29 +/- 0.58   0.001% *  0.0162% (0.05   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  38  29.73 +/- 0.32   0.000% *  0.0463% (0.15   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   LYS+  99  24.14 +/- 0.54   0.000% *  0.0126% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 366 (2.18, 1.32, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 209.7:
    * O T HB2   LYS+  38 - HG2   LYS+  38   2.70 +/- 0.23  99.253% * 98.8388% (1.00   5.62 209.68) =  99.999%  kept
        T HB2   LYS+  38 - HG2   LYS+  99   6.87 +/- 0.84   0.582% *  0.0958% (0.27   0.02   0.02) =   0.001%
          HB    VAL   70 - HG2   LYS+  99   8.92 +/- 1.17   0.147% *  0.0190% (0.05   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  38  16.77 +/- 0.51   0.002% *  0.2553% (0.73   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   LYS+  38  13.79 +/- 0.91   0.007% *  0.0696% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  38  15.71 +/- 0.42   0.003% *  0.1199% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  38  18.10 +/- 1.41   0.001% *  0.0877% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  38  21.16 +/- 0.47   0.001% *  0.1199% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   LYS+  99  16.89 +/- 1.24   0.002% *  0.0239% (0.07   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG2   LYS+  99  20.30 +/- 0.88   0.001% *  0.0696% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG2   LYS+  99  18.99 +/- 0.75   0.001% *  0.0327% (0.09   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  38  28.71 +/- 0.93   0.000% *  0.1849% (0.53   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG2   LYS+  99  25.41 +/- 0.46   0.000% *  0.0504% (0.14   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   LYS+  99  23.69 +/- 0.88   0.000% *  0.0327% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 367 (1.88, 1.32, 25.69 ppm):
    26 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 209.7:
    * O T HB3   LYS+  38 - HG2   LYS+  38   2.94 +/- 0.14  98.456% * 97.0414% (1.00   5.62 209.68) =  99.998%  kept
        T HB3   LYS+  38 - HG2   LYS+  99   6.33 +/- 0.63   1.239% *  0.0941% (0.27   0.02   0.02) =   0.001%
          QB    LYS+  33 - HG2   LYS+  38   8.95 +/- 0.37   0.130% *  0.1419% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  38  13.51 +/- 0.47   0.011% *  0.3265% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  99  10.69 +/- 0.32   0.044% *  0.0290% (0.08   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  99  10.52 +/- 0.34   0.049% *  0.0235% (0.07   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   LYS+  99  12.25 +/- 0.81   0.021% *  0.0387% (0.11   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  99  13.00 +/- 0.36   0.014% *  0.0570% (0.17   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  99  14.56 +/- 0.72   0.007% *  0.0890% (0.26   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  99  13.66 +/- 1.93   0.017% *  0.0209% (0.06   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  38  16.08 +/- 0.87   0.004% *  0.0861% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   LYS+  38  18.78 +/- 0.57   0.001% *  0.2093% (0.61   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  38  17.83 +/- 1.18   0.002% *  0.0768% (0.22   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  38  18.42 +/- 0.48   0.002% *  0.1065% (0.31   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  38  25.03 +/- 0.76   0.000% *  0.1954% (0.57   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  99  22.83 +/- 0.41   0.000% *  0.0908% (0.26   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  38  28.72 +/- 0.43   0.000% *  0.3331% (0.97   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  99  22.53 +/- 0.66   0.001% *  0.0608% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  38  28.54 +/- 0.45   0.000% *  0.2233% (0.65   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  38  30.33 +/- 0.69   0.000% *  0.2883% (0.84   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  38  28.57 +/- 0.81   0.000% *  0.1680% (0.49   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  99  25.21 +/- 0.51   0.000% *  0.0786% (0.23   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG2   LYS+  99  23.81 +/- 0.44   0.000% *  0.0533% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  99  25.05 +/- 0.67   0.000% *  0.0458% (0.13   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  38  34.01 +/- 0.57   0.000% *  0.0960% (0.28   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  99  29.03 +/- 0.60   0.000% *  0.0262% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 6.46, residual support = 206.1:
    * O T HG3   LYS+  38 - HG2   LYS+  38   1.75 +/- 0.00  49.949% * 88.6672% (1.00   6.44 209.68) =  90.479%  kept
      O T HG3   LYS+  99 - HG2   LYS+  99   1.75 +/- 0.00  49.949% *  9.3304% (0.10   6.62 171.63) =   9.521%  kept
          QB    ALA   34 - HG2   LYS+  38   6.57 +/- 0.34   0.019% *  0.2205% (0.80   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  99   5.70 +/- 0.55   0.050% *  0.0673% (0.24   0.02   0.02) =   0.000%
          QG2   THR   39 - HG2   LYS+  38   7.34 +/- 0.09   0.009% *  0.2470% (0.90   0.02  15.59) =   0.000%
          QB    ALA   34 - HG2   LYS+  99   7.08 +/- 0.62   0.014% *  0.0601% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HG2   LYS+  99   8.29 +/- 0.86   0.006% *  0.0751% (0.27   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+  38   8.88 +/- 0.75   0.003% *  0.1034% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  38  11.87 +/- 0.68   0.001% *  0.0850% (0.31   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+  99  11.72 +/- 1.00   0.001% *  0.0232% (0.08   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  38  18.09 +/- 0.50   0.000% *  0.1559% (0.57   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  99  17.67 +/- 0.33   0.000% *  0.0710% (0.26   0.02   0.02) =   0.000%
          QG2   ILE   56 - HG2   LYS+  38  22.26 +/- 0.37   0.000% *  0.2605% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  38  20.96 +/- 0.33   0.000% *  0.1235% (0.45   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+  99  17.99 +/- 0.89   0.000% *  0.0425% (0.15   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  38  25.31 +/- 0.84   0.000% *  0.2470% (0.90   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  38  22.12 +/- 0.82   0.000% *  0.0939% (0.34   0.02   0.02) =   0.000%
          QB    ALA   91 - HG2   LYS+  99  21.50 +/- 0.91   0.000% *  0.0673% (0.24   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+  99  19.22 +/- 1.55   0.000% *  0.0256% (0.09   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   LYS+  99  21.86 +/- 0.62   0.000% *  0.0337% (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 = 209.7:
    * O T QD    LYS+  38 - HG2   LYS+  38   2.39 +/- 0.12  99.791% * 97.4779% (1.00   5.75 209.68) = 100.000%  kept
        T QD    LYS+  38 - HG2   LYS+  99   7.38 +/- 0.55   0.133% *  0.0924% (0.27   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  99   8.82 +/- 1.30   0.060% *  0.0740% (0.22   0.02   1.21) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  38  12.50 +/- 1.59   0.006% *  0.2715% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  99  12.66 +/- 1.07   0.006% *  0.0829% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  38  20.82 +/- 1.07   0.000% *  0.3041% (0.90   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  38  21.08 +/- 0.79   0.000% *  0.3272% (0.97   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  99  16.18 +/- 0.96   0.001% *  0.0523% (0.15   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  38  21.98 +/- 0.99   0.000% *  0.3130% (0.92   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  99  18.55 +/- 0.87   0.000% *  0.0853% (0.25   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  99  20.42 +/- 0.59   0.000% *  0.0892% (0.26   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  38  23.75 +/- 1.04   0.000% *  0.1920% (0.57   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  38  22.41 +/- 0.50   0.000% *  0.1157% (0.34   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  99  19.14 +/- 0.59   0.000% *  0.0315% (0.09   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  38  29.35 +/- 0.53   0.000% *  0.2057% (0.61   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  99  24.05 +/- 0.57   0.000% *  0.0561% (0.17   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  38  29.43 +/- 0.52   0.000% *  0.0755% (0.22   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  99  25.29 +/- 0.92   0.000% *  0.0285% (0.08   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  99  24.15 +/- 0.52   0.000% *  0.0206% (0.06   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  38  32.40 +/- 0.81   0.000% *  0.1047% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 6.39, residual support = 209.7:
    * O T HA    LYS+  38 - HG3   LYS+  38   3.02 +/- 0.57  88.730% * 99.5468% (1.00   6.39 209.68) =  99.997%  kept
        T HA    GLU- 100 - HG3   LYS+  38   5.86 +/- 1.19   2.609% *  0.0694% (0.22   0.02   0.02) =   0.002%
        T HA    GLU- 100 - HG3   LYS+  99   4.98 +/- 0.30   7.207% *  0.0072% (0.02   0.02  40.20) =   0.001%
        T HA    LYS+  38 - HG3   LYS+  99   6.69 +/- 0.87   1.448% *  0.0325% (0.10   0.02   0.02) =   0.001%
          HA    VAL   24 - HG3   LYS+  38  20.13 +/- 0.58   0.001% *  0.2017% (0.65   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  38  21.48 +/- 1.07   0.001% *  0.0617% (0.20   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   LYS+  99  20.89 +/- 0.97   0.001% *  0.0210% (0.07   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   LYS+  99  20.65 +/- 0.69   0.001% *  0.0064% (0.02   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  38  29.95 +/- 0.48   0.000% *  0.0481% (0.15   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   LYS+  99  24.39 +/- 0.68   0.000% *  0.0050% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 372 (2.18, 1.26, 25.69 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.42, residual support = 209.7:
    * O T HB2   LYS+  38 - HG3   LYS+  38   2.78 +/- 0.34  99.315% * 99.0015% (1.00   5.42 209.68) = 100.000%  kept
        T HB2   LYS+  38 - HG3   LYS+  99   7.34 +/- 0.95   0.552% *  0.0381% (0.10   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  99   9.35 +/- 1.10   0.111% *  0.0075% (0.02   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   LYS+  38  13.86 +/- 0.98   0.009% *  0.0723% (0.20   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  38  17.43 +/- 0.45   0.002% *  0.2651% (0.73   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  38  16.37 +/- 0.52   0.003% *  0.1245% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  38  18.34 +/- 1.40   0.002% *  0.0910% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  38  21.80 +/- 0.54   0.001% *  0.1245% (0.34   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   LYS+  99  17.44 +/- 1.19   0.002% *  0.0095% (0.03   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HG3   LYS+  99  20.97 +/- 1.00   0.001% *  0.0277% (0.08   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  38  29.17 +/- 1.04   0.000% *  0.1921% (0.53   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HG3   LYS+  99  19.68 +/- 1.09   0.001% *  0.0130% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   90 - HG3   LYS+  99  25.60 +/- 0.67   0.000% *  0.0200% (0.05   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   LYS+  99  24.32 +/- 1.02   0.000% *  0.0130% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 5.42, residual support = 209.7:
    * O T HB3   LYS+  38 - HG3   LYS+  38   2.65 +/- 0.26  99.340% * 97.3756% (1.00   5.42 209.68) = 100.000%  kept
        T HB3   LYS+  38 - HG3   LYS+  99   6.80 +/- 0.63   0.491% *  0.0375% (0.10   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  38   9.42 +/- 0.41   0.062% *  0.1476% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  38  14.08 +/- 0.48   0.005% *  0.3397% (0.95   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  99  10.59 +/- 0.32   0.030% *  0.0116% (0.03   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  99  10.34 +/- 0.46   0.035% *  0.0093% (0.03   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   LYS+  38  16.24 +/- 1.08   0.002% *  0.0896% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  99  12.91 +/- 0.33   0.009% *  0.0227% (0.06   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   LYS+  38  18.95 +/- 0.87   0.001% *  0.2178% (0.61   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   LYS+  99  12.91 +/- 1.04   0.010% *  0.0154% (0.04   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   LYS+  99  15.24 +/- 0.93   0.003% *  0.0355% (0.10   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   LYS+  38  18.47 +/- 0.78   0.001% *  0.1108% (0.31   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  38  17.69 +/- 1.20   0.001% *  0.0800% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   LYS+  99  13.95 +/- 2.14   0.008% *  0.0083% (0.02   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  38  25.52 +/- 0.86   0.000% *  0.2033% (0.57   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  38  28.98 +/- 0.67   0.000% *  0.3466% (0.97   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  38  28.68 +/- 0.54   0.000% *  0.2323% (0.65   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  38  30.69 +/- 0.81   0.000% *  0.3000% (0.84   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  38  29.02 +/- 1.34   0.000% *  0.1748% (0.49   0.02   0.02) =   0.000%
        T HB    ILE   56 - HG3   LYS+  99  23.00 +/- 0.67   0.000% *  0.0362% (0.10   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG3   LYS+  99  22.73 +/- 0.69   0.000% *  0.0242% (0.07   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   LYS+  99  25.34 +/- 0.64   0.000% *  0.0313% (0.09   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   LYS+  99  24.12 +/- 0.59   0.000% *  0.0212% (0.06   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   LYS+  99  25.23 +/- 0.88   0.000% *  0.0182% (0.05   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  38  34.31 +/- 0.80   0.000% *  0.0999% (0.28   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG3   LYS+  99  29.34 +/- 1.05   0.000% *  0.0104% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 6.46, residual support = 206.1:
    * O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.993% * 88.9536% (1.00   6.44 209.68) =  90.479%  kept
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.993% *  9.3605% (0.10   6.62 171.63) =   9.521%  kept
        T HG2   LYS+  99 - HG3   LYS+  38   8.29 +/- 0.86   0.006% *  0.2708% (0.98   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG3   LYS+  99   8.88 +/- 0.75   0.003% *  0.0288% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.24 +/- 0.56   0.000% *  0.2006% (0.73   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   9.06 +/- 0.76   0.004% *  0.0044% (0.02   0.02  15.78) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  13.29 +/- 1.33   0.000% *  0.0426% (0.15   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  19.82 +/- 1.19   0.000% *  0.2308% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  14.48 +/- 1.09   0.000% *  0.0209% (0.08   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  20.77 +/- 0.51   0.000% *  0.1239% (0.45   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  16.18 +/- 0.66   0.000% *  0.0241% (0.09   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  19.21 +/- 1.36   0.000% *  0.0615% (0.22   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  13.58 +/- 1.08   0.000% *  0.0064% (0.02   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  15.08 +/- 0.71   0.000% *  0.0129% (0.05   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  20.95 +/- 0.65   0.000% *  0.0942% (0.34   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  22.13 +/- 0.67   0.000% *  0.1239% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  23.08 +/- 0.85   0.000% *  0.1564% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  16.33 +/- 1.04   0.000% *  0.0098% (0.04   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.11 +/- 0.57   0.000% *  0.0129% (0.05   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  31.13 +/- 0.86   0.000% *  0.2212% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  22.15 +/- 1.29   0.000% *  0.0163% (0.06   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.97 +/- 0.53   0.000% *  0.0231% (0.08   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 375 (1.26, 1.26, 25.69 ppm):
    2 diagonal assignments:
    *     HG3   LYS+  38 - HG3   LYS+  38  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.04)  kept
 
    Peak 376 (1.67, 1.26, 25.69 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.43, residual support = 209.7:
    * O T QD    LYS+  38 - HG3   LYS+  38   2.36 +/- 0.10  99.811% * 97.7248% (1.00   5.43 209.68) = 100.000%  kept
        T QD    LYS+  38 - HG3   LYS+  99   7.65 +/- 0.54   0.097% *  0.0376% (0.10   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  99   8.52 +/- 1.11   0.078% *  0.0301% (0.08   0.02   1.21) =   0.000%
          QD    LYS+ 102 - HG3   LYS+  38  12.47 +/- 1.31   0.006% *  0.2881% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  99  12.41 +/- 1.05   0.006% *  0.0337% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  38  20.73 +/- 1.23   0.000% *  0.3227% (0.90   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  38  21.66 +/- 0.92   0.000% *  0.3473% (0.97   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  38  22.08 +/- 0.97   0.000% *  0.3322% (0.92   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  99  16.05 +/- 0.92   0.001% *  0.0213% (0.06   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  38  23.61 +/- 1.17   0.000% *  0.2037% (0.57   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  38  22.81 +/- 0.64   0.000% *  0.1227% (0.34   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  99  18.92 +/- 0.85   0.000% *  0.0347% (0.10   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  99  20.85 +/- 0.77   0.000% *  0.0362% (0.10   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  38  29.68 +/- 0.64   0.000% *  0.2183% (0.61   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+  99  19.60 +/- 1.18   0.000% *  0.0128% (0.04   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  38  29.76 +/- 0.77   0.000% *  0.0801% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  99  24.25 +/- 0.61   0.000% *  0.0228% (0.06   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  38  32.57 +/- 0.98   0.000% *  0.1111% (0.31   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  99  25.21 +/- 0.80   0.000% *  0.0116% (0.03   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  99  24.29 +/- 0.67   0.000% *  0.0084% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 377 (3.78, 1.67, 29.90 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 209.6:
    *   T HA    LYS+  38 - QD    LYS+  38   3.71 +/- 0.14  81.700% * 99.2119% (1.00   5.75 209.68) =  99.983%  kept
        T HA    GLU- 100 - QD    LYS+  38   5.09 +/- 0.94  17.868% *  0.0769% (0.22   0.02   0.02) =   0.017%
          HA    VAL   24 - HD2   LYS+  74  12.42 +/- 1.07   0.070% *  0.0490% (0.14   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   LYS+  74  11.16 +/- 0.80   0.126% *  0.0117% (0.03   0.02   0.02) =   0.000%
        T HD2   PRO   58 - QD    LYS+  65  11.01 +/- 0.88   0.148% *  0.0097% (0.03   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  38  19.32 +/- 0.47   0.004% *  0.2234% (0.65   0.02   0.02) =   0.000%
        T HA    VAL   83 - HD2   LYS+  74  14.66 +/- 1.25   0.025% *  0.0150% (0.04   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+  74  20.19 +/- 0.46   0.003% *  0.0757% (0.22   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  38  20.10 +/- 0.86   0.003% *  0.0683% (0.20   0.02   0.02) =   0.000%
        T HA    LYS+  38 - QD    LYS+  65  20.20 +/- 0.89   0.003% *  0.0631% (0.18   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD2   LYS+ 111  13.53 +/- 0.70   0.037% *  0.0040% (0.01   0.02   0.02) =   0.000%
          HA    VAL   24 - QD    LYS+  65  21.52 +/- 1.23   0.002% *  0.0408% (0.12   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+  74  20.61 +/- 0.77   0.003% *  0.0169% (0.05   0.02   0.02) =   0.000%
        T HA    GLU- 100 - QD    LYS+  65  21.53 +/- 0.88   0.002% *  0.0140% (0.04   0.02   0.02) =   0.000%
        T HD2   PRO   58 - QD    LYS+  38  27.65 +/- 0.23   0.000% *  0.0533% (0.15   0.02   0.02) =   0.000%
        T HA    VAL   83 - QD    LYS+  65  24.53 +/- 0.86   0.001% *  0.0125% (0.04   0.02   0.02) =   0.000%
          HA    VAL   24 - HD2   LYS+ 111  27.28 +/- 0.99   0.001% *  0.0168% (0.05   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HD2   LYS+ 111  29.81 +/- 0.71   0.000% *  0.0260% (0.08   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   LYS+ 111  24.45 +/- 1.12   0.001% *  0.0051% (0.01   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD2   LYS+ 111  27.95 +/- 0.86   0.000% *  0.0058% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 378 (2.18, 1.67, 29.90 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 209.7:
    * O   HB2   LYS+  38 - QD    LYS+  38   2.63 +/- 0.34  95.246% * 98.3042% (1.00   4.63 209.68) =  99.999%  kept
          QG    GLN   17 - QD    LYS+  65   6.45 +/- 1.66   4.627% *  0.0193% (0.05   0.02   0.02) =   0.001%
          QG    GLN   17 - HD2   LYS+  74  10.24 +/- 1.31   0.054% *  0.0232% (0.05   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  38  13.19 +/- 0.92   0.009% *  0.0840% (0.20   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  38  17.09 +/- 0.57   0.002% *  0.3082% (0.73   0.02   0.02) =   0.000%
          HB    VAL   70 - QD    LYS+  65  10.72 +/- 0.92   0.032% *  0.0153% (0.04   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  38  16.20 +/- 0.52   0.002% *  0.1448% (0.34   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+  74  14.82 +/- 1.87   0.005% *  0.0490% (0.12   0.02   0.02) =   0.000%
          QG    GLN   17 - QD    LYS+  38  17.63 +/- 1.20   0.002% *  0.1058% (0.25   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+  74  13.65 +/- 1.13   0.008% *  0.0184% (0.04   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+  74  16.57 +/- 0.84   0.002% *  0.0676% (0.16   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+  74  15.42 +/- 0.62   0.003% *  0.0317% (0.07   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  38  20.97 +/- 0.51   0.001% *  0.1448% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+  74  15.99 +/- 0.70   0.002% *  0.0317% (0.07   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QD    LYS+  65  20.85 +/- 1.03   0.001% *  0.0775% (0.18   0.02   0.02) =   0.000%
          HB2   GLN   90 - HD2   LYS+ 111  17.80 +/- 1.82   0.002% *  0.0168% (0.04   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+  74  22.35 +/- 0.41   0.000% *  0.0931% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  38  26.82 +/- 0.84   0.000% *  0.2233% (0.53   0.02   0.02) =   0.000%
          HG3   GLU-  29 - QD    LYS+  65  21.91 +/- 1.65   0.000% *  0.0563% (0.13   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QD    LYS+  65  19.92 +/- 1.11   0.001% *  0.0264% (0.06   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QD    LYS+  65  23.14 +/- 1.22   0.000% *  0.0264% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   90 - QD    LYS+  65  25.11 +/- 1.19   0.000% *  0.0408% (0.10   0.02   0.02) =   0.000%
          HB    VAL   70 - HD2   LYS+ 111  22.47 +/- 0.79   0.000% *  0.0063% (0.01   0.02   0.02) =   0.000%
          QG    GLN   17 - HD2   LYS+ 111  23.78 +/- 0.81   0.000% *  0.0080% (0.02   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HD2   LYS+ 111  31.55 +/- 0.76   0.000% *  0.0319% (0.08   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HD2   LYS+ 111  32.95 +/- 1.08   0.000% *  0.0232% (0.05   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HD2   LYS+ 111  32.15 +/- 1.22   0.000% *  0.0109% (0.03   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HD2   LYS+ 111  32.45 +/- 0.84   0.000% *  0.0109% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 379 (1.88, 1.67, 29.90 ppm):
    52 chemical-shift based assignments, quality = 1.0, support = 4.63, residual support = 209.7:
    * O T HB3   LYS+  38 - QD    LYS+  38   2.38 +/- 0.21  99.712% * 95.8167% (1.00   4.63 209.68) = 100.000%  kept
          QB    LYS+  33 - QD    LYS+  38   9.91 +/- 0.57   0.022% *  0.1701% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  65   9.08 +/- 0.83   0.056% *  0.0489% (0.12   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+  74  10.39 +/- 0.51   0.017% *  0.0875% (0.21   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   LYS+ 111   9.23 +/- 0.62   0.035% *  0.0300% (0.07   0.02   2.30) =   0.000%
          HB3   GLN   30 - QD    LYS+  38  14.13 +/- 0.50   0.003% *  0.3913% (0.95   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  65   9.27 +/- 1.73   0.059% *  0.0168% (0.04   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+  74  11.44 +/- 0.39   0.010% *  0.0858% (0.21   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+ 111  10.59 +/- 1.45   0.023% *  0.0260% (0.06   0.02   0.02) =   0.000%
          HB2   MET   92 - HD2   LYS+  74  13.28 +/- 1.03   0.005% *  0.0758% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+  74  12.99 +/- 0.95   0.005% *  0.0587% (0.14   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  38  14.41 +/- 0.88   0.002% *  0.1032% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  38  17.11 +/- 0.55   0.001% *  0.2509% (0.61   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+  74  13.63 +/- 1.20   0.004% *  0.0514% (0.12   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   LYS+  74  13.56 +/- 0.80   0.004% *  0.0550% (0.13   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HD2   LYS+ 111  11.43 +/- 0.67   0.010% *  0.0189% (0.05   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  65  14.76 +/- 0.79   0.002% *  0.0729% (0.18   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+  74  12.75 +/- 0.94   0.006% *  0.0252% (0.06   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+  74  14.82 +/- 1.79   0.003% *  0.0442% (0.11   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  38  16.66 +/- 0.40   0.001% *  0.1277% (0.31   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  38  16.41 +/- 1.34   0.001% *  0.0921% (0.22   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   LYS+  74  14.63 +/- 0.38   0.002% *  0.0373% (0.09   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  65  16.63 +/- 1.28   0.001% *  0.0715% (0.17   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD2   LYS+ 111  14.41 +/- 0.74   0.002% *  0.0201% (0.05   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+  74  15.33 +/- 0.67   0.002% *  0.0280% (0.07   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  65  15.83 +/- 1.07   0.001% *  0.0311% (0.08   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  65  15.66 +/- 0.95   0.002% *  0.0210% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  38  23.70 +/- 0.68   0.000% *  0.2342% (0.57   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  65  18.23 +/- 0.49   0.001% *  0.0458% (0.11   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  38  26.67 +/- 0.34   0.000% *  0.3992% (0.97   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  65  16.79 +/- 0.47   0.001% *  0.0233% (0.06   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   LYS+ 111  14.78 +/- 0.76   0.002% *  0.0096% (0.02   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   LYS+ 111  17.05 +/- 2.10   0.001% *  0.0152% (0.04   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QD    LYS+  65  20.94 +/- 0.88   0.000% *  0.0756% (0.18   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HD2   LYS+ 111  15.02 +/- 1.56   0.002% *  0.0087% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  38  26.40 +/- 0.37   0.000% *  0.2676% (0.65   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+  74  22.26 +/- 0.45   0.000% *  0.0907% (0.22   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  65  21.60 +/- 0.95   0.000% *  0.0631% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  38  28.13 +/- 0.60   0.000% *  0.3455% (0.84   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+  74  18.23 +/- 0.72   0.001% *  0.0226% (0.05   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  38  26.66 +/- 0.74   0.000% *  0.2014% (0.49   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+  74  18.42 +/- 1.02   0.001% *  0.0202% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  65  23.29 +/- 0.84   0.000% *  0.0428% (0.10   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD2   LYS+ 111  21.25 +/- 1.29   0.000% *  0.0176% (0.04   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  65  24.95 +/- 1.07   0.000% *  0.0368% (0.09   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  65  22.47 +/- 0.54   0.000% *  0.0188% (0.05   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   LYS+ 111  19.46 +/- 0.93   0.000% *  0.0078% (0.02   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  38  31.66 +/- 0.47   0.000% *  0.1150% (0.28   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   LYS+ 111  27.11 +/- 0.81   0.000% *  0.0295% (0.07   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HD2   LYS+ 111  31.10 +/- 0.92   0.000% *  0.0311% (0.08   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   LYS+ 111  25.99 +/- 2.03   0.000% *  0.0069% (0.02   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   LYS+ 111  28.02 +/- 0.64   0.000% *  0.0128% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 0.978, support = 5.62, residual support = 205.1:
    * O T HG2   LYS+  38 - QD    LYS+  38   2.39 +/- 0.12  72.279% * 91.3336% (1.00   5.75 209.68) =  97.828%  kept
      O T HG2   LYS+ 111 - HD2   LYS+ 111   2.88 +/- 0.09  24.656% *  5.9417% (0.06   6.21 313.41) =   2.171%
          HB3   ASP-  44 - HD2   LYS+  74   4.73 +/- 0.90   2.659% *  0.0238% (0.07   0.02   6.00) =   0.001%
        T HG2   LYS+  99 - QD    LYS+  38   7.38 +/- 0.55   0.095% *  0.3114% (0.98   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+  74   6.87 +/- 1.08   0.203% *  0.0312% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.50 +/- 0.49   0.041% *  0.0260% (0.08   0.02   1.23) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.28 +/- 0.47   0.004% *  0.2307% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+  74   9.81 +/- 0.94   0.018% *  0.0312% (0.10   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+  74  10.78 +/- 1.60   0.013% *  0.0394% (0.12   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  12.40 +/- 1.18   0.006% *  0.0490% (0.15   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+  74  13.43 +/- 1.09   0.003% *  0.0582% (0.18   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  18.04 +/- 0.81   0.000% *  0.2654% (0.84   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.21 +/- 0.82   0.005% *  0.0198% (0.06   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+  74  14.94 +/- 0.72   0.001% *  0.0506% (0.16   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  17.03 +/- 1.27   0.001% *  0.0707% (0.22   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  14.05 +/- 1.07   0.002% *  0.0200% (0.06   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  19.36 +/- 0.38   0.000% *  0.1424% (0.45   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.13 +/- 0.66   0.003% *  0.0129% (0.04   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HD2   LYS+  74  17.14 +/- 0.69   0.001% *  0.0558% (0.18   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  13.53 +/- 1.03   0.003% *  0.0107% (0.03   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  20.60 +/- 0.50   0.000% *  0.1424% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.72 +/- 0.60   0.000% *  0.1084% (0.34   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  21.81 +/- 0.69   0.000% *  0.1799% (0.57   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+  74  13.91 +/- 1.21   0.002% *  0.0108% (0.03   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  16.22 +/- 0.74   0.001% *  0.0260% (0.08   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  18.55 +/- 0.87   0.000% *  0.0569% (0.18   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+  74  19.14 +/- 0.59   0.000% *  0.0683% (0.21   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  20.56 +/- 0.87   0.000% *  0.0485% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  20.56 +/- 1.23   0.000% *  0.0421% (0.13   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  15.63 +/- 1.04   0.001% *  0.0082% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  16.27 +/- 0.65   0.001% *  0.0107% (0.03   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+  74  22.41 +/- 0.50   0.000% *  0.0697% (0.22   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  21.09 +/- 0.79   0.000% *  0.0465% (0.15   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.98 +/- 0.99   0.000% *  0.0580% (0.18   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  28.18 +/- 0.41   0.000% *  0.2544% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  21.57 +/- 1.30   0.000% *  0.0329% (0.10   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+  74  20.51 +/- 0.58   0.000% *  0.0155% (0.05   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  19.08 +/- 0.91   0.000% *  0.0090% (0.03   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.85 +/- 1.35   0.000% *  0.0053% (0.02   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  25.29 +/- 0.92   0.000% *  0.0234% (0.07   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  23.75 +/- 1.59   0.000% *  0.0135% (0.04   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.64 +/- 1.43   0.000% *  0.0037% (0.01   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  28.50 +/- 1.02   0.000% *  0.0174% (0.05   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  32.40 +/- 0.81   0.000% *  0.0239% (0.08   0.02   0.02) =   0.000%
    Distance limit 2.62 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 = 0.968, support = 5.44, residual support = 208.3:
    * O T HG3   LYS+  38 - QD    LYS+  38   2.36 +/- 0.10  67.466% * 90.2385% (1.00   5.43 209.68) =  96.497%  kept
      O T HG2   LYS+  74 - HD2   LYS+  74   2.70 +/- 0.22  32.074% *  6.8888% (0.07   5.54 170.13) =   3.502%  kept
          QG2   THR   39 - QD    LYS+  38   7.31 +/- 0.30   0.082% *  0.2980% (0.90   0.02  15.59) =   0.000%
          QB    ALA   34 - QD    LYS+  38   7.42 +/- 0.33   0.077% *  0.2661% (0.80   0.02   0.02) =   0.000%
          QG2   ILE   56 - HD2   LYS+  74   6.70 +/- 0.42   0.142% *  0.0689% (0.21   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  38   7.65 +/- 0.54   0.064% *  0.1247% (0.38   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74   9.91 +/- 0.69   0.015% *  0.0413% (0.12   0.02   8.48) =   0.000%
          QG2   ILE   56 - HD2   LYS+ 111   9.19 +/- 0.48   0.022% *  0.0237% (0.07   0.02   2.30) =   0.000%
          HG    LEU   71 - QD    LYS+  38  12.38 +/- 0.78   0.004% *  0.1026% (0.31   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  65  11.37 +/- 0.68   0.006% *  0.0574% (0.17   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+ 111  11.02 +/- 1.64   0.013% *  0.0224% (0.07   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  12.34 +/- 0.96   0.003% *  0.0653% (0.20   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+  65  12.02 +/- 0.77   0.004% *  0.0544% (0.16   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+  74  12.19 +/- 0.36   0.004% *  0.0583% (0.18   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.70 +/- 1.35   0.006% *  0.0344% (0.10   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+  74  11.81 +/- 0.76   0.004% *  0.0327% (0.10   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  14.37 +/- 0.35   0.001% *  0.0653% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - QD    LYS+  65  14.01 +/- 0.98   0.002% *  0.0486% (0.15   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  12.93 +/- 1.91   0.004% *  0.0207% (0.06   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.73 +/- 0.89   0.003% *  0.0225% (0.07   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  18.10 +/- 0.59   0.000% *  0.1881% (0.57   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  12.78 +/- 1.21   0.003% *  0.0187% (0.06   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.82 +/- 0.29   0.000% *  0.3143% (0.95   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  38  20.39 +/- 0.35   0.000% *  0.1490% (0.45   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  23.47 +/- 0.83   0.000% *  0.2980% (0.90   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.40 +/- 0.74   0.000% *  0.1133% (0.34   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  65  19.95 +/- 0.95   0.000% *  0.0544% (0.16   0.02   0.02) =   0.000%
          QG2   THR   23 - QD    LYS+  65  19.06 +/- 1.03   0.000% *  0.0272% (0.08   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+  65  22.08 +/- 0.97   0.000% *  0.0607% (0.18   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  22.81 +/- 0.64   0.000% *  0.0729% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.92 +/- 0.85   0.000% *  0.0228% (0.07   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  19.60 +/- 1.18   0.000% *  0.0273% (0.08   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  19.27 +/- 1.25   0.000% *  0.0085% (0.03   0.02   0.02) =   0.000%
          QB    ALA   34 - HD2   LYS+ 111  22.46 +/- 0.61   0.000% *  0.0200% (0.06   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+ 111  22.81 +/- 0.64   0.000% *  0.0224% (0.07   0.02   0.02) =   0.000%
          QG2   THR   23 - HD2   LYS+ 111  25.18 +/- 0.81   0.000% *  0.0112% (0.03   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  25.21 +/- 0.80   0.000% *  0.0094% (0.03   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  27.15 +/- 0.66   0.000% *  0.0142% (0.04   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.88 +/- 1.00   0.000% *  0.0077% (0.02   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+ 111  32.57 +/- 0.98   0.000% *  0.0250% (0.08   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 382 (1.67, 1.67, 29.90 ppm):
    4 diagonal assignments:
    *     QD    LYS+  38 - QD    LYS+  38  (1.00)  kept
          QD    LYS+  65 - QD    LYS+  65  (0.17)  kept
          HD2   LYS+  74 - HD2   LYS+  74  (0.07)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 383 (4.27, 4.27, 62.55 ppm):
    2 diagonal assignments:
    *     HA    THR   39 - HA    THR   39  (1.00)  kept
          HA    ILE  103 - HA    ILE  103  (0.24)  kept
 
    Peak 384 (3.86, 4.27, 62.55 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.2:
    * O T HB    THR   39 - HA    THR   39   3.05 +/- 0.01  93.971% * 95.5780% (1.00   3.00  34.24) =  99.959%  kept
          HB3   SER   37 - HA    THR   39   4.90 +/- 0.33   5.930% *  0.6149% (0.97   0.02   2.67) =   0.041%
          QB    SER   13 - HA    THR   39  15.57 +/- 2.23   0.008% *  0.6358% (1.00   0.02   0.02) =   0.000%
        T HB    THR   39 - HA    ILE  103  12.75 +/- 0.29   0.018% *  0.2105% (0.33   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    THR   39  12.26 +/- 0.34   0.023% *  0.1589% (0.25   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ILE  103  12.32 +/- 0.36   0.022% *  0.1362% (0.21   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ILE  103  13.78 +/- 0.42   0.011% *  0.2032% (0.32   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ILE  103  14.49 +/- 0.45   0.008% *  0.2032% (0.32   0.02   0.02) =   0.000%
          HB    THR  118 - HA    THR   39  18.42 +/- 0.39   0.002% *  0.4122% (0.65   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR   39  22.45 +/- 0.25   0.001% *  0.6149% (0.97   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ILE  103  19.38 +/- 0.43   0.001% *  0.1758% (0.28   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    THR   39  24.53 +/- 0.81   0.000% *  0.5322% (0.84   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ILE  103  16.88 +/- 0.37   0.003% *  0.0525% (0.08   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ILE  103  22.94 +/- 2.21   0.001% *  0.2100% (0.33   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    ILE  103  23.88 +/- 0.27   0.000% *  0.0650% (0.10   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    THR   39  29.64 +/- 0.25   0.000% *  0.1967% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 385 (1.26, 4.27, 62.55 ppm):
    20 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 34.2:
    * O T QG2   THR   39 - HA    THR   39   2.26 +/- 0.09  97.848% * 94.3820% (0.87   3.00  34.24) =  99.991%  kept
          QB    ALA   34 - HA    THR   39   5.27 +/- 0.22   0.627% *  0.6059% (0.84   0.02   3.84) =   0.004%
          HG3   LYS+  99 - HA    THR   39   5.47 +/- 1.01   1.227% *  0.2474% (0.34   0.02   0.02) =   0.003%
          HG3   LYS+  38 - HA    THR   39   6.60 +/- 0.11   0.162% *  0.7238% (1.00   0.02  15.59) =   0.001%
          HG    LEU   71 - HA    THR   39   8.42 +/- 0.68   0.044% *  0.2017% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ILE  103   7.88 +/- 0.38   0.057% *  0.0817% (0.11   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE  103   9.54 +/- 0.27   0.018% *  0.2002% (0.28   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    ILE  103  10.93 +/- 0.30   0.008% *  0.2079% (0.29   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    THR   39  15.11 +/- 0.59   0.001% *  0.3816% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ILE  103  14.20 +/- 0.99   0.002% *  0.2391% (0.33   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    ILE  103  14.38 +/- 0.27   0.002% *  0.2313% (0.32   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    THR   39  18.29 +/- 0.34   0.000% *  0.7000% (0.97   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    ILE  103  15.82 +/- 1.10   0.001% *  0.2079% (0.29   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    THR   39  18.50 +/- 1.26   0.000% *  0.2239% (0.31   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE  103  14.95 +/- 0.35   0.001% *  0.0666% (0.09   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    THR   39  20.74 +/- 0.22   0.000% *  0.3531% (0.49   0.02   0.02) =   0.000%
        T QB    ALA   91 - HA    THR   39  23.08 +/- 0.86   0.000% *  0.6292% (0.87   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE  103  16.91 +/- 1.02   0.001% *  0.0740% (0.10   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE  103  19.41 +/- 0.34   0.000% *  0.1261% (0.17   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ILE  103  20.04 +/- 0.36   0.000% *  0.1167% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 386 (4.27, 3.86, 70.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.2:
    * O T HA    THR   39 - HB    THR   39   3.05 +/- 0.01  99.968% * 96.3467% (1.00   3.00  34.24) = 100.000%  kept
        T HA    ILE  103 - HB    THR   39  12.75 +/- 0.29   0.019% *  0.4664% (0.73   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB    THR   39  15.41 +/- 0.31   0.006% *  0.3379% (0.53   0.02   0.02) =   0.000%
          HA    MET   11 - HB    THR   39  18.22 +/- 3.19   0.004% *  0.3126% (0.49   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    THR   39  20.58 +/- 0.37   0.001% *  0.4909% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    THR   39  24.36 +/- 0.43   0.000% *  0.6366% (0.99   0.02   0.02) =   0.000%
          HA    SER   85 - HB    THR   39  23.55 +/- 0.38   0.000% *  0.3896% (0.61   0.02   0.02) =   0.000%
          HB    THR   77 - HB    THR   39  23.93 +/- 0.42   0.000% *  0.3896% (0.61   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    THR   39  29.70 +/- 0.26   0.000% *  0.6296% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 387 (3.86, 3.86, 70.88 ppm):
    1 diagonal assignment:
    *     HB    THR   39 - HB    THR   39  (1.00)  kept
 
    Peak 388 (1.26, 3.86, 70.88 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 2.79, residual support = 33.4:
    * O T QG2   THR   39 - HB    THR   39   2.16 +/- 0.01  94.563% * 63.7909% (0.87   2.83  34.24) =  97.368%  kept
        T QB    ALA   34 - HB    THR   39   3.62 +/- 0.28   4.832% * 33.7262% (0.84   1.55   3.84) =   2.630%  kept
          HG    LEU   71 - HB    THR   39   5.53 +/- 0.71   0.480% *  0.1447% (0.28   0.02   0.02) =   0.001%
          HG3   LYS+  38 - HB    THR   39   7.57 +/- 0.25   0.053% *  0.5193% (1.00   0.02  15.59) =   0.000%
        T HG3   LYS+  99 - HB    THR   39   7.91 +/- 1.12   0.067% *  0.1775% (0.34   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    THR   39  12.24 +/- 0.61   0.003% *  0.2738% (0.53   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB    THR   39  17.45 +/- 0.35   0.000% *  0.5022% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    THR   39  16.51 +/- 1.20   0.001% *  0.1606% (0.31   0.02   0.02) =   0.000%
        T QG2   THR   23 - HB    THR   39  18.66 +/- 0.32   0.000% *  0.2533% (0.49   0.02   0.02) =   0.000%
        T QB    ALA   91 - HB    THR   39  22.44 +/- 0.72   0.000% *  0.4514% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 389 (4.27, 1.26, 21.81 ppm):
    27 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 34.2:
    * O T HA    THR   39 - QG2   THR   39   2.26 +/- 0.09  99.027% * 92.2518% (0.87   3.00  34.24) =  99.997%  kept
          HA    GLU-  79 - QG2   THR   23   5.87 +/- 0.38   0.359% *  0.3421% (0.48   0.02   0.02) =   0.001%
          HB    THR   77 - QB    ALA   91   5.83 +/- 0.83   0.452% *  0.1761% (0.25   0.02   0.02) =   0.001%
          HA    SER   85 - QB    ALA   91   7.54 +/- 0.95   0.100% *  0.1761% (0.25   0.02   0.02) =   0.000%
        T HA    ILE  103 - QG2   THR   39  10.93 +/- 0.30   0.008% *  0.4466% (0.63   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    ALA   91  10.38 +/- 0.67   0.011% *  0.2847% (0.40   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   91  10.44 +/- 0.67   0.012% *  0.1528% (0.22   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   91  11.76 +/- 0.93   0.005% *  0.2879% (0.41   0.02   0.02) =   0.000%
        T HB    THR   77 - QG2   THR   23  11.59 +/- 0.34   0.006% *  0.2093% (0.30   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   39  13.19 +/- 0.27   0.003% *  0.3236% (0.46   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    ALA   91  13.16 +/- 0.98   0.003% *  0.2219% (0.31   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   23  19.43 +/- 4.14   0.004% *  0.1680% (0.24   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   23  13.43 +/- 0.24   0.002% *  0.2093% (0.30   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   39  15.65 +/- 2.34   0.002% *  0.2994% (0.42   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG2   THR   23  14.23 +/- 0.27   0.002% *  0.1816% (0.26   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   39  16.94 +/- 0.36   0.001% *  0.4700% (0.66   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    ALA   91  15.82 +/- 1.10   0.001% *  0.2109% (0.30   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   23  17.39 +/- 0.34   0.000% *  0.2637% (0.37   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   23  18.56 +/- 0.53   0.000% *  0.3383% (0.48   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   THR   39  21.59 +/- 0.28   0.000% *  0.6096% (0.86   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   THR   39  20.79 +/- 0.31   0.000% *  0.3730% (0.53   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   THR   39  20.83 +/- 0.35   0.000% *  0.3730% (0.53   0.02   0.02) =   0.000%
        T HA    THR   39 - QG2   THR   23  20.74 +/- 0.22   0.000% *  0.3451% (0.49   0.02   0.02) =   0.000%
        T HA    ILE  103 - QG2   THR   23  20.04 +/- 0.36   0.000% *  0.2506% (0.35   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   39  24.93 +/- 0.29   0.000% *  0.6028% (0.85   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    ALA   91  23.08 +/- 0.86   0.000% *  0.2904% (0.41   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   91  30.94 +/- 3.04   0.000% *  0.1414% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 390 (3.86, 1.26, 21.81 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 2.83, residual support = 34.2:
    * O T HB    THR   39 - QG2   THR   39   2.16 +/- 0.01  96.968% * 92.6955% (0.87   2.83  34.24) =  99.983%  kept
          HB3   SER   37 - QG2   THR   39   4.24 +/- 0.31   1.925% *  0.6331% (0.84   0.02   2.67) =   0.014%
          HA    ILE   89 - QB    ALA   91   4.99 +/- 0.73   1.021% *  0.2989% (0.40   0.02   7.83) =   0.003%
          HB3   SER   82 - QG2   THR   23   8.88 +/- 0.52   0.022% *  0.3075% (0.41   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   39  11.25 +/- 1.69   0.008% *  0.6545% (0.87   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   91   8.42 +/- 0.62   0.032% *  0.0956% (0.13   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   39   9.66 +/- 0.33   0.013% *  0.1636% (0.22   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    ALA   91  13.19 +/- 0.83   0.002% *  0.2587% (0.34   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   THR   23  11.55 +/- 0.22   0.004% *  0.0918% (0.12   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   91  14.00 +/- 1.44   0.002% *  0.2004% (0.26   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   39  15.05 +/- 0.38   0.001% *  0.4244% (0.56   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   23  14.89 +/- 0.42   0.001% *  0.3552% (0.47   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR   23  15.87 +/- 1.98   0.001% *  0.3673% (0.49   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR   39  18.90 +/- 0.28   0.000% *  0.6331% (0.84   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR   23  18.33 +/- 0.27   0.000% *  0.3552% (0.47   0.02   0.02) =   0.000%
        T HB    THR   39 - QG2   THR   23  18.66 +/- 0.32   0.000% *  0.3681% (0.49   0.02   0.02) =   0.000%
          HB3   SER   82 - QG2   THR   39  20.85 +/- 0.64   0.000% *  0.5479% (0.72   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   23  17.85 +/- 0.55   0.000% *  0.1136% (0.15   0.02   0.02) =   0.000%
        T HB    THR   39 - QB    ALA   91  22.44 +/- 0.72   0.000% *  0.3098% (0.41   0.02   0.02) =   0.000%
          HB3   SER   37 - QB    ALA   91  23.76 +/- 0.77   0.000% *  0.2989% (0.40   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   THR   23  23.08 +/- 0.30   0.000% *  0.2381% (0.31   0.02   0.02) =   0.000%
          QB    SER   13 - QB    ALA   91  24.52 +/- 1.42   0.000% *  0.3091% (0.41   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   THR   39  23.86 +/- 0.29   0.000% *  0.2025% (0.27   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    ALA   91  20.79 +/- 0.41   0.000% *  0.0772% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 5.26, residual support = 104.6:
    * O T HB2   LEU   40 - HA    LEU   40   2.73 +/- 0.26  93.976% * 97.3818% (1.00   5.26 104.57) =  99.991%  kept
          HB3   GLU-  14 - HA    GLU-  15   4.84 +/- 0.75   5.711% *  0.1457% (0.39   0.02   1.33) =   0.009%
          HB    VAL   18 - HA    GLU-  15   9.02 +/- 0.39   0.085% *  0.1021% (0.28   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    LEU   40  11.27 +/- 0.31   0.022% *  0.2963% (0.80   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HA    ASN   35  10.06 +/- 0.33   0.042% *  0.1387% (0.37   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    LEU   40   9.90 +/- 0.91   0.054% *  0.0571% (0.15   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HA    GLU-  15  13.41 +/- 1.39   0.010% *  0.2993% (0.81   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    GLU-  15   9.84 +/- 0.91   0.065% *  0.0462% (0.12   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    GLU-  15  12.84 +/- 1.66   0.014% *  0.0924% (0.25   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU   40  14.91 +/- 1.46   0.005% *  0.1262% (0.34   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    ASN   35  14.70 +/- 0.34   0.004% *  0.1111% (0.30   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    LEU   40  17.38 +/- 1.68   0.002% *  0.1801% (0.49   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  15  18.22 +/- 0.94   0.001% *  0.2396% (0.65   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    ASN   35  17.69 +/- 2.03   0.002% *  0.0675% (0.18   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ASN   35  18.57 +/- 1.26   0.001% *  0.0473% (0.13   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HA    ASN   35  16.09 +/- 0.66   0.003% *  0.0214% (0.06   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    ASN   35  21.75 +/- 4.59   0.001% *  0.0428% (0.12   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    LEU   40  23.36 +/- 3.25   0.000% *  0.1142% (0.31   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU-  15  24.17 +/- 0.94   0.000% *  0.1815% (0.49   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU   40  26.29 +/- 0.29   0.000% *  0.2245% (0.61   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    ASN   35  31.09 +/- 0.50   0.000% *  0.0842% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.903, support = 5.27, residual support = 104.6:
    * O T HB3   LEU   40 - HA    LEU   40   2.66 +/- 0.35  67.330% * 70.4584% (1.00   5.26 104.57) =  84.508%  kept
      O T HG    LEU   40 - HA    LEU   40   3.05 +/- 0.11  32.425% * 26.8196% (0.38   5.34 104.57) =  15.491%  kept
          HG    LEU   67 - HA    GLU-  15  10.65 +/- 2.43   0.060% *  0.1054% (0.39   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LEU   40   9.71 +/- 1.37   0.046% *  0.1303% (0.49   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ASN   35  10.05 +/- 0.42   0.023% *  0.1004% (0.37   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    GLU-  15  10.07 +/- 0.80   0.026% *  0.0602% (0.22   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU-  15  13.45 +/- 1.48   0.006% *  0.2165% (0.81   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU-  15  10.35 +/- 0.89   0.024% *  0.0482% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU-  15  11.89 +/- 0.87   0.010% *  0.1139% (0.43   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ASN   35  10.44 +/- 0.43   0.019% *  0.0377% (0.14   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LEU   40  14.72 +/- 0.41   0.003% *  0.2472% (0.92   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    GLU-  15  13.66 +/- 1.65   0.004% *  0.0813% (0.30   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU   40  13.87 +/- 0.44   0.004% *  0.0744% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU   40  15.51 +/- 0.70   0.002% *  0.1409% (0.53   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LEU   40  13.65 +/- 1.49   0.005% *  0.0469% (0.18   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ASN   35  12.42 +/- 0.26   0.007% *  0.0279% (0.10   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    LEU   40  18.80 +/- 0.94   0.001% *  0.2472% (0.92   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    LEU   40  16.88 +/- 0.61   0.001% *  0.1005% (0.38   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    GLU-  15  19.67 +/- 0.38   0.000% *  0.1999% (0.75   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    ASN   35  16.06 +/- 0.99   0.002% *  0.0489% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU   40  16.59 +/- 0.65   0.001% *  0.0596% (0.22   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    GLU-  15  22.07 +/- 1.12   0.000% *  0.1999% (0.75   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ASN   35  17.99 +/- 0.41   0.001% *  0.0528% (0.20   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ASN   35  21.10 +/- 0.49   0.000% *  0.0927% (0.35   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    GLU-  15  20.72 +/- 0.65   0.000% *  0.0813% (0.30   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ASN   35  25.53 +/- 1.01   0.000% *  0.0927% (0.35   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU-  15  23.06 +/- 1.31   0.000% *  0.0379% (0.14   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ASN   35  20.91 +/- 1.57   0.000% *  0.0176% (0.07   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ASN   35  23.36 +/- 0.65   0.000% *  0.0377% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ASN   35  21.74 +/- 0.94   0.000% *  0.0223% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 5.26, residual support = 104.6:
    * O T HA    LEU   40 - HB2   LEU   40   2.73 +/- 0.26  94.043% * 97.6881% (1.00   5.26 104.57) =  99.995%  kept
          HA    LYS+  99 - HB2   LEU   40   4.60 +/- 0.56   5.054% *  0.0926% (0.25   0.02  12.71) =   0.005%
          HA    GLN   17 - HB2   LEU   67   7.17 +/- 1.07   0.556% *  0.0128% (0.03   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   40  10.06 +/- 0.33   0.043% *  0.1393% (0.38   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   40  10.44 +/- 0.13   0.035% *  0.1393% (0.38   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   LEU   40  13.41 +/- 1.39   0.011% *  0.3512% (0.95   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   40  11.90 +/- 0.96   0.019% *  0.1953% (0.53   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   LEU   67   9.84 +/- 0.91   0.065% *  0.0324% (0.09   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   LEU   67   9.90 +/- 0.91   0.055% *  0.0342% (0.09   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LEU   40  13.77 +/- 0.92   0.008% *  0.1393% (0.38   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LEU   67   9.67 +/- 0.78   0.057% *  0.0180% (0.05   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   67  11.56 +/- 0.68   0.019% *  0.0330% (0.09   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU   40  18.35 +/- 0.59   0.001% *  0.3583% (0.97   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   40  19.18 +/- 1.53   0.001% *  0.3512% (0.95   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   40  19.06 +/- 0.47   0.001% *  0.1526% (0.41   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   LEU   67  12.18 +/- 1.06   0.017% *  0.0085% (0.02   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   40  20.13 +/- 0.38   0.001% *  0.1664% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU   67  16.12 +/- 1.27   0.003% *  0.0324% (0.09   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU   67  14.30 +/- 0.78   0.005% *  0.0141% (0.04   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LEU   67  15.16 +/- 0.51   0.004% *  0.0128% (0.03   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   LEU   67  16.09 +/- 0.66   0.003% *  0.0128% (0.03   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LEU   67  17.23 +/- 0.62   0.002% *  0.0153% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.964, support = 4.02, residual support = 104.1:
    * O T HB3   LEU   40 - HB2   LEU   40   1.75 +/- 0.00  83.202% * 65.5418% (1.00   4.00 104.57) =  94.579%  kept
      O   HG    LEU   40 - HB2   LEU   40   2.58 +/- 0.26   9.789% * 29.2583% (0.38   4.76 104.57) =   4.968%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.72 +/- 0.25   6.931% *  3.7735% (0.04   5.13  61.10) =   0.454%
          HG    LEU   67 - HB2   LEU   40   7.80 +/- 1.67   0.024% *  0.1595% (0.49   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HB2   LEU   67   8.21 +/- 1.40   0.013% *  0.0302% (0.09   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU   67   8.04 +/- 1.38   0.016% *  0.0113% (0.03   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   40  13.23 +/- 0.45   0.000% *  0.3025% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   67   7.38 +/- 0.77   0.019% *  0.0067% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   40  12.37 +/- 1.58   0.001% *  0.0574% (0.18   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  11.69 +/- 0.79   0.001% *  0.0279% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   40  16.02 +/- 0.80   0.000% *  0.1724% (0.53   0.02   0.02) =   0.000%
          HG    LEU  115 - HB2   LEU   40  17.83 +/- 1.03   0.000% *  0.3025% (0.92   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   40  15.08 +/- 0.45   0.000% *  0.0911% (0.28   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   40  16.15 +/- 0.69   0.000% *  0.1230% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU   40  15.26 +/- 0.89   0.000% *  0.0730% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU   67  12.39 +/- 0.90   0.001% *  0.0159% (0.05   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  14.11 +/- 0.99   0.000% *  0.0279% (0.09   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  13.04 +/- 1.07   0.001% *  0.0113% (0.03   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU   67  14.41 +/- 0.44   0.000% *  0.0084% (0.03   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU   67  13.98 +/- 1.50   0.000% *  0.0053% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 398 (4.40, 1.48, 42.31 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.26, residual support = 104.6:
    * O T HA    LEU   40 - HB3   LEU   40   2.66 +/- 0.35  89.246% * 97.6278% (1.00   5.26 104.57) =  99.991%  kept
          HA    LYS+  99 - HB3   LEU   40   4.37 +/- 1.17   8.036% *  0.0925% (0.25   0.02  12.71) =   0.009%
          HA    ILE   56 - HB3   LEU  115   5.12 +/- 0.38   2.510% *  0.0179% (0.05   0.02   0.02) =   0.001%
        T HA    ASN   35 - HB3   LEU   40  10.05 +/- 0.42   0.036% *  0.1392% (0.38   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU   40  10.68 +/- 0.14   0.028% *  0.1392% (0.38   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU   40  13.45 +/- 1.48   0.011% *  0.3509% (0.95   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU   40  11.95 +/- 1.05   0.019% *  0.1952% (0.53   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  115   9.08 +/- 0.37   0.071% *  0.0420% (0.11   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU   40  13.72 +/- 1.28   0.010% *  0.1392% (0.38   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU   40  18.16 +/- 0.93   0.001% *  0.3580% (0.97   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU   40  19.30 +/- 1.87   0.001% *  0.3509% (0.95   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU  115  11.78 +/- 0.26   0.015% *  0.0195% (0.05   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LEU  115  13.17 +/- 0.51   0.008% *  0.0229% (0.06   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU   40  18.78 +/- 0.70   0.001% *  0.1525% (0.41   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   LEU   40  19.75 +/- 0.54   0.001% *  0.1663% (0.45   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB3   LEU  115  16.88 +/- 0.61   0.002% *  0.0435% (0.12   0.02   0.02) =   0.000%
          HA    GLN   17 - HB3   LEU  115  16.17 +/- 0.61   0.002% *  0.0163% (0.04   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB3   LEU  115  20.72 +/- 0.65   0.000% *  0.0412% (0.11   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  115  17.78 +/- 0.62   0.001% *  0.0109% (0.03   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  115  26.85 +/- 1.08   0.000% *  0.0412% (0.11   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB3   LEU  115  23.36 +/- 0.65   0.000% *  0.0163% (0.04   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   LEU  115  25.53 +/- 0.63   0.000% *  0.0163% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 399 (1.94, 1.48, 42.31 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 104.6:
    * O T HB2   LEU   40 - HB3   LEU   40   1.75 +/- 0.00  99.979% * 98.4582% (1.00   4.00 104.57) = 100.000%  kept
        T HB2   LEU   67 - HB3   LEU   40   8.21 +/- 1.40   0.016% *  0.0760% (0.15   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU   40  12.11 +/- 0.31   0.001% *  0.3942% (0.80   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  14.43 +/- 1.84   0.000% *  0.1679% (0.34   0.02   0.02) =   0.000%
          HB3   MET   96 - HB3   LEU  115  11.54 +/- 0.41   0.001% *  0.0462% (0.09   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU   40  17.39 +/- 1.72   0.000% *  0.2396% (0.49   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.62 +/- 0.50   0.001% *  0.0350% (0.07   0.02   0.02) =   0.000%
        T HB2   LEU   40 - HB3   LEU  115  16.15 +/- 0.69   0.000% *  0.0578% (0.12   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  14.02 +/- 0.98   0.000% *  0.0197% (0.04   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  13.04 +/- 1.07   0.001% *  0.0089% (0.02   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU   40  23.61 +/- 3.06   0.000% *  0.1519% (0.31   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  25.64 +/- 0.77   0.000% *  0.2986% (0.61   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB3   LEU  115  24.00 +/- 1.57   0.000% *  0.0281% (0.06   0.02   0.02) =   0.000%
          HG3   MET   11 - HB3   LEU  115  31.99 +/- 2.10   0.000% *  0.0178% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.41 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 = 69.0:
    * O T HB    VAL   41 - HA    VAL   41   2.77 +/- 0.32  99.670% * 95.5774% (0.69   4.00  68.97) =  99.999%  kept
          QB    LYS+  33 - HA    VAL   41   8.27 +/- 0.45   0.168% *  0.2147% (0.31   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    VAL   41  10.10 +/- 0.26   0.047% *  0.5811% (0.84   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    VAL   41  10.85 +/- 0.38   0.033% *  0.2860% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    VAL   41  11.51 +/- 0.63   0.023% *  0.3386% (0.49   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    VAL   41  12.28 +/- 0.99   0.019% *  0.3660% (0.53   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    VAL   41  12.25 +/- 0.21   0.016% *  0.3386% (0.49   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    VAL   41  12.21 +/- 0.28   0.017% *  0.1218% (0.18   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    VAL   41  16.42 +/- 0.70   0.003% *  0.6896% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    VAL   41  22.49 +/- 0.30   0.000% *  0.6896% (0.99   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    VAL   41  18.38 +/- 0.46   0.001% *  0.1735% (0.25   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    VAL   41  19.05 +/- 0.27   0.001% *  0.1377% (0.20   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    VAL   41  20.70 +/- 0.94   0.001% *  0.1735% (0.25   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    VAL   41  23.03 +/- 0.58   0.000% *  0.3119% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.04 A, kept.
 
    Peak 403 (0.76, 4.88, 60.22 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 68.9:
    * O T QG1   VAL   41 - HA    VAL   41   2.79 +/- 0.26  86.903% * 97.9557% (1.00   3.97  68.97) =  99.956%  kept
          QD2   LEU   73 - HA    VAL   41   4.28 +/- 0.46   9.011% *  0.2213% (0.45   0.02   0.95) =   0.023%
          QG1   VAL   43 - HA    VAL   41   4.82 +/- 0.18   3.509% *  0.4670% (0.95   0.02   1.72) =   0.019%
          HG    LEU   31 - HA    VAL   41   8.62 +/- 1.27   0.279% *  0.2994% (0.61   0.02   0.02) =   0.001%
        T QG2   VAL   18 - HA    VAL   41   8.78 +/- 0.50   0.109% *  0.3773% (0.76   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   41   9.33 +/- 0.33   0.070% *  0.1524% (0.31   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HA    VAL   41   8.88 +/- 0.61   0.108% *  0.0977% (0.20   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   41  13.25 +/- 0.46   0.009% *  0.3194% (0.65   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   41  14.87 +/- 0.26   0.004% *  0.1099% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 3.75, residual support = 69.0:
    * O T QG2   VAL   41 - HA    VAL   41   2.31 +/- 0.23  97.931% * 98.6864% (1.00   3.75  68.97) =  99.989%  kept
          QD2   LEU   98 - HA    VAL   41   4.67 +/- 0.57   2.019% *  0.4973% (0.95   0.02  15.02) =   0.010%
          QD2   LEU   63 - HA    VAL   41   8.89 +/- 0.97   0.047% *  0.3189% (0.61   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    VAL   41  13.55 +/- 1.28   0.003% *  0.4973% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 69.0:
    * O T HA    VAL   41 - HB    VAL   41   2.77 +/- 0.32  99.976% * 99.3013% (0.69   4.00  68.97) = 100.000%  kept
          HA    PHE   45 - HB    VAL   41  12.48 +/- 0.56   0.016% *  0.3011% (0.42   0.02   0.02) =   0.000%
          HA    HIS  122 - HB    VAL   41  13.81 +/- 0.55   0.008% *  0.3976% (0.55   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 3.67, residual support = 69.0:
    * O T QG1   VAL   41 - HB    VAL   41   2.13 +/- 0.02  94.671% * 97.7908% (0.69   3.67  68.97) =  99.976%  kept
          QG1   VAL   43 - HB    VAL   41   3.97 +/- 0.65   3.472% *  0.5047% (0.65   0.02   1.72) =   0.019%
          QD2   LEU   73 - HB    VAL   41   4.83 +/- 1.00   1.500% *  0.2392% (0.31   0.02   0.95) =   0.004%
          HG    LEU   31 - HB    VAL   41   6.84 +/- 1.26   0.310% *  0.3236% (0.42   0.02   0.02) =   0.001%
        T QG2   VAL   18 - HB    VAL   41  10.27 +/- 0.72   0.008% *  0.4077% (0.52   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   41   8.67 +/- 0.92   0.025% *  0.1056% (0.14   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   41   9.71 +/- 0.74   0.012% *  0.1647% (0.21   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   41  13.47 +/- 0.51   0.002% *  0.3451% (0.44   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   41  15.72 +/- 0.52   0.001% *  0.1188% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 0.683, support = 3.77, residual support = 62.9:
    * O T QG2   VAL   41 - HB    VAL   41   2.12 +/- 0.02  80.496% * 65.1232% (0.69   3.97  68.97) =  88.668%  kept
          QD2   LEU   98 - HB    VAL   41   3.28 +/- 1.10  19.495% * 34.3670% (0.65   2.21  15.02) =  11.332%  kept
          QD2   LEU   63 - HB    VAL   41  10.53 +/- 0.89   0.006% *  0.1992% (0.42   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB    VAL   41  12.64 +/- 1.34   0.002% *  0.3106% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 3.75, residual support = 69.0:
    * O T HA    VAL   41 - QG2   VAL   41   2.31 +/- 0.23  99.967% * 99.2559% (1.00   3.75  68.97) = 100.000%  kept
          HA    PHE   45 - QG2   VAL   41   9.51 +/- 0.39   0.028% *  0.3207% (0.61   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   41  12.22 +/- 0.39   0.005% *  0.4234% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 69.0:
    * O T HB    VAL   41 - QG2   VAL   41   2.12 +/- 0.02  99.667% * 95.5418% (0.69   3.97  68.97) =  99.999%  kept
          QB    LYS+  33 - QG2   VAL   41   5.87 +/- 0.51   0.262% *  0.2165% (0.31   0.02   0.02) =   0.001%
          HG12  ILE  103 - QG2   VAL   41   8.19 +/- 0.65   0.035% *  0.5858% (0.84   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   VAL   41  10.24 +/- 0.49   0.008% *  0.3414% (0.49   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   VAL   41  10.26 +/- 0.52   0.008% *  0.2883% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   41  11.32 +/- 0.58   0.005% *  0.3414% (0.49   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   VAL   41  12.27 +/- 0.78   0.003% *  0.3690% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QG2   VAL   41  10.30 +/- 0.49   0.008% *  0.1228% (0.18   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   41  15.69 +/- 0.58   0.001% *  0.6951% (0.99   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   VAL   41  14.20 +/- 0.44   0.001% *  0.1388% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   41  18.59 +/- 0.47   0.000% *  0.6951% (0.99   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   41  15.25 +/- 0.63   0.001% *  0.1749% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   VAL   41  15.98 +/- 1.11   0.001% *  0.1749% (0.25   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   VAL   41  19.25 +/- 0.51   0.000% *  0.3144% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 0.972, support = 3.41, residual support = 59.9:
    * O T QG1   VAL   41 - QG2   VAL   41   2.07 +/- 0.04  63.570% * 60.5049% (1.00   3.68  68.97) =  86.585%  kept
          QG1   VAL   43 - QG2   VAL   41   2.89 +/- 0.52  14.033% * 28.9963% (0.95   1.86   1.72) =   9.160%  kept
          QD2   LEU   73 - QG2   VAL   41   2.83 +/- 0.64  19.640% *  9.5958% (0.45   1.30   0.95) =   4.242%  kept
          HG    LEU   31 - QG2   VAL   41   4.73 +/- 1.10   2.660% *  0.1994% (0.61   0.02   0.02) =   0.012%
        T QG2   VAL   18 - QG2   VAL   41   7.66 +/- 0.59   0.026% *  0.2512% (0.76   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   41   6.86 +/- 0.29   0.049% *  0.1015% (0.31   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QG2   VAL   41   8.37 +/- 0.56   0.016% *  0.0651% (0.20   0.02   0.02) =   0.000%
          QG2   THR   46 - QG2   VAL   41  10.31 +/- 0.52   0.004% *  0.2127% (0.65   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   41  12.91 +/- 0.33   0.001% *  0.0732% (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 = 4.18, residual support = 87.6:
    * O T HB    VAL   42 - HA    VAL   42   2.91 +/- 0.17  96.962% * 94.9919% (0.87   4.19  87.63) =  99.989%  kept
          QB    LEU   98 - HA    VAL   42   5.67 +/- 0.31   1.999% *  0.3999% (0.76   0.02   0.28) =   0.009%
          HB3   LEU   73 - HA    VAL   42   8.29 +/- 0.25   0.188% *  0.4190% (0.80   0.02   2.83) =   0.001%
        T HB2   LYS+ 112 - HA    PHE   55   7.07 +/- 0.60   0.565% *  0.0846% (0.16   0.02   0.41) =   0.001%
          HG3   LYS+ 106 - HA    VAL   42   8.76 +/- 0.78   0.159% *  0.2963% (0.57   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    VAL   42  10.66 +/- 0.49   0.045% *  0.2547% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    VAL   42  12.77 +/- 0.51   0.015% *  0.4831% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    VAL   42  13.07 +/- 0.82   0.014% *  0.3999% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    VAL   42  12.27 +/- 0.77   0.020% *  0.2346% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    VAL   42  14.32 +/- 0.47   0.007% *  0.4539% (0.87   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    VAL   42  14.98 +/- 1.00   0.006% *  0.1615% (0.31   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    VAL   42  18.79 +/- 1.79   0.002% *  0.5050% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    PHE   55  14.42 +/- 0.80   0.007% *  0.1068% (0.20   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HA    VAL   42  18.46 +/- 0.34   0.002% *  0.3595% (0.69   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    PHE   55  17.32 +/- 0.33   0.002% *  0.1068% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    PHE   55  15.95 +/- 0.58   0.004% *  0.0599% (0.11   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   55  20.15 +/- 0.34   0.001% *  0.0986% (0.19   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   55  19.81 +/- 0.51   0.001% *  0.0697% (0.13   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    PHE   55  21.39 +/- 0.25   0.001% *  0.0941% (0.18   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   55  20.23 +/- 1.17   0.001% *  0.0552% (0.11   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    PHE   55  25.63 +/- 2.26   0.000% *  0.1189% (0.23   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    PHE   55  28.29 +/- 0.50   0.000% *  0.1137% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   55  23.75 +/- 0.86   0.000% *  0.0380% (0.07   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   55  29.49 +/- 0.94   0.000% *  0.0941% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 87.6:
    * O T QG1   VAL   42 - HA    VAL   42   2.39 +/- 0.23  98.902% * 98.6947% (0.97   4.00  87.63) =  99.999%  kept
          HG2   LYS+ 112 - HA    PHE   55   5.48 +/- 0.83   0.964% *  0.0827% (0.16   0.02   0.41) =   0.001%
        T QB    ALA   64 - HA    VAL   42   7.64 +/- 0.34   0.109% *  0.1012% (0.20   0.02   0.02) =   0.000%
        T QB    ALA   47 - HA    PHE   55  10.98 +/- 0.19   0.012% *  0.1201% (0.23   0.02   0.02) =   0.000%
        T QB    ALA   47 - HA    VAL   42  14.62 +/- 0.12   0.002% *  0.5102% (1.00   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HA    PHE   55  12.95 +/- 0.21   0.004% *  0.1161% (0.23   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    VAL   42  16.66 +/- 0.76   0.001% *  0.3512% (0.69   0.02   0.02) =   0.000%
        T QB    ALA   64 - HA    PHE   55  12.49 +/- 0.38   0.006% *  0.0238% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 87.6:
    * O T QG2   VAL   42 - HA    VAL   42   2.53 +/- 0.41  99.902% * 99.3871% (0.80   4.00  87.63) = 100.000%  kept
          QG2   VAL   75 - HA    VAL   42   8.74 +/- 0.33   0.089% *  0.4015% (0.65   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HA    PHE   55  14.35 +/- 0.78   0.006% *  0.1170% (0.19   0.02   0.02) =   0.000%
          QG2   VAL   75 - HA    PHE   55  16.68 +/- 0.26   0.002% *  0.0945% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 87.6:
    * O T HA    VAL   42 - HB    VAL   42   2.91 +/- 0.17  98.695% * 97.3246% (0.87   4.19  87.63) =  99.998%  kept
        T HA    PHE   55 - HB2   LYS+ 112   7.07 +/- 0.60   0.575% *  0.1858% (0.35   0.02   0.41) =   0.001%
          HA    ALA  110 - HB2   LYS+ 112   6.87 +/- 0.19   0.597% *  0.0913% (0.17   0.02   0.02) =   0.001%
          HA    GLN   17 - HB    VAL   42   9.60 +/- 0.63   0.094% *  0.2821% (0.53   0.02   0.02) =   0.000%
          HA    THR   46 - HB    VAL   42  13.38 +/- 0.42   0.012% *  0.2447% (0.46   0.02   0.02) =   0.000%
          HA    SER   37 - HB    VAL   42  14.41 +/- 0.41   0.007% *  0.2821% (0.53   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   LYS+ 112  14.85 +/- 0.46   0.006% *  0.1727% (0.32   0.02   0.02) =   0.000%
          HA    ALA  110 - HB    VAL   42  14.38 +/- 0.38   0.007% *  0.1293% (0.24   0.02   0.02) =   0.000%
        T HA    PHE   55 - HB    VAL   42  17.32 +/- 0.33   0.002% *  0.2633% (0.49   0.02   0.02) =   0.000%
        T HA    VAL   42 - HB2   LYS+ 112  18.46 +/- 0.34   0.002% *  0.3282% (0.61   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL   42  17.63 +/- 0.76   0.002% *  0.1746% (0.33   0.02   0.02) =   0.000%
          HA    GLN   17 - HB2   LYS+ 112  21.20 +/- 0.45   0.001% *  0.1991% (0.37   0.02   0.02) =   0.000%
          HA    GLN   90 - HB2   LYS+ 112  19.83 +/- 0.68   0.001% *  0.1232% (0.23   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   LYS+ 112  32.30 +/- 0.48   0.000% *  0.1991% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 0.777, support = 4.56, residual support = 108.9:
    * O T QG1   VAL   42 - HB    VAL   42   2.12 +/- 0.01  82.292% * 54.7716% (0.84   4.19  87.63) =  85.457%  kept
      O T HG2   LYS+ 112 - HB2   LYS+ 112   2.77 +/- 0.13  17.312% * 44.3043% (0.42   6.74 234.00) =  14.542%  kept
          QB    ALA   64 - HB    VAL   42   5.37 +/- 0.56   0.392% *  0.0537% (0.17   0.02   0.02) =   0.000%
        T QG1   VAL   42 - HB2   LYS+ 112  13.33 +/- 0.24   0.001% *  0.1847% (0.59   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB2   LYS+ 112  13.81 +/- 0.47   0.001% *  0.1910% (0.61   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  15.00 +/- 0.36   0.001% *  0.2706% (0.87   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  16.12 +/- 0.71   0.000% *  0.1863% (0.60   0.02   0.02) =   0.000%
          QB    ALA   64 - HB2   LYS+ 112  14.86 +/- 0.38   0.001% *  0.0379% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 4.13, residual support = 87.6:
    * O T QG2   VAL   42 - HB    VAL   42   2.13 +/- 0.01  99.984% * 99.0013% (0.69   4.13  87.63) = 100.000%  kept
          QG2   VAL   75 - HB    VAL   42   9.34 +/- 0.53   0.015% *  0.3872% (0.56   0.02   0.02) =   0.000%
        T QG2   VAL   42 - HB2   LYS+ 112  14.67 +/- 0.40   0.001% *  0.3382% (0.49   0.02   0.02) =   0.000%
          QG2   VAL   75 - HB2   LYS+ 112  18.97 +/- 0.39   0.000% *  0.2733% (0.40   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 87.6:
    * O T HB    VAL   42 - QG1   VAL   42   2.12 +/- 0.01  99.698% * 92.4245% (0.84   4.19  87.63) =  99.999%  kept
          QB    LEU   98 - QG1   VAL   42   6.75 +/- 0.37   0.105% *  0.3891% (0.74   0.02   0.28) =   0.000%
          HB3   LEU   73 - QG1   VAL   42   7.44 +/- 0.46   0.058% *  0.4077% (0.77   0.02   2.83) =   0.000%
          HG3   LYS+ 106 - QG1   VAL   42   7.80 +/- 0.71   0.048% *  0.2883% (0.55   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG1   VAL   42   8.08 +/- 0.89   0.042% *  0.2478% (0.47   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG1   VAL   42   9.99 +/- 0.48   0.010% *  0.4417% (0.84   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG1   VAL   42   9.74 +/- 0.57   0.012% *  0.2283% (0.43   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    ALA   47  10.47 +/- 0.40   0.007% *  0.2140% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG1   VAL   42  12.15 +/- 0.53   0.003% *  0.4700% (0.89   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG1   VAL   42  12.83 +/- 0.80   0.002% *  0.3891% (0.74   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   47  11.25 +/- 0.42   0.005% *  0.1357% (0.26   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG1   VAL   42  13.33 +/- 0.24   0.002% *  0.3498% (0.66   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    ALA   47  13.36 +/- 0.23   0.002% *  0.3521% (0.67   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    ALA   47  13.81 +/- 0.47   0.001% *  0.3020% (0.57   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   42  15.78 +/- 1.27   0.001% *  0.4914% (0.93   0.02   0.02) =   0.000%
        T HB    VAL   42 - QB    ALA   47  15.00 +/- 0.36   0.001% *  0.3814% (0.72   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG1   VAL   42  13.29 +/- 0.90   0.002% *  0.1572% (0.30   0.02   0.02) =   0.000%
          QB    LEU   98 - QB    ALA   47  15.89 +/- 0.18   0.001% *  0.3360% (0.64   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QB    ALA   47  15.78 +/- 0.62   0.001% *  0.2489% (0.47   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QB    ALA   47  17.18 +/- 0.57   0.000% *  0.3814% (0.72   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    ALA   47  20.97 +/- 2.37   0.000% *  0.4244% (0.80   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QB    ALA   47  21.32 +/- 0.70   0.000% *  0.4059% (0.77   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    ALA   47  20.58 +/- 1.02   0.000% *  0.1971% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QB    ALA   47  22.78 +/- 0.68   0.000% *  0.3360% (0.64   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 87.6:
    * O T QG2   VAL   42 - QG1   VAL   42   2.09 +/- 0.02  99.935% * 98.8293% (0.77   4.00  87.63) = 100.000%  kept
          QG2   VAL   75 - QG1   VAL   42   7.67 +/- 0.53   0.045% *  0.3992% (0.62   0.02   0.02) =   0.000%
          QG2   VAL   75 - QB    ALA   47   8.80 +/- 0.15   0.018% *  0.3448% (0.54   0.02   0.02) =   0.000%
        T QG2   VAL   42 - QB    ALA   47  12.73 +/- 0.80   0.002% *  0.4267% (0.67   0.02   0.02) =   0.000%
    Distance limit 2.70 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 = 87.6:
    * O T HA    VAL   42 - QG2   VAL   42   2.53 +/- 0.41  99.728% * 98.5422% (0.80   4.00  87.63) =  99.999%  kept
          HA    GLN   17 - QG2   VAL   42   8.58 +/- 0.88   0.200% *  0.2988% (0.49   0.02   0.02) =   0.001%
          HA    THR   46 - QG2   VAL   42  11.47 +/- 1.02   0.033% *  0.2592% (0.42   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   VAL   42  12.26 +/- 0.52   0.010% *  0.2988% (0.49   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   VAL   42  11.77 +/- 0.56   0.018% *  0.1370% (0.22   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG2   VAL   42  14.35 +/- 0.78   0.006% *  0.2790% (0.45   0.02   0.02) =   0.000%
          HA    GLN   90 - QG2   VAL   42  14.94 +/- 0.80   0.005% *  0.1849% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 4.13, residual support = 87.6:
    * O T HB    VAL   42 - QG2   VAL   42   2.13 +/- 0.01  99.645% * 95.9404% (0.69   4.13  87.63) =  99.999%  kept
          QB    LEU   98 - QG2   VAL   42   6.37 +/- 0.74   0.176% *  0.4092% (0.61   0.02   0.28) =   0.001%
          HB3   LEU   73 - QG2   VAL   42   7.64 +/- 1.04   0.078% *  0.4288% (0.64   0.02   2.83) =   0.000%
          HG3   LYS+ 106 - QG2   VAL   42   8.53 +/- 0.92   0.030% *  0.3032% (0.45   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QG2   VAL   42   8.91 +/- 1.23   0.030% *  0.2606% (0.39   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QG2   VAL   42   9.99 +/- 0.74   0.011% *  0.4645% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   VAL   42   9.71 +/- 1.46   0.016% *  0.2401% (0.36   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QG2   VAL   42  10.95 +/- 0.66   0.006% *  0.4943% (0.74   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QG2   VAL   42  12.29 +/- 1.37   0.004% *  0.4092% (0.61   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   42  14.97 +/- 1.60   0.001% *  0.5168% (0.77   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QG2   VAL   42  14.67 +/- 0.40   0.001% *  0.3678% (0.55   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   VAL   42  14.19 +/- 1.26   0.001% *  0.1653% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 87.6:
    * O T QG1   VAL   42 - QG2   VAL   42   2.09 +/- 0.02  99.022% * 99.0341% (0.77   4.00  87.63) =  99.999%  kept
          QB    ALA   64 - QG2   VAL   42   4.91 +/- 0.69   0.974% *  0.1015% (0.16   0.02   0.02) =   0.001%
        T QB    ALA   47 - QG2   VAL   42  12.73 +/- 0.80   0.002% *  0.5120% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QG2   VAL   42  13.10 +/- 0.65   0.002% *  0.3524% (0.55   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 59.8:
    * O T HB    VAL   43 - HA    VAL   43   2.99 +/- 0.02  99.959% * 98.4444% (0.97   3.30  59.82) = 100.000%  kept
          HB2   LYS+  99 - HA    VAL   43  12.41 +/- 0.76   0.021% *  0.6172% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    VAL   43  13.39 +/- 0.46   0.013% *  0.3254% (0.53   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    VAL   43  14.99 +/- 0.45   0.006% *  0.6131% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.877, support = 4.2, residual support = 57.0:
    * O T QG1   VAL   43 - HA    VAL   43   2.60 +/- 0.10  77.148% * 81.9379% (0.90   4.36  59.82) =  94.522%  kept
          QD2   LEU   73 - HA    VAL   43   4.34 +/- 1.37  22.126% * 16.5470% (0.53   1.50   8.15) =   5.475%  kept
          QG1   VAL   41 - HA    VAL   43   6.72 +/- 0.38   0.280% *  0.4156% (0.99   0.02   1.72) =   0.002%
          QG2   VAL   18 - HA    VAL   43   7.13 +/- 0.72   0.202% *  0.2881% (0.69   0.02   0.02) =   0.001%
          HG    LEU   31 - HA    VAL   43   8.30 +/- 0.77   0.086% *  0.2881% (0.69   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    VAL   43   8.27 +/- 0.49   0.082% *  0.2374% (0.57   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    VAL   43   8.71 +/- 0.21   0.054% *  0.1046% (0.25   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    VAL   43  11.64 +/- 0.25   0.010% *  0.1166% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    VAL   43  11.40 +/- 0.68   0.013% *  0.0647% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.55 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 = 59.8:
    * O T QG2   VAL   43 - HA    VAL   43   2.18 +/- 0.11  99.625% * 99.0348% (0.69   3.00  59.82) =  99.998%  kept
        T QD2   LEU   31 - HA    VAL   43   5.71 +/- 0.29   0.316% *  0.6979% (0.73   0.02   0.02) =   0.002%
          QG2   VAL   83 - HA    VAL   43   7.59 +/- 0.41   0.060% *  0.2672% (0.28   0.02   0.02) =   0.000%
    Distance limit 5.42 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 = 59.8:
    * O T HA    VAL   43 - HB    VAL   43   2.99 +/- 0.02  99.948% * 98.8491% (0.97   3.30  59.82) = 100.000%  kept
          HA    HIS   22 - HB    VAL   43  13.57 +/- 0.39   0.012% *  0.4799% (0.77   0.02   0.02) =   0.000%
          HA    LEU   71 - HB    VAL   43  11.22 +/- 0.30   0.037% *  0.1334% (0.21   0.02   0.02) =   0.000%
          HA    ASN   69 - HB    VAL   43  16.53 +/- 0.37   0.004% *  0.5375% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 3.71, residual support = 59.8:
    * O T QG1   VAL   43 - HB    VAL   43   2.13 +/- 0.01  99.330% * 97.5753% (0.87   3.71  59.82) =  99.998%  kept
          QD2   LEU   73 - HB    VAL   43   6.49 +/- 1.39   0.511% *  0.3082% (0.51   0.02   8.15) =   0.002%
        T QG1   VAL   41 - HB    VAL   43   7.12 +/- 0.65   0.086% *  0.5806% (0.96   0.02   1.72) =   0.001%
          HG    LEU   31 - HB    VAL   43   8.74 +/- 0.67   0.024% *  0.4024% (0.66   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB    VAL   43   9.38 +/- 0.67   0.015% *  0.4024% (0.66   0.02   0.02) =   0.000%
          QG2   THR   46 - HB    VAL   43   9.13 +/- 0.42   0.017% *  0.3317% (0.55   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    VAL   43  10.86 +/- 0.32   0.006% *  0.1461% (0.24   0.02   0.02) =   0.000%
        T QD2   LEU  104 - HB    VAL   43  10.48 +/- 0.62   0.008% *  0.0904% (0.15   0.02   0.02) =   0.000%
          QD1   ILE   56 - HB    VAL   43  11.64 +/- 0.28   0.004% *  0.1629% (0.27   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 59.8:
    * O T QG2   VAL   43 - HB    VAL   43   2.13 +/- 0.01  99.720% * 98.9992% (0.66   2.89  59.82) =  99.998%  kept
        T QD2   LEU   31 - HB    VAL   43   6.25 +/- 0.22   0.161% *  0.7237% (0.70   0.02   0.02) =   0.001%
          QG2   VAL   83 - HB    VAL   43   6.61 +/- 0.33   0.119% *  0.2771% (0.27   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 4.36, residual support = 59.8:
    * O T HA    VAL   43 - QG1   VAL   43   2.60 +/- 0.10  99.856% * 99.1264% (0.90   4.36  59.82) = 100.000%  kept
          HA    LEU   71 - QG1   VAL   43   7.98 +/- 0.35   0.122% *  0.1013% (0.20   0.02   0.02) =   0.000%
          HA    HIS   22 - QG1   VAL   43  11.57 +/- 0.48   0.013% *  0.3643% (0.72   0.02   0.02) =   0.000%
          HA    ASN   69 - QG1   VAL   43  12.46 +/- 0.31   0.008% *  0.4080% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 3.71, residual support = 59.8:
    * O T HB    VAL   43 - QG1   VAL   43   2.13 +/- 0.01  99.971% * 98.6162% (0.87   3.71  59.82) = 100.000%  kept
          HB2   LYS+  99 - QG1   VAL   43   8.69 +/- 0.68   0.025% *  0.5490% (0.89   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   43  12.94 +/- 0.42   0.002% *  0.5453% (0.89   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   43  13.08 +/- 0.58   0.002% *  0.2895% (0.47   0.02   0.02) =   0.000%
    Distance limit 2.83 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 = 3.84, residual support = 59.8:
    * O T QG2   VAL   43 - QG1   VAL   43   2.07 +/- 0.03  96.892% * 99.2442% (0.62   3.84  59.82) =  99.983%  kept
        T QD2   LEU   31 - QG1   VAL   43   3.80 +/- 0.27   2.823% *  0.5465% (0.65   0.02   0.02) =   0.016%
          QG2   VAL   83 - QG1   VAL   43   5.52 +/- 0.29   0.285% *  0.2093% (0.25   0.02   0.02) =   0.001%
    Distance limit 2.63 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 = 59.8:
    * O T HB    VAL   43 - QG2   VAL   43   2.13 +/- 0.01  99.815% * 97.5441% (0.66   2.89  59.82) = 100.000%  kept
        T HB    VAL   43 - QD2   LEU   31   6.25 +/- 0.22   0.161% *  0.1935% (0.19   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   VAL   43  10.86 +/- 0.41   0.006% *  0.6928% (0.68   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG2   VAL   43  11.23 +/- 0.63   0.005% *  0.6974% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD2   LEU   31  10.81 +/- 0.97   0.007% *  0.2001% (0.20   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG2   VAL   43  12.94 +/- 0.40   0.002% *  0.3677% (0.36   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   31  13.39 +/- 0.53   0.002% *  0.1988% (0.20   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU   31  12.97 +/- 0.51   0.002% *  0.1055% (0.10   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 4.28, residual support = 97.9:
    * O T QG1   VAL   43 - QG2   VAL   43   2.07 +/- 0.03  50.320% * 73.1880% (0.62   3.84  59.82) =  77.905%  kept
      O T HG    LEU   31 - QD2   LEU   31   2.12 +/- 0.01  42.551% * 24.5220% (0.14   5.85 232.22) =  22.073%  kept
          QD2   LEU   73 - QG2   VAL   43   4.54 +/- 1.08   2.462% *  0.2237% (0.36   0.02   8.15) =   0.012%
          QG1   VAL   41 - QD2   LEU   31   3.89 +/- 0.57   1.495% *  0.1209% (0.20   0.02   0.02) =   0.004%
        T QG1   VAL   43 - QD2   LEU   31   3.80 +/- 0.27   1.446% *  0.1094% (0.18   0.02   0.02) =   0.003%
          QD2   LEU   73 - QD2   LEU   31   3.88 +/- 0.35   1.364% *  0.0642% (0.10   0.02   3.24) =   0.002%
          QG1   VAL   41 - QG2   VAL   43   6.09 +/- 0.38   0.085% *  0.4214% (0.68   0.02   1.72) =   0.001%
        T HG    LEU   31 - QG2   VAL   43   5.95 +/- 0.43   0.098% *  0.2920% (0.47   0.02   0.02) =   0.001%
          QG2   THR   46 - QG2   VAL   43   6.75 +/- 0.45   0.046% *  0.2407% (0.39   0.02   0.02) =   0.000%
          QG2   VAL   18 - QG2   VAL   43   7.48 +/- 0.61   0.025% *  0.2920% (0.47   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   31   6.27 +/- 0.26   0.068% *  0.0304% (0.05   0.02   0.02) =   0.000%
          QD1   ILE   19 - QG2   VAL   43   7.71 +/- 0.22   0.019% *  0.1060% (0.17   0.02   0.02) =   0.000%
          QG2   VAL   18 - QD2   LEU   31   9.21 +/- 0.44   0.007% *  0.0838% (0.14   0.02   0.02) =   0.000%
          QD1   ILE   56 - QG2   VAL   43  10.52 +/- 0.29   0.003% *  0.1182% (0.19   0.02   0.02) =   0.000%
          QD2   LEU  104 - QG2   VAL   43  10.08 +/- 0.58   0.004% *  0.0656% (0.11   0.02   0.02) =   0.000%
          QG2   THR   46 - QD2   LEU   31  10.06 +/- 0.34   0.004% *  0.0691% (0.11   0.02   0.02) =   0.000%
          QD2   LEU  104 - QD2   LEU   31  10.40 +/- 0.79   0.003% *  0.0188% (0.03   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD2   LEU   31  14.45 +/- 0.20   0.000% *  0.0339% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 34.8:
    * O T HB2   ASP-  44 - HA    ASP-  44   3.03 +/- 0.05  99.406% * 95.9617% (1.00   2.68  34.83) =  99.996%  kept
          HB3   PHE   72 - HA    ASP-  44   7.70 +/- 0.82   0.440% *  0.7026% (0.98   0.02   0.02) =   0.003%
          QG    GLN   90 - HA    ASP-  44  10.56 +/- 0.47   0.058% *  0.6781% (0.95   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  44  10.71 +/- 0.75   0.055% *  0.4637% (0.65   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HA    ASP-  44  15.32 +/- 1.26   0.007% *  0.7026% (0.98   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HA    ASP-  44  16.49 +/- 1.99   0.006% *  0.7152% (1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP-  44  12.20 +/- 0.45   0.024% *  0.1419% (0.20   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  44  16.77 +/- 0.59   0.004% *  0.1993% (0.28   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    ASP-  44  23.99 +/- 2.59   0.001% *  0.4348% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 34.8:
    * O T HB3   ASP-  44 - HA    ASP-  44   2.45 +/- 0.11  99.470% * 95.3726% (1.00   3.31  34.83) =  99.997%  kept
          HB3   PRO   93 - HA    ASP-  44   6.50 +/- 0.56   0.323% *  0.4408% (0.76   0.02   0.02) =   0.002%
          HB2   LEU   63 - HA    ASP-  44   8.30 +/- 0.33   0.068% *  0.5653% (0.98   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ASP-  44   8.27 +/- 0.27   0.070% *  0.4618% (0.80   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ASP-  44   9.86 +/- 0.92   0.027% *  0.5172% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASP-  44  11.40 +/- 1.35   0.013% *  0.5324% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASP-  44  10.47 +/- 0.89   0.019% *  0.1284% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASP-  44  13.45 +/- 0.35   0.004% *  0.4188% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ASP-  44  14.30 +/- 0.45   0.003% *  0.4618% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ASP-  44  15.84 +/- 0.46   0.001% *  0.2586% (0.45   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ASP-  44  18.32 +/- 0.58   0.001% *  0.5566% (0.97   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASP-  44  15.01 +/- 0.40   0.002% *  0.0890% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ASP-  44  20.47 +/- 0.37   0.000% *  0.1967% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 34.8:
    * O T HA    ASP-  44 - HB2   ASP-  44   3.03 +/- 0.05  99.420% * 95.0609% (1.00   2.68  34.83) =  99.999%  kept
          HA    ALA   57 - HB2   ASP-  44   7.39 +/- 0.42   0.496% *  0.1244% (0.18   0.02   0.02) =   0.001%
          HB    THR   77 - HB2   ASP-  44  11.43 +/- 0.44   0.035% *  0.7038% (0.99   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  44  13.90 +/- 0.35   0.011% *  0.6717% (0.95   0.02   0.02) =   0.000%
          HA    SER   85 - HB2   ASP-  44  15.15 +/- 0.43   0.006% *  0.7038% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB2   ASP-  44  14.27 +/- 0.43   0.009% *  0.4307% (0.61   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   ASP-  44  14.96 +/- 0.43   0.007% *  0.2919% (0.41   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   ASP-  44  16.33 +/- 0.39   0.004% *  0.3736% (0.53   0.02   0.02) =   0.000%
        T HA    GLU-  14 - HB2   ASP-  44  16.38 +/- 1.49   0.005% *  0.2665% (0.38   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   ASP-  44  16.70 +/- 0.36   0.004% *  0.3184% (0.45   0.02   0.02) =   0.000%
        T HA    MET   11 - HB2   ASP-  44  23.91 +/- 2.80   0.001% *  0.7085% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  44  21.59 +/- 1.94   0.001% *  0.3456% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 34.8:
    * O T HB3   ASP-  44 - HB2   ASP-  44   1.75 +/- 0.00  99.957% * 93.4112% (1.00   2.28  34.83) = 100.000%  kept
          HB2   LEU   63 - HB2   ASP-  44   7.42 +/- 0.52   0.019% *  0.8049% (0.98   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB2   ASP-  44   7.77 +/- 0.80   0.016% *  0.6276% (0.76   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   ASP-  44   9.53 +/- 0.32   0.004% *  0.6576% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   ASP-  44  11.79 +/- 1.33   0.001% *  0.7581% (0.92   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   ASP-  44  11.49 +/- 0.86   0.001% *  0.7365% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   ASP-  44  14.25 +/- 0.60   0.000% *  0.6576% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   ASP-  44  15.54 +/- 0.51   0.000% *  0.5963% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB2   ASP-  44  13.03 +/- 0.91   0.001% *  0.1828% (0.22   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   ASP-  44  18.30 +/- 0.53   0.000% *  0.7925% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   ASP-  44  16.46 +/- 0.71   0.000% *  0.3682% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   ASP-  44  15.87 +/- 0.49   0.000% *  0.1267% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   ASP-  44  20.52 +/- 0.46   0.000% *  0.2801% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 34.8:
    * O T HA    ASP-  44 - HB3   ASP-  44   2.45 +/- 0.11  99.785% * 95.9638% (1.00   3.31  34.83) = 100.000%  kept
          HA    ALA   57 - HB3   ASP-  44   7.16 +/- 0.54   0.192% *  0.1016% (0.18   0.02   0.02) =   0.000%
          HB    THR   77 - HB3   ASP-  44  11.82 +/- 0.51   0.009% *  0.5752% (0.99   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  44  13.13 +/- 0.62   0.004% *  0.5489% (0.95   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   ASP-  44  15.26 +/- 0.53   0.002% *  0.5752% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB3   ASP-  44  15.36 +/- 0.56   0.002% *  0.3520% (0.61   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   ASP-  44  14.94 +/- 0.64   0.002% *  0.2386% (0.41   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   ASP-  44  16.20 +/- 0.67   0.001% *  0.3053% (0.53   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   ASP-  44  16.81 +/- 0.38   0.001% *  0.2602% (0.45   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  44  17.36 +/- 1.49   0.001% *  0.2178% (0.38   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  44  24.98 +/- 2.93   0.000% *  0.5790% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  44  22.64 +/- 1.97   0.000% *  0.2825% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 34.8:
    * O T HB2   ASP-  44 - HB3   ASP-  44   1.75 +/- 0.00  99.917% * 95.2812% (1.00   2.28  34.83) =  99.999%  kept
          HB3   PHE   72 - HB3   ASP-  44   6.09 +/- 0.74   0.077% *  0.8210% (0.98   0.02   0.02) =   0.001%
          HG12  ILE  119 - HB3   ASP-  44   9.87 +/- 0.85   0.004% *  0.5419% (0.65   0.02   0.02) =   0.000%
          QG    GLN   90 - HB3   ASP-  44  12.38 +/- 0.71   0.001% *  0.7924% (0.95   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   ASP-  44  14.05 +/- 1.28   0.000% *  0.8210% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   ASP-  44  15.14 +/- 2.01   0.000% *  0.8358% (1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP-  44  13.29 +/- 0.61   0.001% *  0.1658% (0.20   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP-  44  16.84 +/- 0.77   0.000% *  0.2329% (0.28   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   ASP-  44  22.84 +/- 2.57   0.000% *  0.5080% (0.61   0.02   0.02) =   0.000%
    Distance limit 2.77 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 = 77.1:
    * O T HB2   PHE   45 - HA    PHE   45   3.07 +/- 0.00  99.248% * 99.2086% (1.00   3.31  77.13) =  99.998%  kept
          HB2   CYS   21 - HA    PHE   45   6.98 +/- 0.30   0.745% *  0.2248% (0.38   0.02   0.02) =   0.002%
          QE    LYS+ 111 - HA    PHE   45  15.29 +/- 0.50   0.007% *  0.5666% (0.95   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 456 (2.42, 4.86, 58.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 77.1:
    * O T HB3   PHE   45 - HA    PHE   45   2.63 +/- 0.02  99.962% * 98.3890% (1.00   4.00  77.13) = 100.000%  kept
          HB    VAL  107 - HA    PHE   45  10.86 +/- 0.26   0.021% *  0.3760% (0.76   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    PHE   45  13.79 +/- 0.59   0.005% *  0.4919% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    PHE   45  12.98 +/- 0.36   0.007% *  0.2395% (0.49   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    PHE   45  17.70 +/- 0.56   0.001% *  0.3182% (0.65   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    PHE   45  15.51 +/- 0.61   0.002% *  0.0759% (0.15   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    PHE   45  17.01 +/- 1.08   0.002% *  0.1095% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 77.1:
    * O T HA    PHE   45 - HB2   PHE   45   3.07 +/- 0.00  99.984% * 99.4859% (1.00   3.31  77.13) = 100.000%  kept
          HA    VAL   41 - HB2   PHE   45  13.45 +/- 0.22   0.014% *  0.3643% (0.61   0.02   0.02) =   0.000%
          HA    HIS  122 - HB2   PHE   45  18.81 +/- 0.41   0.002% *  0.1498% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 77.1:
    * O T HB3   PHE   45 - HB2   PHE   45   1.75 +/- 0.00  99.993% * 98.0611% (1.00   3.31  77.13) = 100.000%  kept
          HB    VAL  107 - HB2   PHE   45   8.97 +/- 0.28   0.006% *  0.4525% (0.76   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   PHE   45  13.17 +/- 0.63   0.001% *  0.5921% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   PHE   45  12.19 +/- 0.37   0.001% *  0.2882% (0.49   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   PHE   45  19.82 +/- 0.52   0.000% *  0.3830% (0.65   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   PHE   45  15.96 +/- 0.65   0.000% *  0.0914% (0.15   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   45  18.33 +/- 1.12   0.000% *  0.1318% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.77 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 = 77.1:
    * O T HA    PHE   45 - HB3   PHE   45   2.63 +/- 0.02  99.996% * 99.5739% (1.00   4.00  77.13) = 100.000%  kept
          HA    VAL   41 - HB3   PHE   45  14.37 +/- 0.18   0.004% *  0.3020% (0.61   0.02   0.02) =   0.000%
          HA    HIS  122 - HB3   PHE   45  20.41 +/- 0.37   0.000% *  0.1241% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 77.1:
    * O T HB2   PHE   45 - HB3   PHE   45   1.75 +/- 0.00  99.994% * 99.2086% (1.00   3.31  77.13) = 100.000%  kept
          HB2   CYS   21 - HB3   PHE   45   8.92 +/- 0.31   0.006% *  0.2248% (0.38   0.02   0.02) =   0.000%
          QE    LYS+ 111 - HB3   PHE   45  14.27 +/- 0.47   0.000% *  0.5666% (0.95   0.02   0.02) =   0.000%
    Distance limit 2.73 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   2.55 +/- 0.09  99.993% * 96.3986% (1.00   3.00  34.52) = 100.000%  kept
          HA    LYS+ 112 - HA    THR   46  13.39 +/- 0.34   0.005% *  0.4158% (0.65   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   37  17.47 +/- 0.81   0.001% *  0.5711% (0.89   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    THR   46  19.40 +/- 0.37   0.001% *  0.5764% (0.90   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   13  22.09 +/- 1.78   0.000% *  0.3890% (0.61   0.02   0.02) =   0.000%
          HB2   HIS  122 - HA    SER   13  22.32 +/- 1.07   0.000% *  0.3488% (0.54   0.02   0.02) =   0.000%
        T HB    THR   46 - HA    SER   37  24.67 +/- 0.62   0.000% *  0.6368% (0.99   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   37  29.40 +/- 0.46   0.000% *  0.4120% (0.64   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HA    SER   13  29.85 +/- 1.05   0.000% *  0.2516% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.25 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   3.18 +/- 0.16  96.627% * 92.3982% (1.00   3.00  34.52) =  99.987%  kept
          QD1   ILE   19 - HA    SER   13   8.38 +/- 2.26   2.243% *  0.3114% (0.51   0.02   0.02) =   0.008%
          QG1   VAL   41 - HA    SER   37   7.45 +/- 0.48   0.666% *  0.3948% (0.64   0.02   0.02) =   0.003%
          QG2   VAL   18 - HA    THR   46   9.37 +/- 0.66   0.165% *  0.6038% (0.98   0.02   0.02) =   0.001%
          QG1   VAL   43 - HA    THR   46  10.25 +/- 0.16   0.090% *  0.5145% (0.84   0.02   0.02) =   0.001%
          QG1   VAL   43 - HA    SER   37  12.53 +/- 0.20   0.027% *  0.5098% (0.83   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    SER   37  12.70 +/- 0.48   0.026% *  0.5098% (0.83   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   13  12.43 +/- 1.05   0.033% *  0.3654% (0.59   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    THR   46  13.00 +/- 0.35   0.022% *  0.5145% (0.84   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   37  12.97 +/- 0.49   0.023% *  0.4193% (0.68   0.02   0.02) =   0.000%
          QG2   VAL   18 - HA    SER   37  15.69 +/- 0.55   0.007% *  0.5983% (0.97   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    THR   46  15.01 +/- 0.41   0.009% *  0.3985% (0.65   0.02   0.02) =   0.000%
          QG1   VAL   41 - HA    SER   13  14.74 +/- 2.10   0.014% *  0.2412% (0.39   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   37  12.90 +/- 0.63   0.023% *  0.0942% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   43 - HA    SER   13  16.63 +/- 2.12   0.007% *  0.3114% (0.51   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    THR   46  17.97 +/- 0.58   0.003% *  0.4231% (0.69   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   13  18.14 +/- 1.82   0.003% *  0.3728% (0.61   0.02   0.02) =   0.000%
        T QG2   THR   46 - HA    SER   37  20.86 +/- 0.42   0.001% *  0.6103% (0.99   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    THR   46  16.33 +/- 0.34   0.005% *  0.0950% (0.15   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    SER   13  17.80 +/- 3.12   0.006% *  0.0575% (0.09   0.02   0.02) =   0.000%
          QD2   LEU  104 - HA    SER   13  21.91 +/- 1.57   0.001% *  0.2561% (0.42   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   2.55 +/- 0.09  99.971% * 96.8633% (1.00   3.00  34.52) = 100.000%  kept
          HA    PRO   58 - HB    THR   46  11.09 +/- 0.47   0.015% *  0.3917% (0.61   0.02   0.02) =   0.000%
          HA    VAL   42 - HB    THR   46  12.50 +/- 0.48   0.008% *  0.3398% (0.53   0.02   0.02) =   0.000%
          HA    GLN   17 - HB    THR   46  13.88 +/- 0.58   0.004% *  0.6401% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    THR   46  17.36 +/- 0.68   0.001% *  0.4178% (0.65   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    THR   46  18.74 +/- 0.48   0.001% *  0.2895% (0.45   0.02   0.02) =   0.000%
        T HA    SER   13 - HB    THR   46  22.09 +/- 1.78   0.000% *  0.4178% (0.65   0.02   0.02) =   0.000%
        T HA    SER   37 - HB    THR   46  24.67 +/- 0.62   0.000% *  0.6401% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.12 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  99.913% * 97.3149% (1.00   3.00  34.52) =  99.999%  kept
          QG2   VAL   18 - HB    THR   46   7.55 +/- 0.70   0.068% *  0.6359% (0.98   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB    THR   46   9.93 +/- 0.41   0.011% *  0.5419% (0.84   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB    THR   46  11.32 +/- 0.50   0.005% *  0.5419% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB    THR   46  14.30 +/- 0.43   0.001% *  0.4197% (0.65   0.02   0.02) =   0.000%
          QD2   LEU  104 - HB    THR   46  17.94 +/- 0.71   0.000% *  0.4456% (0.69   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    THR   46  15.59 +/- 0.54   0.001% *  0.1001% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.09 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   3.18 +/- 0.16  99.818% * 96.8635% (1.00   3.00  34.52) =  99.999%  kept
          HA    PRO   58 - QG2   THR   46  10.59 +/- 0.52   0.076% *  0.3917% (0.61   0.02   0.02) =   0.000%
          HA    GLN   17 - QG2   THR   46  12.04 +/- 0.72   0.036% *  0.6400% (0.99   0.02   0.02) =   0.000%
          HA    VAL   42 - QG2   THR   46  11.43 +/- 0.49   0.048% *  0.3397% (0.53   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG2   THR   46  14.57 +/- 0.60   0.012% *  0.4177% (0.65   0.02   0.02) =   0.000%
          HA    LEU   40 - QG2   THR   46  16.47 +/- 0.47   0.005% *  0.2895% (0.45   0.02   0.02) =   0.000%
        T HA    SER   13 - QG2   THR   46  18.14 +/- 1.82   0.004% *  0.4177% (0.65   0.02   0.02) =   0.000%
        T HA    SER   37 - QG2   THR   46  20.86 +/- 0.42   0.001% *  0.6400% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 470 (3.44, 0.75, 18.88 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 34.5:
    * O T HB    THR   46 - QG2   THR   46   2.17 +/- 0.01  99.998% * 98.9813% (1.00   3.00  34.52) = 100.000%  kept
          HA    LYS+ 112 - QG2   THR   46  13.43 +/- 0.60   0.002% *  0.4269% (0.65   0.02   0.02) =   0.000%
          HB2   HIS  122 - QG2   THR   46  16.99 +/- 0.64   0.000% *  0.5918% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 471 (0.75, 0.75, 18.88 ppm):
    1 diagonal assignment:
    *     QG2   THR   46 - QG2   THR   46  (1.00)  kept
 
    Peak 472 (4.56, 4.56, 52.00 ppm):
    1 diagonal assignment:
    *     HA    ALA   47 - HA    ALA   47  (1.00)  kept
 
    Peak 473 (0.37, 4.56, 52.00 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.0, residual support = 9.82:
    * O T QB    ALA   47 - HA    ALA   47   2.15 +/- 0.01  99.996% * 98.2324% (0.95   2.00   9.82) = 100.000%  kept
        T QG1   VAL   42 - HA    ALA   47  13.08 +/- 0.38   0.002% *  0.9008% (0.87   0.02   0.02) =   0.000%
          QB    ALA   64 - HA    ALA   47  14.53 +/- 0.31   0.001% *  0.3205% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    ALA   47  16.67 +/- 0.84   0.000% *  0.5463% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 0.869, support = 2.33, residual support = 9.89:
    * O T HA    ALA   47 - QB    ALA   47   2.15 +/- 0.01  83.963% * 50.1321% (0.95   2.00   9.82) =  85.207%  kept
          HA    CYS   50 - QB    ALA   47   2.85 +/- 0.05  15.318% * 47.6973% (0.42   4.24  10.28) =  14.790%  kept
          HA    TRP   49 - QB    ALA   47   4.85 +/- 0.06   0.635% *  0.1394% (0.26   0.02  16.87) =   0.002%
          HA1   GLY  109 - QB    ALA   47   7.68 +/- 0.70   0.046% *  0.2061% (0.39   0.02   0.02) =   0.000%
          HA    VAL  108 - QG1   VAL   42   9.23 +/- 0.41   0.014% *  0.3764% (0.71   0.02   0.02) =   0.000%
          HA    VAL  108 - QB    ALA   47   9.76 +/- 0.56   0.010% *  0.4914% (0.93   0.02   0.02) =   0.000%
          HA1   GLY  109 - QG1   VAL   42  11.30 +/- 0.48   0.004% *  0.1579% (0.30   0.02   0.02) =   0.000%
        T HA    ALA   47 - QG1   VAL   42  13.08 +/- 0.38   0.002% *  0.3840% (0.72   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL   42  12.82 +/- 0.33   0.002% *  0.1721% (0.32   0.02   0.02) =   0.000%
          HA    CYS   21 - QG1   VAL   42  11.67 +/- 0.59   0.003% *  0.0592% (0.11   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    ALA   47  12.82 +/- 0.43   0.002% *  0.0774% (0.15   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL   42  16.96 +/- 0.35   0.000% *  0.1068% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 1.92, residual support = 9.76:
    * O T QB    SER   48 - HA    SER   48   2.29 +/- 0.09  99.267% * 89.5826% (1.00   1.92   9.76) =  99.998%  kept
        T QB    SER   85 - HB2   SER   82   5.33 +/- 0.13   0.642% *  0.2491% (0.27   0.02   1.60) =   0.002%
          HA2   GLY   51 - HA    SER   48   8.90 +/- 0.05   0.030% *  0.8379% (0.90   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    VAL   70   9.29 +/- 1.36   0.031% *  0.1291% (0.14   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER   48  13.44 +/- 0.29   0.003% *  0.9158% (0.98   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    VAL   70  10.62 +/- 0.55   0.011% *  0.1120% (0.12   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER   48  14.38 +/- 0.65   0.002% *  0.5667% (0.61   0.02   0.02) =   0.000%
        T QB    SER   48 - HB2   SER   82  13.84 +/- 0.59   0.002% *  0.4108% (0.44   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   SER   82  15.15 +/- 0.45   0.001% *  0.4026% (0.43   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    VAL   70  14.70 +/- 0.57   0.001% *  0.2013% (0.22   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    VAL   70  15.26 +/- 0.69   0.001% *  0.1965% (0.21   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    VAL   70  11.59 +/- 0.21   0.006% *  0.0328% (0.04   0.02   0.02) =   0.000%
          HA    PHE   60 - HA    SER   48  16.57 +/- 0.39   0.001% *  0.1442% (0.15   0.02   0.02) =   0.000%
          HB    THR   94 - HA    VAL   70  18.16 +/- 0.39   0.000% *  0.2086% (0.22   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    VAL   70  17.49 +/- 0.39   0.001% *  0.1377% (0.15   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   48  22.11 +/- 0.65   0.000% *  0.4915% (0.53   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   48  23.15 +/- 0.44   0.000% *  0.6044% (0.65   0.02   0.02) =   0.000%
        T HA2   GLY   16 - HA    SER   48  23.70 +/- 0.90   0.000% *  0.5667% (0.61   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   SER   82  23.34 +/- 0.47   0.000% *  0.3684% (0.39   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   48  27.62 +/- 0.43   0.000% *  0.8625% (0.92   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   48  28.83 +/- 0.27   0.000% *  0.8838% (0.95   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    VAL   70  24.04 +/- 0.41   0.000% *  0.2128% (0.23   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    VAL   70  22.27 +/- 0.37   0.000% *  0.1291% (0.14   0.02   0.02) =   0.000%
        T QB    SER  117 - HB2   SER   82  26.96 +/- 0.54   0.000% *  0.2657% (0.28   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    VAL   70  26.66 +/- 0.41   0.000% *  0.1909% (0.20   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   SER   82  28.46 +/- 0.81   0.000% *  0.2491% (0.27   0.02   0.02) =   0.000%
          HA    PHE   60 - HB2   SER   82  23.16 +/- 0.33   0.000% *  0.0634% (0.07   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   SER   82  31.45 +/- 0.39   0.000% *  0.3886% (0.42   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   SER   82  29.03 +/- 0.43   0.000% *  0.2161% (0.23   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   SER   82  32.64 +/- 0.39   0.000% *  0.3792% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 478 (3.99, 3.94, 63.31 ppm):
    1 diagonal assignment:
          QB    SER   85 - QB    SER   85  (0.03)  kept
    Reference assignment not found: HA    SER   48 - QB    SER   48
 
    Peak 479 (3.94, 3.94, 63.31 ppm):
    3 diagonal assignments:
    *     QB    SER   48 - QB    SER   48  (1.00)  kept
          QB    SER  117 - QB    SER  117  (0.17)  kept
          QB    SER   85 - QB    SER   85  (0.15)  kept
 
    Peak 480 (4.58, 4.58, 54.06 ppm):
    2 diagonal assignments:
    *     HA    TRP   49 - HA    TRP   49  (1.00)  kept
          HA    CYS   50 - HA    CYS   50  (0.89)  kept
 
    Peak 481 (3.69, 4.58, 54.06 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.59, residual support = 70.3:
    * O T HB2   TRP   49 - HA    TRP   49   2.39 +/- 0.02  99.299% * 95.5078% (1.00   3.59  70.30) =  99.996%  kept
        T HB2   TRP   49 - HA    CYS   50   5.50 +/- 0.02   0.671% *  0.5011% (0.94   0.02   2.36) =   0.004%
        T HA2   GLY  109 - HA    CYS   50  10.88 +/- 0.61   0.012% *  0.4013% (0.75   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    CYS   50  13.96 +/- 0.46   0.003% *  0.4740% (0.89   0.02   0.02) =   0.000%
        T HA2   GLY  109 - HA    TRP   49  15.26 +/- 0.81   0.002% *  0.4257% (0.80   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    CYS   50  11.26 +/- 0.30   0.009% *  0.0678% (0.13   0.02   0.02) =   0.000%
          HA    ALA   84 - HA    TRP   49  17.07 +/- 0.46   0.001% *  0.5029% (0.95   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    CYS   50  18.79 +/- 0.34   0.000% *  0.4967% (0.93   0.02   0.02) =   0.000%
          HA    VAL   75 - HA    TRP   49  13.91 +/- 0.39   0.003% *  0.0720% (0.14   0.02   0.02) =   0.000%
          HA    THR  118 - HA    CYS   50  19.87 +/- 0.21   0.000% *  0.4967% (0.93   0.02   0.02) =   0.000%
          HA    ILE  119 - HA    TRP   49  23.97 +/- 0.36   0.000% *  0.5270% (0.99   0.02   0.02) =   0.000%
          HA    THR  118 - HA    TRP   49  25.15 +/- 0.20   0.000% *  0.5270% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 482 (3.15, 4.58, 54.06 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.88, residual support = 70.3:
    * O T HB3   TRP   49 - HA    TRP   49   2.45 +/- 0.02  99.507% * 98.5764% (0.84   3.88  70.30) =  99.998%  kept
        T HB3   TRP   49 - HA    CYS   50   5.96 +/- 0.05   0.484% *  0.4784% (0.79   0.02   2.36) =   0.002%
          HB3   PHE   59 - HA    CYS   50  11.90 +/- 0.67   0.008% *  0.4586% (0.75   0.02   0.02) =   0.000%
          HB3   PHE   59 - HA    TRP   49  16.88 +/- 0.68   0.001% *  0.4866% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 3.59, residual support = 70.3:
    * O T HA    TRP   49 - HB2   TRP   49   2.39 +/- 0.02  99.222% * 97.8325% (1.00   3.59  70.30) =  99.996%  kept
        T HA    CYS   50 - HB2   TRP   49   5.50 +/- 0.02   0.671% *  0.5152% (0.95   0.02   2.36) =   0.004%
          HA    ALA   47 - HB2   TRP   49   7.53 +/- 0.03   0.102% *  0.1514% (0.28   0.02  16.87) =   0.000%
        T HA1   GLY  109 - HB2   TRP   49  12.96 +/- 0.74   0.004% *  0.5256% (0.97   0.02   0.02) =   0.000%
          HA    CYS   21 - HB2   TRP   49  19.21 +/- 0.71   0.000% *  0.5152% (0.95   0.02   0.02) =   0.000%
          HA    VAL  108 - HB2   TRP   49  16.44 +/- 0.68   0.001% *  0.1078% (0.20   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   TRP   49  30.82 +/- 0.26   0.000% *  0.3523% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 70.3:
    * O T HB3   TRP   49 - HB2   TRP   49   1.75 +/- 0.00 100.000% * 99.3650% (0.84   3.00  70.30) = 100.000%  kept
          HB3   PHE   59 - HB2   TRP   49  16.74 +/- 0.65   0.000% *  0.6350% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 486 (4.58, 3.15, 29.61 ppm):
    7 chemical-shift based assignments, quality = 0.835, support = 3.88, residual support = 70.3:
    * O T HA    TRP   49 - HB3   TRP   49   2.45 +/- 0.02  99.271% * 97.9920% (0.84   3.88  70.30) =  99.997%  kept
        T HA    CYS   50 - HB3   TRP   49   5.96 +/- 0.05   0.483% *  0.4773% (0.79   0.02   2.36) =   0.002%
          HA    ALA   47 - HB3   TRP   49   6.70 +/- 0.05   0.240% *  0.1403% (0.23   0.02  16.87) =   0.000%
          HA1   GLY  109 - HB3   TRP   49  13.28 +/- 0.81   0.004% *  0.4869% (0.81   0.02   0.02) =   0.000%
          HA    CYS   21 - HB3   TRP   49  18.60 +/- 0.73   0.001% *  0.4773% (0.79   0.02   0.02) =   0.000%
          HA    VAL  108 - HB3   TRP   49  16.56 +/- 0.73   0.001% *  0.0998% (0.17   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   TRP   49  30.53 +/- 0.33   0.000% *  0.3264% (0.54   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 70.3:
    * O T HB2   TRP   49 - HB3   TRP   49   1.75 +/- 0.00  99.999% * 97.4885% (0.84   3.00  70.30) = 100.000%  kept
          HA2   GLY  109 - HB3   TRP   49  14.44 +/- 0.99   0.000% *  0.5204% (0.67   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   TRP   49  16.66 +/- 0.48   0.000% *  0.6148% (0.79   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   TRP   49  14.71 +/- 0.31   0.000% *  0.0880% (0.11   0.02   0.02) =   0.000%
          HA    ILE  119 - HB3   TRP   49  24.60 +/- 0.37   0.000% *  0.6442% (0.83   0.02   0.02) =   0.000%
          HA    THR  118 - HB3   TRP   49  25.34 +/- 0.35   0.000% *  0.6442% (0.83   0.02   0.02) =   0.000%
    Distance limit 2.53 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 = 1.58, residual support = 6.79:
    * O T QB    CYS   50 - HA    CYS   50   2.17 +/- 0.00  98.949% * 93.2038% (1.00   1.58   6.79) =  99.988%  kept
        T QB    CYS   50 - HA    TRP   49   4.76 +/- 0.11   0.900% *  1.1118% (0.94   0.02   2.36) =   0.011%
          QE    LYS+  74 - HA    CYS   50   7.35 +/- 0.59   0.076% *  1.1770% (1.00   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HA    TRP   49   8.14 +/- 0.55   0.039% *  0.3793% (0.32   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    CYS   50   8.58 +/- 0.70   0.029% *  0.4024% (0.34   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    TRP   49  10.85 +/- 0.76   0.007% *  1.1094% (0.94   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    CYS   50  16.27 +/- 0.70   0.001% *  0.4024% (0.34   0.02   0.02) =   0.000%
          HB2   PHE   72 - HA    TRP   49  20.42 +/- 0.75   0.000% *  0.3793% (0.32   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    CYS   50  27.05 +/- 0.50   0.000% *  0.9445% (0.80   0.02   0.02) =   0.000%
          HB3   ASN   69 - HA    TRP   49  31.46 +/- 0.62   0.000% *  0.8903% (0.75   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 491 (4.58, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 1.58, residual support = 6.79:
    * O T HA    CYS   50 - QB    CYS   50   2.17 +/- 0.00  98.266% * 95.2019% (1.00   1.58   6.79) =  99.984%  kept
        T HA    TRP   49 - QB    CYS   50   4.76 +/- 0.11   0.893% *  1.1398% (0.95   0.02   2.36) =   0.011%
          HA    ALA   47 - QB    CYS   50   4.83 +/- 0.09   0.824% *  0.5402% (0.45   0.02  10.28) =   0.005%
          HA1   GLY  109 - QB    CYS   50  10.09 +/- 0.59   0.010% *  1.2022% (1.00   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    CYS   50  12.54 +/- 0.54   0.003% *  0.9648% (0.80   0.02   0.02) =   0.000%
          HA    VAL  108 - QB    CYS   50  12.20 +/- 0.67   0.003% *  0.4110% (0.34   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QB    CYS   50  23.40 +/- 0.25   0.000% *  0.5402% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 7.08, residual support = 191.0:
    * O T HA    PRO   52 - HD2   PRO   52   3.98 +/- 0.00  98.896% * 99.5275% (1.00   7.08 191.00) =  99.999%  kept
          HA    ALA   91 - HD2   PRO   52   8.81 +/- 0.42   0.880% *  0.0868% (0.31   0.02   0.02) =   0.001%
          HA    LYS+ 111 - HD2   PRO   52  11.42 +/- 0.45   0.182% *  0.1820% (0.65   0.02   0.02) =   0.000%
          HA    VAL  107 - HD2   PRO   52  14.90 +/- 0.38   0.036% *  0.0557% (0.20   0.02   0.02) =   0.000%
          HA    TRP   27 - HD2   PRO   52  19.90 +/- 0.42   0.006% *  0.1480% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.08 A, kept.
 
    Peak 494 (2.63, 3.98, 51.93 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.45, residual support = 191.0:
    * O T HB2   PRO   52 - HD2   PRO   52   3.85 +/- 0.00  99.974% * 99.7091% (1.00   6.45 191.00) = 100.000%  kept
          HB2   ASP-  62 - HD2   PRO   52  16.50 +/- 0.39   0.016% *  0.1749% (0.57   0.02   0.02) =   0.000%
        T HG2   MET   96 - HD2   PRO   52  18.13 +/- 0.38   0.009% *  0.1160% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.29 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 = 6.58, residual support = 191.0:
    * O T HB3   PRO   52 - HD2   PRO   52   4.04 +/- 0.00  84.830% * 98.2477% (1.00   6.58 191.00) =  99.982%  kept
          HG2   PRO   93 - HD2   PRO   52   5.95 +/- 0.46   9.156% *  0.0922% (0.31   0.02   3.57) =   0.010%
          HG2   ARG+  54 - HD2   PRO   52   6.40 +/- 0.48   5.863% *  0.1121% (0.38   0.02   0.02) =   0.008%
          HB3   GLN   90 - HD2   PRO   52  12.97 +/- 0.42   0.079% *  0.0591% (0.20   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HD2   PRO   52  14.34 +/- 0.60   0.044% *  0.0461% (0.15   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   PRO   52  19.12 +/- 0.44   0.008% *  0.1691% (0.57   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   52  22.03 +/- 0.40   0.003% *  0.2678% (0.90   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   52  21.91 +/- 0.55   0.003% *  0.2282% (0.76   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   PRO   52  22.90 +/- 0.54   0.003% *  0.2986% (1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   PRO   52  19.83 +/- 0.38   0.006% *  0.1019% (0.34   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   PRO   52  23.20 +/- 0.39   0.002% *  0.1228% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD2   PRO   52  26.55 +/- 0.62   0.001% *  0.1339% (0.45   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HD2   PRO   52  24.20 +/- 0.31   0.002% *  0.0745% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   52  24.74 +/- 0.39   0.002% *  0.0461% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.04 A, kept.
 
    Peak 496 (2.32, 3.98, 51.93 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.58, residual support = 191.0:
    * O T HG2   PRO   52 - HD2   PRO   52   2.64 +/- 0.28  98.947% * 98.8222% (1.00   6.58 191.00) =  99.998%  kept
          HG2   MET   92 - HD2   PRO   52   5.82 +/- 0.66   1.031% *  0.1943% (0.65   0.02   0.02) =   0.002%
          QG    GLU- 114 - HD2   PRO   52  12.87 +/- 0.75   0.009% *  0.2181% (0.73   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD2   PRO   52  13.72 +/- 0.62   0.006% *  0.2405% (0.80   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD2   PRO   52  13.53 +/- 0.17   0.006% *  0.0463% (0.15   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   52  26.43 +/- 0.52   0.000% *  0.2842% (0.95   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD2   PRO   52  32.99 +/- 0.52   0.000% *  0.1943% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 6.54, residual support = 191.0:
    * O T HG3   PRO   52 - HD2   PRO   52   2.53 +/- 0.28  98.719% * 98.7889% (1.00   6.54 191.00) =  99.999%  kept
          HB2   PRO   93 - HD2   PRO   52   5.43 +/- 0.19   1.271% *  0.0933% (0.31   0.02   3.57) =   0.001%
        T HG2   PRO   58 - HD2   PRO   52  12.13 +/- 0.22   0.010% *  0.3022% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   52  25.49 +/- 2.14   0.000% *  0.2995% (0.99   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   52  21.20 +/- 0.94   0.000% *  0.0466% (0.15   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   52  26.52 +/- 1.18   0.000% *  0.1134% (0.38   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   52  33.33 +/- 3.01   0.000% *  0.2962% (0.98   0.02   0.02) =   0.000%
        T QB    GLN   32 - HD2   PRO   52  25.43 +/- 0.48   0.000% *  0.0598% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 5.0, residual support = 191.0:
    * O T HB2   PRO   52 - HA    PRO   52   2.73 +/- 0.00  99.996% * 99.6248% (1.00   5.00 191.00) = 100.000%  kept
          HB2   ASP-  62 - HA    PRO   52  15.16 +/- 0.52   0.004% *  0.2256% (0.57   0.02   0.02) =   0.000%
        T HG2   MET   96 - HA    PRO   52  19.37 +/- 0.41   0.001% *  0.1496% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 501 (1.84, 4.51, 65.44 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.91, residual support = 191.0:
    * O T HB3   PRO   52 - HA    PRO   52   2.30 +/- 0.00  97.823% * 98.0544% (1.00   5.91 191.00) =  99.997%  kept
          HG2   ARG+  54 - HA    PRO   52   5.27 +/- 0.84   1.620% *  0.1244% (0.38   0.02   0.02) =   0.002%
          HG2   PRO   93 - HA    PRO   52   5.48 +/- 0.21   0.553% *  0.1023% (0.31   0.02   3.57) =   0.001%
          HB3   GLN   90 - HA    PRO   52  15.37 +/- 0.74   0.001% *  0.0656% (0.20   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    PRO   52  18.25 +/- 0.60   0.000% *  0.1877% (0.57   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   52  21.07 +/- 0.62   0.000% *  0.3316% (1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   52  19.36 +/- 0.40   0.000% *  0.1131% (0.34   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   52  22.91 +/- 0.44   0.000% *  0.2974% (0.90   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    PRO   52  17.46 +/- 0.65   0.001% *  0.0512% (0.15   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   52  23.27 +/- 0.51   0.000% *  0.2534% (0.76   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    PRO   52  23.79 +/- 0.39   0.000% *  0.1363% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    PRO   52  26.19 +/- 0.71   0.000% *  0.1487% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   52  25.97 +/- 0.31   0.000% *  0.0827% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   52  25.19 +/- 0.41   0.000% *  0.0512% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 0.984, support = 0.02, residual support = 183.1:
    * O T HG2   PRO   52 - HA    PRO   52   3.92 +/- 0.04  93.712% * 20.3213% (1.00   0.02 191.00) =  95.888%  kept
          HG2   MET   92 - HA    PRO   52   6.58 +/- 0.98   5.955% * 13.1459% (0.65   0.02   0.02) =   3.942%  kept
          QG    GLU- 114 - HA    PRO   52  11.19 +/- 0.75   0.187% * 14.7563% (0.73   0.02   0.02) =   0.139%
          HB2   PRO   58 - HA    PRO   52  11.71 +/- 0.33   0.133% *  3.1355% (0.15   0.02   0.02) =   0.021%
          HB2   GLU-  79 - HA    PRO   52  17.44 +/- 0.62   0.012% * 16.2720% (0.80   0.02   0.02) =   0.010%
          HG3   GLU-  25 - HA    PRO   52  29.81 +/- 0.46   0.000% * 19.2231% (0.95   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    PRO   52  34.79 +/- 0.64   0.000% * 13.1459% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.22 A, kept.
 
    Peak 503 (2.08, 4.51, 65.44 ppm):
    8 chemical-shift based assignments, quality = 0.979, support = 0.0196, residual support = 187.0:
    * O T HG3   PRO   52 - HA    PRO   52   3.94 +/- 0.04  94.418% * 19.9700% (1.00   0.02 191.00) =  97.931%  kept
          HB2   PRO   93 - HA    PRO   52   6.49 +/- 0.43   5.186% *  6.1637% (0.31   0.02   3.57) =   1.660%
        T HG2   PRO   58 - HA    PRO   52   9.87 +/- 0.42   0.392% * 19.9700% (1.00   0.02   0.02) =   0.406%
          HB2   GLU-  14 - HA    PRO   52  27.07 +/- 2.03   0.001% * 19.7933% (0.99   0.02   0.02) =   0.001%
          HB2   PRO   68 - HA    PRO   52  26.39 +/- 1.13   0.001% *  7.4950% (0.38   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   52  24.56 +/- 0.98   0.002% *  3.0813% (0.15   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   52  35.01 +/- 2.64   0.000% * 19.5746% (0.98   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   52  27.57 +/- 0.44   0.001% *  3.9520% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 20 structures by 0.74 A, eliminated.
    Peak unassigned.
 
    Peak 504 (3.98, 4.51, 65.44 ppm):
    12 chemical-shift based assignments, quality = 0.999, support = 0.02, residual support = 190.7:
    * O T HD2   PRO   52 - HA    PRO   52   3.98 +/- 0.00  99.803% * 15.7342% (1.00   0.02 191.00) =  99.868%  kept
          HA    SER   48 - HA    PRO   52  11.72 +/- 0.07   0.152% * 11.4254% (0.73   0.02   0.02) =   0.111%
          HA    ALA   88 - HA    PRO   52  18.98 +/- 0.32   0.009% * 14.5245% (0.92   0.02   0.02) =   0.008%
          QB    SER   85 - HA    PRO   52  18.54 +/- 0.64   0.010% *  7.6587% (0.49   0.02   0.02) =   0.005%
          HA    LYS+  65 - HA    PRO   52  20.68 +/- 0.40   0.005% *  8.9080% (0.57   0.02   0.02) =   0.003%
          HA    VAL   18 - HA    PRO   52  18.47 +/- 0.59   0.010% *  4.3747% (0.28   0.02   0.02) =   0.003%
          HA    ALA  120 - HA    PRO   52  20.78 +/- 0.59   0.005% *  3.1138% (0.20   0.02   0.02) =   0.001%
          HA2   GLY   16 - HA    PRO   52  24.75 +/- 0.65   0.002% *  7.6587% (0.49   0.02   0.02) =   0.001%
          HB2   SER   82 - HA    PRO   52  23.69 +/- 0.53   0.002% *  5.3671% (0.34   0.02   0.02) =   0.001%
          HA    GLN   32 - HA    PRO   52  30.52 +/- 0.29   0.000% * 14.8839% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    PRO   52  29.21 +/- 0.40   0.001% *  3.9234% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    PRO   52  31.01 +/- 0.28   0.000% *  2.4277% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 20 structures by 0.70 A, eliminated.
    Peak unassigned.
 
    Peak 505 (4.51, 2.63, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 191.0:
    * O T HA    PRO   52 - HB2   PRO   52   2.73 +/- 0.00  99.586% * 99.0230% (1.00   5.00 191.00) =  99.999%  kept
          HA    LYS+ 111 - HB2   PRO   52   7.61 +/- 0.50   0.229% *  0.2562% (0.65   0.02   0.02) =   0.001%
          HA    ALA   91 - HB2   PRO   52   8.92 +/- 0.74   0.102% *  0.1223% (0.31   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   PRO   52  11.82 +/- 0.43   0.016% *  0.0784% (0.20   0.02   0.02) =   0.000%
          HA    VAL  107 - HG2   MET   96   9.96 +/- 0.49   0.045% *  0.0230% (0.06   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   MET   96  12.19 +/- 0.59   0.013% *  0.0612% (0.15   0.02   0.02) =   0.000%
          HA    ALA   91 - HG2   MET   96  14.52 +/- 0.50   0.005% *  0.0359% (0.09   0.02   0.02) =   0.000%
          HA    LYS+ 111 - HG2   MET   96  17.11 +/- 0.55   0.002% *  0.0753% (0.19   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   PRO   52  20.87 +/- 0.33   0.001% *  0.2084% (0.53   0.02   0.02) =   0.000%
        T HA    PRO   52 - HG2   MET   96  19.37 +/- 0.41   0.001% *  0.1164% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 506 (2.63, 2.63, 32.81 ppm):
    2 diagonal assignments:
    *     HB2   PRO   52 - HB2   PRO   52  (1.00)  kept
          HG2   MET   96 - HG2   MET   96  (0.11)  kept
 
    Peak 507 (1.84, 2.63, 32.81 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.91, residual support = 191.0:
    * O T HB3   PRO   52 - HB2   PRO   52   1.75 +/- 0.00  94.789% * 97.4028% (1.00   5.91 191.00) =  99.994%  kept
          HG2   PRO   93 - HB2   PRO   52   2.97 +/- 0.28   4.613% *  0.1017% (0.31   0.02   3.57) =   0.005%
          HG12  ILE  103 - HG2   MET   96   4.33 +/- 0.40   0.498% *  0.0868% (0.26   0.02   9.02) =   0.000%
          HG2   ARG+  54 - HB2   PRO   52   7.29 +/- 0.71   0.024% *  0.1236% (0.38   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   MET   96   6.36 +/- 0.27   0.043% *  0.0398% (0.12   0.02   9.02) =   0.000%
          HB    VAL   41 - HG2   MET   96   7.81 +/- 1.34   0.019% *  0.0739% (0.22   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   MET   96   8.69 +/- 0.36   0.007% *  0.0330% (0.10   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   MET   96   9.27 +/- 0.38   0.004% *  0.0149% (0.05   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   52  13.10 +/- 0.84   0.001% *  0.0652% (0.20   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   52  17.63 +/- 0.72   0.000% *  0.1865% (0.57   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   52  20.26 +/- 0.72   0.000% *  0.3294% (1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   52  17.28 +/- 0.48   0.000% *  0.1124% (0.34   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   52  20.39 +/- 0.46   0.000% *  0.2954% (0.90   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   MET   96  14.17 +/- 0.43   0.000% *  0.0299% (0.09   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   MET   96  13.36 +/- 0.78   0.001% *  0.0191% (0.06   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   MET   96  15.88 +/- 0.56   0.000% *  0.0548% (0.17   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   52  15.77 +/- 0.68   0.000% *  0.0508% (0.15   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   MET   96  14.32 +/- 0.63   0.000% *  0.0241% (0.07   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   52  21.23 +/- 0.58   0.000% *  0.2517% (0.76   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   MET   96  18.36 +/- 0.49   0.000% *  0.0968% (0.29   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   MET   96  18.82 +/- 0.59   0.000% *  0.0968% (0.29   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   MET   96  14.16 +/- 0.31   0.000% *  0.0149% (0.05   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   PRO   52  21.23 +/- 0.44   0.000% *  0.1354% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   MET   96  19.59 +/- 1.64   0.000% *  0.0434% (0.13   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   PRO   52  25.29 +/- 0.93   0.000% *  0.1477% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   52  24.50 +/- 0.33   0.000% *  0.0821% (0.25   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   MET   96  21.69 +/- 0.60   0.000% *  0.0363% (0.11   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   52  23.02 +/- 0.49   0.000% *  0.0508% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.60 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 = 5.91, residual support = 191.0:
    * O T HG2   PRO   52 - HB2   PRO   52   2.60 +/- 0.24  91.975% * 98.2175% (1.00   5.91 191.00) =  99.981%  kept
          HG2   MET   92 - HB2   PRO   52   4.41 +/- 1.06   7.952% *  0.2149% (0.65   0.02   0.02) =   0.019%
          QG    GLU- 114 - HB2   PRO   52   9.65 +/- 0.76   0.045% *  0.2412% (0.73   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG2   MET   96  12.43 +/- 0.66   0.009% *  0.0709% (0.21   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB2   PRO   52  16.06 +/- 0.69   0.002% *  0.2660% (0.80   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PRO   52  12.29 +/- 0.34   0.009% *  0.0512% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   MET   96  15.71 +/- 0.82   0.002% *  0.0781% (0.24   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   MET   96  15.82 +/- 0.64   0.002% *  0.0631% (0.19   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   MET   96  17.34 +/- 0.85   0.001% *  0.0976% (0.29   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   MET   96  20.27 +/- 0.44   0.000% *  0.0923% (0.28   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HG2   MET   96  19.22 +/- 0.65   0.001% *  0.0631% (0.19   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB2   PRO   52  28.24 +/- 0.42   0.000% *  0.3142% (0.95   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   MET   96  20.24 +/- 0.25   0.000% *  0.0151% (0.05   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB2   PRO   52  32.94 +/- 0.57   0.000% *  0.2149% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 509 (2.08, 2.63, 32.81 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 191.0:
    * O T HG3   PRO   52 - HB2   PRO   52   2.50 +/- 0.24  95.932% * 98.1979% (1.00   5.97 191.00) =  99.996%  kept
          HB2   PRO   93 - HB2   PRO   52   4.40 +/- 0.34   4.029% *  0.1015% (0.31   0.02   3.57) =   0.004%
        T HG2   PRO   58 - HB2   PRO   52  10.21 +/- 0.44   0.025% *  0.3289% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   MET   96  13.19 +/- 0.44   0.005% *  0.0298% (0.09   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HG2   MET   96  17.03 +/- 0.70   0.001% *  0.0966% (0.29   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   MET   96  18.90 +/- 0.27   0.001% *  0.0966% (0.29   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   MET   96  14.53 +/- 0.57   0.003% *  0.0191% (0.06   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   MET   96  14.98 +/- 1.09   0.003% *  0.0149% (0.05   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   52  26.36 +/- 2.03   0.000% *  0.3260% (0.99   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   MET   96  21.57 +/- 2.30   0.000% *  0.0958% (0.29   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   MET   96  19.98 +/- 0.85   0.000% *  0.0363% (0.11   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   52  25.54 +/- 1.01   0.000% *  0.1235% (0.38   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   52  22.69 +/- 1.00   0.000% *  0.0508% (0.15   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   52  25.89 +/- 0.43   0.000% *  0.0651% (0.20   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   52  34.37 +/- 2.66   0.000% *  0.3224% (0.98   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   MET   96  28.59 +/- 3.86   0.000% *  0.0947% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 6.45, residual support = 191.0:
    * O T HD2   PRO   52 - HB2   PRO   52   3.85 +/- 0.00  99.060% * 97.8108% (1.00   6.45 191.00) =  99.999%  kept
          HA    ALA   88 - HG2   MET   96   9.63 +/- 0.57   0.437% *  0.0822% (0.27   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   PRO   52  11.41 +/- 0.13   0.147% *  0.2201% (0.73   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   MET   96  11.65 +/- 0.27   0.131% *  0.0433% (0.14   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PRO   52  16.35 +/- 0.32   0.017% *  0.2798% (0.92   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   MET   96  14.67 +/- 0.62   0.034% *  0.0842% (0.28   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   PRO   52  16.47 +/- 0.67   0.017% *  0.1475% (0.49   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   PRO   52  17.49 +/- 0.54   0.012% *  0.0843% (0.28   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   MET   96  14.30 +/- 0.41   0.038% *  0.0248% (0.08   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG2   MET   96  18.13 +/- 0.38   0.009% *  0.0890% (0.29   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PRO   52  20.27 +/- 0.50   0.005% *  0.1716% (0.57   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   MET   96  15.76 +/- 0.33   0.021% *  0.0304% (0.10   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   MET   96  19.23 +/- 0.29   0.006% *  0.0647% (0.21   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   MET   96  16.58 +/- 0.45   0.016% *  0.0222% (0.07   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   MET   96  19.12 +/- 0.48   0.007% *  0.0504% (0.17   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PRO   52  19.81 +/- 0.66   0.005% *  0.0600% (0.20   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PRO   52  21.67 +/- 0.57   0.003% *  0.1034% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PRO   52  24.10 +/- 0.58   0.002% *  0.1475% (0.49   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   MET   96  19.94 +/- 1.13   0.005% *  0.0433% (0.14   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   MET   96  16.74 +/- 0.67   0.015% *  0.0137% (0.05   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PRO   52  28.50 +/- 0.28   0.001% *  0.2867% (0.95   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   MET   96  18.16 +/- 0.26   0.009% *  0.0176% (0.06   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PRO   52  27.47 +/- 0.38   0.001% *  0.0756% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PRO   52  29.25 +/- 0.29   0.001% *  0.0468% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 511 (4.51, 1.84, 32.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 5.91, residual support = 191.0:
    * O T HA    PRO   52 - HB3   PRO   52   2.30 +/- 0.00  99.867% * 99.3326% (1.00   5.91 191.00) = 100.000%  kept
          HA    LYS+ 111 - HB3   PRO   52   8.00 +/- 0.64   0.063% *  0.2173% (0.65   0.02   0.02) =   0.000%
          HA    ALA   91 - HB3   PRO   52   9.21 +/- 0.65   0.028% *  0.1037% (0.31   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    LYS+  81   9.13 +/- 1.16   0.034% *  0.0119% (0.04   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   PRO   52  13.00 +/- 0.53   0.003% *  0.0665% (0.20   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    LYS+  81  12.96 +/- 0.35   0.003% *  0.0203% (0.06   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   PRO   52  22.36 +/- 0.34   0.000% *  0.1767% (0.53   0.02   0.02) =   0.000%
        T HA    PRO   52 - QB    LYS+  81  17.46 +/- 0.65   0.001% *  0.0385% (0.11   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QB    LYS+  81  20.37 +/- 0.73   0.000% *  0.0249% (0.07   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    LYS+  81  18.13 +/- 0.51   0.000% *  0.0076% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 512 (2.63, 1.84, 32.81 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.91, residual support = 191.0:
    * O T HB2   PRO   52 - HB3   PRO   52   1.75 +/- 0.00  99.999% * 99.6079% (1.00   5.91 191.00) = 100.000%  kept
          HB2   ASP-  62 - HB3   PRO   52  16.19 +/- 0.61   0.000% *  0.1907% (0.57   0.02   0.02) =   0.000%
        T HG2   MET   96 - HB3   PRO   52  18.36 +/- 0.49   0.000% *  0.1264% (0.38   0.02   0.02) =   0.000%
        T HB2   PRO   52 - QB    LYS+  81  15.77 +/- 0.68   0.000% *  0.0386% (0.11   0.02   0.02) =   0.000%
        T HG2   MET   96 - QB    LYS+  81  14.16 +/- 0.31   0.000% *  0.0145% (0.04   0.02   0.02) =   0.000%
          HB2   ASP-  62 - QB    LYS+  81  23.80 +/- 0.50   0.000% *  0.0219% (0.06   0.02   0.02) =   0.000%
    Distance limit 2.78 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 = 6.0, residual support = 191.0:
    * O T HG2   PRO   52 - HB3   PRO   52   2.57 +/- 0.32  90.148% * 98.5268% (1.00   6.00 191.00) =  99.977%  kept
          HG2   MET   92 - HB3   PRO   52   4.49 +/- 1.08   9.534% *  0.2125% (0.65   0.02   0.02) =   0.023%
          HB2   GLU-  79 - QB    LYS+  81   6.89 +/- 0.23   0.270% *  0.0302% (0.09   0.02   1.49) =   0.000%
          QG    GLU- 114 - HB3   PRO   52  10.41 +/- 0.76   0.025% *  0.2385% (0.73   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HB3   PRO   52  16.99 +/- 0.71   0.001% *  0.2630% (0.80   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   PRO   52  13.35 +/- 0.34   0.005% *  0.0507% (0.15   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    LYS+  81  13.28 +/- 1.71   0.007% *  0.0244% (0.07   0.02   0.02) =   0.000%
        T HG2   PRO   52 - QB    LYS+  81  14.24 +/- 0.64   0.004% *  0.0377% (0.11   0.02   0.02) =   0.000%
          HG3   GLU-  25 - QB    LYS+  81  14.39 +/- 0.52   0.004% *  0.0356% (0.11   0.02   0.02) =   0.000%
          QG    GLU- 114 - QB    LYS+  81  18.18 +/- 0.67   0.001% *  0.0274% (0.08   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   52  29.46 +/- 0.45   0.000% *  0.3107% (0.95   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HB3   PRO   52  34.62 +/- 0.55   0.000% *  0.2125% (0.65   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    LYS+  81  24.79 +/- 0.66   0.000% *  0.0244% (0.07   0.02   0.02) =   0.000%
        T HB2   PRO   58 - QB    LYS+  81  23.61 +/- 0.40   0.000% *  0.0058% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 5.97, residual support = 191.0:
    * O T HG3   PRO   52 - HB3   PRO   52   2.70 +/- 0.32  98.856% * 98.4883% (1.00   5.97 191.00) =  99.999%  kept
        T HB2   PRO   93 - HB3   PRO   52   6.05 +/- 0.30   0.990% *  0.1018% (0.31   0.02   3.57) =   0.001%
        T HG2   PRO   58 - HB3   PRO   52  11.25 +/- 0.46   0.023% *  0.3299% (1.00   0.02   0.02) =   0.000%
          HB    VAL   24 - QB    LYS+  81   8.73 +/- 0.68   0.113% *  0.0058% (0.02   0.02   0.02) =   0.000%
        T HG3   PRO   52 - QB    LYS+  81  14.15 +/- 0.79   0.007% *  0.0378% (0.11   0.02   0.02) =   0.000%
          HB2   PRO   93 - QB    LYS+  81  13.75 +/- 0.65   0.007% *  0.0117% (0.04   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   52  27.92 +/- 2.04   0.000% *  0.3270% (0.99   0.02   0.02) =   0.000%
          QB    GLN   32 - QB    LYS+  81  17.01 +/- 0.60   0.002% *  0.0075% (0.02   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   52  27.17 +/- 1.02   0.000% *  0.1238% (0.38   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   52  23.85 +/- 0.98   0.000% *  0.0509% (0.15   0.02   0.02) =   0.000%
        T HG2   PRO   58 - QB    LYS+  81  22.59 +/- 0.44   0.000% *  0.0378% (0.11   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QB    LYS+  81  23.96 +/- 2.01   0.000% *  0.0375% (0.11   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   52  35.88 +/- 2.73   0.000% *  0.3234% (0.98   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   52  27.29 +/- 0.43   0.000% *  0.0653% (0.20   0.02   0.02) =   0.000%
          HG2   MET   11 - QB    LYS+  81  29.48 +/- 3.77   0.000% *  0.0371% (0.11   0.02   0.02) =   0.000%
          HB2   PRO   68 - QB    LYS+  81  28.13 +/- 0.68   0.000% *  0.0142% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 0.926, support = 0.02, residual support = 176.4:
    * O T HD2   PRO   52 - HB3   PRO   52   4.04 +/- 0.00  36.959% * 14.1151% (1.00   0.02 191.00) =  92.189%  kept
          QB    SER   85 - QB    LYS+  81   4.09 +/- 0.24  35.259% *  0.7881% (0.06   0.02   0.02) =   4.911%  kept
          HB2   SER   82 - QB    LYS+  81   4.27 +/- 0.15  27.289% *  0.5523% (0.04   0.02  11.88) =   2.663%  kept
          HA    SER   48 - HB3   PRO   52  11.85 +/- 0.14   0.058% * 10.2496% (0.73   0.02   0.02) =   0.105%
          HA    ALA   88 - QB    LYS+  81   9.12 +/- 0.36   0.286% *  1.4947% (0.11   0.02   0.02) =   0.075%
          HA    SER   48 - QB    LYS+  81  11.10 +/- 0.58   0.091% *  1.1757% (0.08   0.02   0.02) =   0.019%
          HA    ALA   88 - HB3   PRO   52  17.17 +/- 0.32   0.006% * 13.0298% (0.92   0.02   0.02) =   0.014%
          QB    SER   85 - HB3   PRO   52  17.10 +/- 0.69   0.007% *  6.8705% (0.49   0.02   0.02) =   0.008%
        T HD2   PRO   52 - QB    LYS+  81  14.34 +/- 0.60   0.019% *  1.6192% (0.11   0.02   0.02) =   0.006%
          HA    VAL   18 - HB3   PRO   52  19.13 +/- 0.54   0.003% *  3.9245% (0.28   0.02   0.02) =   0.002%
          HA    LYS+  65 - HB3   PRO   52  21.81 +/- 0.46   0.001% *  7.9913% (0.57   0.02   0.02) =   0.002%
          HB2   SER   82 - HB3   PRO   52  22.49 +/- 0.61   0.001% *  4.8148% (0.34   0.02   0.02) =   0.001%
          HA    ALA  120 - HB3   PRO   52  21.08 +/- 0.71   0.002% *  2.7934% (0.20   0.02   0.02) =   0.001%
        T HA    GLN   32 - QB    LYS+  81  19.18 +/- 0.57   0.003% *  1.5317% (0.11   0.02   0.02) =   0.001%
          HA2   GLY   16 - HB3   PRO   52  25.71 +/- 0.58   0.001% *  6.8705% (0.49   0.02   0.02) =   0.001%
        T HA    GLN   32 - HB3   PRO   52  30.10 +/- 0.30   0.000% * 13.3523% (0.95   0.02   0.02) =   0.001%
        T HA    GLU-  29 - QB    LYS+  81  17.13 +/- 0.49   0.006% *  0.4037% (0.03   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    LYS+  81  18.82 +/- 0.41   0.004% *  0.4502% (0.03   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB3   PRO   52  28.98 +/- 0.39   0.000% *  3.5196% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    LYS+  81  25.21 +/- 0.34   0.001% *  0.9167% (0.06   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    LYS+  81  25.51 +/- 0.48   0.001% *  0.7881% (0.06   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB3   PRO   52  30.92 +/- 0.28   0.000% *  2.1779% (0.15   0.02   0.02) =   0.000%
        T HA    LYS+  33 - QB    LYS+  81  21.81 +/- 0.51   0.002% *  0.2498% (0.02   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  81  27.86 +/- 0.47   0.000% *  0.3204% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.14 A, kept.
 
    Peak 517 (4.51, 2.32, 28.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.91, residual support = 191.0:
    * O T HA    PRO   52 - HG2   PRO   52   3.92 +/- 0.04  97.503% * 99.4352% (1.00   5.91 191.00) =  99.997%  kept
          HA    ALA   91 - HG2   PRO   52   7.53 +/- 0.27   1.973% *  0.1038% (0.31   0.02   0.02) =   0.002%
          HA    LYS+ 111 - HG2   PRO   52   9.75 +/- 0.70   0.450% *  0.2175% (0.65   0.02   0.02) =   0.001%
          HA    VAL  107 - HG2   PRO   52  13.32 +/- 0.83   0.069% *  0.0665% (0.20   0.02   0.02) =   0.000%
          HA    TRP   27 - HG2   PRO   52  20.56 +/- 0.67   0.005% *  0.1769% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 518 (2.63, 2.32, 28.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.91, residual support = 191.0:
    * O T HB2   PRO   52 - HG2   PRO   52   2.60 +/- 0.24  99.997% * 99.6826% (1.00   5.91 191.00) = 100.000%  kept
          HB2   ASP-  62 - HG2   PRO   52  16.81 +/- 0.92   0.001% *  0.1909% (0.57   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG2   PRO   52  17.34 +/- 0.85   0.001% *  0.1265% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 6.0, residual support = 191.0:
    * O T HB3   PRO   52 - HG2   PRO   52   2.57 +/- 0.32  91.353% * 98.0816% (1.00   6.00 191.00) =  99.990%  kept
          HG2   PRO   93 - HG2   PRO   52   4.58 +/- 0.76   8.480% *  0.1009% (0.31   0.02   3.57) =   0.010%
          HG2   ARG+  54 - HG2   PRO   52   8.03 +/- 0.49   0.148% *  0.1227% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   52  11.80 +/- 0.53   0.012% *  0.0647% (0.20   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   52  14.24 +/- 0.64   0.004% *  0.0504% (0.15   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   52  19.35 +/- 0.90   0.001% *  0.1851% (0.57   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   52  21.05 +/- 0.83   0.000% *  0.2932% (0.90   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   52  22.51 +/- 1.08   0.000% *  0.3269% (1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   52  18.83 +/- 0.90   0.001% *  0.1115% (0.34   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   52  21.87 +/- 0.99   0.000% *  0.2499% (0.76   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   52  22.00 +/- 0.81   0.000% *  0.1344% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   52  26.95 +/- 1.42   0.000% *  0.1466% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   52  24.75 +/- 0.73   0.000% *  0.0815% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   52  23.83 +/- 0.78   0.000% *  0.0504% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 520 (2.32, 2.32, 28.73 ppm):
    1 diagonal assignment:
    *     HG2   PRO   52 - HG2   PRO   52  (1.00)  kept
 
    Peak 521 (2.08, 2.32, 28.73 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 191.0:
    * O T HG3   PRO   52 - HG2   PRO   52   1.75 +/- 0.00  99.659% * 98.6752% (1.00   5.97 191.00) = 100.000%  kept
          HB2   PRO   93 - HG2   PRO   52   5.09 +/- 0.92   0.340% *  0.1020% (0.31   0.02   3.57) =   0.000%
        T HG2   PRO   58 - HG2   PRO   52  12.43 +/- 0.64   0.001% *  0.3306% (1.00   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   52  26.85 +/- 2.03   0.000% *  0.3276% (0.99   0.02   0.02) =   0.000%
          HB    VAL   24 - HG2   PRO   52  21.66 +/- 1.00   0.000% *  0.0510% (0.15   0.02   0.02) =   0.000%
          HB2   PRO   68 - HG2   PRO   52  27.08 +/- 1.16   0.000% *  0.1241% (0.38   0.02   0.02) =   0.000%
          QB    GLN   32 - HG2   PRO   52  25.83 +/- 0.64   0.000% *  0.0654% (0.20   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   52  34.76 +/- 2.87   0.000% *  0.3240% (0.98   0.02   0.02) =   0.000%
    Distance limit 2.49 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 = 6.58, residual support = 191.0:
    * O T HD2   PRO   52 - HG2   PRO   52   2.64 +/- 0.28  99.950% * 98.3981% (1.00   6.58 191.00) = 100.000%  kept
          HA    SER   48 - HG2   PRO   52   9.76 +/- 0.35   0.042% *  0.2172% (0.73   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   52  15.72 +/- 0.61   0.002% *  0.2761% (0.92   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   52  15.32 +/- 0.70   0.003% *  0.1456% (0.49   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   52  18.24 +/- 0.79   0.001% *  0.0832% (0.28   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   52  20.23 +/- 0.56   0.001% *  0.1020% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   52  21.77 +/- 1.05   0.000% *  0.1693% (0.57   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   52  25.22 +/- 0.88   0.000% *  0.1456% (0.49   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   PRO   52  28.57 +/- 0.74   0.000% *  0.2829% (0.95   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   52  22.07 +/- 0.88   0.000% *  0.0592% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   PRO   52  27.18 +/- 0.68   0.000% *  0.0746% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   PRO   52  29.56 +/- 0.78   0.000% *  0.0461% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 523 (4.51, 2.08, 28.73 ppm):
    10 chemical-shift based assignments, quality = 0.984, support = 0.0197, residual support = 188.0:
    * O T HA    PRO   52 - HG3   PRO   52   3.94 +/- 0.04  96.385% * 20.6233% (1.00   0.02 191.00) =  98.423%  kept
          HA    ALA   91 - HG3   PRO   52   7.45 +/- 0.29   2.189% *  6.3653% (0.31   0.02   0.02) =   0.690%
        T HA    PRO   52 - HG2   PRO   58   9.87 +/- 0.42   0.399% * 16.6961% (0.81   0.02   0.02) =   0.330%
          HA    LYS+ 111 - HG3   PRO   52   9.69 +/- 0.59   0.465% * 13.3413% (0.65   0.02   0.02) =   0.307%
          HA    LYS+ 111 - HG2   PRO   58   9.86 +/- 0.47   0.407% * 10.8008% (0.52   0.02   0.02) =   0.218%
          HA    VAL  107 - HG3   PRO   52  13.11 +/- 0.43   0.073% *  4.0813% (0.20   0.02   0.02) =   0.015%
          HA    VAL  107 - HG2   PRO   58  13.37 +/- 0.42   0.064% *  3.3041% (0.16   0.02   0.02) =   0.010%
          HA    TRP   27 - HG3   PRO   52  20.25 +/- 0.99   0.006% * 10.8504% (0.53   0.02   0.02) =   0.003%
          HA    ALA   91 - HG2   PRO   58  18.06 +/- 0.65   0.011% *  5.1532% (0.25   0.02   0.02) =   0.003%
          HA    TRP   27 - HG2   PRO   58  22.41 +/- 0.24   0.003% *  8.7842% (0.43   0.02   0.02) =   0.001%
    Distance limit 3.67 A violated in 0 structures by 0.26 A, kept.
 
    Peak 524 (2.63, 2.08, 28.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.97, residual support = 191.0:
    * O T HB2   PRO   52 - HG3   PRO   52   2.50 +/- 0.24  99.435% * 99.1652% (1.00   5.97 191.00) =  99.999%  kept
          HB2   ASP-  62 - HG2   PRO   58   6.22 +/- 0.36   0.535% *  0.1523% (0.46   0.02   0.02) =   0.001%
        T HB2   PRO   52 - HG2   PRO   58  10.21 +/- 0.44   0.026% *  0.2689% (0.81   0.02   0.02) =   0.000%
          HB2   ASP-  62 - HG3   PRO   52  16.53 +/- 0.78   0.001% *  0.1881% (0.57   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG3   PRO   52  17.03 +/- 0.70   0.001% *  0.1247% (0.38   0.02   0.02) =   0.000%
        T HG2   MET   96 - HG2   PRO   58  18.90 +/- 0.27   0.001% *  0.1009% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 5.97, residual support = 191.0:
    * O T HB3   PRO   52 - HG3   PRO   52   2.70 +/- 0.32  89.632% * 96.3130% (1.00   5.97 191.00) =  99.988%  kept
        T HG2   PRO   93 - HG3   PRO   52   4.37 +/- 0.58   9.962% *  0.0996% (0.31   0.02   3.57) =   0.011%
          HG2   ARG+  54 - HG3   PRO   52   7.93 +/- 0.46   0.175% *  0.1211% (0.38   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58   9.14 +/- 1.01   0.094% *  0.0980% (0.30   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   PRO   58  11.25 +/- 0.46   0.019% *  0.2612% (0.81   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG2   PRO   58  10.44 +/- 0.37   0.031% *  0.1479% (0.46   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG2   PRO   58   9.90 +/- 0.44   0.043% *  0.0806% (0.25   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   PRO   58  12.54 +/- 0.67   0.010% *  0.2612% (0.81   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  11.81 +/- 0.45   0.016% *  0.0639% (0.20   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  14.15 +/- 0.79   0.006% *  0.0498% (0.15   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  15.45 +/- 0.27   0.003% *  0.0891% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   52  19.08 +/- 0.91   0.001% *  0.1827% (0.57   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   52  20.76 +/- 0.67   0.001% *  0.2894% (0.90   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   PRO   58  18.09 +/- 0.78   0.001% *  0.1171% (0.36   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  18.54 +/- 0.64   0.001% *  0.1101% (0.34   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   PRO   58  20.31 +/- 0.43   0.001% *  0.1996% (0.62   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   PRO   52  21.52 +/- 0.99   0.000% *  0.2466% (0.76   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   PRO   52  22.24 +/- 0.64   0.000% *  0.3226% (1.00   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   PRO   58  21.60 +/- 0.52   0.000% *  0.2343% (0.73   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   PRO   52  21.74 +/- 0.63   0.000% *  0.1326% (0.41   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   PRO   58  22.46 +/- 0.34   0.000% *  0.1074% (0.33   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.41 +/- 0.71   0.000% *  0.0517% (0.16   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG3   PRO   52  26.60 +/- 0.80   0.000% *  0.1447% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  23.22 +/- 0.40   0.000% *  0.0651% (0.20   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  24.45 +/- 0.86   0.000% *  0.0805% (0.25   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  22.59 +/- 0.44   0.000% *  0.0403% (0.12   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   PRO   52  23.58 +/- 0.71   0.000% *  0.0498% (0.15   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   PRO   58  22.78 +/- 0.43   0.000% *  0.0403% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.11 A, kept.
 
    Peak 526 (2.32, 2.08, 28.73 ppm):
    14 chemical-shift based assignments, quality = 0.996, support = 5.95, residual support = 190.3:
    * O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  92.750% * 90.1099% (1.00   5.97 191.00) =  99.631%  kept
      O T HB2   PRO   58 - HG2   PRO   58   2.96 +/- 0.00   4.025% *  7.5416% (0.12   4.00 135.55) =   0.362%
          HG2   MET   92 - HG3   PRO   52   3.68 +/- 0.89   3.219% *  0.1953% (0.65   0.02   0.02) =   0.007%
          QG    GLU- 114 - HG2   PRO   58  10.31 +/- 1.05   0.003% *  0.1775% (0.59   0.02   0.02) =   0.000%
          QG    GLU- 114 - HG3   PRO   52  11.24 +/- 0.78   0.001% *  0.2192% (0.73   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   PRO   58  12.43 +/- 0.64   0.001% *  0.2444% (0.81   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG3   PRO   52  14.48 +/- 0.99   0.000% *  0.2417% (0.80   0.02   0.02) =   0.000%
          HG2   MET   92 - HG2   PRO   58  14.04 +/- 1.14   0.000% *  0.1581% (0.52   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  14.05 +/- 0.56   0.000% *  0.0466% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HG2   PRO   58  21.48 +/- 0.60   0.000% *  0.1957% (0.65   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  27.05 +/- 0.98   0.000% *  0.2856% (0.95   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  31.16 +/- 0.32   0.000% *  0.2312% (0.77   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG2   PRO   58  31.31 +/- 1.24   0.000% *  0.1581% (0.52   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HG3   PRO   52  32.98 +/- 1.01   0.000% *  0.1953% (0.65   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 527 (2.08, 2.08, 28.73 ppm):
    2 diagonal assignments:
    *     HG3   PRO   52 - HG3   PRO   52  (1.00)  kept
          HG2   PRO   58 - HG2   PRO   58  (0.81)  kept
 
    Peak 528 (3.98, 2.08, 28.73 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 6.54, residual support = 191.0:
    * O T HD2   PRO   52 - HG3   PRO   52   2.53 +/- 0.28  99.928% * 96.8876% (1.00   6.54 191.00) = 100.000%  kept
          HA    SER   48 - HG3   PRO   52   9.62 +/- 0.43   0.035% *  0.2152% (0.73   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG2   PRO   58  12.13 +/- 0.22   0.010% *  0.2400% (0.81   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG2   PRO   58  12.89 +/- 0.28   0.007% *  0.1359% (0.46   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   PRO   52  15.56 +/- 0.28   0.002% *  0.2736% (0.92   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   PRO   52  15.20 +/- 0.68   0.002% *  0.1443% (0.49   0.02   0.02) =   0.000%
          HA    ALA  120 - HG2   PRO   58  12.87 +/- 0.70   0.007% *  0.0475% (0.16   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   PRO   58  14.33 +/- 0.30   0.003% *  0.0667% (0.23   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   PRO   58  17.57 +/- 0.26   0.001% *  0.1742% (0.59   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   PRO   58  18.15 +/- 0.54   0.001% *  0.1168% (0.39   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   PRO   52  17.90 +/- 1.19   0.001% *  0.0824% (0.28   0.02   0.02) =   0.000%
          HA    LYS+  65 - HG3   PRO   52  21.46 +/- 0.71   0.000% *  0.1678% (0.57   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   PRO   58  22.97 +/- 0.45   0.000% *  0.2215% (0.75   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   PRO   52  20.08 +/- 0.79   0.000% *  0.1011% (0.34   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   PRO   58  22.97 +/- 0.49   0.000% *  0.1168% (0.39   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   PRO   52  24.88 +/- 1.09   0.000% *  0.1443% (0.49   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   PRO   52  21.83 +/- 0.75   0.000% *  0.0587% (0.20   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   PRO   52  28.24 +/- 0.90   0.000% *  0.2804% (0.95   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG2   PRO   58  28.67 +/- 0.35   0.000% *  0.2270% (0.77   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG3   PRO   52  26.87 +/- 1.01   0.000% *  0.0739% (0.25   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   PRO   58  28.14 +/- 0.33   0.000% *  0.0819% (0.28   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HG2   PRO   58  28.29 +/- 0.30   0.000% *  0.0598% (0.20   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG2   PRO   58  27.88 +/- 0.39   0.000% *  0.0370% (0.12   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HG3   PRO   52  29.21 +/- 0.94   0.000% *  0.0457% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 529 (4.17, 4.17, 63.73 ppm):
    1 diagonal assignment:
    *     HA    CYS   53 - HA    CYS   53  (1.00)  kept
 
    Peak 530 (3.83, 4.17, 63.73 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 41.9:
    * O T HB2   CYS   53 - HA    CYS   53   2.99 +/- 0.02  97.085% * 97.9889% (1.00   2.96  41.93) =  99.988%  kept
          HD2   PRO   58 - HA    CYS   53   5.87 +/- 0.14   1.715% *  0.3487% (0.53   0.02   0.02) =   0.006%
          HD3   PRO   52 - HA    CYS   53   6.22 +/- 0.03   1.198% *  0.4552% (0.69   0.02  48.98) =   0.006%
          HA    VAL   83 - HA    CYS   53  19.71 +/- 0.50   0.001% *  0.2971% (0.45   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    CYS   53  22.29 +/- 0.42   0.001% *  0.5065% (0.76   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    CYS   53  21.67 +/- 0.44   0.001% *  0.1312% (0.20   0.02   0.02) =   0.000%
          HA    GLU- 100 - HA    CYS   53  26.13 +/- 0.48   0.000% *  0.2725% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 531 (3.34, 4.17, 63.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 41.9:
    * O T HB3   CYS   53 - HA    CYS   53   2.67 +/- 0.05  95.113% * 97.1521% (1.00   2.96  41.93) =  99.970%  kept
          QB    PHE   55 - HA    CYS   53   4.94 +/- 0.46   2.689% *  0.5700% (0.87   0.02   0.02) =   0.017%
          HD3   PRO   93 - HA    CYS   53   5.33 +/- 0.31   1.650% *  0.6216% (0.95   0.02   0.02) =   0.011%
          HB2   PHE   59 - HA    CYS   53   6.94 +/- 0.70   0.385% *  0.3985% (0.61   0.02   0.02) =   0.002%
          HD2   ARG+  54 - HA    CYS   53   7.82 +/- 0.41   0.162% *  0.6513% (0.99   0.02  30.50) =   0.001%
          HD3   PRO   68 - HA    CYS   53  19.64 +/- 0.68   0.001% *  0.6066% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 41.9:
    * O T HA    CYS   53 - HB2   CYS   53   2.99 +/- 0.02  99.988% * 98.3742% (1.00   2.96  41.93) = 100.000%  kept
          HA    ILE   19 - HB2   CYS   53  14.92 +/- 0.72   0.007% *  0.5967% (0.90   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   CYS   53  17.03 +/- 0.47   0.003% *  0.1317% (0.20   0.02   0.02) =   0.000%
          HA    THR   26 - HB2   CYS   53  21.27 +/- 0.69   0.001% *  0.3239% (0.49   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HB2   CYS   53  23.26 +/- 0.68   0.000% *  0.4570% (0.69   0.02   0.02) =   0.000%
        T HA    SER   82 - HB2   CYS   53  20.65 +/- 0.73   0.001% *  0.1165% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 533 (3.83, 3.83, 34.62 ppm):
    1 diagonal assignment:
    *     HB2   CYS   53 - HB2   CYS   53  (1.00)  kept
 
    Peak 534 (3.34, 3.83, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 41.9:
    * O T HB3   CYS   53 - HB2   CYS   53   1.75 +/- 0.00  99.905% * 97.1917% (1.00   3.00  41.93) =  99.999%  kept
          QB    PHE   55 - HB2   CYS   53   6.69 +/- 0.34   0.034% *  0.5620% (0.87   0.02   0.02) =   0.000%
          HD3   PRO   93 - HB2   CYS   53   6.90 +/- 0.47   0.030% *  0.6129% (0.95   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB2   CYS   53   7.06 +/- 0.39   0.025% *  0.6422% (0.99   0.02  30.50) =   0.000%
          HB2   PHE   59 - HB2   CYS   53   9.06 +/- 0.78   0.006% *  0.3930% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   CYS   53  20.52 +/- 0.68   0.000% *  0.5981% (0.92   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 535 (4.17, 3.34, 34.62 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.96, residual support = 41.9:
    * O T HA    CYS   53 - HB3   CYS   53   2.67 +/- 0.05  99.993% * 98.3742% (1.00   2.96  41.93) = 100.000%  kept
          HA    ILE   19 - HB3   CYS   53  15.02 +/- 0.74   0.003% *  0.5967% (0.90   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB3   CYS   53  16.47 +/- 0.52   0.002% *  0.1317% (0.20   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   CYS   53  20.87 +/- 0.59   0.000% *  0.3239% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  25 - HB3   CYS   53  22.63 +/- 0.53   0.000% *  0.4570% (0.69   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   CYS   53  19.47 +/- 0.74   0.001% *  0.1165% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 536 (3.83, 3.34, 34.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.0, residual support = 41.9:
    * O T HB2   CYS   53 - HB3   CYS   53   1.75 +/- 0.00  99.868% * 98.0170% (1.00   3.00  41.93) =  99.999%  kept
          HD3   PRO   52 - HB3   CYS   53   5.57 +/- 0.60   0.113% *  0.4489% (0.69   0.02  48.98) =   0.001%
          HD2   PRO   58 - HB3   CYS   53   7.52 +/- 0.58   0.019% *  0.3438% (0.53   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   CYS   53  18.79 +/- 0.70   0.000% *  0.2930% (0.45   0.02   0.02) =   0.000%
          HA    GLN   30 - HB3   CYS   53  21.56 +/- 0.62   0.000% *  0.4994% (0.76   0.02   0.02) =   0.000%
          HB3   SER   82 - HB3   CYS   53  20.38 +/- 0.65   0.000% *  0.1293% (0.20   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB3   CYS   53  26.68 +/- 0.76   0.000% *  0.2686% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 4.86, residual support = 162.2:
    * O T HB2   ARG+  54 - HA    ARG+  54   2.72 +/- 0.08  97.539% * 97.0022% (1.00   4.86 162.20) =  99.997%  kept
          HB    ILE  119 - HA    LEU  115   5.24 +/- 0.44   2.198% *  0.1065% (0.27   0.02  11.86) =   0.002%
          HB2   PRO   93 - HA    ARG+  54   8.24 +/- 0.53   0.140% *  0.3460% (0.87   0.02   0.02) =   0.001%
          HB    VAL  108 - HA    LEU  115   9.08 +/- 0.39   0.076% *  0.1216% (0.30   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LEU  115  10.36 +/- 0.34   0.033% *  0.1065% (0.27   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    ARG+  54  15.52 +/- 0.54   0.003% *  0.3460% (0.87   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ARG+  54  16.81 +/- 0.41   0.002% *  0.3953% (0.99   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HA    LEU  115  14.79 +/- 0.37   0.004% *  0.1227% (0.31   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ARG+  54  22.51 +/- 0.69   0.000% *  0.3460% (0.87   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ARG+  54  22.69 +/- 0.79   0.000% *  0.2258% (0.57   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LEU  115  20.90 +/- 0.37   0.000% *  0.1065% (0.27   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LEU  115  21.92 +/- 0.51   0.000% *  0.0983% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.38 +/- 1.23   0.001% *  0.0273% (0.07   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    ARG+  54  22.56 +/- 1.19   0.000% *  0.0888% (0.22   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  22.44 +/- 0.65   0.000% *  0.0695% (0.17   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    ARG+  54  23.07 +/- 2.11   0.000% *  0.0615% (0.15   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ARG+  54  31.34 +/- 0.60   0.000% *  0.3194% (0.80   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HA    LEU  115  24.63 +/- 1.55   0.000% *  0.0189% (0.05   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    ARG+  54  30.91 +/- 2.54   0.000% *  0.0698% (0.18   0.02   0.02) =   0.000%
        T HG2   MET   11 - HA    LEU  115  32.55 +/- 2.28   0.000% *  0.0215% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.69 A violated in 0 structures by 0.06 A, kept.
 
    Peak 540 (1.86, 4.11, 59.18 ppm):
    28 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 162.2:
    * O T HG2   ARG+  54 - HA    ARG+  54   2.76 +/- 0.54  97.755% * 95.7012% (1.00   5.00 162.20) =  99.997%  kept
          HB    ILE   56 - HA    ARG+  54   6.66 +/- 0.22   0.820% *  0.1575% (0.41   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    LEU  115   7.64 +/- 0.45   0.418% *  0.1176% (0.31   0.02   0.02) =   0.001%
        T HB3   PRO   52 - HA    ARG+  54   7.95 +/- 0.09   0.284% *  0.1438% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    LEU  115   8.34 +/- 0.23   0.213% *  0.0984% (0.26   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LEU  115   8.07 +/- 0.45   0.366% *  0.0485% (0.13   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LEU  115   9.99 +/- 0.66   0.080% *  0.0442% (0.12   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LEU  115  15.37 +/- 1.28   0.011% *  0.1179% (0.31   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  115  14.69 +/- 0.58   0.008% *  0.1176% (0.31   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ARG+  54  17.72 +/- 0.41   0.002% *  0.3199% (0.84   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LEU  115  12.90 +/- 0.63   0.016% *  0.0442% (0.12   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ARG+  54  18.94 +/- 0.53   0.002% *  0.3536% (0.92   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LEU  115  17.51 +/- 1.90   0.004% *  0.1168% (0.30   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ARG+  54  19.90 +/- 0.40   0.001% *  0.3822% (1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    ARG+  54  19.39 +/- 0.55   0.001% *  0.3323% (0.87   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  115  18.21 +/- 1.00   0.002% *  0.1088% (0.28   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    ARG+  54  22.99 +/- 0.53   0.001% *  0.3797% (0.99   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ARG+  54  19.51 +/- 0.52   0.001% *  0.1438% (0.38   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  115  14.55 +/- 0.75   0.009% *  0.0206% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ARG+  54  24.06 +/- 0.56   0.000% *  0.3697% (0.97   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ARG+  54  25.26 +/- 0.46   0.000% *  0.3822% (1.00   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HA    LEU  115  20.91 +/- 0.53   0.001% *  0.1022% (0.27   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  115  21.64 +/- 0.40   0.001% *  0.1137% (0.30   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ARG+  54  22.40 +/- 0.66   0.001% *  0.0591% (0.15   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    ARG+  54  24.02 +/- 0.59   0.000% *  0.0671% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LEU  115  20.86 +/- 0.40   0.001% *  0.0182% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LEU  115  23.40 +/- 0.52   0.000% *  0.0328% (0.09   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ARG+  54  31.45 +/- 0.50   0.000% *  0.1065% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 5 structures by 0.14 A, kept.
 
    Peak 541 (3.34, 4.11, 59.18 ppm):
    12 chemical-shift based assignments, quality = 0.979, support = 4.37, residual support = 133.0:
    *   T HD2   ARG+  54 - HA    ARG+  54   3.72 +/- 0.76  68.320% * 39.0650% (1.00   4.49 162.20) =  79.923%  kept
          QB    PHE   55 - HA    ARG+  54   5.12 +/- 0.07  12.333% * 27.1917% (0.80   3.91   2.99) =  10.042%  kept
          HB3   CYS   53 - HA    ARG+  54   5.26 +/- 0.40  10.122% * 33.0733% (0.99   3.84  30.50) =  10.025%  kept
          HB2   PHE   59 - HA    LEU  115   5.81 +/- 0.56   7.943% *  0.0281% (0.16   0.02  19.98) =   0.007%
          HD3   PRO   93 - HA    ARG+  54   9.42 +/- 0.23   0.327% *  0.1559% (0.90   0.02   0.02) =   0.002%
          HB2   PHE   59 - HA    ARG+  54   9.14 +/- 0.54   0.400% *  0.0915% (0.53   0.02   0.02) =   0.001%
          QB    PHE   55 - HA    LEU  115   9.21 +/- 0.47   0.402% *  0.0428% (0.25   0.02   0.02) =   0.001%
          HD3   PRO   93 - HA    LEU  115  12.08 +/- 0.33   0.074% *  0.0480% (0.28   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    LEU  115  13.11 +/- 0.43   0.045% *  0.0530% (0.30   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    LEU  115  15.32 +/- 1.22   0.021% *  0.0464% (0.27   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HA    LEU  115  16.44 +/- 0.71   0.011% *  0.0535% (0.31   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    ARG+  54  20.68 +/- 0.62   0.003% *  0.1508% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.65 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 = 4.86, residual support = 162.2:
    * O T HA    ARG+  54 - HB2   ARG+  54   2.72 +/- 0.08  99.961% * 97.7485% (1.00   4.86 162.20) = 100.000%  kept
        T HA    LEU  115 - HB2   ARG+  54  14.79 +/- 0.37   0.004% *  0.2438% (0.61   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   GLU-  14  13.30 +/- 2.20   0.017% *  0.0265% (0.07   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   GLU-  14  16.50 +/- 2.39   0.003% *  0.0382% (0.10   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   ARG+  54  21.26 +/- 0.84   0.000% *  0.2600% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   ARG+  54  17.43 +/- 0.33   0.002% *  0.0704% (0.18   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   MET   11  18.09 +/- 4.43   0.005% *  0.0174% (0.04   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   GLU-  14  17.96 +/- 2.27   0.002% *  0.0311% (0.08   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   MET   11  20.33 +/- 5.24   0.002% *  0.0204% (0.05   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   MET   11  21.38 +/- 4.96   0.002% *  0.0251% (0.06   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   ARG+  54  27.44 +/- 0.64   0.000% *  0.3939% (0.98   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   ARG+  54  27.68 +/- 0.80   0.000% *  0.2600% (0.65   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB2   GLU-  14  23.07 +/- 2.11   0.000% *  0.0591% (0.15   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   ARG+  54  28.84 +/- 0.57   0.000% *  0.1802% (0.45   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   GLU-  14  25.46 +/- 1.48   0.000% *  0.0579% (0.14   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   GLU-  14  24.90 +/- 2.29   0.000% *  0.0382% (0.10   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB2   GLU-  14  24.63 +/- 1.55   0.000% *  0.0358% (0.09   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   GLU-  14  23.04 +/- 2.19   0.000% *  0.0164% (0.04   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   ARG+  54  30.79 +/- 1.42   0.000% *  0.1117% (0.28   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ARG+  54  35.07 +/- 0.57   0.000% *  0.2114% (0.53   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG2   MET   11  30.91 +/- 2.54   0.000% *  0.0389% (0.10   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   MET   11  31.36 +/- 2.49   0.000% *  0.0381% (0.09   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   MET   11  28.15 +/- 4.88   0.000% *  0.0108% (0.03   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG2   MET   11  31.40 +/- 4.11   0.000% *  0.0251% (0.06   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   MET   11  32.55 +/- 2.28   0.000% *  0.0236% (0.06   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   GLU-  14  29.28 +/- 1.57   0.000% *  0.0104% (0.03   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   MET   11  37.10 +/- 2.35   0.000% *  0.0068% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 543 (2.05, 2.05, 30.44 ppm):
    3 diagonal assignments:
    *     HB2   ARG+  54 - HB2   ARG+  54  (1.00)  kept
          HB2   GLU-  14 - HB2   GLU-  14  (0.02)  kept
          HG2   MET   11 - HG2   MET   11  (0.02)  kept
 
    Peak 545 (3.34, 2.05, 30.44 ppm):
    18 chemical-shift based assignments, quality = 0.995, support = 4.87, residual support = 157.9:
    * O T HD2   ARG+  54 - HB2   ARG+  54   2.38 +/- 0.31  95.479% * 60.3689% (1.00   4.90 162.20) =  97.282%  kept
          QB    PHE   55 - HB2   ARG+  54   4.32 +/- 0.44   4.179% * 38.5166% (0.80   3.90   2.99) =   2.717%  kept
          HB3   CYS   53 - HB2   ARG+  54   6.79 +/- 0.62   0.293% *  0.2444% (0.99   0.02  30.50) =   0.001%
        T HD3   PRO   93 - HB2   ARG+  54   9.71 +/- 0.59   0.031% *  0.2211% (0.90   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   ARG+  54  10.65 +/- 0.58   0.015% *  0.1297% (0.53   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   GLU-  14  15.00 +/- 1.21   0.002% *  0.0314% (0.13   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   ARG+  54  22.73 +/- 0.62   0.000% *  0.2139% (0.87   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB2   GLU-  14  21.92 +/- 2.17   0.000% *  0.0359% (0.15   0.02   0.02) =   0.000%
          HB2   PHE   59 - HB2   GLU-  14  20.92 +/- 1.84   0.000% *  0.0191% (0.08   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   MET   11  21.53 +/- 2.10   0.000% *  0.0207% (0.08   0.02   0.02) =   0.000%
          QB    PHE   55 - HB2   GLU-  14  23.68 +/- 1.62   0.000% *  0.0290% (0.12   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HB2   GLU-  14  26.04 +/- 2.66   0.000% *  0.0363% (0.15   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HB2   GLU-  14  26.00 +/- 2.13   0.000% *  0.0325% (0.13   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   11  29.84 +/- 2.91   0.000% *  0.0236% (0.10   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   11  30.82 +/- 2.12   0.000% *  0.0191% (0.08   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   11  29.09 +/- 2.13   0.000% *  0.0125% (0.05   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG2   MET   11  33.95 +/- 2.98   0.000% *  0.0214% (0.09   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG2   MET   11  33.67 +/- 2.72   0.000% *  0.0238% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 4.49, residual support = 162.2:
    *   T HA    ARG+  54 - HD2   ARG+  54   3.72 +/- 0.76  99.962% * 98.1189% (1.00   4.49 162.20) = 100.000%  kept
        T HA    LEU  115 - HD2   ARG+  54  16.44 +/- 0.71   0.022% *  0.2648% (0.61   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   ARG+  54  22.40 +/- 0.76   0.004% *  0.2825% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD2   ARG+  54  19.09 +/- 0.71   0.009% *  0.0765% (0.18   0.02   0.02) =   0.000%
          HA    ALA  124 - HD2   ARG+  54  28.63 +/- 1.04   0.001% *  0.4280% (0.98   0.02   0.02) =   0.000%
          HA    ASN   28 - HD2   ARG+  54  28.80 +/- 0.92   0.001% *  0.2825% (0.65   0.02   0.02) =   0.000%
          HA    ALA   34 - HD2   ARG+  54  29.97 +/- 0.81   0.001% *  0.1958% (0.45   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD2   ARG+  54  32.30 +/- 1.60   0.000% *  0.1214% (0.28   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   ARG+  54  36.24 +/- 0.83   0.000% *  0.2297% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 551 (2.05, 3.34, 43.59 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.9, residual support = 162.2:
    * O T HB2   ARG+  54 - HD2   ARG+  54   2.38 +/- 0.31  99.985% * 97.7984% (1.00   4.90 162.20) = 100.000%  kept
        T HB2   PRO   93 - HD2   ARG+  54  10.99 +/- 0.72   0.013% *  0.3465% (0.87   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   ARG+  54  17.94 +/- 1.02   0.001% *  0.3465% (0.87   0.02   0.02) =   0.000%
          HB    VAL  108 - HD2   ARG+  54  18.90 +/- 0.77   0.001% *  0.3959% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   ARG+  54  25.89 +/- 0.94   0.000% *  0.3465% (0.87   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   ARG+  54  25.97 +/- 1.03   0.000% *  0.2261% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   ARG+  54  25.48 +/- 1.64   0.000% *  0.0889% (0.22   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD2   ARG+  54  26.04 +/- 2.66   0.000% *  0.0616% (0.15   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   ARG+  54  34.74 +/- 0.84   0.000% *  0.3198% (0.80   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD2   ARG+  54  33.67 +/- 2.72   0.000% *  0.0699% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 4.97, residual support = 162.2:
    * O T HG2   ARG+  54 - HD2   ARG+  54   2.87 +/- 0.14  99.716% * 96.7475% (1.00   4.97 162.20) = 100.000%  kept
        T HB3   PRO   52 - HD2   ARG+  54   8.74 +/- 0.96   0.184% *  0.1462% (0.38   0.02   0.02) =   0.000%
          HB    ILE   56 - HD2   ARG+  54   9.21 +/- 0.53   0.097% *  0.1602% (0.41   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD2   ARG+  54  20.17 +/- 0.62   0.001% *  0.3255% (0.84   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD2   ARG+  54  20.91 +/- 0.87   0.001% *  0.3597% (0.92   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HD2   ARG+  54  21.25 +/- 0.76   0.001% *  0.3380% (0.87   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD2   ARG+  54  22.89 +/- 0.67   0.000% *  0.3888% (1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   ARG+  54  21.88 +/- 1.11   0.001% *  0.1462% (0.38   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD2   ARG+  54  25.92 +/- 1.11   0.000% *  0.3862% (0.99   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD2   ARG+  54  27.09 +/- 0.80   0.000% *  0.3761% (0.97   0.02   0.02) =   0.000%
          HB    ILE  103 - HD2   ARG+  54  28.32 +/- 0.64   0.000% *  0.3888% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD2   ARG+  54  25.77 +/- 0.87   0.000% *  0.0601% (0.15   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   ARG+  54  27.20 +/- 0.68   0.000% *  0.0682% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD2   ARG+  54  34.90 +/- 0.77   0.000% *  0.1083% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 3.3, residual support = 19.3:
    * O T QB    PHE   55 - HA    PHE   55   2.53 +/- 0.10  98.914% * 96.5802% (1.00   3.30  19.33) =  99.995%  kept
          HD2   ARG+  54 - HA    PHE   55   5.86 +/- 0.53   0.754% *  0.4690% (0.80   0.02   2.99) =   0.004%
          HB2   PHE   59 - HA    PHE   55   7.38 +/- 0.37   0.170% *  0.5252% (0.90   0.02   0.02) =   0.001%
          HB3   CYS   53 - HA    PHE   55   8.03 +/- 0.32   0.105% *  0.5080% (0.87   0.02   0.02) =   0.001%
          HD3   PRO   93 - HA    PHE   55   9.99 +/- 0.35   0.028% *  0.5741% (0.98   0.02   0.02) =   0.000%
          HB2   PHE   59 - HA    VAL   42  11.40 +/- 0.52   0.013% *  0.1236% (0.21   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    VAL   42  12.17 +/- 0.97   0.010% *  0.1366% (0.23   0.02   0.02) =   0.000%
          HD3   PRO   68 - HA    PHE   55  19.86 +/- 0.73   0.000% *  0.5805% (0.99   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    VAL   42  15.44 +/- 0.55   0.002% *  0.1196% (0.20   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    VAL   42  15.93 +/- 0.21   0.002% *  0.1351% (0.23   0.02   0.02) =   0.000%
        T QB    PHE   55 - HA    VAL   42  16.16 +/- 0.39   0.002% *  0.1378% (0.24   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    VAL   42  21.79 +/- 0.68   0.000% *  0.1104% (0.19   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 3.3, residual support = 19.3:
    * O T HA    PHE   55 - QB    PHE   55   2.53 +/- 0.10  95.994% * 98.5776% (1.00   3.30  19.33) =  99.978%  kept
          HA    ALA  110 - QB    PHE   55   4.76 +/- 0.95   4.002% *  0.5185% (0.87   0.02   0.46) =   0.022%
          HA    GLN   90 - QB    PHE   55  15.21 +/- 1.17   0.002% *  0.5655% (0.95   0.02   0.02) =   0.000%
        T HA    VAL   42 - QB    PHE   55  16.16 +/- 0.39   0.001% *  0.3384% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 4.43, residual support = 112.6:
    * O T HB    ILE   56 - HA    ILE   56   2.77 +/- 0.04  98.406% * 96.8304% (1.00   4.43 112.56) =  99.996%  kept
        T HB3   PRO   58 - HA    ILE   56   5.65 +/- 0.16   1.373% *  0.2127% (0.49   0.02   0.19) =   0.003%
          HG2   ARG+  54 - HA    ILE   56   8.35 +/- 0.89   0.179% *  0.1796% (0.41   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    ILE   56  11.53 +/- 0.61   0.020% *  0.3002% (0.69   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    ILE   56  12.78 +/- 0.32   0.010% *  0.3340% (0.76   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    ILE   56  13.68 +/- 0.20   0.007% *  0.1959% (0.45   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE   56  17.62 +/- 0.68   0.002% *  0.2827% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE   56  19.47 +/- 0.50   0.001% *  0.3173% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ILE   56  20.66 +/- 0.35   0.001% *  0.3650% (0.84   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE   56  19.16 +/- 0.86   0.001% *  0.1491% (0.34   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    ILE   56  19.85 +/- 0.31   0.001% *  0.1640% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE   56  22.13 +/- 0.37   0.000% *  0.2474% (0.57   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE   56  27.02 +/- 0.28   0.000% *  0.4217% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 4.46, residual support = 112.6:
    * O   QG2   ILE   56 - HA    ILE   56   3.06 +/- 0.05  99.916% * 97.8236% (1.00   4.46 112.56) = 100.000%  kept
          QB    ALA   91 - HA    ILE   56  12.32 +/- 1.22   0.034% *  0.3185% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   56  11.59 +/- 1.03   0.040% *  0.0868% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ILE   56  17.92 +/- 0.26   0.002% *  0.4149% (0.95   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    ILE   56  17.97 +/- 0.40   0.002% *  0.3185% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    ILE   56  20.22 +/- 0.30   0.001% *  0.2837% (0.65   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   56  18.62 +/- 0.33   0.002% *  0.1646% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   56  19.70 +/- 0.62   0.001% *  0.0768% (0.18   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   56  22.24 +/- 0.64   0.001% *  0.0976% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HA    ILE   56  28.37 +/- 0.54   0.000% *  0.4149% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 561 (1.72, 4.38, 60.23 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 112.6:
    * O T QG1   ILE   56 - HA    ILE   56   2.46 +/- 0.04  99.972% * 98.3551% (1.00   3.76 112.56) = 100.000%  kept
          HB3   MET   92 - HA    ILE   56  10.07 +/- 0.35   0.022% *  0.1035% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HA    ILE   56  14.77 +/- 0.56   0.002% *  0.2545% (0.49   0.02   0.02) =   0.000%
          HB    ILE   89 - HA    ILE   56  15.52 +/- 0.15   0.002% *  0.3382% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    ILE   56  15.72 +/- 0.20   0.001% *  0.1614% (0.31   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - HA    ILE   56  20.20 +/- 0.69   0.000% *  0.5124% (0.98   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HA    ILE   56  18.54 +/- 0.33   0.001% *  0.2750% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 4.43, residual support = 112.6:
    * O T HA    ILE   56 - HB    ILE   56   2.77 +/- 0.04  99.839% * 97.8976% (1.00   4.43 112.56) = 100.000%  kept
        T HA    PRO   58 - HB    ILE   56   8.41 +/- 0.10   0.128% *  0.1228% (0.28   0.02   0.19) =   0.000%
          HA    ASP- 113 - HB    ILE   56  10.68 +/- 0.39   0.031% *  0.2858% (0.65   0.02   0.02) =   0.000%
        T HA    LEU  123 - HB    ILE   56  18.49 +/- 0.44   0.001% *  0.4331% (0.98   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB    ILE   56  21.47 +/- 0.26   0.000% *  0.4179% (0.95   0.02   0.02) =   0.000%
          HA    LEU   40 - HB    ILE   56  20.40 +/- 0.38   0.001% *  0.1816% (0.41   0.02   0.02) =   0.000%
          HA    ASN   35 - HB    ILE   56  25.72 +/- 0.43   0.000% *  0.4408% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB    ILE   56  21.53 +/- 0.50   0.000% *  0.1102% (0.25   0.02   0.02) =   0.000%
          HA    SER   13 - HB    ILE   56  27.05 +/- 1.34   0.000% *  0.1102% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 5.39, residual support = 112.6:
    * O T QG2   ILE   56 - HB    ILE   56   2.11 +/- 0.01  99.980% * 98.1909% (1.00   5.39 112.56) = 100.000%  kept
          QB    ALA   91 - HB    ILE   56  10.14 +/- 1.23   0.014% *  0.2647% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   56  11.27 +/- 0.83   0.005% *  0.0721% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - HB    ILE   56  18.27 +/- 0.28   0.000% *  0.3449% (0.95   0.02   0.02) =   0.000%
          QG2   THR   39 - HB    ILE   56  18.96 +/- 0.42   0.000% *  0.2647% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - HB    ILE   56  19.30 +/- 0.34   0.000% *  0.2358% (0.65   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   56  19.24 +/- 0.37   0.000% *  0.1368% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   56  20.54 +/- 0.71   0.000% *  0.0638% (0.18   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HB    ILE   56  28.98 +/- 0.67   0.000% *  0.3449% (0.95   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   56  23.00 +/- 0.67   0.000% *  0.0812% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 4.47, residual support = 112.6:
    * O T QG1   ILE   56 - HB    ILE   56   2.36 +/- 0.03  99.891% * 98.6119% (1.00   4.47 112.56) = 100.000%  kept
          HB3   MET   92 - HB    ILE   56   7.50 +/- 0.37   0.103% *  0.0873% (0.20   0.02   0.02) =   0.000%
          HB    ILE   89 - HB    ILE   56  13.66 +/- 0.26   0.003% *  0.2854% (0.65   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HB    ILE   56  14.22 +/- 0.63   0.002% *  0.2147% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB    ILE   56  15.61 +/- 0.24   0.001% *  0.1362% (0.31   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB    ILE   56  20.86 +/- 0.66   0.000% *  0.4324% (0.98   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HB    ILE   56  19.39 +/- 0.36   0.000% *  0.2321% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 5.39, residual support = 112.6:
    * O T HB    ILE   56 - QG2   ILE   56   2.11 +/- 0.01  99.755% * 97.3775% (1.00   5.39 112.56) = 100.000%  kept
          HB2   MET   92 - QG2   ILE   56   7.40 +/- 0.55   0.062% *  0.2484% (0.69   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE   56   6.86 +/- 0.37   0.090% *  0.1486% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG2   ILE   56   7.09 +/- 0.08   0.069% *  0.1760% (0.49   0.02   0.19) =   0.000%
          QB    LYS+ 106 - QG2   ILE   56   9.54 +/- 0.38   0.012% *  0.2763% (0.76   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG2   ILE   56  11.10 +/- 0.32   0.005% *  0.1621% (0.45   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   ILE   56  11.96 +/- 0.45   0.003% *  0.2339% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE   56  13.55 +/- 0.42   0.001% *  0.2625% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   ILE   56  15.21 +/- 0.28   0.001% *  0.3020% (0.84   0.02   0.02) =   0.000%
          HB    ILE  103 - QG2   ILE   56  15.21 +/- 0.32   0.001% *  0.1357% (0.38   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE   56  17.02 +/- 0.28   0.000% *  0.2047% (0.57   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE   56  16.56 +/- 0.77   0.000% *  0.1233% (0.34   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - QG2   ILE   56  21.57 +/- 0.31   0.000% *  0.3489% (0.97   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 4.59, residual support = 112.6:
    * O T QG1   ILE   56 - QG2   ILE   56   2.14 +/- 0.01  99.794% * 98.6469% (1.00   4.59 112.56) = 100.000%  kept
          HB3   MET   92 - QG2   ILE   56   6.16 +/- 0.33   0.185% *  0.0851% (0.20   0.02   0.02) =   0.000%
          HB    ILE   89 - QG2   ILE   56  10.09 +/- 0.15   0.009% *  0.2782% (0.65   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QG2   ILE   56  11.28 +/- 0.59   0.005% *  0.2093% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG2   ILE   56  11.01 +/- 0.19   0.005% *  0.1327% (0.31   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG2   ILE   56  16.11 +/- 0.53   0.001% *  0.4215% (0.98   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG2   ILE   56  15.08 +/- 0.30   0.001% *  0.2262% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 573 (4.38, 1.72, 31.79 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.76, residual support = 112.6:
    * O T HA    ILE   56 - QG1   ILE   56   2.46 +/- 0.04  99.772% * 97.5331% (1.00   3.76 112.56) = 100.000%  kept
          HA    PRO   58 - QG1   ILE   56   7.16 +/- 0.19   0.166% *  0.1441% (0.28   0.02   0.19) =   0.000%
        T HA    ASP- 113 - QG1   ILE   56   8.64 +/- 0.38   0.056% *  0.3354% (0.65   0.02   0.02) =   0.000%
          HA    LEU  123 - QG1   ILE   56  14.44 +/- 0.47   0.002% *  0.5081% (0.98   0.02   0.02) =   0.000%
        T HA    LYS+  99 - QG1   ILE   56  17.06 +/- 0.24   0.001% *  0.4904% (0.95   0.02   0.02) =   0.000%
          HA    LEU   40 - QG1   ILE   56  16.14 +/- 0.38   0.001% *  0.2131% (0.41   0.02   0.02) =   0.000%
          HA    ASN   35 - QG1   ILE   56  21.20 +/- 0.42   0.000% *  0.5172% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - QG1   ILE   56  18.11 +/- 0.41   0.001% *  0.1293% (0.25   0.02   0.02) =   0.000%
          HA    SER   13 - QG1   ILE   56  23.30 +/- 1.07   0.000% *  0.1293% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 4.47, residual support = 112.6:
    * O T HB    ILE   56 - QG1   ILE   56   2.36 +/- 0.03  99.700% * 96.8572% (1.00   4.47 112.56) =  99.999%  kept
          HB3   PRO   58 - QG1   ILE   56   6.97 +/- 0.24   0.158% *  0.2109% (0.49   0.02   0.19) =   0.000%
          HB2   MET   92 - QG1   ILE   56   8.41 +/- 0.46   0.053% *  0.2976% (0.69   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG1   ILE   56   9.17 +/- 0.32   0.030% *  0.3311% (0.76   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG1   ILE   56   9.05 +/- 0.71   0.037% *  0.1781% (0.41   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG1   ILE   56  10.38 +/- 0.30   0.014% *  0.1943% (0.45   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG1   ILE   56  13.61 +/- 0.63   0.003% *  0.2803% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG1   ILE   56  15.86 +/- 0.52   0.001% *  0.3146% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG1   ILE   56  17.36 +/- 0.33   0.001% *  0.3619% (0.84   0.02   0.02) =   0.000%
          HB    ILE  103 - QG1   ILE   56  15.38 +/- 0.33   0.001% *  0.1626% (0.38   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG1   ILE   56  17.15 +/- 1.16   0.001% *  0.1478% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG1   ILE   56  18.91 +/- 0.33   0.000% *  0.2453% (0.57   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG1   ILE   56  22.75 +/- 0.42   0.000% *  0.4182% (0.97   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 4.59, residual support = 112.6:
    * O T QG2   ILE   56 - QG1   ILE   56   2.14 +/- 0.01  99.957% * 97.8827% (1.00   4.59 112.56) = 100.000%  kept
          QB    ALA   91 - QG1   ILE   56   9.27 +/- 1.12   0.026% *  0.3098% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QG1   ILE   56   9.81 +/- 1.00   0.013% *  0.0844% (0.20   0.02   0.02) =   0.000%
          QB    ALA   34 - QG1   ILE   56  14.93 +/- 0.29   0.001% *  0.4036% (0.95   0.02   0.02) =   0.000%
          QG2   THR   39 - QG1   ILE   56  15.31 +/- 0.44   0.001% *  0.3098% (0.73   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   ILE   56  17.31 +/- 0.32   0.000% *  0.2760% (0.65   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG1   ILE   56  16.44 +/- 0.27   0.000% *  0.1601% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - QG1   ILE   56  16.88 +/- 0.61   0.000% *  0.0747% (0.18   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG1   ILE   56  18.32 +/- 0.54   0.000% *  0.0950% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QG1   ILE   56  23.91 +/- 0.63   0.000% *  0.4036% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.902, support = 6.4, residual support = 126.8:
    * O T HA    PRO   58 - HD2   PRO   58   3.79 +/- 0.00  55.050% * 90.7982% (0.95   6.70 135.55) =  93.511%  kept
          HA    ILE   56 - HD2   PRO   58   3.93 +/- 0.17  44.810% *  7.7396% (0.26   2.06   0.19) =   6.488%  kept
          HA    THR   46 - HD2   PRO   58  10.80 +/- 0.32   0.105% *  0.1643% (0.57   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   58  14.03 +/- 0.56   0.022% *  0.1425% (0.50   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   58  19.64 +/- 0.48   0.003% *  0.2703% (0.94   0.02   0.02) =   0.000%
          HA    LEU  123 - HD2   PRO   58  17.50 +/- 0.53   0.006% *  0.1017% (0.36   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   58  21.54 +/- 0.29   0.002% *  0.2614% (0.91   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   58  24.77 +/- 1.34   0.001% *  0.2703% (0.94   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   58  28.37 +/- 0.47   0.000% *  0.1425% (0.50   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD2   PRO   58  23.14 +/- 0.30   0.001% *  0.0418% (0.15   0.02   0.02) =   0.000%
          HA    ASN   35 - HD2   PRO   58  27.16 +/- 0.41   0.000% *  0.0675% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 584 (2.35, 3.81, 50.93 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 6.62, residual support = 135.6:
    * O T HB2   PRO   58 - HD2   PRO   58   3.53 +/- 0.00  99.784% * 99.3473% (0.95   6.62 135.55) = 100.000%  kept
          HB2   GLN  116 - HD2   PRO   58  11.82 +/- 0.64   0.078% *  0.1701% (0.54   0.02   0.02) =   0.000%
          HG2   PRO   52 - HD2   PRO   58  10.79 +/- 0.59   0.131% *  0.0463% (0.15   0.02   0.02) =   0.000%
          HB3   PHE   97 - HD2   PRO   58  18.02 +/- 0.26   0.006% *  0.2181% (0.69   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HD2   PRO   58  27.95 +/- 0.40   0.000% *  0.1347% (0.42   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD2   PRO   58  29.48 +/- 0.42   0.000% *  0.0835% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 0.781, support = 0.0198, residual support = 118.3:
    * O T HB3   PRO   58 - HD2   PRO   58   4.12 +/- 0.00  83.261% * 12.9891% (0.79   0.02 135.55) =  87.223%  kept
          HB    ILE   56 - HD2   PRO   58   5.78 +/- 0.12  11.083% * 12.9891% (0.79   0.02   0.19) =  11.611%  kept
          HG2   ARG+  54 - HD2   PRO   58   6.74 +/- 0.74   5.539% *  2.3994% (0.15   0.02   0.02) =   1.072%
          HB2   MET   92 - HD2   PRO   58  14.27 +/- 0.92   0.054% * 15.0076% (0.91   0.02   0.02) =   0.065%
          QB    LYS+ 106 - HD2   PRO   58  16.03 +/- 0.35   0.024% *  6.3931% (0.39   0.02   0.02) =   0.013%
        T HB3   GLN   30 - HD2   PRO   58  21.47 +/- 0.37   0.004% * 15.5508% (0.95   0.02   0.02) =   0.005%
          HB3   ASP- 105 - HD2   PRO   58  16.77 +/- 0.26   0.019% *  2.7234% (0.17   0.02   0.02) =   0.004%
          HB3   GLN   90 - HD2   PRO   58  20.24 +/- 0.60   0.006% *  4.7997% (0.29   0.02   0.02) =   0.002%
          QB    LYS+  81 - HD2   PRO   58  21.03 +/- 0.43   0.005% *  5.8364% (0.36   0.02   0.02) =   0.002%
          QB    LYS+  33 - HD2   PRO   58  22.69 +/- 0.36   0.003% *  3.8776% (0.24   0.02   0.02) =   0.001%
        T HB3   LYS+  38 - HD2   PRO   58  28.66 +/- 0.30   0.001% * 14.7104% (0.89   0.02   0.02) =   0.001%
          HG3   MET   11 - HD2   PRO   58  29.93 +/- 2.44   0.001% *  2.7234% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 20 structures by 0.52 A, eliminated.
    Peak unassigned.
 
    Peak 586 (2.08, 3.81, 50.93 ppm):
    8 chemical-shift based assignments, quality = 0.946, support = 6.62, residual support = 135.6:
    * O T HG2   PRO   58 - HD2   PRO   58   2.91 +/- 0.00  99.813% * 98.8029% (0.95   6.62 135.55) = 100.000%  kept
        T HG3   PRO   52 - HD2   PRO   58  10.58 +/- 0.55   0.046% *  0.2987% (0.95   0.02   0.02) =   0.000%
          HB2   PRO   93 - HD2   PRO   58   8.79 +/- 0.44   0.139% *  0.0922% (0.29   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   58  21.68 +/- 1.79   0.001% *  0.2961% (0.94   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD2   PRO   58  19.33 +/- 1.24   0.001% *  0.1121% (0.36   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   58  29.69 +/- 2.22   0.000% *  0.2928% (0.93   0.02   0.02) =   0.000%
          QB    GLN   32 - HD2   PRO   58  25.45 +/- 0.36   0.000% *  0.0591% (0.19   0.02   0.02) =   0.000%
          HB    VAL   24 - HD2   PRO   58  25.40 +/- 0.94   0.000% *  0.0461% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 587 (3.81, 3.81, 50.93 ppm):
    1 diagonal assignment:
    *     HD2   PRO   58 - HD2   PRO   58  (0.89)  kept
 
    Peak 588 (4.41, 4.41, 66.06 ppm):
    1 diagonal assignment:
    *     HA    PRO   58 - HA    PRO   58  (1.00)  kept
 
    Peak 589 (2.35, 4.41, 66.06 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 135.6:
    * O T HB2   PRO   58 - HA    PRO   58   2.30 +/- 0.00  99.992% * 99.2784% (1.00   5.98 135.55) = 100.000%  kept
        T HB2   GLN  116 - HA    PRO   58  12.29 +/- 0.61   0.005% *  0.1880% (0.57   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    PRO   58  16.74 +/- 0.33   0.001% *  0.2411% (0.73   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    PRO   58  13.90 +/- 0.73   0.002% *  0.0512% (0.15   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    PRO   58  26.09 +/- 0.41   0.000% *  0.1489% (0.45   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    PRO   58  28.75 +/- 0.41   0.000% *  0.0923% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 6.19, residual support = 135.6:
    * O T HB3   PRO   58 - HA    PRO   58   2.73 +/- 0.00  99.829% * 97.8822% (0.84   6.19 135.55) = 100.000%  kept
        T HB    ILE   56 - HA    PRO   58   8.41 +/- 0.10   0.118% *  0.3161% (0.84   0.02   0.19) =   0.000%
          HG2   ARG+  54 - HA    PRO   58  10.03 +/- 0.65   0.044% *  0.0584% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    PRO   58  16.85 +/- 0.80   0.002% *  0.3653% (0.97   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    PRO   58  16.29 +/- 0.31   0.002% *  0.1556% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    PRO   58  19.88 +/- 0.50   0.001% *  0.3785% (1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    PRO   58  15.84 +/- 0.33   0.003% *  0.0663% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    PRO   58  20.68 +/- 0.45   0.001% *  0.0944% (0.25   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    PRO   58  22.23 +/- 0.39   0.000% *  0.1421% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    PRO   58  26.24 +/- 0.37   0.000% *  0.3580% (0.95   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    PRO   58  22.11 +/- 0.51   0.000% *  0.1168% (0.31   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    PRO   58  27.16 +/- 2.30   0.000% *  0.0663% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 591 (2.08, 4.41, 66.06 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 135.6:
    * O T HG2   PRO   58 - HA    PRO   58   3.97 +/- 0.00  99.654% * 98.6772% (1.00   5.98 135.55) =  99.999%  kept
          HB2   PRO   93 - HA    PRO   58  10.88 +/- 0.25   0.238% *  0.1019% (0.31   0.02   0.02) =   0.000%
        T HG3   PRO   52 - HA    PRO   58  13.64 +/- 0.65   0.063% *  0.3301% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   68 - HA    PRO   58  15.79 +/- 1.38   0.030% *  0.1239% (0.38   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   58  18.91 +/- 1.64   0.010% *  0.3272% (0.99   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   58  26.90 +/- 2.04   0.001% *  0.3235% (0.98   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   58  23.90 +/- 0.41   0.002% *  0.0653% (0.20   0.02   0.02) =   0.000%
          HB    VAL   24 - HA    PRO   58  25.29 +/- 0.89   0.002% *  0.0509% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.17 A, kept.
 
    Peak 592 (3.81, 4.41, 66.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.7, residual support = 135.6:
    * O T HD2   PRO   58 - HA    PRO   58   3.79 +/- 0.00  99.493% * 99.1897% (0.95   6.70 135.55) =  99.999%  kept
          HB2   CYS   53 - HA    PRO   58   9.20 +/- 0.37   0.503% *  0.1067% (0.34   0.02   0.02) =   0.001%
          HA    VAL   83 - HA    PRO   58  24.63 +/- 0.41   0.001% *  0.3066% (0.98   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HA    PRO   58  25.30 +/- 0.50   0.001% *  0.3100% (0.99   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HA    PRO   58  24.98 +/- 0.33   0.001% *  0.0870% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 593 (4.41, 2.35, 31.07 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.98, residual support = 135.6:
    * O T HA    PRO   58 - HB2   PRO   58   2.30 +/- 0.00  99.743% * 98.1366% (1.00   5.98 135.55) = 100.000%  kept
          HA    ILE   56 - HB2   PRO   58   6.26 +/- 0.13   0.249% *  0.0913% (0.28   0.02   0.19) =   0.000%
          HA    GLN   17 - HB2   PRO   58  12.91 +/- 0.56   0.003% *  0.1727% (0.53   0.02   0.02) =   0.000%
          HA    THR   46 - HB2   PRO   58  13.76 +/- 0.32   0.002% *  0.1991% (0.61   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   PRO   58  15.44 +/- 0.64   0.001% *  0.1232% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   PRO   58  18.76 +/- 0.52   0.000% *  0.3275% (1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   PRO   58  21.28 +/- 0.35   0.000% *  0.3168% (0.97   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   PRO   58  23.87 +/- 1.39   0.000% *  0.3275% (1.00   0.02   0.02) =   0.000%
          HA    SER   37 - HB2   PRO   58  27.77 +/- 0.57   0.000% *  0.1727% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PRO   58  23.06 +/- 0.43   0.000% *  0.0507% (0.15   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PRO   58  27.32 +/- 0.49   0.000% *  0.0819% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 594 (2.35, 2.35, 31.07 ppm):
    1 diagonal assignment:
    *     HB2   PRO   58 - HB2   PRO   58  (1.00)  kept
 
    Peak 595 (1.89, 2.35, 31.07 ppm):
    12 chemical-shift based assignments, quality = 0.835, support = 4.2, residual support = 135.6:
    * O T HB3   PRO   58 - HB2   PRO   58   1.75 +/- 0.00  99.989% * 96.9113% (0.84   4.20 135.55) = 100.000%  kept
          HB    ILE   56 - HB2   PRO   58   8.75 +/- 0.14   0.006% *  0.4611% (0.84   0.02   0.19) =   0.000%
          HG2   ARG+  54 - HB2   PRO   58   9.75 +/- 0.79   0.004% *  0.0852% (0.15   0.02   0.02) =   0.000%
          HB2   MET   92 - HB2   PRO   58  17.46 +/- 0.82   0.000% *  0.5327% (0.97   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   PRO   58  17.28 +/- 0.33   0.000% *  0.2269% (0.41   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   PRO   58  22.16 +/- 0.48   0.000% *  0.5520% (1.00   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   PRO   58  17.00 +/- 0.30   0.000% *  0.0967% (0.18   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HB2   PRO   58  23.61 +/- 0.40   0.000% *  0.2072% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PRO   58  23.26 +/- 0.59   0.000% *  0.1704% (0.31   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PRO   58  28.15 +/- 0.42   0.000% *  0.5222% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PRO   58  22.69 +/- 0.46   0.000% *  0.1376% (0.25   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   58  29.04 +/- 2.47   0.000% *  0.0967% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 596 (2.08, 2.35, 31.07 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 135.6:
    * O T HG2   PRO   58 - HB2   PRO   58   2.96 +/- 0.00  99.962% * 98.0356% (1.00   4.00 135.55) = 100.000%  kept
        T HG3   PRO   52 - HB2   PRO   58  14.05 +/- 0.56   0.009% *  0.4902% (1.00   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   PRO   58  11.87 +/- 0.36   0.024% *  0.1513% (0.31   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB2   PRO   58  17.24 +/- 1.33   0.003% *  0.1840% (0.38   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB2   PRO   58  20.94 +/- 1.65   0.001% *  0.4858% (0.99   0.02   0.02) =   0.000%
          HG2   MET   11 - HB2   PRO   58  28.77 +/- 2.15   0.000% *  0.4805% (0.98   0.02   0.02) =   0.000%
          QB    GLN   32 - HB2   PRO   58  25.92 +/- 0.40   0.000% *  0.0970% (0.20   0.02   0.02) =   0.000%
          HB    VAL   24 - HB2   PRO   58  27.35 +/- 0.90   0.000% *  0.0756% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.02 A, kept.
 
    Peak 597 (3.81, 2.35, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.62, residual support = 135.6:
    * O T HD2   PRO   58 - HB2   PRO   58   3.53 +/- 0.00  99.800% * 99.1789% (0.95   6.62 135.55) = 100.000%  kept
          HB2   CYS   53 - HB2   PRO   58  10.00 +/- 0.35   0.199% *  0.1081% (0.34   0.02   0.02) =   0.000%
          HA    VAL   83 - HB2   PRO   58  26.50 +/- 0.39   0.001% *  0.3107% (0.98   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB2   PRO   58  27.16 +/- 0.48   0.000% *  0.3142% (0.99   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB2   PRO   58  26.98 +/- 0.36   0.001% *  0.0881% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 6.19, residual support = 135.6:
    * O T HA    PRO   58 - HB3   PRO   58   2.73 +/- 0.00  98.698% * 98.1996% (0.84   6.19 135.55) =  99.999%  kept
        T HA    ILE   56 - HB3   PRO   58   5.65 +/- 0.16   1.279% *  0.0882% (0.23   0.02   0.19) =   0.001%
          HA    GLN   17 - HB3   PRO   58  13.02 +/- 0.51   0.009% *  0.1669% (0.44   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   PRO   58  13.81 +/- 0.24   0.006% *  0.1924% (0.51   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   PRO   58  13.97 +/- 0.61   0.006% *  0.1190% (0.31   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   PRO   58  18.76 +/- 0.44   0.001% *  0.3165% (0.83   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   PRO   58  20.22 +/- 0.39   0.001% *  0.3061% (0.81   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   PRO   58  24.16 +/- 1.27   0.000% *  0.3165% (0.83   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PRO   58  21.91 +/- 0.44   0.000% *  0.0489% (0.13   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   PRO   58  27.08 +/- 0.59   0.000% *  0.1669% (0.44   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PRO   58  26.53 +/- 0.51   0.000% *  0.0791% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 599 (2.35, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.835, support = 4.2, residual support = 135.6:
    * O T HB2   PRO   58 - HB3   PRO   58   1.75 +/- 0.00  99.996% * 98.9767% (0.84   4.20 135.55) = 100.000%  kept
          HB2   GLN  116 - HB3   PRO   58  10.07 +/- 0.71   0.003% *  0.2666% (0.47   0.02   0.02) =   0.000%
        T HB3   PHE   97 - HB3   PRO   58  16.89 +/- 0.33   0.000% *  0.3419% (0.61   0.02   0.02) =   0.000%
          HG2   PRO   52 - HB3   PRO   58  14.36 +/- 0.68   0.000% *  0.0727% (0.13   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   PRO   58  26.61 +/- 0.49   0.000% *  0.2111% (0.37   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HB3   PRO   58  31.05 +/- 0.34   0.000% *  0.1309% (0.23   0.02   0.02) =   0.000%
    Distance limit 2.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 600 (1.89, 1.89, 31.07 ppm):
    1 diagonal assignment:
    *     HB3   PRO   58 - HB3   PRO   58  (0.70)  kept
 
    Peak 601 (2.08, 1.89, 31.07 ppm):
    8 chemical-shift based assignments, quality = 0.835, support = 4.2, residual support = 135.6:
    * O T HG2   PRO   58 - HB3   PRO   58   2.31 +/- 0.00  99.991% * 98.1290% (0.84   4.20 135.55) = 100.000%  kept
        T HG3   PRO   52 - HB3   PRO   58  14.13 +/- 0.59   0.002% *  0.4669% (0.84   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB3   PRO   58  11.67 +/- 0.34   0.006% *  0.1441% (0.26   0.02   0.02) =   0.000%
          HB2   PRO   68 - HB3   PRO   58  16.65 +/- 1.09   0.001% *  0.1752% (0.31   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HB3   PRO   58  21.21 +/- 1.55   0.000% *  0.4627% (0.83   0.02   0.02) =   0.000%
        T HG2   MET   11 - HB3   PRO   58  29.10 +/- 2.01   0.000% *  0.4576% (0.82   0.02   0.02) =   0.000%
          QB    GLN   32 - HB3   PRO   58  25.60 +/- 0.37   0.000% *  0.0924% (0.17   0.02   0.02) =   0.000%
          HB    VAL   24 - HB3   PRO   58  27.29 +/- 0.93   0.000% *  0.0720% (0.13   0.02   0.02) =   0.000%
    Distance limit 2.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 602 (3.81, 1.89, 31.07 ppm):
    5 chemical-shift based assignments, quality = 0.79, support = 6.99, residual support = 135.6:
    * O T HD2   PRO   58 - HB3   PRO   58   4.12 +/- 0.00  99.641% * 99.2221% (0.79   6.99 135.55) = 100.000%  kept
          HB2   CYS   53 - HB3   PRO   58  10.59 +/- 0.33   0.354% *  0.1024% (0.28   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB3   PRO   58  26.07 +/- 0.48   0.002% *  0.2976% (0.83   0.02   0.02) =   0.000%
          HA    VAL   83 - HB3   PRO   58  26.10 +/- 0.37   0.002% *  0.2943% (0.82   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB3   PRO   58  26.05 +/- 0.40   0.002% *  0.0835% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.25 A, kept.
 
    Peak 603 (4.41, 2.08, 28.60 ppm):
    22 chemical-shift based assignments, quality = 0.974, support = 5.79, residual support = 130.6:
    * O T HA    PRO   58 - HG2   PRO   58   3.97 +/- 0.00  43.825% * 93.5932% (1.00   5.98 135.55) =  96.344%  kept
          HA    ILE   56 - HG2   PRO   58   3.87 +/- 0.18  51.222% *  3.0246% (0.28   0.69   0.19) =   3.639%  kept
          HA    THR   46 - HG3   PRO   52   6.15 +/- 0.91   4.471% *  0.1537% (0.49   0.02   0.02) =   0.016%
          HA    ILE   56 - HG3   PRO   52   8.98 +/- 0.62   0.366% *  0.0705% (0.23   0.02   0.02) =   0.001%
          HA    THR   46 - HG2   PRO   58  12.66 +/- 0.20   0.042% *  0.1899% (0.61   0.02   0.02) =   0.000%
        T HA    PRO   58 - HG3   PRO   52  13.64 +/- 0.65   0.028% *  0.2535% (0.81   0.02   0.02) =   0.000%
          HA    GLN   17 - HG2   PRO   58  14.58 +/- 0.50   0.018% *  0.1647% (0.53   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   PRO   58  15.29 +/- 0.55   0.014% *  0.1175% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   PRO   58  20.23 +/- 0.41   0.003% *  0.3124% (1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   PRO   58  20.97 +/- 0.38   0.002% *  0.3021% (0.97   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   52  20.58 +/- 1.07   0.002% *  0.1333% (0.43   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   52  24.10 +/- 0.77   0.001% *  0.2446% (0.78   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   PRO   58  25.66 +/- 1.23   0.001% *  0.3124% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   52  24.81 +/- 1.08   0.001% *  0.2529% (0.81   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   PRO   52  24.57 +/- 0.67   0.001% *  0.0951% (0.30   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   52  29.72 +/- 2.14   0.000% *  0.2529% (0.81   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG2   PRO   58  22.49 +/- 0.38   0.001% *  0.0483% (0.15   0.02   0.02) =   0.000%
          HA    SER   37 - HG2   PRO   58  28.23 +/- 0.55   0.000% *  0.1647% (0.53   0.02   0.02) =   0.000%
          HA    ASN   35 - HG2   PRO   58  27.18 +/- 0.47   0.000% *  0.0781% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG3   PRO   52  24.92 +/- 0.68   0.001% *  0.0391% (0.12   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   52  31.43 +/- 0.94   0.000% *  0.1333% (0.43   0.02   0.02) =   0.000%
          HA    ASN   35 - HG3   PRO   52  28.09 +/- 0.86   0.000% *  0.0632% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 604 (2.35, 2.08, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.29, support = 5.6, residual support = 180.5:
      O T HG2   PRO   52 - HG3   PRO   52   1.75 +/- 0.00  95.834% * 15.4139% (0.12   5.97 191.00) =  81.117%  kept
    * O T HB2   PRO   58 - HG2   PRO   58   2.96 +/- 0.00   4.159% * 82.6776% (1.00   4.00 135.55) =  18.883%  kept
          HB2   GLN  116 - HG2   PRO   58   9.29 +/- 0.69   0.005% *  0.2340% (0.57   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HG3   PRO   52  14.05 +/- 0.56   0.000% *  0.3347% (0.81   0.02   0.02) =   0.000%
        T HG2   PRO   52 - HG2   PRO   58  12.43 +/- 0.64   0.001% *  0.0638% (0.15   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   PRO   58  17.07 +/- 0.30   0.000% *  0.3002% (0.73   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG3   PRO   52  16.26 +/- 0.59   0.000% *  0.1895% (0.46   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   PRO   52  19.67 +/- 0.61   0.000% *  0.2430% (0.59   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   PRO   58  27.17 +/- 0.50   0.000% *  0.1853% (0.45   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG3   PRO   52  27.05 +/- 0.98   0.000% *  0.0930% (0.23   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   PRO   52  29.28 +/- 0.82   0.000% *  0.1500% (0.36   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HG2   PRO   58  31.16 +/- 0.32   0.000% *  0.1149% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 605 (1.89, 2.08, 28.60 ppm):
    24 chemical-shift based assignments, quality = 0.835, support = 4.2, residual support = 135.5:
    * O T HB3   PRO   58 - HG2   PRO   58   2.31 +/- 0.00  95.571% * 94.2041% (0.84   4.20 135.55) =  99.980%  kept
          HB2   MET   92 - HG3   PRO   52   5.27 +/- 1.12   3.844% *  0.4192% (0.78   0.02   0.02) =   0.018%
          HB    ILE   56 - HG3   PRO   52   6.40 +/- 0.69   0.270% *  0.3628% (0.68   0.02   0.02) =   0.001%
          HB    ILE   56 - HG2   PRO   58   6.45 +/- 0.20   0.202% *  0.4482% (0.84   0.02   0.19) =   0.001%
          HG2   ARG+  54 - HG3   PRO   52   7.93 +/- 0.46   0.062% *  0.0670% (0.12   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   PRO   58   9.14 +/- 1.01   0.035% *  0.0828% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   PRO   52  11.81 +/- 0.45   0.005% *  0.1341% (0.25   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HG3   PRO   52  14.13 +/- 0.59   0.002% *  0.3628% (0.68   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   PRO   58  15.24 +/- 0.70   0.001% *  0.5178% (0.97   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   PRO   52  14.16 +/- 0.38   0.002% *  0.1786% (0.33   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG3   PRO   52  14.15 +/- 0.79   0.002% *  0.1630% (0.30   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG2   PRO   58  15.43 +/- 0.37   0.001% *  0.2206% (0.41   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   PRO   58  15.45 +/- 0.27   0.001% *  0.0940% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   PRO   58  22.43 +/- 0.39   0.000% *  0.5366% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   PRO   52  22.02 +/- 1.02   0.000% *  0.4344% (0.81   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   PRO   52  18.54 +/- 0.64   0.000% *  0.0761% (0.14   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   PRO   58  21.41 +/- 0.71   0.000% *  0.1656% (0.31   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   PRO   58  22.59 +/- 0.44   0.000% *  0.2014% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   PRO   58  28.12 +/- 0.43   0.000% *  0.5076% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG2   PRO   58  23.22 +/- 0.40   0.000% *  0.1338% (0.25   0.02   0.02) =   0.000%
          QB    LYS+  33 - HG3   PRO   52  24.45 +/- 0.86   0.000% *  0.1083% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   PRO   52  31.22 +/- 0.83   0.000% *  0.4109% (0.77   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG2   PRO   58  30.87 +/- 2.29   0.000% *  0.0940% (0.18   0.02   0.02) =   0.000%
        T HG3   MET   11 - HG3   PRO   52  34.55 +/- 3.17   0.000% *  0.0761% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 606 (2.08, 2.08, 28.60 ppm):
    2 diagonal assignments:
    *     HG2   PRO   58 - HG2   PRO   58  (1.00)  kept
          HG3   PRO   52 - HG3   PRO   52  (0.81)  kept
 
    Peak 607 (3.81, 2.08, 28.60 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 6.62, residual support = 135.6:
    * O T HD2   PRO   58 - HG2   PRO   58   2.91 +/- 0.00  98.118% * 98.2869% (0.95   6.62 135.55) =  99.998%  kept
          HB2   CYS   53 - HG3   PRO   52   6.13 +/- 0.85   1.742% *  0.0867% (0.28   0.02  48.98) =   0.002%
        T HD2   PRO   58 - HG3   PRO   52  10.58 +/- 0.55   0.045% *  0.2406% (0.77   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   PRO   58   9.32 +/- 0.29   0.093% *  0.1072% (0.34   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   52  19.00 +/- 0.78   0.001% *  0.2493% (0.79   0.02   0.02) =   0.000%
          HA    VAL   83 - HG2   PRO   58  25.45 +/- 0.37   0.000% *  0.3079% (0.98   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG2   PRO   58  26.66 +/- 0.41   0.000% *  0.3114% (0.99   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   52  28.43 +/- 0.78   0.000% *  0.2521% (0.80   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   58  26.89 +/- 0.35   0.000% *  0.0873% (0.28   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   52  29.28 +/- 0.83   0.000% *  0.0707% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 2.96, residual support = 54.7:
    * O T HB2   PHE   59 - HA    PHE   59   2.83 +/- 0.32  99.736% * 97.5864% (1.00   2.96  54.73) =  99.999%  kept
          QB    PHE   55 - HA    PHE   59   8.38 +/- 0.34   0.186% *  0.5905% (0.90   0.02   0.02) =   0.001%
          HD3   PRO   68 - HA    PHE   59  11.90 +/- 0.83   0.024% *  0.5500% (0.84   0.02   0.02) =   0.000%
          HB3   CYS   53 - HA    PHE   59  11.24 +/- 0.61   0.030% *  0.3994% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   93 - HA    PHE   59  13.12 +/- 0.27   0.012% *  0.5273% (0.80   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HA    PHE   59  13.35 +/- 0.90   0.012% *  0.3464% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 610 (3.16, 4.35, 60.90 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.93, residual support = 54.7:
    * O T HB3   PHE   59 - HA    PHE   59   2.66 +/- 0.28  99.999% * 99.7725% (1.00   3.93  54.73) = 100.000%  kept
          HB3   TRP   49 - HA    PHE   59  19.69 +/- 0.24   0.001% *  0.2275% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 2.96, residual support = 54.7:
    * O T HA    PHE   59 - HB2   PHE   59   2.83 +/- 0.32  99.951% * 98.9209% (1.00   2.96  54.73) = 100.000%  kept
          HA    ASP- 113 - HB2   PHE   59  10.23 +/- 0.99   0.046% *  0.3779% (0.57   0.02   0.02) =   0.000%
          HA    TRP   87 - HB2   PHE   59  18.17 +/- 0.57   0.002% *  0.4318% (0.65   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   PHE   59  18.26 +/- 0.36   0.002% *  0.1664% (0.25   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   PHE   59  23.03 +/- 0.58   0.000% *  0.1030% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 612 (3.32, 3.32, 39.73 ppm):
    1 diagonal assignment:
    *     HB2   PHE   59 - HB2   PHE   59  (1.00)  kept
 
    Peak 613 (3.16, 3.32, 39.73 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 54.7:
    * O T HB3   PHE   59 - HB2   PHE   59   1.75 +/- 0.00 100.000% * 99.7400% (1.00   3.44  54.73) = 100.000%  kept
          HB3   TRP   49 - HB2   PHE   59  17.37 +/- 0.71   0.000% *  0.2600% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.00 A, kept.
 
    Peak 614 (4.35, 3.16, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.93, residual support = 54.7:
    * O T HA    PHE   59 - HB3   PHE   59   2.66 +/- 0.28  99.955% * 99.1844% (1.00   3.93  54.73) = 100.000%  kept
          HA    ASP- 113 - HB3   PHE   59   9.76 +/- 0.59   0.043% *  0.2856% (0.57   0.02   0.02) =   0.000%
          HA    TRP   87 - HB3   PHE   59  18.51 +/- 0.54   0.001% *  0.3264% (0.65   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   PHE   59  18.50 +/- 0.36   0.001% *  0.1258% (0.25   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   PHE   59  23.39 +/- 0.56   0.000% *  0.0778% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 615 (3.32, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 54.7:
    * O T HB2   PHE   59 - HB3   PHE   59   1.75 +/- 0.00  99.957% * 97.9133% (1.00   3.44  54.73) = 100.000%  kept
          QB    PHE   55 - HB3   PHE   59   6.67 +/- 0.27   0.034% *  0.5105% (0.90   0.02   0.02) =   0.000%
          HB3   CYS   53 - HB3   PHE   59   9.33 +/- 0.96   0.006% *  0.3453% (0.61   0.02   0.02) =   0.000%
          HD3   PRO   93 - HB3   PHE   59  10.66 +/- 0.45   0.002% *  0.4558% (0.80   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HB3   PHE   59  12.11 +/- 0.85   0.001% *  0.2995% (0.53   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB3   PHE   59  14.04 +/- 0.85   0.000% *  0.4755% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.59 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 = 69.2:
    * O T HB2   PHE   60 - HA    PHE   60   2.97 +/- 0.15  99.993% * 99.5069% (1.00   4.00  69.18) = 100.000%  kept
          HB2   TRP   87 - HA    PHE   60  14.70 +/- 0.48   0.007% *  0.4931% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 69.2:
    * O T HB3   PHE   60 - HA    PHE   60   2.74 +/- 0.20  99.956% * 98.9080% (1.00   4.00  69.18) = 100.000%  kept
          HB2   PHE   97 - HA    PHE   60  10.58 +/- 0.38   0.033% *  0.2602% (0.53   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    PHE   60  13.97 +/- 0.85   0.007% *  0.4678% (0.95   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   60  15.43 +/- 0.34   0.003% *  0.2407% (0.49   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    PHE   60  19.90 +/- 0.54   0.001% *  0.1233% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 69.2:
    * O T HA    PHE   60 - HB2   PHE   60   2.97 +/- 0.15  99.926% * 99.2051% (1.00   4.00  69.18) = 100.000%  kept
          HB    THR   94 - HB2   PHE   60  11.05 +/- 0.60   0.039% *  0.1104% (0.22   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   60  13.95 +/- 0.63   0.010% *  0.3009% (0.61   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   60  13.20 +/- 0.48   0.014% *  0.1692% (0.34   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   PHE   60  14.47 +/- 0.28   0.008% *  0.0765% (0.15   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   60  16.36 +/- 0.55   0.004% *  0.1379% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 69.2:
    * O T HB3   PHE   60 - HB2   PHE   60   1.75 +/- 0.00  99.999% * 98.9080% (1.00   4.00  69.18) = 100.000%  kept
          HB2   PHE   97 - HB2   PHE   60  12.68 +/- 0.62   0.001% *  0.2602% (0.53   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HB2   PHE   60  15.22 +/- 0.99   0.000% *  0.4678% (0.95   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   PHE   60  14.84 +/- 0.51   0.000% *  0.2407% (0.49   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB2   PHE   60  21.01 +/- 0.65   0.000% *  0.1233% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.69 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 = 69.2:
    * O T HA    PHE   60 - HB3   PHE   60   2.74 +/- 0.20  99.943% * 99.2051% (1.00   4.00  69.18) = 100.000%  kept
          HB    THR   94 - HB3   PHE   60  10.43 +/- 0.94   0.034% *  0.1104% (0.22   0.02   0.02) =   0.000%
          QB    SER  117 - HB3   PHE   60  13.54 +/- 0.64   0.007% *  0.3009% (0.61   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   PHE   60  13.36 +/- 0.49   0.008% *  0.1692% (0.34   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB3   PHE   60  15.94 +/- 0.55   0.003% *  0.1379% (0.28   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   PHE   60  14.51 +/- 0.32   0.005% *  0.0765% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 69.2:
    * O T HB2   PHE   60 - HB3   PHE   60   1.75 +/- 0.00 100.000% * 99.5069% (1.00   4.00  69.18) = 100.000%  kept
          HB2   TRP   87 - HB3   PHE   60  14.22 +/- 0.81   0.000% *  0.4931% (0.99   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 625 (2.97, 2.97, 40.02 ppm):
    1 diagonal assignment:
    *     HB3   PHE   60 - HB3   PHE   60  (1.00)  kept
 
    Peak 626 (3.74, 3.74, 54.57 ppm):
    1 diagonal assignment:
    *     HA    ALA   61 - HA    ALA   61  (1.00)  kept
 
    Peak 627 (1.43, 3.74, 54.57 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 17.9:
    * O T QB    ALA   61 - HA    ALA   61   2.14 +/- 0.01  99.858% * 93.9378% (1.00   2.21  17.90) =  99.999%  kept
          QG    LYS+  66 - HA    ALA   61   7.10 +/- 0.72   0.087% *  0.7091% (0.84   0.02   0.02) =   0.001%
          HB3   LEU   67 - HA    ALA   61   9.32 +/- 0.66   0.016% *  0.8193% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA   61   8.87 +/- 0.53   0.021% *  0.2360% (0.28   0.02   0.02) =   0.000%
        T QB    ALA  110 - HA    ALA   61  11.74 +/- 0.45   0.004% *  0.7837% (0.92   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA   61  11.90 +/- 0.26   0.003% *  0.7364% (0.87   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA   61  11.98 +/- 0.30   0.003% *  0.5492% (0.65   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA   61  11.32 +/- 0.38   0.005% *  0.1680% (0.20   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA   61  14.07 +/- 1.18   0.001% *  0.1680% (0.20   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   61  18.37 +/- 1.10   0.000% *  0.8031% (0.95   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   61  17.98 +/- 0.84   0.000% *  0.2620% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   61  20.08 +/- 0.87   0.000% *  0.3806% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   61  24.62 +/- 1.08   0.000% *  0.4467% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 628 (3.74, 1.43, 17.92 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.21, residual support = 17.9:
    * O T HA    ALA   61 - QB    ALA   61   2.14 +/- 0.01  99.350% * 96.5609% (1.00   2.21  17.90) =  99.998%  kept
          HD3   PRO   58 - QB    ALA   61   5.42 +/- 0.14   0.379% *  0.3912% (0.45   0.02   1.11) =   0.002%
          HD3   PRO   58 - QB    ALA  110   5.87 +/- 0.43   0.255% *  0.2895% (0.33   0.02   0.02) =   0.001%
          HD2   PRO   68 - QB    ALA   61  10.85 +/- 0.45   0.006% *  0.8255% (0.95   0.02   0.02) =   0.000%
        T HA    ALA   61 - QB    ALA  110  11.74 +/- 0.45   0.004% *  0.6458% (0.74   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   61  12.19 +/- 0.28   0.003% *  0.1943% (0.22   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA  110  13.23 +/- 0.42   0.002% *  0.1438% (0.16   0.02   0.02) =   0.000%
          HD2   PRO   68 - QB    ALA  110  18.50 +/- 0.75   0.000% *  0.6109% (0.70   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   61  17.69 +/- 0.37   0.000% *  0.1943% (0.22   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA  110  18.60 +/- 0.41   0.000% *  0.1438% (0.16   0.02   0.02) =   0.000%
    Distance limit 2.82 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   2.94 +/- 0.20  99.997% * 99.6240% (1.00   3.00  41.02) = 100.000%  kept
          HB2   PRO   52 - HA    ASP-  62  16.54 +/- 0.54   0.003% *  0.3760% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.10 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   2.69 +/- 0.19  99.998% * 98.2309% (0.98   3.00  41.02) = 100.000%  kept
          HG3   MET   96 - HA    ASP-  62  18.10 +/- 0.41   0.001% *  0.5795% (0.87   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  62  25.53 +/- 2.02   0.000% *  0.4322% (0.65   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  62  25.78 +/- 0.88   0.000% *  0.3252% (0.49   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HA    ASP-  62  27.27 +/- 0.45   0.000% *  0.4322% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.04 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   2.94 +/- 0.20  99.972% * 98.8355% (1.00   3.00  41.02) = 100.000%  kept
          HA    SER  117 - HB2   ASP-  62  11.77 +/- 0.53   0.028% *  0.3730% (0.57   0.02   0.02) =   0.000%
          HB    THR   26 - HB2   ASP-  62  23.40 +/- 0.40   0.000% *  0.6082% (0.92   0.02   0.02) =   0.000%
          HA    SER   82 - HB2   ASP-  62  27.88 +/- 0.44   0.000% *  0.1832% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.22 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  41.02) = 100.000%  kept
          HG3   MET   96 - HB2   ASP-  62  16.58 +/- 0.54   0.000% *  0.5795% (0.87   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  62  26.18 +/- 1.88   0.000% *  0.4322% (0.65   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB2   ASP-  62  26.23 +/- 0.63   0.000% *  0.4322% (0.65   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  62  26.60 +/- 0.89   0.000% *  0.3252% (0.49   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   2.69 +/- 0.19  99.986% * 98.8355% (0.98   3.00  41.02) = 100.000%  kept
          HA    SER  117 - HB3   ASP-  62  12.51 +/- 0.71   0.013% *  0.3730% (0.55   0.02   0.02) =   0.000%
          HB    THR   26 - HB3   ASP-  62  23.51 +/- 0.50   0.000% *  0.6082% (0.90   0.02   0.02) =   0.000%
          HA    SER   82 - HB3   ASP-  62  28.18 +/- 0.65   0.000% *  0.1832% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.23 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  41.02) = 100.000%  kept
        T HB2   PRO   52 - HB3   ASP-  62  14.65 +/- 0.70   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 = 245.2:
    * O T HB2   LEU   63 - HA    LEU   63   2.97 +/- 0.05  99.793% * 97.4956% (1.00   6.28 245.20) =  99.999%  kept
          HB3   ASP-  44 - HA    LEU   63   9.41 +/- 0.55   0.106% *  0.3043% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   63  10.35 +/- 0.52   0.059% *  0.2784% (0.90   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   63  13.49 +/- 0.37   0.011% *  0.2008% (0.65   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   63  15.04 +/- 0.86   0.006% *  0.2486% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LEU   63  14.64 +/- 0.69   0.007% *  0.1757% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LEU   63  17.47 +/- 0.29   0.002% *  0.2593% (0.84   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   63  17.57 +/- 0.34   0.002% *  0.2132% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   63  14.61 +/- 0.42   0.007% *  0.0479% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LEU   63  20.07 +/- 0.56   0.001% *  0.2784% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LEU   63  21.66 +/- 1.15   0.001% *  0.3043% (0.98   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LEU   63  17.80 +/- 0.81   0.002% *  0.0544% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LEU   63  20.70 +/- 0.49   0.001% *  0.1392% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 245.2:
    * O T HB3   LEU   63 - HA    LEU   63   2.63 +/- 0.13  96.476% * 99.1436% (1.00   5.98 245.20) =  99.995%  kept
          QD1   LEU  123 - HA    LEU   63   5.13 +/- 1.03   2.890% *  0.1131% (0.34   0.02   0.02) =   0.003%
          QG1   VAL   70 - HA    LEU   63   6.43 +/- 0.48   0.542% *  0.1878% (0.57   0.02   0.02) =   0.001%
          QG1   VAL   18 - HA    LEU   63   8.96 +/- 0.63   0.077% *  0.2278% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU   63  12.00 +/- 0.72   0.012% *  0.1131% (0.34   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    LEU   63  15.20 +/- 0.31   0.003% *  0.2145% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 245.2:
    * O T HG    LEU   63 - HA    LEU   63   2.65 +/- 0.29  99.920% * 99.3738% (1.00   5.98 245.20) = 100.000%  kept
          QG1   VAL  107 - HA    LEU   63   9.07 +/- 0.36   0.073% *  0.0513% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    LEU   63  13.75 +/- 0.61   0.006% *  0.2541% (0.76   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LEU   63  20.22 +/- 0.36   0.001% *  0.3208% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.607, support = 5.73, residual support = 245.2:
        T QD2   LEU   63 - HA    LEU   63   2.32 +/- 0.24  94.135% * 36.1284% (0.57   5.74 245.20) =  90.505%  kept
    *   T QD1   LEU   63 - HA    LEU   63   3.81 +/- 0.10   5.652% * 63.1201% (1.00   5.67 245.20) =   9.494%  kept
          QD2   LEU  115 - HA    LEU   63   6.73 +/- 0.54   0.193% *  0.1859% (0.84   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HA    LEU   63  10.36 +/- 0.40   0.014% *  0.1260% (0.57   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  12.53 +/- 0.30   0.004% *  0.2225% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  17.81 +/- 0.69   0.001% *  0.1782% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU   63  19.40 +/- 0.61   0.000% *  0.0390% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.77 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 = 0.986, support = 5.73, residual support = 245.2:
    *   T QD2   LEU   63 - HA    LEU   63   2.32 +/- 0.24  94.132% * 63.7510% (1.00   5.74 245.20) =  96.747%  kept
        T QD1   LEU   63 - HA    LEU   63   3.81 +/- 0.10   5.652% * 35.7006% (0.57   5.67 245.20) =   3.253%  kept
          QD2   LEU  115 - HA    LEU   63   6.73 +/- 0.54   0.193% *  0.0554% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   63  10.95 +/- 0.45   0.010% *  0.1348% (0.61   0.02   0.02) =   0.000%
          QD2   LEU   98 - HA    LEU   63  11.51 +/- 0.56   0.008% *  0.0914% (0.41   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU   63  12.53 +/- 0.30   0.004% *  0.1259% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   80 - HA    LEU   63  18.60 +/- 1.33   0.001% *  0.0914% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU   63  17.81 +/- 0.69   0.001% *  0.0495% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.77 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 = 245.2:
    * O T HA    LEU   63 - HB2   LEU   63   2.97 +/- 0.05  99.998% * 99.6385% (1.00   6.28 245.20) = 100.000%  kept
        T HB2   HIS   22 - HB2   LEU   63  20.60 +/- 0.44   0.001% *  0.2424% (0.76   0.02   0.02) =   0.000%
          HA2   GLY  101 - HB2   LEU   63  19.35 +/- 0.62   0.001% *  0.1191% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 245.2:
    * O T HB3   LEU   63 - HB2   LEU   63   1.75 +/- 0.00  99.919% * 99.1887% (1.00   6.31 245.20) = 100.000%  kept
          QG1   VAL   18 - HB2   LEU   63   7.14 +/- 0.64   0.026% *  0.2158% (0.69   0.02   0.02) =   0.000%
          QG1   VAL   70 - HB2   LEU   63   7.27 +/- 0.53   0.022% *  0.1779% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   63   7.07 +/- 0.95   0.030% *  0.1072% (0.34   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU   63  11.41 +/- 0.93   0.002% *  0.1072% (0.34   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   63  13.28 +/- 0.41   0.001% *  0.2032% (0.65   0.02   0.02) =   0.000%
    Distance limit 2.72 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 = 245.2:
    * O T HG    LEU   63 - HB2   LEU   63   2.65 +/- 0.19  99.828% * 99.4069% (1.00   6.31 245.20) = 100.000%  kept
          QG1   VAL  107 - HB2   LEU   63   7.98 +/- 0.40   0.161% *  0.0486% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   LEU   63  12.65 +/- 0.72   0.010% *  0.2406% (0.76   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LEU   63  18.29 +/- 0.40   0.001% *  0.3039% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 0.945, support = 6.24, residual support = 245.2:
    * O T QD1   LEU   63 - HB2   LEU   63   2.26 +/- 0.19  79.447% * 63.2467% (1.00   6.24 245.20) =  87.265%  kept
      O T QD2   LEU   63 - HB2   LEU   63   3.01 +/- 0.36  20.330% * 36.0683% (0.57   6.28 245.20) =  12.735%  kept
          QD2   LEU  115 - HB2   LEU   63   6.23 +/- 0.62   0.209% *  0.1694% (0.84   0.02   0.02) =   0.001%
        T QD1   LEU   73 - HB2   LEU   63  11.03 +/- 0.37   0.006% *  0.2028% (1.00   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   63  10.57 +/- 0.55   0.007% *  0.1148% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  15.64 +/- 0.76   0.001% *  0.1624% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   63  17.32 +/- 0.61   0.000% *  0.0355% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 0.702, support = 6.25, residual support = 245.2:
      O T QD1   LEU   63 - HB2   LEU   63   2.26 +/- 0.19  79.435% * 35.8019% (0.57   6.24 245.20) =  68.714%  kept
    * O T QD2   LEU   63 - HB2   LEU   63   3.01 +/- 0.36  20.328% * 63.6978% (1.00   6.28 245.20) =  31.285%  kept
          QD2   LEU  115 - HB2   LEU   63   6.23 +/- 0.62   0.209% *  0.0506% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   LEU   63   9.77 +/- 0.55   0.012% *  0.1230% (0.61   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   LEU   63  10.20 +/- 0.62   0.009% *  0.0834% (0.41   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU   63  11.03 +/- 0.37   0.006% *  0.1148% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   LEU   63  16.38 +/- 1.26   0.001% *  0.0834% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU   63  15.64 +/- 0.76   0.001% *  0.0452% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 245.2:
    * O T HA    LEU   63 - HB3   LEU   63   2.63 +/- 0.13  99.999% * 99.6203% (1.00   5.98 245.20) = 100.000%  kept
          HA2   GLY  101 - HB3   LEU   63  18.11 +/- 0.66   0.001% *  0.1251% (0.38   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LEU   63  21.14 +/- 0.77   0.000% *  0.2547% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 245.2:
    * O T HB2   LEU   63 - HB3   LEU   63   1.75 +/- 0.00  99.972% * 97.5083% (1.00   6.31 245.20) = 100.000%  kept
          HB3   ASP-  44 - HB3   LEU   63   7.24 +/- 0.68   0.023% *  0.3027% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LEU   63  11.70 +/- 0.66   0.001% *  0.2770% (0.90   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB3   LEU   63  12.02 +/- 0.47   0.001% *  0.1998% (0.65   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LEU   63  12.72 +/- 0.89   0.001% *  0.2473% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LEU   63  13.27 +/- 0.81   0.001% *  0.1749% (0.57   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LEU   63  15.57 +/- 0.45   0.000% *  0.2122% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LEU   63  16.59 +/- 0.34   0.000% *  0.2580% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LEU   63  12.76 +/- 0.61   0.001% *  0.0477% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LEU   63  17.78 +/- 0.80   0.000% *  0.2770% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LEU   63  19.25 +/- 1.20   0.000% *  0.3027% (0.98   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LEU   63  15.89 +/- 0.83   0.000% *  0.0541% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LEU   63  19.20 +/- 0.65   0.000% *  0.1385% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.62 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 = 245.2:
    * O T HG    LEU   63 - HB3   LEU   63   2.93 +/- 0.17  99.745% * 99.3761% (1.00   6.00 245.20) = 100.000%  kept
          QG1   VAL  107 - HB3   LEU   63   8.13 +/- 0.44   0.244% *  0.0511% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU   63  13.98 +/- 0.75   0.009% *  0.2532% (0.76   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   LEU   63  18.17 +/- 0.56   0.002% *  0.3197% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.02 A, kept.
 
    Peak 655 (0.58, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.832, support = 5.95, residual support = 245.2:
    * O T QD1   LEU   63 - HB3   LEU   63   2.43 +/- 0.18  47.336% * 63.2193% (1.00   5.93 245.20) =  61.233%  kept
      O T QD2   LEU   63 - HB3   LEU   63   2.45 +/- 0.37  52.538% * 36.0611% (0.57   5.98 245.20) =  38.767%  kept
          QD2   LEU  115 - HB3   LEU   63   6.99 +/- 0.80   0.105% *  0.1780% (0.84   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   63   9.36 +/- 0.60   0.014% *  0.1206% (0.57   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU   63  10.65 +/- 0.58   0.006% *  0.2131% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  15.85 +/- 0.83   0.001% *  0.1706% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   63  17.30 +/- 0.69   0.000% *  0.0373% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 656 (0.57, 0.88, 41.55 ppm):
    8 chemical-shift based assignments, quality = 0.854, support = 5.96, residual support = 245.2:
    * O T QD2   LEU   63 - HB3   LEU   63   2.45 +/- 0.37  52.529% * 63.6870% (1.00   5.98 245.20) =  66.388%  kept
      O T QD1   LEU   63 - HB3   LEU   63   2.43 +/- 0.18  47.328% * 35.7874% (0.57   5.93 245.20) =  33.612%  kept
          QD2   LEU  115 - HB3   LEU   63   6.99 +/- 0.80   0.105% *  0.0531% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   63   9.06 +/- 0.58   0.017% *  0.1292% (0.61   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   63   9.51 +/- 0.61   0.012% *  0.0876% (0.41   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU   63  10.65 +/- 0.58   0.006% *  0.1206% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   63  16.66 +/- 1.42   0.000% *  0.0876% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   63  15.85 +/- 0.83   0.001% *  0.0474% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 245.2:
    * O T HA    LEU   63 - HG    LEU   63   2.65 +/- 0.29  99.999% * 99.6202% (1.00   5.98 245.20) = 100.000%  kept
          HA2   GLY  101 - HG    LEU   63  19.56 +/- 0.81   0.001% *  0.1251% (0.38   0.02   0.02) =   0.000%
          HB2   HIS   22 - HG    LEU   63  22.75 +/- 0.66   0.000% *  0.2547% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 245.2:
    * O T HB2   LEU   63 - HG    LEU   63   2.65 +/- 0.19  99.809% * 97.5083% (1.00   6.31 245.20) =  99.999%  kept
          HB3   ASP-  44 - HG    LEU   63   8.21 +/- 0.58   0.125% *  0.3027% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HG    LEU   63  11.09 +/- 0.65   0.023% *  0.2770% (0.90   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG    LEU   63  11.55 +/- 0.59   0.015% *  0.1998% (0.65   0.02   0.02) =   0.000%
          HG    LEU   98 - HG    LEU   63  14.12 +/- 1.10   0.006% *  0.2473% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG    LEU   63  14.78 +/- 0.82   0.004% *  0.1749% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG    LEU   63  15.17 +/- 0.77   0.003% *  0.2580% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG    LEU   63  12.91 +/- 0.47   0.009% *  0.0477% (0.15   0.02   0.02) =   0.000%
          QB    ALA   84 - HG    LEU   63  16.33 +/- 0.46   0.002% *  0.2122% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG    LEU   63  19.91 +/- 0.85   0.001% *  0.2770% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG    LEU   63  20.65 +/- 1.40   0.001% *  0.3027% (0.98   0.02   0.02) =   0.000%
          QB    ALA   88 - HG    LEU   63  16.25 +/- 0.80   0.002% *  0.0541% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG    LEU   63  21.21 +/- 1.03   0.000% *  0.1385% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 245.2:
    * O T HB3   LEU   63 - HG    LEU   63   2.93 +/- 0.17  95.836% * 99.1466% (1.00   6.00 245.20) =  99.994%  kept
          QD1   LEU  123 - HG    LEU   63   5.48 +/- 1.01   3.490% *  0.1127% (0.34   0.02   0.02) =   0.004%
          QG1   VAL   70 - HG    LEU   63   7.32 +/- 0.90   0.511% *  0.1871% (0.57   0.02   0.02) =   0.001%
          QG1   VAL   18 - HG    LEU   63   9.01 +/- 0.63   0.134% *  0.2270% (0.69   0.02   0.02) =   0.000%
          QG1   VAL  108 - HG    LEU   63  13.33 +/- 0.40   0.012% *  0.2138% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU   63  12.63 +/- 1.08   0.018% *  0.1127% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 0.845, support = 5.67, residual support = 245.2:
    * O T QD1   LEU   63 - HG    LEU   63   2.09 +/- 0.01  50.508% * 63.1200% (1.00   5.65 245.20) =  64.254%  kept
      O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.02  49.092% * 36.1258% (0.57   5.71 245.20) =  35.744%  kept
          QD2   LEU  115 - HG    LEU   63   5.15 +/- 1.01   0.394% *  0.1865% (0.84   0.02   0.02) =   0.001%
        T QD1   LEU  104 - HG    LEU   63  10.07 +/- 0.76   0.005% *  0.1264% (0.57   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  12.46 +/- 0.71   0.001% *  0.2233% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  17.19 +/- 0.62   0.000% *  0.1788% (0.80   0.02   0.02) =   0.000%
        T QG1   VAL   83 - HG    LEU   63  18.60 +/- 0.84   0.000% *  0.0391% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.44 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 = 0.841, support = 5.69, residual support = 245.2:
    * O T QD2   LEU   63 - HG    LEU   63   2.10 +/- 0.02  49.091% * 63.7481% (1.00   5.71 245.20) =  63.444%  kept
      O T QD1   LEU   63 - HG    LEU   63   2.09 +/- 0.01  50.507% * 35.7015% (0.57   5.65 245.20) =  36.556%  kept
          QD2   LEU  115 - HG    LEU   63   5.15 +/- 1.01   0.394% *  0.0556% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   41 - HG    LEU   63  10.89 +/- 0.80   0.003% *  0.1353% (0.61   0.02   0.02) =   0.000%
          QD2   LEU   98 - HG    LEU   63  10.83 +/- 0.82   0.003% *  0.0917% (0.41   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU   63  12.46 +/- 0.71   0.001% *  0.1263% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   80 - HG    LEU   63  17.92 +/- 1.59   0.000% *  0.0917% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   63  17.19 +/- 0.62   0.000% *  0.0497% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.44 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 = 245.2:
    *   T HA    LEU   63 - QD1   LEU   63   3.81 +/- 0.10  97.088% * 98.6772% (1.00   5.67 245.20) =  99.998%  kept
          HA2   GLY  101 - QD1   LEU  104   7.84 +/- 1.10   2.175% *  0.0320% (0.09   0.02   0.02) =   0.001%
          HB2   HIS   22 - QD1   LEU   73  10.60 +/- 0.37   0.215% *  0.2658% (0.76   0.02   0.02) =   0.001%
        T HA    LEU   63 - QD1   LEU   73  12.53 +/- 0.30   0.077% *  0.3479% (1.00   0.02   0.02) =   0.000%
        T HA    LEU   63 - QD1   LEU  104  10.36 +/- 0.40   0.250% *  0.0851% (0.24   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   73  11.52 +/- 1.23   0.157% *  0.1306% (0.38   0.02   0.02) =   0.000%
          HA2   GLY  101 - QD1   LEU   63  14.96 +/- 0.49   0.027% *  0.1306% (0.38   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU   63  17.91 +/- 0.50   0.009% *  0.2658% (0.76   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   LEU  104  22.48 +/- 0.76   0.002% *  0.0651% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.01 A, kept.
 
    Peak 664 (1.34, 0.58, 26.34 ppm):
    39 chemical-shift based assignments, quality = 1.0, support = 6.24, residual support = 245.2:
    * O T HB2   LEU   63 - QD1   LEU   63   2.26 +/- 0.19  93.003% * 94.1554% (1.00   6.24 245.20) =  99.990%  kept
          HB2   LEU   31 - QD1   LEU   73   4.86 +/- 0.46   1.318% *  0.2708% (0.90   0.02   3.24) =   0.004%
          HB3   ASP-  44 - QD1   LEU   63   5.27 +/- 0.49   0.708% *  0.2960% (0.98   0.02   0.02) =   0.002%
          HG2   LYS+  99 - QD1   LEU  104   3.88 +/- 0.28   4.380% *  0.0418% (0.14   0.02  18.76) =   0.002%
          HG    LEU   98 - QD1   LEU   73   7.51 +/- 0.88   0.091% *  0.2418% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU   73   8.24 +/- 0.56   0.054% *  0.2960% (0.98   0.02   6.65) =   0.000%
        T HB3   LEU   80 - QD1   LEU   73   8.75 +/- 0.60   0.034% *  0.2960% (0.98   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   8.27 +/- 0.37   0.041% *  0.1953% (0.65   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU  104   7.38 +/- 0.80   0.106% *  0.0592% (0.20   0.02   4.66) =   0.000%
          QB    ALA   84 - QD1   LEU   73   8.88 +/- 0.42   0.030% *  0.2074% (0.69   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU   63  10.04 +/- 0.84   0.017% *  0.2418% (0.80   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  10.20 +/- 0.43   0.012% *  0.2708% (0.90   0.02   0.02) =   0.000%
        T HB2   LEU   63 - QD1   LEU   73  11.03 +/- 0.37   0.007% *  0.3020% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   73  10.88 +/- 0.55   0.009% *  0.1710% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   63  11.49 +/- 0.51   0.006% *  0.2522% (0.84   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104   9.58 +/- 0.70   0.019% *  0.0663% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   9.00 +/- 0.38   0.027% *  0.0466% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD1   LEU   63  11.50 +/- 0.59   0.007% *  0.1710% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   73  11.23 +/- 0.28   0.007% *  0.1354% (0.45   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  12.09 +/- 0.34   0.004% *  0.2074% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.66 +/- 0.35   0.067% *  0.0114% (0.04   0.02   0.02) =   0.000%
        T HB2   LEU   63 - QD1   LEU  104  10.57 +/- 0.55   0.009% *  0.0739% (0.24   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  13.35 +/- 0.57   0.003% *  0.1953% (0.65   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   73  11.32 +/- 0.51   0.007% *  0.0529% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU   63  15.24 +/- 0.62   0.001% *  0.2708% (0.90   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU   63  15.57 +/- 1.12   0.001% *  0.2960% (0.98   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD1   LEU  104  12.11 +/- 0.79   0.004% *  0.0725% (0.24   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU  104  10.84 +/- 0.52   0.009% *  0.0331% (0.11   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU   63  11.89 +/- 0.66   0.005% *  0.0529% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  12.63 +/- 1.01   0.004% *  0.0466% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  16.99 +/- 0.77   0.001% *  0.2708% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD1   LEU  104  13.86 +/- 0.76   0.002% *  0.0663% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD1   LEU   63  16.90 +/- 0.68   0.001% *  0.1354% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU   73  19.07 +/- 0.51   0.000% *  0.2522% (0.84   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  14.75 +/- 0.40   0.001% *  0.0508% (0.17   0.02   0.02) =   0.000%
          QB    ALA   88 - QD1   LEU  104  12.40 +/- 0.64   0.004% *  0.0129% (0.04   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.63 +/- 0.50   0.001% *  0.0478% (0.16   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD1   LEU  104  16.86 +/- 0.46   0.001% *  0.0617% (0.20   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD1   LEU  104  18.49 +/- 1.09   0.000% *  0.0725% (0.24   0.02   0.02) =   0.000%
    Distance limit 2.69 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 = 245.2:
    * O T HB3   LEU   63 - QD1   LEU   63   2.43 +/- 0.18  87.623% * 97.6820% (1.00   5.93 245.20) =  99.983%  kept
          QD1   LEU   71 - QD1   LEU   73   3.91 +/- 0.71   9.500% *  0.1123% (0.34   0.02   0.02) =   0.012%
          QD1   LEU  123 - QD1   LEU   63   5.62 +/- 0.68   0.817% *  0.1123% (0.34   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU   73   6.35 +/- 0.56   0.365% *  0.2261% (0.69   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU   63   6.15 +/- 0.53   0.380% *  0.1864% (0.57   0.02   0.02) =   0.001%
          QG1   VAL   18 - QD1   LEU   63   7.00 +/- 0.59   0.190% *  0.2261% (0.69   0.02   0.02) =   0.001%
          QG1   VAL   70 - QD1   LEU  104   5.42 +/- 0.45   0.868% *  0.0456% (0.14   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   8.63 +/- 0.12   0.047% *  0.1864% (0.57   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   63   9.70 +/- 0.36   0.025% *  0.2130% (0.65   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  10.65 +/- 0.58   0.014% *  0.3292% (1.00   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104   9.36 +/- 0.60   0.034% *  0.0806% (0.24   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63  10.00 +/- 0.92   0.020% *  0.1123% (0.34   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104   8.20 +/- 0.54   0.073% *  0.0275% (0.08   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU   73  13.13 +/- 0.74   0.004% *  0.2130% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   9.72 +/- 0.62   0.025% *  0.0275% (0.08   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  13.77 +/- 0.87   0.003% *  0.1123% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  12.48 +/- 0.83   0.006% *  0.0554% (0.17   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD1   LEU  104  12.95 +/- 0.53   0.004% *  0.0521% (0.16   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 245.2:
    * O T HG    LEU   63 - QD1   LEU   63   2.09 +/- 0.01  99.090% * 98.1004% (1.00   5.65 245.20) =  99.999%  kept
        T QG1   VAL  107 - QD1   LEU   63   4.80 +/- 0.41   0.780% *  0.0536% (0.15   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QD1   LEU   73   6.92 +/- 0.22   0.077% *  0.3350% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63   9.89 +/- 0.82   0.010% *  0.2653% (0.76   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU   73  12.46 +/- 0.71   0.002% *  0.3471% (1.00   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  10.07 +/- 0.76   0.009% *  0.0850% (0.24   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU  104   8.34 +/- 0.27   0.025% *  0.0131% (0.04   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QD1   LEU   63  15.09 +/- 0.44   0.001% *  0.3350% (0.97   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QD1   LEU   73  12.02 +/- 0.42   0.003% *  0.0536% (0.15   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QD1   LEU  104  15.59 +/- 0.65   0.001% *  0.0820% (0.24   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  19.51 +/- 0.51   0.000% *  0.2653% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  18.04 +/- 0.54   0.000% *  0.0649% (0.19   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 667 (0.58, 0.58, 26.34 ppm):
    3 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (1.00)  kept
    *     QD1   LEU   63 - QD1   LEU   63  (1.00)  kept
          QD1   LEU  104 - QD1   LEU  104  (0.14)  kept
 
    Peak 668 (0.57, 0.58, 26.34 ppm):
    2 diagonal assignments:
          QD1   LEU   73 - QD1   LEU   73  (0.57)  kept
          QD1   LEU   63 - QD1   LEU   63  (0.57)  kept
    Reference assignment not found: QD2   LEU   63 - QD1   LEU   63
 
    Peak 669 (3.50, 0.57, 23.00 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.74, residual support = 245.2:
    *   T HA    LEU   63 - QD2   LEU   63   2.32 +/- 0.24  99.998% * 99.6042% (1.00   5.74 245.20) = 100.000%  kept
          HA2   GLY  101 - QD2   LEU   63  15.38 +/- 1.01   0.001% *  0.1304% (0.38   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD2   LEU   63  19.64 +/- 0.64   0.000% *  0.2654% (0.76   0.02   0.02) =   0.000%
    Distance limit 2.78 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 = 6.28, residual support = 245.2:
    * O T HB2   LEU   63 - QD2   LEU   63   3.01 +/- 0.36  98.863% * 97.4956% (1.00   6.28 245.20) =  99.997%  kept
          HB3   ASP-  44 - QD2   LEU   63   7.47 +/- 0.59   0.511% *  0.3043% (0.98   0.02   0.02) =   0.002%
          QB    ALA  124 - QD2   LEU   63   8.45 +/- 0.70   0.301% *  0.2784% (0.90   0.02   0.02) =   0.001%
          HG    LEU   98 - QD2   LEU   63  11.15 +/- 0.97   0.059% *  0.2486% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   63  10.34 +/- 0.79   0.062% *  0.2008% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD2   LEU   63  11.26 +/- 1.09   0.056% *  0.1757% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD2   LEU   63  12.87 +/- 0.62   0.018% *  0.2593% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   63  10.04 +/- 0.44   0.091% *  0.0479% (0.15   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   63  13.88 +/- 0.47   0.012% *  0.2132% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD2   LEU   63  16.40 +/- 0.71   0.005% *  0.2784% (0.90   0.02   0.02) =   0.000%
        T HB3   LEU   80 - QD2   LEU   63  17.57 +/- 1.12   0.003% *  0.3043% (0.98   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU   63  13.40 +/- 0.69   0.016% *  0.0544% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD2   LEU   63  16.88 +/- 0.91   0.004% *  0.1392% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 5.98, residual support = 245.2:
    * O T HB3   LEU   63 - QD2   LEU   63   2.45 +/- 0.37  87.947% * 99.1436% (1.00   5.98 245.20) =  99.983%  kept
          QD1   LEU  123 - QD2   LEU   63   3.85 +/- 0.84  10.695% *  0.1131% (0.34   0.02   0.02) =   0.014%
          QG1   VAL   70 - QD2   LEU   63   5.34 +/- 0.90   1.181% *  0.1878% (0.57   0.02   0.02) =   0.003%
          QG1   VAL   18 - QD2   LEU   63   8.19 +/- 0.74   0.139% *  0.2278% (0.69   0.02   0.02) =   0.000%
          QG1   VAL  108 - QD2   LEU   63  11.21 +/- 0.36   0.016% *  0.2145% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU   63  10.34 +/- 0.80   0.022% *  0.1131% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.04 A, kept.
 
    Peak 672 (1.06, 0.57, 23.00 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 5.71, residual support = 245.2:
    * O T HG    LEU   63 - QD2   LEU   63   2.10 +/- 0.02  99.703% * 99.3451% (1.00   5.71 245.20) = 100.000%  kept
        T QG1   VAL  107 - QD2   LEU   63   5.73 +/- 0.50   0.289% *  0.0536% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU   63  10.75 +/- 1.15   0.007% *  0.2657% (0.76   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QD2   LEU   63  16.51 +/- 0.49   0.000% *  0.3355% (0.97   0.02   0.02) =   0.000%
    Distance limit 2.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 673 (0.58, 0.57, 23.00 ppm):
    1 diagonal assignment:
          QD2   LEU   63 - QD2   LEU   63  (0.57)  kept
    Reference assignment not found: QD1   LEU   63 - QD2   LEU   63
 
    Peak 674 (0.57, 0.57, 23.00 ppm):
    1 diagonal assignment:
    *     QD2   LEU   63 - QD2   LEU   63  (1.00)  kept
 
    Peak 675 (2.84, 2.84, 53.98 ppm):
    1 diagonal assignment:
    *     HA    ALA   64 - HA    ALA   64  (1.00)  kept
 
    Peak 676 (0.40, 2.84, 53.98 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 20.7:
    * O T QB    ALA   64 - HA    ALA   64   2.13 +/- 0.02 100.000% * 99.8252% (1.00   2.00  20.69) = 100.000%  kept
          QB    ALA   47 - HA    ALA   64  16.59 +/- 0.24   0.000% *  0.1748% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 0.936, support = 2.06, residual support = 22.7:
    * O T HA    ALA   64 - QB    ALA   64   2.13 +/- 0.02  80.791% * 67.2517% (1.00   2.00  20.69) =  89.683%  kept
        T HB2   PHE   72 - QB    ALA   64   2.81 +/- 0.37  19.209% * 32.5408% (0.38   2.58  40.22) =  10.317%  kept
          HB3   ASN   35 - QB    ALA   64  16.03 +/- 0.43   0.000% *  0.2076% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 678 (0.40, 0.40, 18.57 ppm):
    1 diagonal assignment:
    *     QB    ALA   64 - QB    ALA   64  (1.00)  kept
 
    Peak 679 (3.96, 3.96, 58.29 ppm):
    2 diagonal assignments:
    *     HA    LYS+  65 - HA    LYS+  65  (0.85)  kept
          HA    LYS+ 121 - HA    LYS+ 121  (0.06)  kept
 
    Peak 680 (1.80, 3.96, 58.29 ppm):
    16 chemical-shift based assignments, quality = 0.923, support = 6.3, residual support = 161.8:
    * O T QB    LYS+  65 - HA    LYS+  65   2.46 +/- 0.05  98.753% * 98.3621% (0.92   6.30 161.77) =  99.998%  kept
          QB    LYS+  66 - HA    LYS+  65   5.46 +/- 0.09   0.831% *  0.1768% (0.52   0.02  27.59) =   0.002%
          HB3   GLN   17 - HA    LYS+  65   6.57 +/- 0.88   0.374% *  0.1894% (0.56   0.02   0.02) =   0.001%
          HB2   LEU   71 - HA    LYS+  65  12.26 +/- 0.52   0.007% *  0.3117% (0.92   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 121  10.00 +/- 0.65   0.024% *  0.0200% (0.06   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  65  15.28 +/- 0.71   0.002% *  0.1172% (0.35   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+ 121  13.43 +/- 0.54   0.004% *  0.0346% (0.10   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  65  19.02 +/- 0.63   0.000% *  0.2609% (0.77   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HA    LYS+ 121  14.50 +/- 0.52   0.002% *  0.0352% (0.10   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  65  20.81 +/- 0.85   0.000% *  0.3062% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 121  18.15 +/- 0.47   0.001% *  0.0352% (0.10   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  65  21.00 +/- 0.60   0.000% *  0.0779% (0.23   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+ 121  15.21 +/- 0.79   0.002% *  0.0088% (0.03   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 121  18.82 +/- 0.37   0.000% *  0.0294% (0.09   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+ 121  17.03 +/- 0.54   0.001% *  0.0132% (0.04   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 121  22.01 +/- 0.66   0.000% *  0.0214% (0.06   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 0.843, support = 5.28, residual support = 168.0:
    * O T HG2   LYS+  65 - HA    LYS+  65   2.61 +/- 0.46  46.942% * 82.3318% (0.92   5.27 161.77) =  90.534%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.26 +/- 0.81  24.161% * 12.4435% (0.10   7.13 306.29) =   7.043%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.82 +/- 0.06  28.412% *  3.6370% (0.03   8.28 306.29) =   2.421%
        T QD    LYS+  66 - HA    LYS+  65   5.65 +/- 0.32   0.449% *  0.2267% (0.67   0.02  27.59) =   0.002%
          HB2   LYS+  74 - HA    LYS+  65  12.65 +/- 0.70   0.004% *  0.2607% (0.77   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.22 +/- 0.43   0.001% *  0.3094% (0.91   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.63 +/- 1.09   0.003% *  0.0695% (0.21   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HA    LYS+ 121  11.84 +/- 0.97   0.006% *  0.0256% (0.08   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  18.21 +/- 0.80   0.000% *  0.3094% (0.91   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  13.59 +/- 0.86   0.003% *  0.0482% (0.14   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  10.78 +/- 0.60   0.011% *  0.0088% (0.03   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.22 +/- 0.60   0.001% *  0.0778% (0.23   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  17.93 +/- 0.59   0.000% *  0.0778% (0.23   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  12.36 +/- 0.49   0.004% *  0.0078% (0.02   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.89 +/- 0.55   0.000% *  0.0352% (0.10   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.79 +/- 0.33   0.000% *  0.0547% (0.16   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.72 +/- 0.44   0.002% *  0.0062% (0.02   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.34 +/- 0.82   0.000% *  0.0294% (0.09   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.66 +/- 0.51   0.000% *  0.0349% (0.10   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  21.01 +/- 0.70   0.000% *  0.0054% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.01 A, kept.
 
    Peak 683 (1.38, 3.96, 58.29 ppm):
    28 chemical-shift based assignments, quality = 0.923, support = 5.27, residual support = 161.8:
    * O T HG3   LYS+  65 - HA    LYS+  65   3.13 +/- 0.64  57.187% * 96.6333% (0.92   5.27 161.77) =  99.993%  kept
        T HD3   LYS+ 121 - HA    LYS+ 121   3.60 +/- 0.81  42.671% *  0.0082% (0.02   0.02 306.29) =   0.006%
          HB    VAL   42 - HA    LYS+  65  10.38 +/- 0.50   0.047% *  0.3664% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  14.13 +/- 0.56   0.008% *  0.3632% (0.91   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  14.78 +/- 1.57   0.008% *  0.2661% (0.67   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+  65  12.77 +/- 0.79   0.015% *  0.0816% (0.21   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  17.01 +/- 1.23   0.003% *  0.3632% (0.91   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+ 121  11.84 +/- 0.70   0.018% *  0.0359% (0.09   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 121  13.35 +/- 0.49   0.010% *  0.0413% (0.10   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.84 +/- 0.50   0.002% *  0.1643% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+  65  19.42 +/- 0.51   0.001% *  0.3466% (0.87   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HA    LYS+  65  20.24 +/- 0.61   0.001% *  0.3178% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+  65  17.30 +/- 0.43   0.002% *  0.1131% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 121  15.83 +/- 0.42   0.004% *  0.0391% (0.10   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  18.07 +/- 1.14   0.002% *  0.0725% (0.18   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 121  14.02 +/- 0.42   0.007% *  0.0185% (0.05   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+  65  18.75 +/- 0.64   0.001% *  0.0725% (0.18   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  65  19.69 +/- 0.34   0.001% *  0.1019% (0.26   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+  65  24.72 +/- 1.13   0.000% *  0.3591% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HA    LYS+ 121  17.10 +/- 1.28   0.002% *  0.0405% (0.10   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  18.09 +/- 0.58   0.002% *  0.0413% (0.10   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 121  15.87 +/- 0.99   0.004% *  0.0082% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  21.31 +/- 0.25   0.001% *  0.0410% (0.10   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 121  17.87 +/- 0.23   0.002% *  0.0128% (0.03   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  23.75 +/- 1.26   0.000% *  0.0410% (0.10   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 121  20.83 +/- 0.32   0.001% *  0.0115% (0.03   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  26.31 +/- 1.27   0.000% *  0.0300% (0.08   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  21.93 +/- 0.58   0.001% *  0.0092% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.05 A, kept.
 
    Peak 684 (1.66, 3.96, 58.29 ppm):
    22 chemical-shift based assignments, quality = 0.769, support = 5.42, residual support = 189.0:
    *   T QD    LYS+  65 - HA    LYS+  65   3.03 +/- 0.48  45.062% * 81.7828% (0.92   4.75 161.77) =  81.155%  kept
      O T HB2   LYS+ 121 - HA    LYS+ 121   2.89 +/- 0.05  53.049% * 16.1307% (0.10   8.32 306.29) =  18.844%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.29 +/- 0.89   1.845% *  0.0133% (0.04   0.02   2.42) =   0.001%
          QB    ALA   57 - HA    LYS+  65  10.90 +/- 0.26   0.018% *  0.0958% (0.26   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  13.35 +/- 1.01   0.006% *  0.1950% (0.52   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HA    LYS+  65  16.00 +/- 0.65   0.002% *  0.3437% (0.92   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  13.90 +/- 1.01   0.005% *  0.1175% (0.31   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  20.36 +/- 0.65   0.000% *  0.3180% (0.85   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  18.97 +/- 0.51   0.001% *  0.1293% (0.35   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 121  15.21 +/- 1.00   0.003% *  0.0220% (0.06   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  23.83 +/- 0.37   0.000% *  0.3414% (0.91   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 121  16.89 +/- 0.55   0.001% *  0.0389% (0.10   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  23.14 +/- 0.81   0.000% *  0.1950% (0.52   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  19.42 +/- 0.73   0.001% *  0.0359% (0.10   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.94 +/- 0.33   0.001% *  0.0108% (0.03   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  24.07 +/- 0.75   0.000% *  0.0859% (0.23   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  17.02 +/- 0.52   0.001% *  0.0097% (0.03   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+  65  23.21 +/- 0.70   0.000% *  0.0532% (0.14   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  20.50 +/- 0.67   0.000% *  0.0220% (0.06   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 121  16.67 +/- 0.89   0.001% *  0.0060% (0.02   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  20.16 +/- 0.29   0.000% *  0.0146% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  26.49 +/- 0.35   0.000% *  0.0385% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 685 (2.93, 3.96, 58.29 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 161.8:
    *   T QE    LYS+  65 - HA    LYS+  65   4.01 +/- 0.70  99.909% * 98.2190% (0.92   4.75 161.77) = 100.000%  kept
        T QE    LYS+  33 - HA    LYS+  65  15.37 +/- 2.04   0.047% *  0.3710% (0.83   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HA    LYS+  65  21.37 +/- 0.75   0.006% *  0.2509% (0.56   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HA    LYS+  65  23.47 +/- 0.58   0.003% *  0.3993% (0.89   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HA    LYS+ 121  17.67 +/- 0.81   0.019% *  0.0467% (0.10   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+  65  25.99 +/- 0.42   0.002% *  0.3819% (0.85   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+  65  24.37 +/- 0.52   0.003% *  0.1553% (0.35   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LYS+ 121  22.50 +/- 1.32   0.004% *  0.0419% (0.09   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HA    LYS+ 121  25.36 +/- 0.47   0.002% *  0.0431% (0.10   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 121  23.81 +/- 0.59   0.003% *  0.0283% (0.06   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LYS+ 121  28.78 +/- 0.62   0.001% *  0.0451% (0.10   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LYS+ 121  30.04 +/- 0.46   0.001% *  0.0175% (0.04   0.02   0.02) =   0.000%
    Distance limit 5.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 686 (3.96, 1.80, 33.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 6.3, residual support = 161.8:
    * O T HA    LYS+  65 - QB    LYS+  65   2.46 +/- 0.05  99.853% * 97.8776% (0.92   6.30 161.77) = 100.000%  kept
          HA2   GLY   16 - QB    LYS+  65   7.59 +/- 0.55   0.130% *  0.3249% (0.97   0.02   0.02) =   0.000%
          HA    ALA  120 - QB    LYS+  65  11.64 +/- 0.67   0.009% *  0.3185% (0.95   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QB    LYS+  65  14.50 +/- 0.52   0.002% *  0.1906% (0.57   0.02   0.02) =   0.000%
          QB    SER  117 - QB    LYS+  65  14.58 +/- 0.41   0.002% *  0.0840% (0.25   0.02   0.02) =   0.000%
          HB    THR   94 - QB    LYS+  65  17.30 +/- 0.30   0.001% *  0.2178% (0.65   0.02   0.02) =   0.000%
          QB    SER   48 - QB    LYS+  65  19.25 +/- 0.42   0.000% *  0.2573% (0.76   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    LYS+  65  18.08 +/- 0.36   0.001% *  0.1639% (0.49   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    LYS+  65  17.64 +/- 0.27   0.001% *  0.1148% (0.34   0.02   0.02) =   0.000%
          QB    SER   85 - QB    LYS+  65  23.12 +/- 0.30   0.000% *  0.3249% (0.97   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    LYS+  65  21.46 +/- 0.50   0.000% *  0.0666% (0.20   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    LYS+  65  24.06 +/- 0.49   0.000% *  0.0590% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 687 (1.80, 1.80, 33.13 ppm):
    1 diagonal assignment:
    *     QB    LYS+  65 - QB    LYS+  65  (1.00)  kept
 
    Peak 689 (1.50, 1.80, 33.13 ppm):
    10 chemical-shift based assignments, quality = 0.986, support = 5.59, residual support = 155.0:
    * O T HG2   LYS+  65 - QB    LYS+  65   2.45 +/- 0.14  92.795% * 58.7424% (1.00   5.60 161.77) =  94.943%  kept
        T QD    LYS+  66 - QB    LYS+  65   3.98 +/- 0.41   7.178% * 40.4467% (0.73   5.31  27.59) =   5.057%  kept
          HB2   LYS+  74 - QB    LYS+  65  11.83 +/- 0.63   0.008% *  0.1751% (0.84   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  65  14.79 +/- 0.35   0.002% *  0.2078% (0.99   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QB    LYS+  65  15.80 +/- 0.64   0.001% *  0.2078% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  65  12.12 +/- 0.79   0.007% *  0.0323% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   40 - QB    LYS+  65  13.40 +/- 0.86   0.004% *  0.0467% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  65  13.99 +/- 0.52   0.003% *  0.0523% (0.25   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  65  16.71 +/- 0.45   0.001% *  0.0523% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  65  17.30 +/- 0.43   0.001% *  0.0367% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.63 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 = 5.08, residual support = 161.8:
    * O T QD    LYS+  65 - QB    LYS+  65   2.07 +/- 0.11  99.969% * 97.9032% (1.00   5.08 161.77) = 100.000%  kept
          QB    ALA   57 - QB    LYS+  65   8.57 +/- 0.20   0.021% *  0.1071% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QB    LYS+  65  12.10 +/- 0.98   0.003% *  0.2181% (0.57   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+  65  11.53 +/- 0.88   0.005% *  0.1314% (0.34   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+  65  13.81 +/- 0.54   0.001% *  0.3844% (1.00   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+  65  15.90 +/- 0.43   0.001% *  0.1446% (0.38   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QB    LYS+  65  19.74 +/- 0.44   0.000% *  0.3557% (0.92   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+  65  22.06 +/- 0.29   0.000% *  0.3819% (0.99   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QB    LYS+  65  21.35 +/- 0.63   0.000% *  0.2181% (0.57   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QB    LYS+  65  20.08 +/- 0.70   0.000% *  0.0961% (0.25   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+  65  19.24 +/- 0.71   0.000% *  0.0594% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.78 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 = 5.08, residual support = 161.8:
    *   T QE    LYS+  65 - QB    LYS+  65   3.19 +/- 0.42  99.985% * 98.5393% (1.00   5.08 161.77) = 100.000%  kept
        T QE    LYS+  33 - QB    LYS+  65  15.62 +/- 1.76   0.011% *  0.3478% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+  65  20.88 +/- 0.57   0.002% *  0.2352% (0.61   0.02   0.02) =   0.000%
          HB2   ASN   28 - QB    LYS+  65  22.51 +/- 0.45   0.001% *  0.3742% (0.97   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QB    LYS+  65  23.92 +/- 0.30   0.001% *  0.3580% (0.92   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QB    LYS+  65  21.84 +/- 0.41   0.001% *  0.1455% (0.38   0.02   0.02) =   0.000%
    Distance limit 5.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 700 (3.96, 1.50, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.923, support = 5.27, residual support = 161.8:
    * O T HA    LYS+  65 - HG2   LYS+  65   2.61 +/- 0.46  99.708% * 97.4762% (0.92   5.27 161.77) =  99.999%  kept
          HA2   GLY   16 - HG2   LYS+  65   7.41 +/- 1.01   0.279% *  0.3864% (0.97   0.02   0.02) =   0.001%
        T HA    ALA  120 - HG2   LYS+  65  15.01 +/- 0.66   0.005% *  0.3787% (0.95   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG2   LYS+  65  17.89 +/- 0.55   0.002% *  0.2267% (0.57   0.02   0.02) =   0.000%
          HB    THR   94 - HG2   LYS+  65  18.85 +/- 0.72   0.001% *  0.2590% (0.65   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+  65  20.15 +/- 0.72   0.001% *  0.3060% (0.76   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+  65  19.41 +/- 0.74   0.001% *  0.1949% (0.49   0.02   0.02) =   0.000%
          QB    SER  117 - HG2   LYS+  65  17.59 +/- 0.46   0.002% *  0.0998% (0.25   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG2   LYS+  65  18.94 +/- 0.81   0.001% *  0.1366% (0.34   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+  65  24.88 +/- 0.73   0.000% *  0.3864% (0.97   0.02   0.02) =   0.000%
          HA    GLN   32 - HG2   LYS+  65  22.83 +/- 0.92   0.000% *  0.0792% (0.20   0.02   0.02) =   0.000%
          HA    ALA   88 - HG2   LYS+  65  26.28 +/- 0.99   0.000% *  0.0701% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 5.6, residual support = 161.8:
    * O T QB    LYS+  65 - HG2   LYS+  65   2.45 +/- 0.14  99.262% * 98.3813% (1.00   5.60 161.77) =  99.998%  kept
          HB3   GLN   17 - HG2   LYS+  65   6.44 +/- 0.92   0.461% *  0.2129% (0.61   0.02   0.02) =   0.001%
        T QB    LYS+  66 - HG2   LYS+  65   6.62 +/- 0.16   0.271% *  0.1988% (0.57   0.02  27.59) =   0.001%
          HB2   LEU   71 - HG2   LYS+  65  13.40 +/- 0.80   0.004% *  0.3503% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+  65  17.57 +/- 1.13   0.001% *  0.2932% (0.84   0.02   0.02) =   0.000%
          HB    VAL   41 - HG2   LYS+  65  16.11 +/- 0.64   0.001% *  0.1318% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG2   LYS+  65  21.84 +/- 0.84   0.000% *  0.3441% (0.98   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG2   LYS+  65  21.58 +/- 0.70   0.000% *  0.0875% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 703 (1.50, 1.50, 25.13 ppm):
    1 diagonal assignment:
    *     HG2   LYS+  65 - HG2   LYS+  65  (1.00)  kept
 
    Peak 705 (1.66, 1.50, 25.13 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 161.8:
    * O T QD    LYS+  65 - HG2   LYS+  65   2.28 +/- 0.11  99.962% * 97.6061% (1.00   4.44 161.77) = 100.000%  kept
          QB    ALA   57 - HG2   LYS+  65   9.06 +/- 0.67   0.029% *  0.1223% (0.28   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+  65  12.04 +/- 1.01   0.006% *  0.2490% (0.57   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HG2   LYS+  65  16.82 +/- 0.67   0.001% *  0.4389% (1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  65  15.00 +/- 1.02   0.001% *  0.1500% (0.34   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  65  17.36 +/- 1.04   0.001% *  0.1651% (0.38   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  65  21.96 +/- 0.74   0.000% *  0.4060% (0.92   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  65  23.26 +/- 0.70   0.000% *  0.4360% (0.99   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  65  24.14 +/- 0.79   0.000% *  0.2490% (0.57   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  65  23.14 +/- 1.16   0.000% *  0.1097% (0.25   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  65  22.24 +/- 1.09   0.000% *  0.0679% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 706 (2.93, 1.50, 25.13 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 161.8:
    * O T QE    LYS+  65 - HG2   LYS+  65   2.72 +/- 0.25  99.996% * 98.3308% (1.00   4.44 161.77) = 100.000%  kept
        T QE    LYS+  33 - HG2   LYS+  65  16.27 +/- 1.98   0.003% *  0.3974% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+  65  23.53 +/- 0.94   0.000% *  0.4276% (0.97   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+  65  22.41 +/- 0.97   0.000% *  0.2688% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  65  25.71 +/- 0.72   0.000% *  0.4091% (0.92   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  65  22.76 +/- 0.87   0.000% *  0.1663% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 707 (3.96, 1.66, 29.54 ppm):
    60 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 161.8:
    *   T HA    LYS+  65 - QD    LYS+  65   3.03 +/- 0.48  97.983% * 94.6666% (0.92   4.75 161.77) =  99.995%  kept
          HA2   GLY   16 - QD    LYS+  65   6.95 +/- 1.14   1.089% *  0.4169% (0.97   0.02   0.02) =   0.005%
          HA    ALA  120 - QD    LYS+  65  14.02 +/- 0.79   0.016% *  0.4086% (0.95   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+ 111   8.87 +/- 0.68   0.226% *  0.0267% (0.06   0.02   0.02) =   0.000%
          QB    SER  117 - HD2   LYS+ 111   8.55 +/- 1.10   0.326% *  0.0165% (0.04   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+ 111  12.61 +/- 0.91   0.035% *  0.0692% (0.16   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  38   9.81 +/- 0.44   0.120% *  0.0156% (0.04   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 111  12.80 +/- 0.96   0.033% *  0.0428% (0.10   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+  65  16.89 +/- 0.55   0.005% *  0.2446% (0.57   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  65  19.29 +/- 0.90   0.003% *  0.3301% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  65  18.73 +/- 0.73   0.003% *  0.2794% (0.65   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  65  18.46 +/- 0.88   0.004% *  0.2103% (0.49   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD3   LYS+ 111  13.93 +/- 1.07   0.018% *  0.0365% (0.08   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+ 102  15.21 +/- 1.00   0.010% *  0.0618% (0.14   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  65  16.67 +/- 0.55   0.006% *  0.1077% (0.25   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  65  18.33 +/- 0.89   0.004% *  0.1473% (0.34   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+ 111  16.77 +/- 0.46   0.005% *  0.1012% (0.23   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+ 102  17.30 +/- 1.06   0.004% *  0.1054% (0.24   0.02   0.02) =   0.000%
          HD2   PRO   52 - HD2   LYS+ 111  13.54 +/- 0.94   0.019% *  0.0226% (0.05   0.02   0.02) =   0.000%
          HA    ALA  120 - HD2   LYS+ 111  16.08 +/- 0.94   0.006% *  0.0626% (0.14   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 111  16.20 +/- 0.95   0.007% *  0.0521% (0.12   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+ 102  16.87 +/- 0.70   0.005% *  0.0706% (0.16   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  38  17.94 +/- 1.75   0.004% *  0.0762% (0.18   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+ 111  17.02 +/- 0.52   0.004% *  0.0605% (0.14   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+ 102  18.93 +/- 0.86   0.002% *  0.1033% (0.24   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 111  15.62 +/- 0.80   0.008% *  0.0322% (0.07   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  65  23.94 +/- 0.78   0.001% *  0.4169% (0.97   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 111  19.66 +/- 1.11   0.002% *  0.1032% (0.24   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD2   LYS+ 111  16.67 +/- 0.89   0.005% *  0.0375% (0.09   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 111  19.42 +/- 1.23   0.002% *  0.0817% (0.19   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+ 102  16.03 +/- 0.58   0.006% *  0.0272% (0.06   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+ 102  15.58 +/- 0.85   0.007% *  0.0216% (0.05   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+ 102  15.93 +/- 1.36   0.007% *  0.0191% (0.04   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 111  19.26 +/- 1.17   0.002% *  0.0506% (0.12   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 111  20.15 +/- 1.25   0.002% *  0.0639% (0.15   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+  38  20.36 +/- 0.65   0.002% *  0.0728% (0.17   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+  38  19.42 +/- 0.73   0.002% *  0.0447% (0.10   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  38  21.67 +/- 0.74   0.001% *  0.0762% (0.18   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    LYS+  38  21.82 +/- 0.75   0.001% *  0.0746% (0.17   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    LYS+  65  21.88 +/- 1.19   0.001% *  0.0855% (0.20   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   LYS+ 111  17.45 +/- 1.03   0.004% *  0.0187% (0.04   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+ 102  23.19 +/- 1.30   0.001% *  0.1054% (0.24   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD    LYS+ 102  23.14 +/- 0.81   0.001% *  0.1008% (0.23   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+ 111  24.07 +/- 0.75   0.001% *  0.0987% (0.23   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  38  22.05 +/- 0.47   0.001% *  0.0510% (0.12   0.02   0.02) =   0.000%
          HA    ALA   88 - HD2   LYS+ 111  18.13 +/- 1.26   0.004% *  0.0116% (0.03   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 111  23.21 +/- 0.70   0.001% *  0.0611% (0.14   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  65  25.41 +/- 0.91   0.000% *  0.0757% (0.18   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+ 102  25.55 +/- 0.77   0.000% *  0.0834% (0.19   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 111  28.49 +/- 0.82   0.000% *  0.1032% (0.24   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  38  21.71 +/- 0.33   0.001% *  0.0197% (0.05   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 111  27.77 +/- 0.66   0.000% *  0.0639% (0.15   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  38  27.57 +/- 0.54   0.000% *  0.0603% (0.14   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+ 102  26.29 +/- 0.62   0.000% *  0.0372% (0.09   0.02   0.02) =   0.000%
          HA    ALA   88 - QD    LYS+  38  22.82 +/- 0.91   0.001% *  0.0138% (0.03   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+ 102  29.46 +/- 0.52   0.000% *  0.0531% (0.12   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD    LYS+  38  30.00 +/- 0.35   0.000% *  0.0269% (0.06   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  38  32.60 +/- 0.35   0.000% *  0.0384% (0.09   0.02   0.02) =   0.000%
        T HA    GLN   32 - HD3   LYS+ 111  31.83 +/- 0.93   0.000% *  0.0212% (0.05   0.02   0.02) =   0.000%
          HA    GLN   32 - HD2   LYS+ 111  31.83 +/- 0.88   0.000% *  0.0131% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 1 structures by 0.02 A, kept.
 
    Peak 708 (1.80, 1.66, 29.54 ppm):
    40 chemical-shift based assignments, quality = 0.85, support = 5.02, residual support = 161.4:
    * O T QB    LYS+  65 - QD    LYS+  65   2.07 +/- 0.11  47.936% * 78.9220% (1.00   5.08 161.77) =  80.018%  kept
      O T QB    LYS+ 102 - QD    LYS+ 102   2.06 +/- 0.25  51.718% * 18.2660% (0.25   4.75 160.03) =  19.981%  kept
          HB3   GLN   17 - QD    LYS+  65   6.37 +/- 1.47   0.217% *  0.1884% (0.61   0.02   0.02) =   0.001%
          QB    LYS+  66 - QD    LYS+  65   6.46 +/- 0.25   0.051% *  0.1758% (0.57   0.02  27.59) =   0.000%
          HG12  ILE  103 - QD    LYS+ 102   6.92 +/- 0.49   0.045% *  0.0196% (0.06   0.02  22.69) =   0.000%
          HG2   PRO   93 - HD3   LYS+ 111   9.14 +/- 0.80   0.009% *  0.0642% (0.21   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  38   9.63 +/- 1.48   0.007% *  0.0556% (0.18   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD2   LYS+ 111   8.82 +/- 0.59   0.009% *  0.0397% (0.13   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.45 +/- 0.99   0.001% *  0.3099% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  38  11.09 +/- 0.55   0.002% *  0.0566% (0.18   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  38  10.72 +/- 0.40   0.003% *  0.0213% (0.07   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102  12.16 +/- 1.15   0.001% *  0.0295% (0.09   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  17.27 +/- 0.95   0.000% *  0.2594% (0.84   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  16.12 +/- 0.75   0.000% *  0.1166% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  15.56 +/- 0.89   0.000% *  0.0783% (0.25   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  20.88 +/- 0.72   0.000% *  0.3044% (0.98   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  38  13.48 +/- 0.83   0.001% *  0.0141% (0.05   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  18.32 +/- 0.80   0.000% *  0.0444% (0.14   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD3   LYS+ 111  20.08 +/- 0.70   0.000% *  0.0769% (0.25   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+  38  17.58 +/- 0.41   0.000% *  0.0321% (0.10   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   LYS+ 111  18.66 +/- 0.57   0.000% *  0.0435% (0.14   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+  38  19.74 +/- 0.44   0.000% *  0.0567% (0.18   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.24 +/- 0.71   0.000% *  0.0476% (0.15   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   LYS+ 111  20.90 +/- 0.80   0.000% *  0.0754% (0.24   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  21.07 +/- 0.67   0.000% *  0.0774% (0.25   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  17.92 +/- 0.63   0.000% *  0.0269% (0.09   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  21.35 +/- 0.63   0.000% *  0.0785% (0.25   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  22.01 +/- 0.60   0.000% *  0.0656% (0.21   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+  38  20.32 +/- 1.11   0.000% *  0.0344% (0.11   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  21.20 +/- 0.90   0.000% *  0.0466% (0.15   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   LYS+ 111  19.48 +/- 0.88   0.000% *  0.0192% (0.06   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   LYS+ 111  25.96 +/- 0.88   0.000% *  0.0767% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  24.56 +/- 0.77   0.000% *  0.0476% (0.15   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  19.80 +/- 1.02   0.000% *  0.0119% (0.04   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   LYS+ 111  23.50 +/- 0.89   0.000% *  0.0289% (0.09   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  25.65 +/- 0.86   0.000% *  0.0475% (0.15   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  38  26.78 +/- 0.35   0.000% *  0.0474% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   LYS+ 111  27.27 +/- 1.15   0.000% *  0.0466% (0.15   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  23.40 +/- 0.76   0.000% *  0.0179% (0.06   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  26.53 +/- 0.83   0.000% *  0.0289% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 710 (1.50, 1.66, 29.54 ppm):
    50 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 161.8:
    * O T HG2   LYS+  65 - QD    LYS+  65   2.28 +/- 0.11  88.670% * 95.9890% (1.00   4.44 161.77) =  99.996%  kept
        T QD    LYS+  66 - QD    LYS+  65   5.61 +/- 0.60   0.486% *  0.3141% (0.73   0.02  27.59) =   0.002%
      O   HB3   LYS+ 111 - HD3   LYS+ 111   3.78 +/- 0.11   4.488% *  0.0188% (0.04   0.02 313.41) =   0.001%
      O   HB3   LYS+ 111 - HD2   LYS+ 111   3.62 +/- 0.31   6.199% *  0.0116% (0.03   0.02 313.41) =   0.001%
          HG    LEU  104 - QD    LYS+ 102   7.40 +/- 0.76   0.102% *  0.0273% (0.06   0.02   0.38) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  65  12.02 +/- 0.47   0.004% *  0.3613% (0.84   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  65  14.54 +/- 0.96   0.002% *  0.4287% (0.99   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  65  12.53 +/- 1.27   0.004% *  0.0667% (0.15   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+ 102  13.59 +/- 1.57   0.003% *  0.1084% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  38   9.96 +/- 0.52   0.014% *  0.0176% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+ 102  11.58 +/- 1.38   0.007% *  0.0243% (0.06   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  65  18.15 +/- 0.64   0.000% *  0.4287% (0.99   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  38  11.31 +/- 0.47   0.006% *  0.0197% (0.05   0.02   0.02) =   0.000%
          HB3   LEU   40 - QD    LYS+  65  14.96 +/- 0.99   0.001% *  0.0963% (0.22   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD3   LYS+ 111  16.09 +/- 2.06   0.001% *  0.1061% (0.25   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  65  16.39 +/- 0.51   0.001% *  0.1079% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HD2   LYS+ 111  15.90 +/- 1.95   0.001% *  0.0657% (0.15   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+  38  15.72 +/- 0.40   0.001% *  0.0783% (0.18   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+ 102  14.04 +/- 0.84   0.002% *  0.0273% (0.06   0.02   0.02) =   0.000%
          QG2   THR   26 - QD    LYS+ 102  18.29 +/- 0.65   0.000% *  0.1084% (0.25   0.02   0.02) =   0.000%
          HG    LEU  104 - QD    LYS+  65  18.59 +/- 0.55   0.000% *  0.1079% (0.25   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HD3   LYS+ 111  15.37 +/- 0.82   0.001% *  0.0267% (0.06   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  18.92 +/- 1.67   0.000% *  0.0783% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  65  19.22 +/- 0.78   0.000% *  0.0758% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HD2   LYS+ 111  15.08 +/- 1.15   0.001% *  0.0165% (0.04   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HD3   LYS+ 111  20.09 +/- 0.88   0.000% *  0.0778% (0.18   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HD3   LYS+ 111  20.97 +/- 1.08   0.000% *  0.0894% (0.21   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+ 102  20.74 +/- 0.90   0.000% *  0.0794% (0.18   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD    LYS+  38  19.59 +/- 0.45   0.000% *  0.0574% (0.13   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD2   LYS+ 111  19.24 +/- 1.05   0.000% *  0.0481% (0.11   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD    LYS+ 102  21.36 +/- 0.57   0.000% *  0.0913% (0.21   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  20.88 +/- 0.63   0.000% *  0.0660% (0.15   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD2   LYS+ 111  20.53 +/- 0.78   0.000% *  0.0553% (0.13   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD3   LYS+ 111  23.14 +/- 1.16   0.000% *  0.1071% (0.25   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  21.96 +/- 0.74   0.000% *  0.0790% (0.18   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 111  23.67 +/- 0.79   0.000% *  0.1061% (0.25   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+ 102  24.14 +/- 0.79   0.000% *  0.1093% (0.25   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HD2   LYS+ 111  22.24 +/- 1.09   0.000% *  0.0663% (0.15   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD    LYS+  38  18.70 +/- 0.74   0.000% *  0.0197% (0.05   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HD3   LYS+ 111  18.58 +/- 1.12   0.000% *  0.0165% (0.04   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   LYS+ 111  23.48 +/- 0.65   0.000% *  0.0657% (0.15   0.02   0.02) =   0.000%
          HG    LEU  104 - HD3   LYS+ 111  20.82 +/- 0.64   0.000% *  0.0267% (0.06   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   LYS+ 111  18.13 +/- 0.84   0.000% *  0.0102% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 102  20.06 +/- 0.62   0.000% *  0.0191% (0.04   0.02   0.02) =   0.000%
          HG    LEU  104 - HD2   LYS+ 111  20.86 +/- 0.66   0.000% *  0.0165% (0.04   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+ 102  22.06 +/- 0.63   0.000% *  0.0169% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 111  23.45 +/- 0.58   0.000% *  0.0238% (0.06   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD2   LYS+ 111  23.21 +/- 0.75   0.000% *  0.0148% (0.03   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD    LYS+  38  22.80 +/- 0.32   0.000% *  0.0122% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  38  26.66 +/- 0.34   0.000% *  0.0138% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 712 (1.66, 1.66, 29.54 ppm):
    5 diagonal assignments:
    *     QD    LYS+  65 - QD    LYS+  65  (1.00)  kept
          QD    LYS+  38 - QD    LYS+  38  (0.17)  kept
          QD    LYS+ 102 - QD    LYS+ 102  (0.14)  kept
          HD3   LYS+ 111 - HD3   LYS+ 111  (0.06)  kept
          HD2   LYS+ 111 - HD2   LYS+ 111  (0.02)  kept
 
    Peak 713 (2.93, 1.66, 29.54 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 161.8:
    * O T QE    LYS+  65 - QD    LYS+  65   2.11 +/- 0.02  99.949% * 96.2682% (1.00   4.00 161.77) = 100.000%  kept
          HB2   ASN   35 - QD    LYS+  38   7.93 +/- 0.35   0.037% *  0.0533% (0.11   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+  38  10.61 +/- 1.17   0.008% *  0.0789% (0.16   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+  65  15.54 +/- 2.19   0.001% *  0.4317% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 102  13.61 +/- 0.95   0.002% *  0.0738% (0.15   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+ 102  15.33 +/- 1.13   0.001% *  0.1123% (0.23   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  38  16.33 +/- 0.58   0.000% *  0.0849% (0.18   0.02   0.02) =   0.000%
        T QE    LYS+  33 - QD    LYS+ 102  17.19 +/- 0.97   0.000% *  0.1091% (0.23   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+  65  22.66 +/- 1.21   0.000% *  0.4645% (0.97   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  65  21.51 +/- 1.20   0.000% *  0.2919% (0.61   0.02   0.02) =   0.000%
          HB2   ASN   28 - QD    LYS+ 102  19.16 +/- 0.81   0.000% *  0.1174% (0.24   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  65  24.90 +/- 0.82   0.000% *  0.4443% (0.92   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  65  21.96 +/- 1.02   0.000% *  0.1807% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    LYS+  38  19.35 +/- 0.93   0.000% *  0.0812% (0.17   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD3   LYS+ 111  21.85 +/- 0.94   0.000% *  0.1192% (0.25   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+  38  21.24 +/- 1.04   0.000% *  0.0879% (0.18   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HD2   LYS+ 111  20.98 +/- 0.96   0.000% *  0.0737% (0.15   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD3   LYS+ 111  23.03 +/- 0.95   0.000% *  0.1100% (0.23   0.02   0.02) =   0.000%
        T QE    LYS+  65 - QD    LYS+ 102  23.42 +/- 1.05   0.000% *  0.1217% (0.25   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HD2   LYS+ 111  23.49 +/- 1.10   0.000% *  0.0681% (0.14   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD3   LYS+ 111  22.70 +/- 1.45   0.000% *  0.0447% (0.09   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD2   LYS+ 111  22.66 +/- 1.42   0.000% *  0.0277% (0.06   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD3   LYS+ 111  28.86 +/- 1.16   0.000% *  0.1069% (0.22   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD3   LYS+ 111  30.75 +/- 1.13   0.000% *  0.1150% (0.24   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+ 102  26.39 +/- 0.78   0.000% *  0.0457% (0.09   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HD2   LYS+ 111  28.63 +/- 1.20   0.000% *  0.0661% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD3   LYS+ 111  30.71 +/- 0.96   0.000% *  0.0723% (0.15   0.02   0.02) =   0.000%
          HB2   ASN   28 - HD2   LYS+ 111  30.79 +/- 1.10   0.000% *  0.0712% (0.15   0.02   0.02) =   0.000%
          HB2   ASP-  78 - QD    LYS+  38  28.38 +/- 0.48   0.000% *  0.0330% (0.07   0.02   0.02) =   0.000%
          HB2   ASN   35 - HD2   LYS+ 111  30.73 +/- 0.91   0.000% *  0.0447% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 721 (3.96, 2.93, 42.22 ppm):
    24 chemical-shift based assignments, quality = 0.923, support = 4.75, residual support = 161.7:
    *   T HA    LYS+  65 - QE    LYS+  65   4.01 +/- 0.70  74.333% * 95.6283% (0.92   4.75 161.77) =  99.959%  kept
          HA2   GLY   16 - QE    LYS+  65   7.42 +/- 1.50   4.484% *  0.4211% (0.97   0.02   0.02) =   0.027%
        T HA    GLN   32 - QE    LYS+  33   6.47 +/- 1.64  20.707% *  0.0444% (0.10   0.02  15.31) =   0.013%
          HA2   GLY   16 - QE    LYS+  33  11.54 +/- 2.33   0.281% *  0.2165% (0.50   0.02   0.02) =   0.001%
          HA    ALA  120 - QE    LYS+  65  14.80 +/- 1.02   0.037% *  0.4128% (0.95   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QE    LYS+  33  15.37 +/- 2.04   0.040% *  0.2071% (0.47   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  65  18.43 +/- 0.84   0.010% *  0.3335% (0.76   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  65  17.54 +/- 1.10   0.015% *  0.2124% (0.49   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QE    LYS+  65  17.67 +/- 0.81   0.012% *  0.2470% (0.57   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  65  18.43 +/- 0.76   0.010% *  0.2823% (0.65   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  65  17.54 +/- 0.93   0.014% *  0.1488% (0.34   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  33  19.07 +/- 1.03   0.008% *  0.2165% (0.50   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  65  17.02 +/- 0.76   0.016% *  0.1088% (0.25   0.02   0.02) =   0.000%
          HB    THR   94 - QE    LYS+  33  19.51 +/- 0.73   0.007% *  0.1451% (0.33   0.02   0.02) =   0.000%
          QB    SER   85 - QE    LYS+  65  23.57 +/- 0.71   0.002% *  0.4211% (0.97   0.02   0.02) =   0.000%
          QB    SER   48 - QE    LYS+  33  21.05 +/- 1.08   0.005% *  0.1714% (0.39   0.02   0.02) =   0.000%
          HA    ALA  120 - QE    LYS+  33  23.05 +/- 1.45   0.003% *  0.2122% (0.49   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QE    LYS+  33  22.50 +/- 1.32   0.003% *  0.1270% (0.29   0.02   0.02) =   0.000%
        T HA    GLN   32 - QE    LYS+  65  22.04 +/- 1.31   0.003% *  0.0864% (0.20   0.02   0.02) =   0.000%
          HD2   PRO   52 - QE    LYS+  33  24.60 +/- 1.03   0.002% *  0.0765% (0.18   0.02   0.02) =   0.000%
          QB    SER  117 - QE    LYS+  33  23.10 +/- 0.96   0.003% *  0.0559% (0.13   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  33  21.81 +/- 0.78   0.004% *  0.0393% (0.09   0.02   0.02) =   0.000%
          HA2   GLY   51 - QE    LYS+  33  26.53 +/- 1.22   0.001% *  0.1092% (0.25   0.02   0.02) =   0.000%
          HA    ALA   88 - QE    LYS+  65  25.16 +/- 0.85   0.001% *  0.0764% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.01 A, kept.
 
    Peak 722 (1.80, 2.93, 42.22 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 5.08, residual support = 161.7:
    *   T QB    LYS+  65 - QE    LYS+  65   3.19 +/- 0.42  87.754% * 97.1351% (1.00   5.08 161.77) =  99.969%  kept
          HB3   GLN   17 - QE    LYS+  65   6.13 +/- 1.48   8.195% *  0.2318% (0.61   0.02   0.02) =   0.022%
          HB2   LEU   71 - QE    LYS+  33   6.69 +/- 1.44   2.989% *  0.1961% (0.51   0.02   0.02) =   0.007%
          QB    LYS+  66 - QE    LYS+  65   7.33 +/- 0.54   0.606% *  0.2164% (0.57   0.02  27.59) =   0.002%
          HB    VAL   41 - QE    LYS+  33   9.14 +/- 1.18   0.345% *  0.0737% (0.19   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  33  12.20 +/- 2.19   0.052% *  0.1192% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  65  13.80 +/- 1.13   0.016% *  0.3814% (1.00   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QE    LYS+  33  15.62 +/- 1.76   0.009% *  0.1965% (0.51   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  65  16.79 +/- 0.93   0.005% *  0.3193% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  33  15.77 +/- 1.08   0.007% *  0.1926% (0.50   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  33  15.91 +/- 1.66   0.008% *  0.1113% (0.29   0.02   0.02) =   0.000%
          HB    VAL   41 - QE    LYS+  65  16.36 +/- 0.95   0.006% *  0.1435% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  65  21.36 +/- 1.09   0.001% *  0.3747% (0.98   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  33  16.28 +/- 0.58   0.006% *  0.0490% (0.13   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  33  23.28 +/- 1.12   0.001% *  0.1641% (0.43   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  65  21.35 +/- 0.77   0.001% *  0.0953% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 724 (1.50, 2.93, 42.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 4.44, residual support = 161.8:
    * O T HG2   LYS+  65 - QE    LYS+  65   2.72 +/- 0.25  98.976% * 96.7431% (1.00   4.44 161.77) =  99.997%  kept
          QD    LYS+  66 - QE    LYS+  65   6.64 +/- 0.65   0.582% *  0.3166% (0.73   0.02  27.59) =   0.002%
          QG2   THR   26 - QE    LYS+  33   7.71 +/- 1.32   0.354% *  0.2221% (0.51   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QE    LYS+  65  11.44 +/- 0.61   0.021% *  0.3641% (0.84   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  65  14.17 +/- 0.84   0.005% *  0.4321% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  33  13.52 +/- 1.28   0.009% *  0.1872% (0.43   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  65  11.85 +/- 1.09   0.017% *  0.0673% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  33  12.09 +/- 1.18   0.016% *  0.0499% (0.11   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QE    LYS+  33  16.27 +/- 1.98   0.003% *  0.2241% (0.51   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  65  18.83 +/- 1.10   0.001% *  0.4321% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  65  15.64 +/- 1.21   0.003% *  0.0971% (0.22   0.02   0.02) =   0.000%
          QD    LYS+  66 - QE    LYS+  33  17.53 +/- 1.71   0.002% *  0.1627% (0.37   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  65  17.04 +/- 0.81   0.002% *  0.1087% (0.25   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  33  15.75 +/- 0.89   0.003% *  0.0559% (0.13   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  33  16.15 +/- 1.27   0.003% *  0.0346% (0.08   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  65  19.18 +/- 0.92   0.001% *  0.1087% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  33  22.40 +/- 1.80   0.000% *  0.2221% (0.51   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  65  19.12 +/- 0.88   0.001% *  0.0764% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  33  21.19 +/- 1.27   0.001% *  0.0559% (0.13   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  33  25.74 +/- 1.02   0.000% *  0.0392% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 726 (1.66, 2.93, 42.22 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 161.8:
    * O T QD    LYS+  65 - QE    LYS+  65   2.11 +/- 0.02  99.949% * 95.8064% (1.00   4.00 161.77) = 100.000%  kept
          QB    ALA   57 - QE    LYS+  65   8.33 +/- 0.85   0.033% *  0.1332% (0.28   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  33  10.61 +/- 1.17   0.008% *  0.2273% (0.47   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  65  12.01 +/- 1.00   0.003% *  0.2712% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  33  15.54 +/- 2.19   0.001% *  0.2463% (0.51   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  65  16.83 +/- 0.84   0.000% *  0.4780% (1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  65  14.76 +/- 1.30   0.001% *  0.1634% (0.34   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  33  15.60 +/- 1.24   0.001% *  0.2441% (0.51   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+  33  15.12 +/- 1.24   0.001% *  0.1394% (0.29   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  65  16.48 +/- 0.87   0.000% *  0.1798% (0.38   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  33  17.19 +/- 0.97   0.000% *  0.1394% (0.29   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  65  21.24 +/- 1.04   0.000% *  0.4422% (0.92   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  65  22.26 +/- 0.87   0.000% *  0.4748% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  33  21.01 +/- 1.35   0.000% *  0.2457% (0.51   0.02   0.02) =   0.000%
          QB    ALA   57 - QE    LYS+  33  17.97 +/- 1.19   0.000% *  0.0685% (0.14   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  65  23.42 +/- 1.05   0.000% *  0.2712% (0.57   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  65  21.85 +/- 0.94   0.000% *  0.1194% (0.25   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  65  20.98 +/- 0.96   0.000% *  0.0739% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  33  22.69 +/- 1.71   0.000% *  0.0840% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  33  23.19 +/- 1.17   0.000% *  0.0924% (0.19   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QE    LYS+  33  28.86 +/- 1.16   0.000% *  0.0614% (0.13   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  33  28.63 +/- 1.20   0.000% *  0.0380% (0.08   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 0.989, support = 4.99, residual support = 110.2:
    * O T QB    LYS+  66 - HA    LYS+  66   2.41 +/- 0.06  95.767% * 61.5576% (1.00   4.98 112.35) =  97.435%  kept
          QB    LYS+  65 - HA    LYS+  66   4.06 +/- 0.04   4.172% * 37.2002% (0.57   5.31  27.59) =   2.565%  kept
          HG    LEU  123 - HA    LYS+  66   8.80 +/- 0.88   0.056% *  0.1400% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+  66  13.73 +/- 0.39   0.003% *  0.1301% (0.53   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LYS+  66  16.21 +/- 0.64   0.001% *  0.2339% (0.95   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+  66  20.01 +/- 0.74   0.000% *  0.2218% (0.90   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LYS+  66  19.73 +/- 0.84   0.000% *  0.1699% (0.69   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LYS+  66  20.71 +/- 0.76   0.000% *  0.2065% (0.84   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  66  23.05 +/- 0.66   0.000% *  0.1400% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 4.32, residual support = 112.3:
    * O T QG    LYS+  66 - HA    LYS+  66   2.60 +/- 0.22  98.353% * 96.9050% (1.00   4.32 112.35) =  99.995%  kept
          HB3   LEU   67 - HA    LYS+  66   6.30 +/- 0.30   0.562% *  0.4244% (0.95   0.02  10.05) =   0.003%
        T HG    LEU   67 - HA    LYS+  66   6.02 +/- 0.90   0.957% *  0.1684% (0.38   0.02  10.05) =   0.002%
          QB    ALA   61 - HA    LYS+  66   8.23 +/- 0.27   0.110% *  0.3748% (0.84   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  66  12.81 +/- 0.65   0.007% *  0.2184% (0.49   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    LYS+  66  15.53 +/- 0.31   0.002% *  0.4244% (0.95   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  66  14.18 +/- 0.55   0.004% *  0.2184% (0.49   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  66  15.84 +/- 0.49   0.002% *  0.2361% (0.53   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  66  16.71 +/- 0.56   0.002% *  0.2721% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    LYS+  66  23.45 +/- 1.24   0.000% *  0.3892% (0.87   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  66  25.01 +/- 0.96   0.000% *  0.2902% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  66  26.39 +/- 0.87   0.000% *  0.0786% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 732 (1.51, 4.07, 57.65 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 112.3:
    *   T QD    LYS+  66 - HA    LYS+  66   2.31 +/- 0.29  99.714% * 97.7274% (1.00   4.31 112.35) =  99.999%  kept
          HG2   LYS+  65 - HA    LYS+  66   6.52 +/- 0.17   0.276% *  0.3290% (0.73   0.02  27.59) =   0.001%
          HB3   LYS+ 121 - HA    LYS+  66  13.50 +/- 0.83   0.004% *  0.3113% (0.69   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  66  15.31 +/- 0.91   0.002% *  0.3628% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  66  16.58 +/- 0.60   0.001% *  0.3113% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+  66  16.55 +/- 0.82   0.001% *  0.2384% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  66  15.94 +/- 0.81   0.001% *  0.1701% (0.38   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  66  18.11 +/- 0.37   0.001% *  0.2931% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  66  20.23 +/- 0.35   0.000% *  0.2565% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 3.76, residual support = 112.3:
    *   T QE    LYS+  66 - HA    LYS+  66   4.01 +/- 0.25  99.511% * 99.2616% (1.00   3.76 112.35) =  99.999%  kept
          HB2   ASN   69 - HA    LYS+  66  10.06 +/- 0.80   0.484% *  0.1630% (0.31   0.02   0.02) =   0.001%
          HB3   ASN   35 - HA    LYS+  66  23.35 +/- 0.45   0.003% *  0.4580% (0.87   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LYS+  66  23.92 +/- 0.43   0.002% *  0.1175% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.55 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 = 112.3:
    * O T HA    LYS+  66 - QB    LYS+  66   2.41 +/- 0.06  99.953% * 99.7947% (1.00   4.98 112.35) = 100.000%  kept
          HA1   GLY   16 - QB    LYS+  66   8.70 +/- 0.32   0.046% *  0.0543% (0.14   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  66  20.69 +/- 0.53   0.000% *  0.0892% (0.22   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    LYS+  66  24.03 +/- 0.49   0.000% *  0.0619% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 112.3:
    * O T QG    LYS+  66 - QB    LYS+  66   2.06 +/- 0.00  97.092% * 96.9003% (1.00   4.31 112.35) =  99.994%  kept
        T HG    LEU   67 - QB    LYS+  66   5.09 +/- 1.23   2.475% *  0.1686% (0.38   0.02  10.05) =   0.004%
          HB3   LEU   67 - QB    LYS+  66   5.40 +/- 0.39   0.356% *  0.4251% (0.95   0.02  10.05) =   0.002%
          QB    ALA   61 - QB    LYS+  66   7.07 +/- 0.28   0.061% *  0.3753% (0.84   0.02   0.02) =   0.000%
          HG    LEU   40 - QB    LYS+  66  10.33 +/- 0.65   0.007% *  0.2187% (0.49   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+  66  10.52 +/- 0.56   0.006% *  0.2187% (0.49   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+  66  13.34 +/- 0.43   0.001% *  0.4251% (0.95   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+  66  13.46 +/- 0.56   0.001% *  0.2725% (0.61   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+  66  14.51 +/- 0.44   0.001% *  0.2364% (0.53   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QB    LYS+  66  19.53 +/- 1.14   0.000% *  0.3898% (0.87   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+  66  21.59 +/- 0.87   0.000% *  0.2907% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+  66  22.68 +/- 0.76   0.000% *  0.0787% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 738 (1.51, 1.82, 33.88 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 112.3:
    * O T QD    LYS+  66 - QB    LYS+  66   2.34 +/- 0.16  99.756% * 97.7240% (1.00   4.31 112.35) =  99.999%  kept
        T HG2   LYS+  65 - QB    LYS+  66   6.62 +/- 0.16   0.205% *  0.3295% (0.73   0.02  27.59) =   0.001%
          HB3   LYS+ 121 - QB    LYS+  66   9.85 +/- 0.76   0.020% *  0.3117% (0.69   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QB    LYS+  66  11.54 +/- 0.76   0.008% *  0.3634% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - QB    LYS+  66  13.27 +/- 0.62   0.003% *  0.3117% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  66  13.96 +/- 0.78   0.002% *  0.2388% (0.53   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QB    LYS+  66  13.70 +/- 0.85   0.003% *  0.1703% (0.38   0.02   0.02) =   0.000%
          QG2   THR   26 - QB    LYS+  66  16.13 +/- 0.39   0.001% *  0.2936% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  66  15.89 +/- 0.38   0.001% *  0.2569% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.71 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 = 3.71, residual support = 112.3:
    *   T QE    LYS+  66 - QB    LYS+  66   2.71 +/- 0.51  99.903% * 99.2522% (1.00   3.71 112.35) = 100.000%  kept
          HB2   ASN   69 - QB    LYS+  66   9.55 +/- 0.72   0.096% *  0.1650% (0.31   0.02   0.02) =   0.000%
          HB3   ASN   35 - QB    LYS+  66  20.59 +/- 0.54   0.001% *  0.4637% (0.87   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QB    LYS+  66  20.63 +/- 0.48   0.001% *  0.1190% (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 = 4.32, residual support = 112.3:
    * O T HA    LYS+  66 - QG    LYS+  66   2.60 +/- 0.22  90.267% * 99.7098% (1.00   4.32 112.35) =  99.999%  kept
          HA1   GLY   16 - HG    LEU   67   6.98 +/- 2.72   8.843% *  0.0048% (0.01   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HG    LEU   67   6.02 +/- 0.90   0.838% *  0.0355% (0.08   0.02  10.05) =   0.000%
          HA1   GLY   16 - QG    LYS+  66   9.28 +/- 0.44   0.050% *  0.0625% (0.14   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  66  22.37 +/- 0.49   0.000% *  0.1028% (0.22   0.02   0.02) =   0.000%
          HA    LYS+  81 - QG    LYS+  66  24.56 +/- 0.54   0.000% *  0.0712% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   67  18.28 +/- 1.07   0.001% *  0.0079% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   67  25.05 +/- 0.82   0.000% *  0.0055% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.974, support = 4.37, residual support = 107.3:
    * O T QB    LYS+  66 - QG    LYS+  66   2.06 +/- 0.00  89.179% * 58.0537% (1.00   4.31 112.35) =  94.047%  kept
          QB    LYS+  65 - QG    LYS+  66   3.19 +/- 0.44   8.098% * 40.4574% (0.57   5.31  27.59) =   5.951%  kept
        T QB    LYS+  66 - HG    LEU   67   5.09 +/- 1.23   2.367% *  0.0207% (0.08   0.02  10.05) =   0.001%
          HG    LEU  123 - QG    LYS+  66   6.15 +/- 0.95   0.265% *  0.1524% (0.57   0.02   0.02) =   0.001%
          QB    LYS+  65 - HG    LEU   67   7.51 +/- 1.02   0.058% *  0.0117% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   71 - QG    LYS+  66  13.57 +/- 0.41   0.001% *  0.1416% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG    LEU   67   9.22 +/- 1.03   0.014% *  0.0109% (0.04   0.02   0.02) =   0.000%
        T HB    VAL   41 - QG    LYS+  66  15.21 +/- 0.48   0.001% *  0.2547% (0.95   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   67  10.44 +/- 2.12   0.011% *  0.0117% (0.04   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    LYS+  66  15.97 +/- 0.82   0.000% *  0.2414% (0.90   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG    LEU   67  11.33 +/- 1.23   0.004% *  0.0196% (0.07   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    LYS+  66  18.35 +/- 0.70   0.000% *  0.2249% (0.84   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QG    LYS+  66  17.83 +/- 0.75   0.000% *  0.1849% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG    LYS+  66  18.51 +/- 0.81   0.000% *  0.1524% (0.57   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG    LEU   67  15.47 +/- 2.04   0.001% *  0.0142% (0.05   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   67  16.10 +/- 1.88   0.000% *  0.0173% (0.06   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   67  19.29 +/- 1.41   0.000% *  0.0186% (0.07   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   67  22.95 +/- 1.25   0.000% *  0.0117% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 4.1, residual support = 112.3:
    * O T QD    LYS+  66 - QG    LYS+  66   2.07 +/- 0.02  99.587% * 97.3977% (1.00   4.10 112.35) =  99.999%  kept
          HG2   LYS+  65 - QG    LYS+  66   5.74 +/- 0.50   0.240% *  0.3449% (0.73   0.02  27.59) =   0.001%
        T QD    LYS+  66 - HG    LEU   67   7.12 +/- 1.00   0.114% *  0.0366% (0.08   0.02  10.05) =   0.000%
          HB3   LYS+ 121 - QG    LYS+  66  10.92 +/- 0.84   0.005% *  0.3263% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG    LEU   67   8.99 +/- 1.40   0.031% *  0.0266% (0.06   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QG    LYS+  66  12.67 +/- 0.78   0.002% *  0.3804% (0.80   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG    LYS+  66  14.02 +/- 1.03   0.001% *  0.2499% (0.53   0.02   0.02) =   0.000%
          HG    LEU  104 - QG    LYS+  66  15.01 +/- 0.65   0.001% *  0.3263% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QG    LYS+  66  13.95 +/- 0.67   0.001% *  0.1783% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HG    LEU   67  11.72 +/- 2.80   0.007% *  0.0251% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG    LYS+  66  15.89 +/- 0.50   0.000% *  0.2689% (0.57   0.02   0.02) =   0.000%
          HG    LEU  104 - HG    LEU   67  12.00 +/- 2.22   0.005% *  0.0251% (0.05   0.02   0.02) =   0.000%
          QG2   THR   26 - QG    LYS+  66  16.66 +/- 0.46   0.000% *  0.3073% (0.65   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG    LEU   67  13.39 +/- 2.88   0.003% *  0.0293% (0.06   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG    LEU   67  14.04 +/- 1.25   0.001% *  0.0137% (0.03   0.02   0.02) =   0.000%
          QG2   THR   26 - HG    LEU   67  15.40 +/- 1.20   0.001% *  0.0237% (0.05   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG    LEU   67  15.18 +/- 1.00   0.001% *  0.0192% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG    LEU   67  19.52 +/- 1.76   0.000% *  0.0207% (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 = 3.53, residual support = 112.3:
    * O T QE    LYS+  66 - QG    LYS+  66   2.16 +/- 0.13  99.789% * 99.1103% (1.00   3.53 112.35) = 100.000%  kept
        T QE    LYS+  66 - HG    LEU   67   7.91 +/- 1.16   0.099% *  0.0433% (0.08   0.02  10.05) =   0.000%
          HB2   ASN   69 - HG    LEU   67   7.20 +/- 0.85   0.105% *  0.0134% (0.02   0.02   3.01) =   0.000%
          HB2   ASN   69 - QG    LYS+  66  11.19 +/- 0.77   0.006% *  0.1734% (0.31   0.02   0.02) =   0.000%
          HB3   ASN   35 - QG    LYS+  66  22.19 +/- 0.48   0.000% *  0.4874% (0.87   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QG    LYS+  66  20.80 +/- 0.66   0.000% *  0.1251% (0.22   0.02   0.02) =   0.000%
          HB3   ASN   35 - HG    LEU   67  18.29 +/- 1.02   0.000% *  0.0375% (0.07   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HG    LEU   67  21.72 +/- 0.93   0.000% *  0.0096% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 752 (4.07, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 112.3:
    *   T HA    LYS+  66 - QD    LYS+  66   2.31 +/- 0.29  99.973% * 99.6763% (1.00   4.31 112.35) = 100.000%  kept
          HA1   GLY   16 - QD    LYS+  66   9.59 +/- 0.37   0.025% *  0.0625% (0.14   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HD2   LYS+ 121  15.31 +/- 0.91   0.002% *  0.0575% (0.12   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  66  22.87 +/- 0.48   0.000% *  0.1029% (0.22   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD    LYS+  66  26.19 +/- 0.75   0.000% *  0.0713% (0.15   0.02   0.02) =   0.000%
          HA1   GLY   16 - HD2   LYS+ 121  19.84 +/- 1.32   0.000% *  0.0078% (0.02   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD2   LYS+ 121  24.40 +/- 1.63   0.000% *  0.0128% (0.03   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD2   LYS+ 121  26.71 +/- 1.38   0.000% *  0.0089% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 753 (1.82, 1.51, 29.56 ppm):
    18 chemical-shift based assignments, quality = 0.985, support = 4.34, residual support = 109.4:
    * O T QB    LYS+  66 - QD    LYS+  66   2.34 +/- 0.16  94.903% * 57.9470% (1.00   4.31 112.35) =  96.579%  kept
        T QB    LYS+  65 - QD    LYS+  66   3.98 +/- 0.41   4.812% * 40.4807% (0.57   5.31  27.59) =   3.421%  kept
          HG    LEU  123 - QD    LYS+  66   6.91 +/- 0.99   0.219% *  0.1523% (0.57   0.02   0.02) =   0.001%
          HG    LEU  123 - HD2   LYS+ 121   8.88 +/- 0.71   0.039% *  0.0189% (0.07   0.02   2.42) =   0.000%
          HB2   LEU   71 - QD    LYS+  66  14.37 +/- 0.43   0.002% *  0.1416% (0.53   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HD2   LYS+ 121  11.54 +/- 0.76   0.008% *  0.0335% (0.12   0.02   0.02) =   0.000%
          HB    VAL   41 - QD    LYS+  66  16.30 +/- 0.76   0.001% *  0.2546% (0.95   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   LYS+ 121  11.89 +/- 1.14   0.008% *  0.0230% (0.09   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD    LYS+  66  17.67 +/- 1.07   0.001% *  0.2413% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 121  13.47 +/- 1.15   0.004% *  0.0279% (0.10   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD    LYS+  66  18.70 +/- 0.85   0.000% *  0.1848% (0.69   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  66  19.66 +/- 1.05   0.000% *  0.2248% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  66  20.11 +/- 1.02   0.000% *  0.1523% (0.57   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   LYS+ 121  16.33 +/- 1.45   0.001% *  0.0317% (0.12   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 121  15.80 +/- 0.64   0.001% *  0.0189% (0.07   0.02   0.02) =   0.000%
          HG2   PRO   93 - HD2   LYS+ 121  18.14 +/- 1.64   0.001% *  0.0300% (0.11   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 121  18.10 +/- 1.28   0.001% *  0.0176% (0.07   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 121  21.97 +/- 1.85   0.000% *  0.0189% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.88 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 = 4.1, residual support = 112.3:
    * O T QG    LYS+  66 - QD    LYS+  66   2.07 +/- 0.02  99.756% * 96.2989% (1.00   4.10 112.35) =  99.999%  kept
          QB    ALA   61 - QD    LYS+  66   7.32 +/- 0.56   0.061% *  0.3923% (0.84   0.02   0.02) =   0.000%
        T HG    LEU   67 - QD    LYS+  66   7.12 +/- 1.00   0.114% *  0.1763% (0.38   0.02  10.05) =   0.000%
          HB3   LEU   67 - QD    LYS+  66   7.65 +/- 0.34   0.041% *  0.4443% (0.95   0.02  10.05) =   0.000%
          HB3   LEU  115 - QD    LYS+  66  12.20 +/- 0.93   0.003% *  0.2286% (0.49   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  66  13.02 +/- 0.72   0.002% *  0.2286% (0.49   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  66  14.49 +/- 0.73   0.001% *  0.2849% (0.61   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  66  15.65 +/- 0.47   0.001% *  0.4443% (0.95   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HD2   LYS+ 121  11.33 +/- 1.59   0.006% *  0.0284% (0.06   0.02   0.02) =   0.000%
        T HG    LEU   40 - HD2   LYS+ 121  11.57 +/- 1.47   0.005% *  0.0284% (0.06   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HD2   LYS+ 121  12.67 +/- 0.78   0.002% *  0.0584% (0.12   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  66  16.08 +/- 0.41   0.000% *  0.2471% (0.53   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 121  13.77 +/- 1.43   0.001% *  0.0552% (0.12   0.02   0.02) =   0.000%
        T HG    LEU   67 - HD2   LYS+ 121  13.39 +/- 2.88   0.003% *  0.0219% (0.05   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   LYS+ 121  15.10 +/- 1.98   0.001% *  0.0507% (0.11   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    LYS+  66  22.23 +/- 1.20   0.000% *  0.4074% (0.87   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 121  15.82 +/- 0.81   0.001% *  0.0488% (0.10   0.02   0.02) =   0.000%
          QB    ALA  110 - HD2   LYS+ 121  15.43 +/- 1.52   0.001% *  0.0354% (0.08   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  66  23.65 +/- 1.13   0.000% *  0.3038% (0.65   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 121  18.70 +/- 1.16   0.000% *  0.0552% (0.12   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    LYS+  66  24.89 +/- 1.08   0.000% *  0.0823% (0.18   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 121  23.36 +/- 1.10   0.000% *  0.0307% (0.07   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 121  26.34 +/- 1.51   0.000% *  0.0378% (0.08   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   LYS+ 121  26.42 +/- 1.65   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 = 3.32, residual support = 112.3:
    * O T QE    LYS+  66 - QD    LYS+  66   2.09 +/- 0.03  99.991% * 98.9870% (1.00   3.32 112.35) = 100.000%  kept
          HB2   ASN   69 - QD    LYS+  66  11.03 +/- 0.77   0.005% *  0.1843% (0.31   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HD2   LYS+ 121  12.38 +/- 1.09   0.003% *  0.0742% (0.12   0.02   0.02) =   0.000%
          HB3   ASN   35 - QD    LYS+  66  22.94 +/- 0.49   0.000% *  0.5178% (0.87   0.02   0.02) =   0.000%
          HB2   ASN   69 - HD2   LYS+ 121  16.75 +/- 1.95   0.001% *  0.0229% (0.04   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - QD    LYS+  66  22.30 +/- 0.76   0.000% *  0.1329% (0.22   0.02   0.02) =   0.000%
          HB3   ASN   35 - HD2   LYS+ 121  23.82 +/- 1.53   0.000% *  0.0644% (0.11   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HD2   LYS+ 121  26.61 +/- 1.28   0.000% *  0.0165% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 3.76, residual support = 112.3:
    *   T HA    LYS+  66 - QE    LYS+  66   4.01 +/- 0.25  97.989% * 99.5622% (1.00   3.76 112.35) = 100.000%  kept
          HA    LYS+  81 - HB2   ASP-  76   7.99 +/- 0.53   1.786% *  0.0170% (0.03   0.02   0.02) =   0.000%
          HA1   GLY   16 - QE    LYS+  66  11.26 +/- 0.38   0.212% *  0.0717% (0.14   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  66  23.68 +/- 0.86   0.002% *  0.1179% (0.22   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB2   ASP-  76  23.92 +/- 0.43   0.002% *  0.1101% (0.21   0.02   0.02) =   0.000%
          HA    LYS+  81 - QE    LYS+  66  26.51 +/- 0.60   0.001% *  0.0817% (0.15   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   ASP-  76  20.45 +/- 0.76   0.006% *  0.0149% (0.03   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   ASP-  76  25.24 +/- 0.50   0.002% *  0.0245% (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 = 0.987, support = 3.74, residual support = 109.8:
    *   T QB    LYS+  66 - QE    LYS+  66   2.71 +/- 0.51  91.682% * 57.2037% (1.00   3.71 112.35) =  97.047%  kept
          QB    LYS+  65 - QE    LYS+  66   5.43 +/- 0.43   3.890% * 40.8263% (0.57   4.68  27.59) =   2.939%  kept
          HG    LEU  123 - QE    LYS+  66   5.24 +/- 1.08   4.396% *  0.1744% (0.57   0.02   0.02) =   0.014%
          HB    VAL   41 - QE    LYS+  66  16.81 +/- 0.69   0.002% *  0.2915% (0.95   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  66  17.31 +/- 0.94   0.002% *  0.2763% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  66  15.31 +/- 0.64   0.004% *  0.1621% (0.53   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   ASP-  76  13.82 +/- 0.63   0.008% *  0.0575% (0.19   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QE    LYS+  66  18.40 +/- 1.00   0.001% *  0.2117% (0.69   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  66  19.43 +/- 0.87   0.001% *  0.2574% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  66  19.77 +/- 1.02   0.001% *  0.1744% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   ASP-  76  15.13 +/- 0.58   0.005% *  0.0363% (0.12   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   ASP-  76  16.92 +/- 0.42   0.002% *  0.0606% (0.20   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   ASP-  76  17.91 +/- 0.85   0.002% *  0.0337% (0.11   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   ASP-  76  19.59 +/- 0.30   0.001% *  0.0535% (0.17   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HB2   ASP-  76  20.63 +/- 0.48   0.001% *  0.0641% (0.21   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   ASP-  76  18.81 +/- 0.41   0.001% *  0.0363% (0.12   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   ASP-  76  22.68 +/- 0.29   0.000% *  0.0440% (0.14   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   ASP-  76  26.72 +/- 0.45   0.000% *  0.0363% (0.12   0.02   0.02) =   0.000%
    Distance limit 5.30 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 = 3.53, residual support = 112.3:
    * O T QG    LYS+  66 - QE    LYS+  66   2.16 +/- 0.13  99.282% * 95.3815% (1.00   3.53 112.35) =  99.999%  kept
          HG    LEU   80 - HB2   ASP-  76   5.89 +/- 1.31   0.469% *  0.0727% (0.13   0.02   1.12) =   0.000%
          QB    ALA   61 - QE    LYS+  66   8.02 +/- 0.63   0.044% *  0.4517% (0.84   0.02   0.02) =   0.000%
        T HG    LEU   67 - QE    LYS+  66   7.91 +/- 1.16   0.098% *  0.2030% (0.38   0.02  10.05) =   0.000%
          HB3   LEU   67 - QE    LYS+  66   8.51 +/- 0.59   0.036% *  0.5116% (0.95   0.02  10.05) =   0.000%
          HB3   LEU  115 - QE    LYS+  66  11.38 +/- 0.74   0.005% *  0.2632% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   80 - HB2   ASP-  76   7.74 +/- 0.42   0.053% *  0.0197% (0.04   0.02   1.12) =   0.000%
          HG    LEU   40 - QE    LYS+  66  13.20 +/- 0.78   0.002% *  0.2632% (0.49   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  66  14.09 +/- 0.71   0.001% *  0.3280% (0.61   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  66  16.48 +/- 0.50   0.001% *  0.5116% (0.95   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   ASP-  76  13.09 +/- 0.42   0.002% *  0.1064% (0.20   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   ASP-  76  13.71 +/- 0.30   0.002% *  0.0939% (0.17   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   ASP-  76  13.17 +/- 0.50   0.002% *  0.0682% (0.13   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  66  17.44 +/- 0.47   0.000% *  0.2845% (0.53   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   ASP-  76  13.99 +/- 0.71   0.002% *  0.0592% (0.11   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QE    LYS+  66  21.96 +/- 1.44   0.000% *  0.4691% (0.87   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  66  24.34 +/- 0.95   0.000% *  0.3498% (0.65   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB2   ASP-  76  20.80 +/- 0.66   0.000% *  0.1124% (0.21   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   ASP-  76  20.85 +/- 0.69   0.000% *  0.1064% (0.20   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB2   ASP-  76  18.75 +/- 0.33   0.000% *  0.0547% (0.10   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   ASP-  76  20.58 +/- 1.13   0.000% *  0.0547% (0.10   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB2   ASP-  76  21.72 +/- 0.93   0.000% *  0.0422% (0.08   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    LYS+  66  25.47 +/- 0.84   0.000% *  0.0947% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   ASP-  76  26.47 +/- 0.58   0.000% *  0.0975% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 3.32, residual support = 112.3:
    * O T QD    LYS+  66 - QE    LYS+  66   2.09 +/- 0.03  99.843% * 96.3588% (1.00   3.32 112.35) = 100.000%  kept
          HG2   LYS+  65 - QE    LYS+  66   8.24 +/- 0.40   0.028% *  0.4220% (0.73   0.02  27.59) =   0.000%
          HD3   LYS+  74 - HB2   ASP-  76   7.86 +/- 0.81   0.047% *  0.0636% (0.11   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QE    LYS+  66  10.86 +/- 1.08   0.006% *  0.3992% (0.69   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   ASP-  76   8.27 +/- 0.63   0.029% *  0.0782% (0.13   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   ASP-  76   8.14 +/- 1.00   0.041% *  0.0453% (0.08   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QE    LYS+  66  12.38 +/- 1.09   0.003% *  0.4653% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - QE    LYS+  66  15.69 +/- 0.88   0.001% *  0.3992% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+  66  16.16 +/- 1.00   0.000% *  0.3057% (0.53   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QE    LYS+  66  16.54 +/- 0.69   0.000% *  0.3290% (0.57   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QE    LYS+  66  16.24 +/- 0.76   0.000% *  0.2181% (0.38   0.02   0.02) =   0.000%
          QG2   THR   26 - QE    LYS+  66  18.57 +/- 0.40   0.000% *  0.3759% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   ASP-  76  19.26 +/- 0.88   0.000% *  0.0877% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   ASP-  76  19.96 +/- 0.35   0.000% *  0.0684% (0.12   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HB2   ASP-  76  22.30 +/- 0.76   0.000% *  0.1208% (0.21   0.02   0.02) =   0.000%
          HG    LEU  104 - HB2   ASP-  76  22.95 +/- 0.53   0.000% *  0.0830% (0.14   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - HB2   ASP-  76  24.91 +/- 0.30   0.000% *  0.0830% (0.14   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HB2   ASP-  76  26.61 +/- 1.28   0.000% *  0.0967% (0.17   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 763 (2.87, 2.87, 42.12 ppm):
    2 diagonal assignments:
    *     QE    LYS+  66 - QE    LYS+  66  (1.00)  kept
          HB2   ASP-  76 - HB2   ASP-  76  (0.05)  kept
 
    Peak 764 (4.72, 4.72, 64.19 ppm):
    1 diagonal assignment:
    *     HA    PRO   68 - HA    PRO   68  (1.00)  kept
 
    Peak 765 (2.11, 4.72, 64.19 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 35.6:
    * O T HB2   PRO   68 - HA    PRO   68   2.60 +/- 0.20  99.997% * 96.6727% (0.84   2.00  35.64) = 100.000%  kept
          HG3   GLU- 100 - HA    PRO   68  15.95 +/- 0.68   0.002% *  1.0380% (0.90   0.02   0.02) =   0.000%
          QB    GLN   32 - HA    PRO   68  17.77 +/- 1.06   0.001% *  1.1345% (0.98   0.02   0.02) =   0.000%
        T HB    VAL   24 - HA    PRO   68  25.41 +/- 1.71   0.000% *  1.1548% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 766 (4.72, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 2.0, residual support = 35.6:
    * O T HA    PRO   68 - HB2   PRO   68   2.60 +/- 0.20 100.000% * 99.1920% (0.84   2.00  35.64) = 100.000%  kept
        T HA    PRO   68 - HB    VAL   24  25.41 +/- 1.71   0.000% *  0.8080% (0.68   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 767 (2.11, 2.11, 31.99 ppm):
    2 diagonal assignments:
    *     HB2   PRO   68 - HB2   PRO   68  (0.70)  kept
          HB    VAL   24 - HB    VAL   24  (0.68)  kept
 
    Peak 768 (4.68, 4.68, 53.57 ppm):
    1 diagonal assignment:
    *     HA    ASN   69 - HA    ASN   69  (1.00)  kept
 
    Peak 769 (2.90, 4.68, 53.57 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 61.5:
    * O T HB2   ASN   69 - HA    ASN   69   2.57 +/- 0.22  99.944% * 98.8841% (1.00   3.63  61.50) = 100.000%  kept
          QE    LYS+  33 - HA    ASN   69  10.86 +/- 1.99   0.040% *  0.0840% (0.15   0.02   0.02) =   0.000%
          QE    LYS+  66 - HA    ASN   69  11.73 +/- 0.87   0.016% *  0.1680% (0.31   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    ASN   69  23.97 +/- 0.55   0.000% *  0.5337% (0.98   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASN   69  28.10 +/- 0.36   0.000% *  0.3302% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 770 (2.81, 4.68, 53.57 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.31, residual support = 61.5:
    * O T HB3   ASN   69 - HA    ASN   69   2.49 +/- 0.15  99.965% * 98.6355% (1.00   3.31  61.50) = 100.000%  kept
          HB2   PHE   72 - HA    ASN   69   9.64 +/- 0.71   0.034% *  0.4325% (0.73   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASN   69  16.13 +/- 1.02   0.002% *  0.4551% (0.76   0.02   0.02) =   0.000%
          QB    CYS   50 - HA    ASN   69  21.81 +/- 0.39   0.000% *  0.4769% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 771 (4.68, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 61.5:
    * O T HA    ASN   69 - HB2   ASN   69   2.57 +/- 0.22  99.997% * 98.9771% (1.00   3.63  61.50) = 100.000%  kept
          HA    VAL   43 - HB2   ASN   69  15.42 +/- 0.61   0.003% *  0.4887% (0.90   0.02   0.02) =   0.000%
          HA    HIS   22 - HB2   ASN   69  24.38 +/- 0.56   0.000% *  0.5342% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 772 (2.90, 2.90, 37.49 ppm):
    1 diagonal assignment:
    *     HB2   ASN   69 - HB2   ASN   69  (1.00)  kept
 
    Peak 773 (2.81, 2.90, 37.49 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 61.5:
    * O T HB3   ASN   69 - HB2   ASN   69   1.75 +/- 0.00  99.998% * 98.8585% (1.00   3.97  61.50) = 100.000%  kept
          HB2   PHE   72 - HB2   ASN   69  11.21 +/- 0.75   0.002% *  0.3618% (0.73   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASN   69  17.44 +/- 1.06   0.000% *  0.3808% (0.76   0.02   0.02) =   0.000%
          QB    CYS   50 - HB2   ASN   69  23.12 +/- 0.56   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 = 3.31, residual support = 61.5:
    * O T HA    ASN   69 - HB3   ASN   69   2.49 +/- 0.15  99.998% * 98.8794% (1.00   3.31  61.50) = 100.000%  kept
          HA    VAL   43 - HB3   ASN   69  15.63 +/- 0.48   0.002% *  0.5354% (0.90   0.02   0.02) =   0.000%
          HA    HIS   22 - HB3   ASN   69  24.50 +/- 0.56   0.000% *  0.5852% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 775 (2.90, 2.81, 37.49 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 61.5:
    * O T HB2   ASN   69 - HB3   ASN   69   1.75 +/- 0.00  99.997% * 98.9775% (1.00   3.97  61.50) = 100.000%  kept
          QE    LYS+  66 - HB3   ASN   69  11.82 +/- 1.10   0.001% *  0.1540% (0.31   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASN   69  12.05 +/- 2.19   0.002% *  0.0770% (0.15   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HB3   ASN   69  25.64 +/- 0.67   0.000% *  0.4890% (0.98   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASN   69  29.72 +/- 0.49   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 = 83.5:
    * O T HB    VAL   70 - HA    VAL   70   2.90 +/- 0.28  94.263% * 97.0163% (1.00   4.31  83.50) =  99.998%  kept
          HB3   ASP-  76 - HA    SER   48   5.15 +/- 0.65   5.464% *  0.0256% (0.06   0.02   0.02) =   0.002%
        T QG    GLN   17 - HA    VAL   70  10.42 +/- 0.74   0.051% *  0.4459% (0.99   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    VAL   70   9.73 +/- 0.91   0.083% *  0.1388% (0.31   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    VAL   70  12.31 +/- 0.36   0.018% *  0.3438% (0.76   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    VAL   70   9.85 +/- 0.58   0.064% *  0.0890% (0.20   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   SER   82  11.94 +/- 0.78   0.024% *  0.2062% (0.46   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   SER   82  12.25 +/- 0.76   0.019% *  0.0544% (0.12   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   SER   82  15.96 +/- 0.30   0.004% *  0.1666% (0.37   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    VAL   70  21.30 +/- 0.59   0.001% *  0.4255% (0.95   0.02   0.02) =   0.000%
        T QG    GLN   17 - HA    SER   48  17.34 +/- 0.97   0.002% *  0.1016% (0.23   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    SER   48  18.20 +/- 0.87   0.002% *  0.0969% (0.22   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    SER   48  17.68 +/- 0.16   0.002% *  0.0783% (0.17   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB2   SER   82  22.56 +/- 1.21   0.000% *  0.2161% (0.48   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    VAL   70  21.61 +/- 0.63   0.001% *  0.1122% (0.25   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB2   SER   82  25.50 +/- 0.58   0.000% *  0.2180% (0.48   0.02   0.02) =   0.000%
        T HB    VAL   70 - HA    SER   48  23.64 +/- 0.79   0.000% *  0.1025% (0.23   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   SER   82  25.88 +/- 1.24   0.000% *  0.0673% (0.15   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   SER   82  26.89 +/- 0.92   0.000% *  0.0431% (0.10   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    SER   48  30.45 +/- 0.98   0.000% *  0.0316% (0.07   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    SER   48  31.58 +/- 0.47   0.000% *  0.0203% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 779 (0.86, 4.01, 61.79 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.93, residual support = 83.5:
    * O T QG1   VAL   70 - HA    VAL   70   2.56 +/- 0.25  98.416% * 97.0216% (1.00   4.93  83.50) =  99.994%  kept
          QD1   LEU   71 - HA    VAL   70   5.60 +/- 0.34   1.419% *  0.3637% (0.92   0.02  31.30) =   0.005%
          HB3   LEU   63 - HA    VAL   70   8.85 +/- 0.57   0.067% *  0.2230% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    VAL   70  10.58 +/- 1.09   0.030% *  0.3637% (0.92   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HA    VAL   70  10.42 +/- 0.87   0.027% *  0.3861% (0.98   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    VAL   70  11.25 +/- 0.67   0.017% *  0.2389% (0.61   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HA    SER   48  11.14 +/- 0.86   0.019% *  0.0880% (0.22   0.02   0.02) =   0.000%
        T QG1   VAL   18 - HB2   SER   82  16.65 +/- 0.47   0.002% *  0.1871% (0.47   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   SER   82  17.81 +/- 0.89   0.001% *  0.1762% (0.45   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    SER   48  18.86 +/- 1.17   0.001% *  0.0828% (0.21   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HB2   SER   82  22.35 +/- 0.43   0.000% *  0.1909% (0.48   0.02   0.02) =   0.000%
        T QG1   VAL   70 - HA    SER   48  21.16 +/- 0.45   0.000% *  0.0897% (0.23   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    SER   48  20.03 +/- 0.57   0.000% *  0.0508% (0.13   0.02   0.02) =   0.000%
        T QD1   LEU  123 - HA    SER   48  22.37 +/- 0.84   0.000% *  0.0828% (0.21   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   SER   82  26.55 +/- 0.82   0.000% *  0.1762% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   SER   82  24.92 +/- 0.50   0.000% *  0.1081% (0.27   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   SER   82  25.68 +/- 0.37   0.000% *  0.1158% (0.29   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    SER   48  26.93 +/- 0.28   0.000% *  0.0544% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.03 A, kept.
 
    Peak 780 (0.19, 4.01, 61.79 ppm):
    3 chemical-shift based assignments, quality = 0.801, support = 4.0, residual support = 83.5:
    * O T QG2   VAL   70 - HA    VAL   70   2.43 +/- 0.16  99.999% * 99.6451% (0.80   4.00  83.50) = 100.000%  kept
        T QG2   VAL   70 - HB2   SER   82  19.80 +/- 0.43   0.000% *  0.2414% (0.39   0.02   0.02) =   0.000%
        T QG2   VAL   70 - HA    SER   48  19.14 +/- 0.36   0.000% *  0.1135% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 781 (4.01, 2.20, 34.17 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 83.5:
    * O T HA    VAL   70 - HB    VAL   70   2.90 +/- 0.28  87.726% * 97.3361% (1.00   4.31  83.50) =  99.994%  kept
          HA    VAL   18 - QG    GLN   17   4.79 +/- 0.62   5.873% *  0.0576% (0.13   0.02  51.08) =   0.004%
          HA1   GLY   16 - QG    GLN   17   4.72 +/- 0.21   5.594% *  0.0166% (0.04   0.02  18.36) =   0.001%
          HA    VAL   18 - HB    VAL   70   8.91 +/- 0.97   0.157% *  0.3100% (0.69   0.02   0.02) =   0.001%
          HA1   GLY   16 - HB    VAL   70   7.42 +/- 1.03   0.511% *  0.0893% (0.20   0.02   0.02) =   0.001%
          HB2   SER   37 - HB    VAL   70  10.47 +/- 0.85   0.044% *  0.2197% (0.49   0.02   0.02) =   0.000%
        T HA    VAL   70 - QG    GLN   17  10.42 +/- 0.74   0.047% *  0.0838% (0.19   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    VAL   70  13.93 +/- 0.56   0.008% *  0.3915% (0.87   0.02   0.02) =   0.000%
          HA    GLN  116 - HB    VAL   70  15.06 +/- 0.58   0.005% *  0.4513% (1.00   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    GLN   17  13.77 +/- 1.61   0.009% *  0.0727% (0.16   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    VAL   70  17.75 +/- 0.43   0.002% *  0.3277% (0.73   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    GLN   17  13.13 +/- 1.57   0.013% *  0.0408% (0.09   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    GLN   17  14.81 +/- 1.71   0.006% *  0.0609% (0.13   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    GLN   17  18.27 +/- 0.91   0.002% *  0.0838% (0.19   0.02   0.02) =   0.000%
        T HB2   SER   82 - HB    VAL   70  25.50 +/- 0.58   0.000% *  0.2737% (0.61   0.02   0.02) =   0.000%
        T HA    SER   48 - QG    GLN   17  17.34 +/- 0.97   0.002% *  0.0209% (0.05   0.02   0.02) =   0.000%
        T HA    SER   48 - HB    VAL   70  23.64 +/- 0.79   0.000% *  0.1125% (0.25   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG    GLN   17  22.56 +/- 1.21   0.000% *  0.0508% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 782 (2.20, 2.20, 34.17 ppm):
    2 diagonal assignments:
    *     HB    VAL   70 - HB    VAL   70  (1.00)  kept
          QG    GLN   17 - QG    GLN   17  (0.18)  kept
 
    Peak 783 (0.86, 2.20, 34.17 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.34, residual support = 83.5:
    * O T QG1   VAL   70 - HB    VAL   70   2.13 +/- 0.01  99.101% * 98.1862% (1.00   5.34  83.50) =  99.999%  kept
          HB3   LEU   63 - HB    VAL   70   6.18 +/- 0.81   0.219% *  0.2084% (0.57   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG    GLN   17   5.41 +/- 0.47   0.424% *  0.0670% (0.18   0.02  51.08) =   0.000%
          QD1   LEU   71 - HB    VAL   70   7.14 +/- 0.35   0.074% *  0.3398% (0.92   0.02  31.30) =   0.000%
          QD1   LEU  123 - HB    VAL   70   8.56 +/- 1.04   0.031% *  0.3398% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL   70   9.42 +/- 1.08   0.018% *  0.3608% (0.98   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG    GLN   17   7.64 +/- 1.41   0.101% *  0.0631% (0.17   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB    VAL   70  10.47 +/- 0.76   0.008% *  0.2232% (0.61   0.02   0.02) =   0.000%
        T QG1   VAL   70 - QG    GLN   17   9.53 +/- 0.69   0.014% *  0.0684% (0.19   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG    GLN   17  10.47 +/- 0.57   0.008% *  0.0387% (0.11   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG    GLN   17  13.18 +/- 1.26   0.002% *  0.0631% (0.17   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG    GLN   17  18.66 +/- 0.62   0.000% *  0.0415% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 784 (0.19, 2.20, 34.17 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.31, residual support = 83.5:
    * O T QG2   VAL   70 - HB    VAL   70   2.12 +/- 0.01  99.980% * 99.9139% (0.80   4.31  83.50) = 100.000%  kept
        T QG2   VAL   70 - QG    GLN   17   8.95 +/- 0.66   0.020% *  0.0861% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 785 (4.01, 0.86, 24.07 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.93, residual support = 83.5:
    * O T HA    VAL   70 - QG1   VAL   70   2.56 +/- 0.25  98.915% * 98.0801% (1.00   4.93  83.50) =  99.999%  kept
          HA1   GLY   16 - QG1   VAL   70   7.07 +/- 1.18   0.897% *  0.0788% (0.20   0.02   0.02) =   0.001%
        T HA    VAL   18 - QG1   VAL   70   9.01 +/- 0.64   0.084% *  0.2736% (0.69   0.02   0.02) =   0.000%
          HB2   SER   37 - QG1   VAL   70   8.66 +/- 0.71   0.082% *  0.1938% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG1   VAL   70  12.06 +/- 0.34   0.011% *  0.3454% (0.87   0.02   0.02) =   0.000%
          HA    GLN  116 - QG1   VAL   70  12.66 +/- 0.53   0.009% *  0.3982% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG1   VAL   70  15.73 +/- 0.26   0.002% *  0.2892% (0.73   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG1   VAL   70  22.35 +/- 0.43   0.000% *  0.2415% (0.61   0.02   0.02) =   0.000%
        T HA    SER   48 - QG1   VAL   70  21.16 +/- 0.45   0.000% *  0.0993% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.02 A, kept.
 
    Peak 786 (2.20, 0.86, 24.07 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.34, residual support = 83.5:
    * O T HB    VAL   70 - QG1   VAL   70   2.13 +/- 0.01  99.939% * 98.7206% (1.00   5.34  83.50) = 100.000%  kept
        T QG    GLN   17 - QG1   VAL   70   9.53 +/- 0.69   0.014% *  0.3668% (0.99   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG1   VAL   70   8.70 +/- 0.77   0.026% *  0.1142% (0.31   0.02   0.02) =   0.000%
          HB2   MET   96 - QG1   VAL   70  10.38 +/- 0.29   0.008% *  0.2828% (0.76   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG1   VAL   70   9.58 +/- 0.39   0.013% *  0.0732% (0.20   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG1   VAL   70  19.75 +/- 0.50   0.000% *  0.3501% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG1   VAL   70  18.74 +/- 0.59   0.000% *  0.0923% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 787 (0.86, 0.86, 24.07 ppm):
    1 diagonal assignment:
    *     QG1   VAL   70 - QG1   VAL   70  (1.00)  kept
 
    Peak 788 (0.19, 0.86, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 4.93, residual support = 83.5:
    * O T QG2   VAL   70 - QG1   VAL   70   2.05 +/- 0.06 100.000% *100.0000% (0.80   4.93  83.50) = 100.000%  kept
    Distance limit 2.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 789 (4.01, 0.19, 22.28 ppm):
    9 chemical-shift based assignments, quality = 0.536, support = 4.0, residual support = 83.5:
    * O T HA    VAL   70 - QG2   VAL   70   2.43 +/- 0.16  99.483% * 97.6462% (0.54   4.00  83.50) =  99.999%  kept
          HA    VAL   18 - QG2   VAL   70   7.49 +/- 0.49   0.140% *  0.3354% (0.37   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG2   VAL   70   7.35 +/- 1.14   0.265% *  0.0966% (0.11   0.02   0.02) =   0.000%
          HB2   SER   37 - QG2   VAL   70   8.02 +/- 0.54   0.088% *  0.2376% (0.26   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG2   VAL   70  10.67 +/- 0.36   0.015% *  0.4235% (0.47   0.02   0.02) =   0.000%
          HA    GLN  116 - QG2   VAL   70  12.78 +/- 0.54   0.005% *  0.4882% (0.54   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG2   VAL   70  13.67 +/- 0.29   0.003% *  0.3545% (0.39   0.02   0.02) =   0.000%
        T HB2   SER   82 - QG2   VAL   70  19.80 +/- 0.43   0.000% *  0.2961% (0.33   0.02   0.02) =   0.000%
        T HA    SER   48 - QG2   VAL   70  19.14 +/- 0.36   0.000% *  0.1217% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 790 (2.20, 0.19, 22.28 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 4.31, residual support = 83.5:
    * O T HB    VAL   70 - QG2   VAL   70   2.12 +/- 0.01  99.903% * 98.4222% (0.54   4.31  83.50) = 100.000%  kept
          HB2   MET   96 - QG2   VAL   70   8.13 +/- 0.27   0.032% *  0.3488% (0.41   0.02   0.02) =   0.000%
        T QG    GLN   17 - QG2   VAL   70   8.95 +/- 0.66   0.020% *  0.4523% (0.53   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   VAL   70   8.29 +/- 0.57   0.031% *  0.1409% (0.17   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG2   VAL   70   9.34 +/- 0.24   0.014% *  0.0903% (0.11   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QG2   VAL   70  17.44 +/- 0.45   0.000% *  0.4317% (0.51   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   VAL   70  16.48 +/- 0.52   0.000% *  0.1138% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 791 (0.86, 0.19, 22.28 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.93, residual support = 83.5:
    * O T QG1   VAL   70 - QG2   VAL   70   2.05 +/- 0.06  99.160% * 98.4021% (0.54   4.93  83.50) =  99.997%  kept
          QD1   LEU   71 - QG2   VAL   70   5.32 +/- 0.31   0.357% *  0.3688% (0.50   0.02  31.30) =   0.001%
          HB3   LEU   63 - QG2   VAL   70   5.40 +/- 0.58   0.354% *  0.2262% (0.30   0.02   0.02) =   0.001%
          QG1   VAL   18 - QG2   VAL   70   7.73 +/- 0.79   0.047% *  0.3916% (0.53   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   70   7.79 +/- 0.92   0.041% *  0.3688% (0.50   0.02   0.02) =   0.000%
          HB3   LEU  104 - QG2   VAL   70   7.62 +/- 0.46   0.041% *  0.2423% (0.33   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 792 (0.19, 0.19, 22.28 ppm):
    1 diagonal assignment:
    *     QG2   VAL   70 - QG2   VAL   70  (0.43)  kept
 
    Peak 793 (4.65, 4.65, 54.05 ppm):
    1 diagonal assignment:
    *     HA    LEU   71 - HA    LEU   71  (1.00)  kept
 
    Peak 794 (1.80, 4.65, 54.05 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.31, residual support = 127.3:
    * O T HB2   LEU   71 - HA    LEU   71   2.90 +/- 0.10  98.827% * 98.3317% (1.00   5.31 127.31) =  99.998%  kept
          HB    VAL   41 - HA    LEU   71   6.95 +/- 1.00   0.896% *  0.1264% (0.34   0.02   2.75) =   0.001%
          HB3   GLN   17 - HA    LEU   71   8.65 +/- 0.67   0.161% *  0.2398% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LEU   71  10.45 +/- 0.40   0.048% *  0.3699% (1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LEU   71  10.25 +/- 0.51   0.055% *  0.1950% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   71  15.12 +/- 0.99   0.005% *  0.3578% (0.97   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   71  14.85 +/- 0.40   0.006% *  0.0825% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   71  19.93 +/- 0.59   0.001% *  0.2968% (0.80   0.02   0.02) =   0.000%
    Distance limit 5.20 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 = 127.3:
    * O T HB3   LEU   71 - HA    LEU   71   2.74 +/- 0.17  99.993% * 98.5254% (1.00   4.31 127.31) = 100.000%  kept
          QG2   THR   94 - HA    LEU   71  14.37 +/- 0.19   0.005% *  0.3317% (0.73   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LEU   71  17.84 +/- 0.39   0.001% *  0.1715% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    LEU   71  22.08 +/- 1.04   0.000% *  0.4528% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HA    LEU   71  22.59 +/- 0.58   0.000% *  0.3138% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LEU   71  23.87 +/- 0.39   0.000% *  0.2048% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 796 (0.86, 4.65, 54.05 ppm):
    6 chemical-shift based assignments, quality = 0.993, support = 4.08, residual support = 118.4:
    *   T QD1   LEU   71 - HA    LEU   71   3.66 +/- 0.29  89.288% * 47.5432% (1.00   4.01 127.31) =  90.730%  kept
          QG1   VAL   70 - HA    LEU   71   5.54 +/- 0.26   8.374% * 51.7435% (0.92   4.73  31.30) =   9.261%  kept
          QG1   VAL   18 - HA    LEU   71   7.52 +/- 0.81   1.752% *  0.1978% (0.84   0.02   0.02) =   0.007%
          HB3   LEU   63 - HA    LEU   71   8.99 +/- 0.77   0.483% *  0.0808% (0.34   0.02   0.02) =   0.001%
          QD1   LEU  123 - HA    LEU   71  12.41 +/- 1.09   0.073% *  0.2369% (1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU   71  14.17 +/- 0.62   0.030% *  0.1978% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 127.3:
    *   T QD2   LEU   71 - HA    LEU   71   2.08 +/- 0.30  98.716% * 98.4406% (1.00   5.00 127.31) =  99.998%  kept
          QD1   LEU   67 - HA    LEU   71   5.76 +/- 1.67   1.206% *  0.1765% (0.45   0.02   0.02) =   0.002%
          QD2   LEU   40 - HA    LEU   71   7.42 +/- 0.61   0.068% *  0.1619% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    LEU   71  12.13 +/- 0.81   0.004% *  0.2705% (0.69   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    LEU   71  12.43 +/- 0.50   0.003% *  0.3416% (0.87   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    LEU   71  13.76 +/- 0.70   0.002% *  0.3860% (0.98   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    LEU   71  13.72 +/- 0.18   0.002% *  0.2229% (0.57   0.02   0.02) =   0.000%
    Distance limit 5.25 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 = 127.3:
    * O T HA    LEU   71 - HB2   LEU   71   2.90 +/- 0.10  99.790% * 99.7751% (1.00   5.31 127.31) = 100.000%  kept
          HA    VAL   43 - HB2   LEU   71   8.43 +/- 0.59   0.190% *  0.0837% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - HB2   LEU   71  12.15 +/- 0.78   0.021% *  0.1412% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 127.3:
    * O T HB3   LEU   71 - HB2   LEU   71   1.75 +/- 0.00  99.999% * 98.7189% (1.00   4.97 127.31) = 100.000%  kept
          QG2   THR   94 - HB2   LEU   71  14.04 +/- 0.43   0.000% *  0.2882% (0.73   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LEU   71  16.83 +/- 0.74   0.000% *  0.1490% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB2   LEU   71  23.64 +/- 0.95   0.000% *  0.3934% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB2   LEU   71  23.94 +/- 0.61   0.000% *  0.2726% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LEU   71  24.45 +/- 0.62   0.000% *  0.1779% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 801 (0.86, 1.80, 44.15 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 127.3:
    * O T QD1   LEU   71 - HB2   LEU   71   2.36 +/- 0.14  99.601% * 98.4400% (1.00   4.97 127.31) =  99.999%  kept
          QG1   VAL   70 - HB2   LEU   71   6.17 +/- 0.32   0.319% *  0.3660% (0.92   0.02  31.30) =   0.001%
          QG1   VAL   18 - HB2   LEU   71   8.79 +/- 1.00   0.060% *  0.3312% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU   71  10.61 +/- 0.72   0.014% *  0.1352% (0.34   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU   71  13.63 +/- 1.12   0.003% *  0.3965% (1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU   71  13.48 +/- 0.64   0.003% *  0.3312% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 127.3:
    * O T QD2   LEU   71 - HB2   LEU   71   3.15 +/- 0.21  97.132% * 98.5648% (1.00   5.44 127.31) =  99.995%  kept
          QD2   LEU   40 - HB2   LEU   71   6.62 +/- 0.68   1.529% *  0.1490% (0.41   0.02   0.02) =   0.002%
          QD1   LEU   67 - HB2   LEU   71   7.31 +/- 1.22   1.246% *  0.1625% (0.45   0.02   0.02) =   0.002%
          QD1   ILE  103 - HB2   LEU   71  12.45 +/- 0.80   0.032% *  0.3552% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   71  13.17 +/- 1.08   0.022% *  0.2490% (0.69   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   71  12.74 +/- 0.26   0.023% *  0.2052% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LEU   71  13.77 +/- 0.48   0.015% *  0.3144% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 127.3:
    * O T HA    LEU   71 - HB3   LEU   71   2.74 +/- 0.17  99.852% * 99.7235% (1.00   4.31 127.31) = 100.000%  kept
          HA    VAL   43 - HB3   LEU   71   8.89 +/- 0.93   0.133% *  0.1029% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - HB3   LEU   71  12.33 +/- 0.74   0.014% *  0.1735% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 127.3:
    * O T HB2   LEU   71 - HB3   LEU   71   1.75 +/- 0.00  98.956% * 98.2229% (1.00   4.97 127.31) =  99.999%  kept
          HB    VAL   41 - HB3   LEU   71   5.34 +/- 1.32   1.039% *  0.1347% (0.34   0.02   2.75) =   0.001%
          HB3   GLN   17 - HB3   LEU   71  10.91 +/- 0.80   0.002% *  0.2555% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB3   LEU   71  12.68 +/- 0.42   0.001% *  0.3940% (1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB3   LEU   71  12.10 +/- 0.51   0.001% *  0.2078% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   LEU   71  13.83 +/- 1.22   0.000% *  0.3811% (0.97   0.02   0.02) =   0.000%
        T HG12  ILE  103 - HB3   LEU   71  13.69 +/- 0.84   0.000% *  0.0879% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   LEU   71  20.96 +/- 0.61   0.000% *  0.3162% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 3.7, residual support = 127.3:
    * O T QD1   LEU   71 - HB3   LEU   71   2.45 +/- 0.32  99.352% * 97.9182% (1.00   3.70 127.31) =  99.997%  kept
          QG1   VAL   70 - HB3   LEU   71   6.18 +/- 0.36   0.545% *  0.4884% (0.92   0.02  31.30) =   0.003%
          QG1   VAL   18 - HB3   LEU   71   8.90 +/- 0.88   0.075% *  0.4419% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU   71  10.73 +/- 0.75   0.020% *  0.1805% (0.34   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB3   LEU   71  13.65 +/- 1.09   0.005% *  0.5291% (1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU   71  13.79 +/- 0.96   0.004% *  0.4419% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 127.3:
    * O T QD2   LEU   71 - HB3   LEU   71   2.51 +/- 0.20  99.300% * 98.2477% (1.00   4.44 127.31) =  99.999%  kept
          QD1   LEU   67 - HB3   LEU   71   7.35 +/- 1.31   0.345% *  0.1984% (0.45   0.02   0.02) =   0.001%
          QD2   LEU   40 - HB3   LEU   71   6.90 +/- 0.81   0.334% *  0.1819% (0.41   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB3   LEU   71  12.87 +/- 0.94   0.006% *  0.4337% (0.98   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB3   LEU   71  13.82 +/- 0.51   0.004% *  0.3838% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LEU   71  13.39 +/- 0.82   0.005% *  0.3039% (0.69   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB3   LEU   71  13.12 +/- 0.64   0.005% *  0.2505% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 808 (4.65, 0.86, 26.50 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.01, residual support = 127.3:
    *   T HA    LEU   71 - QD1   LEU   71   3.66 +/- 0.29  98.528% * 99.7030% (1.00   4.01 127.31) =  99.998%  kept
          HA    VAL   43 - QD1   LEU   71   8.13 +/- 1.01   1.191% *  0.1106% (0.22   0.02   0.02) =   0.001%
          HA    ALA   20 - QD1   LEU   71   9.91 +/- 0.97   0.281% *  0.1864% (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 = 4.97, residual support = 127.3:
    * O T HB2   LEU   71 - QD1   LEU   71   2.36 +/- 0.14  97.455% * 98.2198% (1.00   4.97 127.31) =  99.996%  kept
          HB    VAL   41 - QD1   LEU   71   5.32 +/- 1.08   2.486% *  0.1349% (0.34   0.02   2.75) =   0.004%
          HB3   GLN   17 - QD1   LEU   71   9.26 +/- 0.88   0.034% *  0.2559% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD1   LEU   71  11.69 +/- 0.59   0.007% *  0.3947% (1.00   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD1   LEU   71  12.51 +/- 1.04   0.005% *  0.3818% (0.97   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD1   LEU   71  11.59 +/- 0.59   0.008% *  0.2081% (0.53   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU   71  12.44 +/- 0.65   0.005% *  0.0881% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD1   LEU   71  18.52 +/- 1.17   0.000% *  0.3168% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.01 A, kept.
 
    Peak 810 (1.20, 0.86, 26.50 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.7, residual support = 127.3:
    * O T HB3   LEU   71 - QD1   LEU   71   2.45 +/- 0.32  99.985% * 98.2858% (1.00   3.70 127.31) = 100.000%  kept
          QG2   THR   94 - QD1   LEU   71  12.90 +/- 0.76   0.010% *  0.3856% (0.73   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD1   LEU   71  15.00 +/- 0.90   0.004% *  0.1993% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   LEU   71  21.37 +/- 1.07   0.000% *  0.5264% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD1   LEU   71  21.69 +/- 1.08   0.000% *  0.3648% (0.69   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   LEU   71  22.02 +/- 1.00   0.000% *  0.2381% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 4.14, residual support = 127.3:
    * O T QD2   LEU   71 - QD1   LEU   71   2.02 +/- 0.06  99.842% * 98.1236% (1.00   4.14 127.31) = 100.000%  kept
          QD1   LEU   67 - QD1   LEU   71   7.48 +/- 1.32   0.079% *  0.2124% (0.45   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   LEU   71   7.11 +/- 0.72   0.068% *  0.1948% (0.41   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   LEU   71  11.55 +/- 0.74   0.003% *  0.4644% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   LEU   71  11.40 +/- 1.06   0.004% *  0.3255% (0.69   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   LEU   71  12.04 +/- 0.54   0.002% *  0.2683% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD1   LEU   71  13.05 +/- 0.68   0.001% *  0.4110% (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 = 127.3:
    *   T HA    LEU   71 - QD2   LEU   71   2.08 +/- 0.30  99.813% * 99.7614% (1.00   5.00 127.31) = 100.000%  kept
          HA    VAL   43 - QD2   LEU   71   7.98 +/- 0.98   0.154% *  0.0888% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - QD2   LEU   71   8.99 +/- 0.91   0.032% *  0.1498% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 127.3:
    * O T HB2   LEU   71 - QD2   LEU   71   3.15 +/- 0.21  96.189% * 98.3722% (1.00   5.44 127.31) =  99.993%  kept
          HB    VAL   41 - QD2   LEU   71   6.38 +/- 1.08   2.483% *  0.1234% (0.34   0.02   2.75) =   0.003%
          HB3   GLN   17 - QD2   LEU   71   7.09 +/- 0.89   1.069% *  0.2340% (0.65   0.02   0.02) =   0.003%
          QB    LYS+  65 - QD2   LEU   71   9.82 +/- 0.54   0.119% *  0.3609% (1.00   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU   71  10.08 +/- 0.54   0.102% *  0.1903% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QD2   LEU   71  13.53 +/- 0.96   0.017% *  0.3491% (0.97   0.02   0.02) =   0.000%
        T HG12  ILE  103 - QD2   LEU   71  13.35 +/- 0.68   0.017% *  0.0805% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU   71  17.65 +/- 0.89   0.003% *  0.2896% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 127.3:
    * O T HB3   LEU   71 - QD2   LEU   71   2.51 +/- 0.20  99.988% * 98.5671% (1.00   4.44 127.31) = 100.000%  kept
          QG2   THR   94 - QD2   LEU   71  12.83 +/- 0.74   0.008% *  0.3224% (0.73   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD2   LEU   71  15.39 +/- 0.94   0.003% *  0.1666% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD2   LEU   71  19.91 +/- 1.06   0.000% *  0.4400% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - QD2   LEU   71  20.39 +/- 0.51   0.000% *  0.3049% (0.69   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD2   LEU   71  21.25 +/- 0.68   0.000% *  0.1990% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 1 structures by 0.03 A, kept.
 
    Peak 816 (0.86, 0.96, 23.45 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.14, residual support = 127.3:
    * O T QD1   LEU   71 - QD2   LEU   71   2.02 +/- 0.06  99.655% * 98.1354% (1.00   4.14 127.31) =  99.999%  kept
          QG1   VAL   70 - QD2   LEU   71   6.09 +/- 0.57   0.175% *  0.4374% (0.92   0.02  31.30) =   0.001%
          QG1   VAL   18 - QD2   LEU   71   6.44 +/- 0.87   0.153% *  0.3958% (0.84   0.02   0.02) =   0.001%
          HB3   LEU   63 - QD2   LEU   71   9.23 +/- 0.77   0.012% *  0.1616% (0.34   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD2   LEU   71  11.91 +/- 0.98   0.003% *  0.4739% (1.00   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU   71  13.42 +/- 0.69   0.001% *  0.3958% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.44 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 = 83.9:
    * O T HB2   PHE   72 - HA    PHE   72   2.96 +/- 0.20  98.257% * 99.2970% (0.64   3.73  83.88) =  99.992%  kept
          HA    ALA   64 - HA    PHE   72   5.91 +/- 0.27   1.709% *  0.4635% (0.55   0.02  40.22) =   0.008%
          HB3   ASN   69 - HA    PHE   72  11.33 +/- 0.46   0.034% *  0.2396% (0.29   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 4.6, residual support = 83.9:
    * O T HB3   PHE   72 - HA    PHE   72   2.72 +/- 0.21  99.101% * 97.5235% (0.66   4.60  83.88) =  99.996%  kept
          HB2   ASP-  44 - HA    PHE   72   6.41 +/- 0.37   0.666% *  0.4626% (0.72   0.02   0.02) =   0.003%
          QG    GLU-  15 - HA    PHE   72   8.92 +/- 1.40   0.140% *  0.4847% (0.76   0.02   0.02) =   0.001%
          QG    GLU-  14 - HA    PHE   72  11.33 +/- 2.02   0.068% *  0.4514% (0.71   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    PHE   72  12.70 +/- 0.78   0.011% *  0.2192% (0.34   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    PHE   72  16.26 +/- 0.82   0.002% *  0.3916% (0.61   0.02   0.02) =   0.000%
          QB    MET   11 - HA    PHE   72  18.40 +/- 2.37   0.002% *  0.3916% (0.61   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    PHE   72  13.06 +/- 0.45   0.009% *  0.0755% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 3.73, residual support = 83.9:
    * O T HA    PHE   72 - HB2   PHE   72   2.96 +/- 0.20 100.000% *100.0000% (0.64   3.73  83.88) = 100.000%  kept
    Distance limit 3.93 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 = 3.58, residual support = 83.9:
    * O T HB3   PHE   72 - HB2   PHE   72   1.75 +/- 0.00  99.906% * 96.8395% (0.72   3.58  83.88) =  99.999%  kept
          HB2   ASP-  44 - HB2   PHE   72   6.47 +/- 0.77   0.057% *  0.5903% (0.79   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   PHE   72   9.98 +/- 1.82   0.019% *  0.5761% (0.77   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   PHE   72   8.05 +/- 1.23   0.017% *  0.6186% (0.83   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   PHE   72  12.54 +/- 0.85   0.001% *  0.2798% (0.37   0.02   0.02) =   0.000%
          QB    MET   11 - HB2   PHE   72  17.53 +/- 2.02   0.000% *  0.4997% (0.67   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   PHE   72  17.49 +/- 1.07   0.000% *  0.4997% (0.67   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   PHE   72  14.00 +/- 0.58   0.000% *  0.0963% (0.13   0.02   0.02) =   0.000%
    Distance limit 2.70 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 = 4.6, residual support = 83.9:
    * O T HA    PHE   72 - HB3   PHE   72   2.72 +/- 0.21 100.000% *100.0000% (0.66   4.60  83.88) = 100.000%  kept
    Distance limit 3.63 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 = 3.58, residual support = 83.9:
    * O T HB2   PHE   72 - HB3   PHE   72   1.75 +/- 0.00  99.524% * 99.2682% (0.72   3.58  83.88) =  99.998%  kept
          HA    ALA   64 - HB3   PHE   72   4.47 +/- 0.47   0.475% *  0.4824% (0.63   0.02  40.22) =   0.002%
          HB3   ASN   69 - HB3   PHE   72  11.87 +/- 0.69   0.001% *  0.2493% (0.33   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 164.2:
    * O T HB2   LEU   73 - HA    LEU   73   2.95 +/- 0.06  99.954% * 97.6842% (1.00   5.00 164.19) = 100.000%  kept
          QD    LYS+  99 - HA    LEU   73  14.11 +/- 0.40   0.009% *  0.3607% (0.92   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    LEU   73  15.61 +/- 1.01   0.005% *  0.3696% (0.95   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    LEU   73  12.86 +/- 0.31   0.015% *  0.1206% (0.31   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU   73  15.61 +/- 0.62   0.005% *  0.2370% (0.61   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU   73  17.20 +/- 0.64   0.003% *  0.3771% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    LEU   73  14.79 +/- 0.88   0.007% *  0.0870% (0.22   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LEU   73  20.40 +/- 0.86   0.001% *  0.2528% (0.65   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU   73  18.88 +/- 0.49   0.002% *  0.1606% (0.41   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU   73  22.76 +/- 0.73   0.000% *  0.3504% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 164.2:
    * O T HB3   LEU   73 - HA    LEU   73   2.28 +/- 0.05  97.523% * 96.7713% (1.00   5.00 164.19) =  99.998%  kept
          HB3   LYS+  74 - HA    LEU   73   4.33 +/- 0.25   2.310% *  0.0678% (0.18   0.02  43.90) =   0.002%
          HB    VAL   42 - HA    LEU   73   7.13 +/- 0.58   0.119% *  0.3837% (0.99   0.02   2.83) =   0.000%
          HG3   LYS+  33 - HA    LEU   73  10.49 +/- 0.49   0.011% *  0.3736% (0.97   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   73  14.03 +/- 2.19   0.008% *  0.2504% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   73  12.43 +/- 0.67   0.004% *  0.3837% (0.99   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LEU   73  11.01 +/- 0.36   0.008% *  0.1453% (0.38   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LEU   73  11.19 +/- 0.41   0.007% *  0.1320% (0.34   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LEU   73  11.70 +/- 0.61   0.006% *  0.0965% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LEU   73  13.68 +/- 0.67   0.002% *  0.1453% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LEU   73  16.10 +/- 0.87   0.001% *  0.3573% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LEU   73  19.61 +/- 0.89   0.000% *  0.3862% (1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LEU   73  21.58 +/- 0.36   0.000% *  0.3794% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LEU   73  19.43 +/- 0.81   0.000% *  0.0678% (0.18   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    LEU   73  19.68 +/- 0.77   0.000% *  0.0597% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 164.2:
    *   T QD1   LEU   73 - HA    LEU   73   3.86 +/- 0.11  97.964% * 98.4471% (1.00   5.00 164.19) =  99.994%  kept
          QD2   LEU   80 - HA    LEU   73   8.47 +/- 0.60   0.954% *  0.3153% (0.80   0.02   0.02) =   0.003%
        T QD1   LEU   63 - HA    LEU   73   9.35 +/- 0.51   0.531% *  0.3938% (1.00   0.02   0.02) =   0.002%
          QD2   LEU   63 - HA    LEU   73  10.72 +/- 0.57   0.234% *  0.2229% (0.57   0.02   0.02) =   0.001%
          QG1   VAL   83 - HA    LEU   73  10.85 +/- 0.64   0.213% *  0.0690% (0.18   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU   73  14.08 +/- 0.47   0.043% *  0.3289% (0.84   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HA    LEU   73  13.33 +/- 0.55   0.061% *  0.2229% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 831 (0.78, 5.57, 52.40 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.9, residual support = 164.2:
    *   T QD2   LEU   73 - HA    LEU   73   2.36 +/- 0.60  98.961% * 99.0162% (1.00   5.90 164.19) =  99.999%  kept
          QG1   VAL   43 - HA    LEU   73   6.10 +/- 0.66   0.763% *  0.0934% (0.28   0.02   8.15) =   0.001%
          HG    LEU   31 - HA    LEU   73   8.61 +/- 0.67   0.108% *  0.3241% (0.97   0.02   3.24) =   0.000%
          QG1   VAL   41 - HA    LEU   73   7.89 +/- 0.34   0.162% *  0.1506% (0.45   0.02   0.95) =   0.000%
          QD1   ILE   56 - HA    LEU   73  13.81 +/- 0.26   0.006% *  0.3012% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LEU   73  19.81 +/- 0.51   0.001% *  0.1146% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 5 structures by 0.11 A, kept.
 
    Peak 832 (5.57, 1.70, 46.21 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 5.0, residual support = 164.2:
    * O T HA    LEU   73 - HB2   LEU   73   2.95 +/- 0.06 100.000% *100.0000% (1.00   5.00 164.19) = 100.000%  kept
    Distance limit 4.18 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 = 164.2:
    * O T HB3   LEU   73 - HB2   LEU   73   1.75 +/- 0.00  99.881% * 96.7713% (1.00   5.00 164.19) = 100.000%  kept
          HB    VAL   42 - HB2   LEU   73   7.13 +/- 0.49   0.024% *  0.3837% (0.99   0.02   2.83) =   0.000%
          HB3   LYS+  74 - HB2   LEU   73   5.85 +/- 0.26   0.075% *  0.0678% (0.18   0.02  43.90) =   0.000%
        T HG3   LYS+  33 - HB2   LEU   73  10.46 +/- 0.50   0.002% *  0.3736% (0.97   0.02   0.02) =   0.000%
          QB    LEU   98 - HB2   LEU   73   9.13 +/- 0.49   0.005% *  0.1453% (0.38   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LEU   73   9.39 +/- 0.39   0.004% *  0.1320% (0.34   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LEU   73   9.42 +/- 0.78   0.005% *  0.0965% (0.25   0.02   0.02) =   0.000%
          QB    ALA   12 - HB2   LEU   73  15.71 +/- 2.43   0.001% *  0.2504% (0.65   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB2   LEU   73  14.28 +/- 0.94   0.000% *  0.3573% (0.92   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB2   LEU   73  14.80 +/- 0.55   0.000% *  0.3837% (0.99   0.02   0.02) =   0.000%
        T HB3   PRO   93 - HB2   LEU   73  13.25 +/- 0.62   0.001% *  0.1453% (0.38   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB2   LEU   73  17.52 +/- 0.96   0.000% *  0.3862% (1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB2   LEU   73  21.74 +/- 0.41   0.000% *  0.3794% (0.98   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HB2   LEU   73  19.04 +/- 0.72   0.000% *  0.0597% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LEU   73  19.97 +/- 0.85   0.000% *  0.0678% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.79 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 = 164.2:
    * O T QD1   LEU   73 - HB2   LEU   73   2.44 +/- 0.12  99.689% * 98.4470% (1.00   5.00 164.19) =  99.999%  kept
          QD2   LEU   80 - HB2   LEU   73   7.11 +/- 0.65   0.204% *  0.3153% (0.80   0.02   0.02) =   0.001%
        T QD1   LEU   63 - HB2   LEU   73   9.63 +/- 0.57   0.031% *  0.3938% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU   73   8.80 +/- 0.57   0.054% *  0.0690% (0.18   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   73  11.19 +/- 0.68   0.013% *  0.2230% (0.57   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB2   LEU   73  12.53 +/- 0.66   0.007% *  0.2230% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU   73  14.38 +/- 0.49   0.003% *  0.3289% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 0.977, support = 5.76, residual support = 160.4:
    * O T QD2   LEU   73 - HB2   LEU   73   3.00 +/- 0.33  73.876% * 92.6195% (1.00   5.90 164.19) =  97.710%  kept
          QG1   VAL   43 - HB2   LEU   73   4.00 +/- 0.84  24.429% *  6.5476% (0.28   1.50   8.15) =   2.284%
          HG    LEU   31 - HB2   LEU   73   6.44 +/- 0.61   1.036% *  0.3032% (0.97   0.02   3.24) =   0.004%
          QG1   VAL   41 - HB2   LEU   73   6.76 +/- 0.45   0.650% *  0.1408% (0.45   0.02   0.95) =   0.001%
        T QD1   ILE   56 - HB2   LEU   73  13.90 +/- 0.20   0.008% *  0.2817% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB2   LEU   73  19.16 +/- 0.60   0.001% *  0.1072% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 164.2:
    * O T HA    LEU   73 - HB3   LEU   73   2.28 +/- 0.05 100.000% *100.0000% (1.00   5.00 164.19) = 100.000%  kept
    Distance limit 3.82 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 = 164.2:
    * O T HB2   LEU   73 - HB3   LEU   73   1.75 +/- 0.00  99.998% * 97.6842% (1.00   5.00 164.19) = 100.000%  kept
          QD    LYS+  99 - HB3   LEU   73  14.23 +/- 0.39   0.000% *  0.3607% (0.92   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU   73  15.31 +/- 1.16   0.000% *  0.3696% (0.95   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB3   LEU   73  13.89 +/- 0.25   0.000% *  0.1206% (0.31   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU   73  17.45 +/- 0.67   0.000% *  0.3771% (0.97   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU   73  16.37 +/- 0.59   0.000% *  0.2370% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   LEU   73  14.66 +/- 0.80   0.000% *  0.0870% (0.22   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB3   LEU   73  18.13 +/- 0.55   0.000% *  0.1606% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB3   LEU   73  21.82 +/- 0.80   0.000% *  0.2528% (0.65   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU   73  23.53 +/- 0.91   0.000% *  0.3504% (0.90   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 4.84, residual support = 164.2:
    * O T QD1   LEU   73 - HB3   LEU   73   2.23 +/- 0.11  99.846% * 98.3968% (1.00   4.84 164.19) = 100.000%  kept
        T QD2   LEU   80 - HB3   LEU   73   7.07 +/- 0.68   0.113% *  0.3255% (0.80   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HB3   LEU   73  10.51 +/- 0.54   0.010% *  0.4065% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU   73   9.15 +/- 0.72   0.023% *  0.0712% (0.18   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   LEU   73  11.97 +/- 0.62   0.005% *  0.2302% (0.57   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   73  13.48 +/- 0.58   0.002% *  0.2302% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   73  15.29 +/- 0.45   0.001% *  0.3396% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 164.2:
    * O T QD2   LEU   73 - HB3   LEU   73   2.70 +/- 0.29  95.972% * 99.0162% (1.00   5.90 164.19) =  99.994%  kept
        T QG1   VAL   43 - HB3   LEU   73   5.34 +/- 0.80   3.069% *  0.0934% (0.28   0.02   8.15) =   0.003%
          HG    LEU   31 - HB3   LEU   73   6.55 +/- 0.51   0.635% *  0.3241% (0.97   0.02   3.24) =   0.002%
          QG1   VAL   41 - HB3   LEU   73   7.26 +/- 0.37   0.319% *  0.1506% (0.45   0.02   0.95) =   0.001%
          QD1   ILE   56 - HB3   LEU   73  14.84 +/- 0.21   0.004% *  0.3012% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HB3   LEU   73  20.49 +/- 0.51   0.001% *  0.1146% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 164.2:
    *   T HA    LEU   73 - QD1   LEU   73   3.86 +/- 0.11  99.400% * 99.5046% (1.00   5.00 164.19) =  99.998%  kept
        T HA    LEU   73 - QD1   LEU   63   9.35 +/- 0.51   0.539% *  0.3980% (1.00   0.02   0.02) =   0.002%
        T HA    LEU   73 - QD1   LEU  104  13.33 +/- 0.55   0.062% *  0.0974% (0.24   0.02   0.02) =   0.000%
    Distance limit 4.95 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 = 0.847, support = 4.35, residual support = 135.4:
    * O T HB2   LEU   73 - QD1   LEU   73   2.44 +/- 0.12  18.616% * 88.0691% (1.00   5.00 164.19) =  80.213%  kept
          QD    LYS+  99 - QD1   LEU  104   2.01 +/- 0.30  58.675% *  6.8849% (0.23   1.73  18.76) =  19.765%  kept
        T HB3   LYS+  99 - QD1   LEU  104   2.41 +/- 0.34  22.456% *  0.0192% (0.05   0.02  18.76) =   0.021%
          QG1   ILE   56 - QD1   LEU   63   5.47 +/- 0.39   0.154% *  0.1087% (0.31   0.02   0.02) =   0.001%
          HB2   LEU  123 - QD1   LEU   63   8.48 +/- 0.59   0.012% *  0.2279% (0.65   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   LEU   63   9.17 +/- 0.50   0.007% *  0.3252% (0.92   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU   63   9.31 +/- 0.52   0.006% *  0.3333% (0.95   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   LEU   63   9.63 +/- 0.57   0.005% *  0.3523% (1.00   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  104   7.90 +/- 0.54   0.018% *  0.0816% (0.23   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  104   7.25 +/- 0.68   0.026% *  0.0355% (0.10   0.02   0.38) =   0.000%
          QD    LYS+  99 - QD1   LEU   73  10.64 +/- 0.39   0.003% *  0.3252% (0.92   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   63  10.28 +/- 0.45   0.003% *  0.2137% (0.61   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU   73  12.15 +/- 1.18   0.001% *  0.3333% (0.95   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   63  11.93 +/- 0.34   0.001% *  0.3400% (0.97   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   63  12.02 +/- 0.78   0.001% *  0.3160% (0.90   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   63  10.09 +/- 0.77   0.004% *  0.0784% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   LEU   73  10.73 +/- 0.65   0.003% *  0.0784% (0.22   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU  104  10.42 +/- 0.70   0.003% *  0.0558% (0.16   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU   73  12.70 +/- 0.29   0.001% *  0.1087% (0.31   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   73  13.52 +/- 0.56   0.001% *  0.1448% (0.41   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU   73  15.65 +/- 0.57   0.000% *  0.3400% (0.97   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   LEU  104  12.53 +/- 0.66   0.001% *  0.0862% (0.24   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU   63  14.06 +/- 0.44   0.000% *  0.1448% (0.41   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU   73  15.14 +/- 0.52   0.000% *  0.2137% (0.61   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD1   LEU   73  18.34 +/- 0.69   0.000% *  0.2279% (0.65   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD1   LEU  104  12.92 +/- 0.40   0.001% *  0.0266% (0.08   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU   73  20.46 +/- 0.70   0.000% *  0.3160% (0.90   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  104  17.99 +/- 0.73   0.000% *  0.0832% (0.24   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  104  17.74 +/- 0.65   0.000% *  0.0773% (0.22   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  104  17.94 +/- 0.50   0.000% *  0.0523% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 4.84, residual support = 164.2:
    * O T HB3   LEU   73 - QD1   LEU   73   2.23 +/- 0.11  96.092% * 92.3786% (1.00   4.84 164.19) =  99.990%  kept
          HB    VAL   42 - QD1   LEU   63   4.76 +/- 0.66   1.785% *  0.3783% (0.99   0.02   0.02) =   0.008%
          HG3   LYS+  33 - QD1   LEU   73   6.41 +/- 0.36   0.193% *  0.3683% (0.97   0.02   0.02) =   0.001%
          HB    VAL   42 - QD1   LEU   73   6.82 +/- 0.31   0.132% *  0.3783% (0.99   0.02   2.83) =   0.001%
          QB    LEU   98 - QD1   LEU   73   6.95 +/- 0.45   0.120% *  0.1432% (0.38   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU  104   5.79 +/- 0.43   0.395% *  0.0351% (0.09   0.02   4.66) =   0.000%
          HG3   LYS+  65 - QD1   LEU   63   8.79 +/- 0.33   0.027% *  0.3783% (0.99   0.02   1.23) =   0.000%
          HG    LEU   98 - QD1   LEU   73   7.51 +/- 0.88   0.090% *  0.0952% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   63   9.00 +/- 0.38   0.024% *  0.3523% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU  104   7.54 +/- 0.77   0.088% *  0.0932% (0.24   0.02   0.38) =   0.000%
          HB3   LYS+  74 - QD1   LEU   73   6.86 +/- 0.10   0.118% *  0.0668% (0.18   0.02  43.90) =   0.000%
          HD3   LYS+ 121 - QD1   LEU  104   6.35 +/- 1.29   0.486% *  0.0144% (0.04   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   63   8.27 +/- 0.37   0.040% *  0.1432% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU  104   7.66 +/- 0.35   0.063% *  0.0862% (0.23   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU  104   7.88 +/- 0.54   0.055% *  0.0926% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   63  10.40 +/- 0.70   0.011% *  0.3741% (0.98   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD1   LEU   63  10.51 +/- 0.54   0.010% *  0.3817% (1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   73   8.88 +/- 0.42   0.027% *  0.1302% (0.34   0.02   0.02) =   0.000%
          QB    LEU   98 - QD1   LEU   63   9.49 +/- 0.52   0.018% *  0.1432% (0.38   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   73  12.33 +/- 2.14   0.010% *  0.2469% (0.65   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   63   8.50 +/- 0.74   0.039% *  0.0589% (0.15   0.02   0.02) =   0.000%
          HG    LEU   98 - QD1   LEU  104   7.38 +/- 0.80   0.095% *  0.0233% (0.06   0.02   4.66) =   0.000%
          HG    LEU   98 - QD1   LEU   63  10.04 +/- 0.84   0.014% *  0.0952% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD1   LEU   73  12.63 +/- 1.01   0.004% *  0.3523% (0.92   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   63   9.92 +/- 0.52   0.014% *  0.0668% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   73  13.74 +/- 0.89   0.002% *  0.3808% (1.00   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   63  10.20 +/- 0.43   0.011% *  0.0668% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   73  13.66 +/- 0.54   0.002% *  0.3783% (0.99   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU   63  12.09 +/- 0.34   0.004% *  0.1302% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   63  15.07 +/- 0.96   0.001% *  0.3683% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD1   LEU   63  15.11 +/- 0.83   0.001% *  0.3808% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU   73  13.35 +/- 0.57   0.002% *  0.1432% (0.38   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU  104   9.58 +/- 0.70   0.017% *  0.0164% (0.04   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD1   LEU  104  13.48 +/- 0.58   0.002% *  0.0934% (0.24   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU  104  13.61 +/- 1.02   0.002% *  0.0902% (0.24   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   63  17.10 +/- 1.25   0.001% *  0.2469% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU  104  15.85 +/- 0.54   0.001% *  0.0926% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU   73  20.26 +/- 0.38   0.000% *  0.3741% (0.98   0.02   0.02) =   0.000%
          QB    ALA   84 - QD1   LEU  104  14.75 +/- 0.40   0.001% *  0.0319% (0.08   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   73  16.54 +/- 0.79   0.001% *  0.0589% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - QD1   LEU   73  16.99 +/- 0.77   0.001% *  0.0668% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD1   LEU  104  17.94 +/- 0.35   0.000% *  0.0916% (0.24   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD1   LEU  104  15.63 +/- 0.50   0.001% *  0.0351% (0.09   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU  104  18.83 +/- 1.58   0.000% *  0.0604% (0.16   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU  104  15.87 +/- 0.77   0.001% *  0.0164% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.69 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 = 0.999, support = 5.79, residual support = 159.6:
    * O T QD2   LEU   73 - QD1   LEU   73   1.95 +/- 0.04  86.792% * 71.6059% (1.00   5.90 164.19) =  97.137%  kept
          HG    LEU   31 - QD1   LEU   73   3.58 +/- 0.68   6.835% * 26.7292% (0.97   2.28   3.24) =   2.856%  kept
          QG1   VAL   43 - QD1   LEU   73   3.60 +/- 0.73   5.123% *  0.0675% (0.28   0.02   8.15) =   0.005%
        T QG1   VAL   41 - QD1   LEU   73   4.31 +/- 0.33   0.853% *  0.1089% (0.45   0.02   0.95) =   0.001%
          QD1   ILE   56 - QD1   LEU   63   5.97 +/- 0.49   0.119% *  0.2178% (0.90   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD1   LEU   63   7.96 +/- 0.82   0.025% *  0.2429% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.21 +/- 0.40   0.039% *  0.0675% (0.28   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU  104   6.42 +/- 0.49   0.079% *  0.0267% (0.11   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU  104   6.43 +/- 0.47   0.078% *  0.0203% (0.08   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63   8.88 +/- 0.57   0.011% *  0.1089% (0.45   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   63   8.50 +/- 0.60   0.014% *  0.0828% (0.34   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   7.86 +/- 0.50   0.022% *  0.0165% (0.07   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD1   LEU  104   9.80 +/- 0.78   0.006% *  0.0594% (0.24   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU   73  13.42 +/- 0.25   0.001% *  0.2178% (0.90   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU   63  13.84 +/- 0.95   0.001% *  0.2344% (0.97   0.02   0.02) =   0.000%
          HG    LEU   31 - QD1   LEU  104  13.35 +/- 1.24   0.001% *  0.0574% (0.24   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD1   LEU  104  12.88 +/- 0.32   0.001% *  0.0533% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD1   LEU   73  16.67 +/- 0.53   0.000% *  0.0828% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.45 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 = 5.9, residual support = 164.2:
    *   T HA    LEU   73 - QD2   LEU   73   2.36 +/- 0.60  99.999% * 99.8845% (1.00   5.90 164.19) = 100.000%  kept
        T HA    LEU   73 - HG3   LYS+ 121  19.81 +/- 0.51   0.001% *  0.1155% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.06 A, kept.
 
    Peak 848 (1.70, 0.78, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.9, residual support = 164.2:
    * O T HB2   LEU   73 - QD2   LEU   73   3.00 +/- 0.33  98.950% * 97.2656% (1.00   5.90 164.19) =  99.999%  kept
          QD    LYS+ 106 - HG3   LYS+ 121   9.24 +/- 1.56   0.252% *  0.1064% (0.32   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HG3   LYS+ 121   8.22 +/- 0.85   0.323% *  0.0728% (0.22   0.02   2.42) =   0.000%
          QD    LYS+  99 - QD2   LEU   73  10.14 +/- 0.63   0.071% *  0.3045% (0.92   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 121   9.24 +/- 0.47   0.146% *  0.1038% (0.31   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU   73  12.40 +/- 1.67   0.022% *  0.3121% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD2   LEU   73  10.51 +/- 0.91   0.061% *  0.0734% (0.22   0.02   0.02) =   0.000%
        T QG1   ILE   56 - QD2   LEU   73  11.69 +/- 0.84   0.029% *  0.1018% (0.31   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+ 121  10.65 +/- 0.73   0.068% *  0.0250% (0.08   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU   73  15.53 +/- 1.21   0.005% *  0.3184% (0.97   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.51 +/- 1.05   0.008% *  0.2001% (0.61   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  14.18 +/- 0.99   0.009% *  0.1356% (0.41   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  12.90 +/- 1.02   0.024% *  0.0462% (0.14   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  16.62 +/- 0.85   0.004% *  0.2134% (0.65   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+ 121  13.14 +/- 0.47   0.016% *  0.0347% (0.11   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG3   LYS+ 121  16.03 +/- 1.02   0.006% *  0.1009% (0.31   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU   73  19.73 +/- 1.02   0.001% *  0.2959% (0.90   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 121  19.16 +/- 0.60   0.002% *  0.1125% (0.34   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 121  19.68 +/- 1.18   0.002% *  0.1086% (0.33   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  19.51 +/- 0.59   0.002% *  0.0682% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.939, support = 5.9, residual support = 173.2:
    * O T HB3   LEU   73 - QD2   LEU   73   2.70 +/- 0.29  42.740% * 91.5530% (1.00   5.90 164.19) =  93.596%  kept
      O T HD3   LYS+ 121 - HG3   LYS+ 121   2.56 +/- 0.25  54.686% *  4.8842% (0.05   5.98 306.29) =   6.389%  kept
          HB    VAL   42 - QD2   LEU   73   5.22 +/- 0.78   1.654% *  0.3078% (0.99   0.02   2.83) =   0.012%
          HG3   LYS+  33 - QD2   LEU   73   6.83 +/- 0.89   0.182% *  0.2997% (0.97   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QD2   LEU   73   5.86 +/- 0.28   0.371% *  0.0544% (0.18   0.02  43.90) =   0.000%
          QB    LEU   98 - QD2   LEU   73   7.63 +/- 0.94   0.134% *  0.1165% (0.38   0.02   0.02) =   0.000%
          HG    LEU   98 - QD2   LEU   73   8.35 +/- 1.29   0.100% *  0.0774% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 121   9.21 +/- 1.13   0.035% *  0.0977% (0.31   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   73  11.63 +/- 1.99   0.016% *  0.2009% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   73  11.33 +/- 0.58   0.007% *  0.3078% (0.99   0.02   0.02) =   0.000%
          QB    ALA   84 - QD2   LEU   73   9.95 +/- 0.82   0.020% *  0.1059% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - QD2   LEU   73  12.71 +/- 1.70   0.006% *  0.2866% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   73  14.54 +/- 1.16   0.002% *  0.3098% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD2   LEU   73  12.69 +/- 1.13   0.005% *  0.1165% (0.38   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 121   9.58 +/- 0.87   0.024% *  0.0185% (0.06   0.02   0.02) =   0.000%
          HB    VAL   42 - HG3   LYS+ 121  12.85 +/- 0.49   0.004% *  0.1049% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 121  14.64 +/- 1.46   0.002% *  0.1057% (0.34   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 121  12.21 +/- 0.60   0.005% *  0.0397% (0.13   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   73  18.98 +/- 0.93   0.000% *  0.3044% (0.98   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG3   LYS+ 121  16.24 +/- 0.52   0.001% *  0.1038% (0.33   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 121  13.81 +/- 1.05   0.002% *  0.0264% (0.09   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - QD2   LEU   73  15.58 +/- 1.26   0.001% *  0.0479% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - QD2   LEU   73  15.56 +/- 0.75   0.001% *  0.0544% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 121  19.41 +/- 0.62   0.000% *  0.1049% (0.34   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 121  17.10 +/- 0.57   0.001% *  0.0397% (0.13   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HG3   LYS+ 121  20.49 +/- 0.51   0.000% *  0.1059% (0.34   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 121  19.31 +/- 0.59   0.000% *  0.0361% (0.12   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 121  23.09 +/- 1.13   0.000% *  0.1022% (0.33   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG3   LYS+ 121  21.53 +/- 0.85   0.000% *  0.0185% (0.06   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 121  26.69 +/- 1.33   0.000% *  0.0685% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 5.9, residual support = 164.2:
    * O T QD1   LEU   73 - QD2   LEU   73   1.95 +/- 0.04  99.769% * 98.1265% (1.00   5.90 164.19) = 100.000%  kept
        T QD1   LEU   63 - QD2   LEU   73   7.96 +/- 0.82   0.028% *  0.3328% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU   73   7.71 +/- 0.52   0.029% *  0.2665% (0.80   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HG3   LYS+ 121   6.43 +/- 0.47   0.089% *  0.0643% (0.19   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU   73   8.88 +/- 0.74   0.013% *  0.1884% (0.57   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HG3   LYS+ 121   8.50 +/- 0.60   0.016% *  0.1135% (0.34   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG3   LYS+ 121   7.93 +/- 0.64   0.026% *  0.0643% (0.19   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QD2   LEU   73   9.80 +/- 0.78   0.007% *  0.1884% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG3   LYS+ 121   9.33 +/- 0.43   0.009% *  0.0948% (0.28   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU   73   9.04 +/- 0.58   0.011% *  0.0583% (0.18   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU   73  12.24 +/- 0.80   0.002% *  0.2780% (0.84   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG3   LYS+ 121  16.67 +/- 0.53   0.000% *  0.1135% (0.34   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   LYS+ 121  21.66 +/- 0.86   0.000% *  0.0909% (0.27   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+ 121  21.30 +/- 0.86   0.000% *  0.0199% (0.06   0.02   0.02) =   0.000%
    Distance limit 2.51 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 = 170.1:
    * O T HB2   LYS+  74 - HA    LYS+  74   2.61 +/- 0.21  99.765% * 98.3581% (0.64   6.31 170.13) = 100.000%  kept
          QG2   THR   26 - HA    LYS+  74   7.48 +/- 0.40   0.196% *  0.2047% (0.42   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LYS+  74  12.69 +/- 0.80   0.010% *  0.1744% (0.36   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  74  14.51 +/- 0.75   0.004% *  0.3489% (0.72   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+  74  15.43 +/- 1.11   0.003% *  0.2673% (0.55   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    LYS+  74  13.10 +/- 1.19   0.008% *  0.0681% (0.14   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+  74  13.88 +/- 0.78   0.005% *  0.0970% (0.20   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+  74  13.37 +/- 0.38   0.006% *  0.0681% (0.14   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+  74  17.40 +/- 0.22   0.001% *  0.2673% (0.55   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    LYS+  74  19.81 +/- 1.07   0.001% *  0.1460% (0.30   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.03 A, kept.
 
    Peak 854 (1.24, 4.94, 55.14 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 6.28, residual support = 170.1:
    * O T HG2   LYS+  74 - HA    LYS+  74   2.52 +/- 0.36  99.718% * 98.2807% (0.80   6.28 170.13) = 100.000%  kept
          HG13  ILE   19 - HA    LYS+  74   8.74 +/- 0.22   0.083% *  0.2889% (0.74   0.02   8.48) =   0.000%
          QG2   ILE   56 - HA    LYS+  74   7.97 +/- 0.21   0.136% *  0.0619% (0.16   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+  74  10.94 +/- 0.92   0.025% *  0.3122% (0.80   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+  74  10.86 +/- 0.46   0.020% *  0.1403% (0.36   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  74  12.73 +/- 0.31   0.009% *  0.1898% (0.49   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    LYS+  74  12.99 +/- 0.31   0.007% *  0.1898% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+  74  17.87 +/- 0.86   0.001% *  0.3122% (0.80   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HA    LYS+  74  17.62 +/- 0.34   0.001% *  0.1174% (0.30   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    LYS+  74  20.64 +/- 0.46   0.000% *  0.1067% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.02 A, kept.
 
    Peak 855 (0.98, 4.94, 55.14 ppm):
    8 chemical-shift based assignments, quality = 0.741, support = 0.0199, residual support = 154.8:
    * O T HG3   LYS+  74 - HA    LYS+  74   3.62 +/- 0.15  73.166% * 17.4302% (0.80   0.02 170.13) =  89.450%  kept
          HB    VAL   75 - HA    LYS+  74   4.36 +/- 0.41  26.049% *  5.3798% (0.25   0.02  27.04) =   9.829%  kept
          QD2   LEU   71 - HA    LYS+  74   8.97 +/- 0.98   0.432% * 11.9729% (0.55   0.02   0.02) =   0.363%
          QD1   LEU   67 - HA    LYS+  74  10.35 +/- 0.71   0.147% * 16.0901% (0.74   0.02   0.02) =   0.166%
          QD2   LEU   40 - HA    LYS+  74  10.99 +/- 0.53   0.099% * 15.6319% (0.72   0.02   0.02) =   0.109%
          QG2   ILE  103 - HA    LYS+  74  13.21 +/- 0.22   0.031% * 17.0851% (0.78   0.02   0.02) =   0.037%
          QD1   ILE  103 - HA    LYS+  74  12.43 +/- 0.52   0.047% *  9.8682% (0.45   0.02   0.02) =   0.032%
          QG2   ILE  119 - HA    LYS+  74  13.45 +/- 0.32   0.028% *  6.5418% (0.30   0.02   0.02) =   0.013%
    Distance limit 3.07 A violated in 13 structures by 0.37 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 = 170.1:
    *   T HD2   LYS+  74 - HA    LYS+  74   2.71 +/- 0.63  99.803% * 98.3904% (0.80   5.91 170.13) = 100.000%  kept
          QB    ALA   57 - HA    LYS+  74   9.36 +/- 0.33   0.114% *  0.2887% (0.69   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  74  10.76 +/- 0.34   0.049% *  0.1620% (0.39   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LYS+  74  13.26 +/- 0.75   0.014% *  0.1885% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LYS+  74  13.24 +/- 0.94   0.014% *  0.1885% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+  74  17.79 +/- 0.35   0.002% *  0.2019% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LYS+  74  19.80 +/- 1.03   0.002% *  0.2780% (0.67   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+  74  21.11 +/- 1.04   0.001% *  0.1885% (0.45   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  74  19.69 +/- 0.24   0.001% *  0.1135% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 7 structures by 0.15 A, kept.
 
    Peak 857 (2.80, 4.94, 55.14 ppm):
    5 chemical-shift based assignments, quality = 0.797, support = 0.0199, residual support = 169.3:
    *   T QE    LYS+  74 - HA    LYS+  74   3.06 +/- 0.29  98.931% * 29.0194% (0.80   0.02 170.13) =  99.532%  kept
          HB2   PHE   72 - HA    LYS+  74   6.98 +/- 0.55   0.844% *  8.9568% (0.25   0.02   0.02) =   0.262%
          QB    CYS   50 - HA    LYS+  74   8.92 +/- 0.40   0.192% * 28.9550% (0.80   0.02   0.02) =   0.192%
          HB3   ASP-  78 - HA    LYS+  74  11.92 +/- 0.39   0.031% * 10.8913% (0.30   0.02   0.02) =   0.012%
          HB3   ASN   69 - HA    LYS+  74  17.93 +/- 0.40   0.003% * 22.1775% (0.61   0.02   0.02) =   0.002%
    Distance limit 2.83 A violated in 8 structures by 0.26 A, eliminated.
    Peak unassigned.
 
    Peak 858 (4.94, 1.48, 36.69 ppm):
    3 chemical-shift based assignments, quality = 0.641, support = 6.31, residual support = 170.1:
    * O T HA    LYS+  74 - HB2   LYS+  74   2.61 +/- 0.21  99.984% * 99.6731% (0.64   6.31 170.13) = 100.000%  kept
          HA    THR   94 - HB2   LYS+  74  12.09 +/- 0.32   0.011% *  0.2391% (0.49   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   LYS+  74  13.63 +/- 0.49   0.006% *  0.0878% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 170.1:
    * O T HG2   LYS+  74 - HB2   LYS+  74   3.00 +/- 0.05  99.316% * 98.1566% (0.80   5.85 170.13) =  99.998%  kept
          HG13  ILE   19 - HB2   LYS+  74   7.75 +/- 0.53   0.367% *  0.3097% (0.74   0.02   8.48) =   0.001%
          QG2   ILE   56 - HB2   LYS+  74   8.30 +/- 0.38   0.233% *  0.0664% (0.16   0.02   0.02) =   0.000%
          HG    LEU   71 - HB2   LYS+  74  11.22 +/- 0.99   0.043% *  0.3348% (0.80   0.02   0.02) =   0.000%
          QG2   THR   39 - HB2   LYS+  74  13.58 +/- 0.52   0.012% *  0.2035% (0.49   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+  74  13.15 +/- 0.50   0.015% *  0.1504% (0.36   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  74  13.97 +/- 0.37   0.010% *  0.2035% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+  74  19.40 +/- 1.23   0.002% *  0.3348% (0.80   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HB2   LYS+  74  18.69 +/- 0.45   0.002% *  0.1259% (0.30   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   LYS+  74  21.90 +/- 0.67   0.001% *  0.1144% (0.27   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.03 A, kept.
 
    Peak 861 (0.98, 1.48, 36.69 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.27, residual support = 170.1:
    * O T HG3   LYS+  74 - HB2   LYS+  74   2.67 +/- 0.13  99.220% * 98.2356% (0.80   5.27 170.13) =  99.999%  kept
          HB    VAL   75 - HB2   LYS+  74   6.36 +/- 0.56   0.621% *  0.1150% (0.25   0.02  27.04) =   0.001%
          QD2   LEU   71 - HB2   LYS+  74   9.05 +/- 1.17   0.098% *  0.2559% (0.55   0.02   0.02) =   0.000%
        T QD1   LEU   67 - HB2   LYS+  74  10.56 +/- 1.13   0.035% *  0.3438% (0.74   0.02   0.02) =   0.000%
        T QD2   LEU   40 - HB2   LYS+  74  12.30 +/- 0.74   0.012% *  0.3340% (0.72   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LYS+  74  15.06 +/- 0.47   0.003% *  0.3651% (0.78   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LYS+  74  14.41 +/- 0.59   0.004% *  0.2109% (0.45   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  74  13.73 +/- 0.72   0.006% *  0.1398% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 170.1:
    * O T HD2   LYS+  74 - HB2   LYS+  74   2.54 +/- 0.49  99.860% * 98.4915% (0.80   6.31 170.13) = 100.000%  kept
          QB    ALA   57 - HB2   LYS+  74   8.56 +/- 0.40   0.103% *  0.2706% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+  74  12.02 +/- 0.47   0.015% *  0.1766% (0.45   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+  74  12.53 +/- 0.54   0.012% *  0.1519% (0.39   0.02   0.02) =   0.000%
          QD    LYS+  33 - HB2   LYS+  74  13.46 +/- 0.84   0.008% *  0.1766% (0.45   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HB2   LYS+  74  19.05 +/- 0.82   0.001% *  0.1892% (0.49   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   LYS+  74  20.97 +/- 1.08   0.000% *  0.2606% (0.67   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+  74  21.53 +/- 1.03   0.000% *  0.1766% (0.45   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+  74  20.88 +/- 0.63   0.000% *  0.1064% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 170.1:
    *   T QE    LYS+  74 - HB2   LYS+  74   2.60 +/- 0.65  98.786% * 98.9526% (0.80   4.62 170.13) =  99.998%  kept
          HB2   PHE   72 - HB2   LYS+  74   6.93 +/- 1.14   1.033% *  0.1322% (0.25   0.02   0.02) =   0.001%
          QB    CYS   50 - HB2   LYS+  74   8.41 +/- 0.49   0.157% *  0.4273% (0.80   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HB2   LYS+  74  12.16 +/- 0.80   0.021% *  0.1607% (0.30   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   LYS+  74  18.13 +/- 1.08   0.002% *  0.3273% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.62 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 = 170.1:
    * O T HA    LYS+  74 - HG2   LYS+  74   2.52 +/- 0.36  99.820% * 99.6026% (0.80   6.28 170.13) = 100.000%  kept
          HA    THR   94 - HG2   LYS+  74  10.80 +/- 0.75   0.018% *  0.2402% (0.61   0.02   0.02) =   0.000%
          HA    THR   94 - HG3   LYS+ 111   8.30 +/- 0.32   0.103% *  0.0257% (0.06   0.02   0.02) =   0.000%
          HA    MET   92 - HG2   LYS+  74  12.05 +/- 0.87   0.014% *  0.0882% (0.22   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+ 111   9.60 +/- 0.98   0.045% *  0.0094% (0.02   0.02   0.02) =   0.000%
        T HA    LYS+  74 - HG3   LYS+ 111  17.62 +/- 0.34   0.001% *  0.0339% (0.09   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 170.1:
    * O T HB2   LYS+  74 - HG2   LYS+  74   3.00 +/- 0.05  99.101% * 98.0100% (0.80   5.85 170.13) =  99.999%  kept
          QG2   THR   26 - HG2   LYS+  74   8.19 +/- 0.80   0.290% *  0.2201% (0.53   0.02   0.02) =   0.001%
          HG    LEU  115 - HG3   LYS+ 111   8.45 +/- 0.54   0.217% *  0.0307% (0.07   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+  74  12.40 +/- 1.93   0.035% *  0.1876% (0.45   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 111   8.13 +/- 0.53   0.280% *  0.0078% (0.02   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+  74  16.16 +/- 1.69   0.005% *  0.3752% (0.90   0.02   0.02) =   0.000%
          HG    LEU  115 - HG2   LYS+  74  15.27 +/- 1.33   0.007% *  0.2874% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG2   LYS+  74  13.41 +/- 1.22   0.015% *  0.0733% (0.18   0.02   0.02) =   0.000%
          HG    LEU   67 - HG2   LYS+  74  14.71 +/- 1.62   0.010% *  0.1043% (0.25   0.02   0.02) =   0.000%
          QB    ALA  120 - HG2   LYS+  74  17.77 +/- 1.23   0.003% *  0.2874% (0.69   0.02   0.02) =   0.000%
          HG    LEU   40 - HG2   LYS+  74  14.76 +/- 1.72   0.010% *  0.0733% (0.18   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 111  12.95 +/- 0.34   0.016% *  0.0307% (0.07   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG2   LYS+  74  20.78 +/- 1.46   0.001% *  0.1570% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+ 111  16.38 +/- 2.08   0.005% *  0.0168% (0.04   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HG3   LYS+ 111  18.69 +/- 0.45   0.002% *  0.0358% (0.09   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 111  22.53 +/- 0.51   0.001% *  0.0401% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 111  21.40 +/- 0.86   0.001% *  0.0200% (0.05   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 111  21.88 +/- 0.43   0.001% *  0.0235% (0.06   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 111  21.71 +/- 1.68   0.001% *  0.0111% (0.03   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 111  20.84 +/- 0.72   0.001% *  0.0078% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.14 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 = 170.1:
    * O T HG3   LYS+  74 - HG2   LYS+  74   1.75 +/- 0.00  99.888% * 97.6970% (1.00   4.54 170.13) = 100.000%  kept
          HB    VAL   75 - HG2   LYS+  74   5.68 +/- 0.51   0.102% *  0.1329% (0.31   0.02  27.04) =   0.000%
          QD2   LEU   71 - HG2   LYS+  74  10.09 +/- 0.99   0.003% *  0.2957% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG2   LYS+  74  11.04 +/- 1.49   0.002% *  0.3973% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG2   LYS+  74  12.43 +/- 1.25   0.001% *  0.3860% (0.90   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG2   LYS+  74  14.53 +/- 0.83   0.000% *  0.4219% (0.98   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG2   LYS+  74  13.88 +/- 0.78   0.000% *  0.2437% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   LYS+  74  13.65 +/- 1.34   0.001% *  0.1615% (0.38   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG3   LYS+ 111  13.75 +/- 0.66   0.000% *  0.0451% (0.10   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   LYS+ 111  12.60 +/- 0.26   0.001% *  0.0173% (0.04   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG3   LYS+ 111  14.78 +/- 0.69   0.000% *  0.0260% (0.06   0.02   0.02) =   0.000%
          QD1   LEU   67 - HG3   LYS+ 111  16.84 +/- 1.66   0.000% *  0.0425% (0.10   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG3   LYS+ 111  16.76 +/- 0.48   0.000% *  0.0413% (0.10   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG3   LYS+ 111  18.03 +/- 0.71   0.000% *  0.0460% (0.11   0.02   0.02) =   0.000%
          HB    VAL   75 - HG3   LYS+ 111  18.15 +/- 0.41   0.000% *  0.0142% (0.03   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG3   LYS+ 111  21.25 +/- 0.68   0.000% *  0.0316% (0.07   0.02   0.02) =   0.000%
    Distance limit 2.65 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 = 0.953, support = 5.54, residual support = 177.4:
    * O T HD2   LYS+  74 - HG2   LYS+  74   2.70 +/- 0.22  61.696% * 90.3906% (1.00   5.54 170.13) =  94.894%  kept
      O T HD3   LYS+ 111 - HG3   LYS+ 111   2.93 +/- 0.04  38.183% *  7.8581% (0.09   5.40 313.41) =   5.105%  kept
          QB    ALA   57 - HG2   LYS+  74   8.20 +/- 0.59   0.085% *  0.2829% (0.87   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  11.93 +/- 0.87   0.010% *  0.1587% (0.49   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  12.93 +/- 1.91   0.007% *  0.1846% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  14.48 +/- 0.96   0.003% *  0.1846% (0.57   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 111  11.58 +/- 0.55   0.010% *  0.0302% (0.09   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  19.69 +/- 1.41   0.001% *  0.2724% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.72 +/- 1.49   0.001% *  0.1978% (0.61   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.63 +/- 2.09   0.000% *  0.1846% (0.57   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  15.47 +/- 0.90   0.002% *  0.0211% (0.06   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  16.61 +/- 0.57   0.001% *  0.0349% (0.11   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  21.40 +/- 0.74   0.000% *  0.1112% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.84 +/- 0.79   0.000% *  0.0197% (0.06   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.48 +/- 0.84   0.000% *  0.0197% (0.06   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.96 +/- 0.54   0.000% *  0.0170% (0.05   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  27.33 +/- 1.01   0.000% *  0.0197% (0.06   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  28.72 +/- 0.57   0.000% *  0.0119% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 170.1:
    * O T QE    LYS+  74 - HG2   LYS+  74   2.82 +/- 0.73  98.475% * 98.7753% (1.00   4.54 170.13) =  99.996%  kept
          QB    CYS   50 - HG2   LYS+  74   7.48 +/- 0.82   0.651% *  0.4342% (1.00   0.02   0.02) =   0.003%
          HB2   PHE   72 - HG2   LYS+  74   7.94 +/- 1.14   0.774% *  0.1343% (0.31   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HG2   LYS+  74  11.03 +/- 1.57   0.065% *  0.1633% (0.38   0.02   0.02) =   0.000%
          QB    CYS   50 - HG3   LYS+ 111  13.14 +/- 0.48   0.020% *  0.0464% (0.11   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG2   LYS+  74  19.11 +/- 1.28   0.002% *  0.3326% (0.76   0.02   0.02) =   0.000%
        T QE    LYS+  74 - HG3   LYS+ 111  14.31 +/- 0.90   0.009% *  0.0465% (0.11   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 111  19.39 +/- 0.89   0.002% *  0.0175% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   72 - HG3   LYS+ 111  20.26 +/- 0.80   0.001% *  0.0144% (0.03   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+ 111  27.60 +/- 0.58   0.000% *  0.0355% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.61 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 = 170.1:
    * O T HA    LYS+  74 - HG3   LYS+  74   3.62 +/- 0.15  99.861% * 99.6297% (0.80   5.57 170.13) = 100.000%  kept
          HA    THR   94 - HG3   LYS+  74  11.89 +/- 0.55   0.081% *  0.2709% (0.61   0.02   0.02) =   0.000%
          HA    MET   92 - HG3   LYS+  74  12.77 +/- 0.71   0.058% *  0.0994% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 170.1:
    * O T HB2   LYS+  74 - HG3   LYS+  74   2.67 +/- 0.13  99.828% * 98.0409% (0.80   5.27 170.13) = 100.000%  kept
          QG2   THR   26 - HG3   LYS+  74   8.43 +/- 0.68   0.127% *  0.2442% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+  74  11.58 +/- 1.74   0.026% *  0.2081% (0.45   0.02   0.02) =   0.000%
        T HG    LEU  115 - HG3   LYS+  74  15.55 +/- 1.22   0.003% *  0.3189% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+  74  16.94 +/- 1.42   0.002% *  0.4163% (0.90   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  74  14.86 +/- 1.52   0.004% *  0.1158% (0.25   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  74  13.88 +/- 0.92   0.006% *  0.0813% (0.18   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  74  18.09 +/- 0.94   0.001% *  0.3189% (0.69   0.02   0.02) =   0.000%
        T HG    LEU   40 - HG3   LYS+  74  15.64 +/- 1.55   0.003% *  0.0813% (0.18   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HG3   LYS+  74  21.59 +/- 1.39   0.000% *  0.1742% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 170.1:
    * O T HG2   LYS+  74 - HG3   LYS+  74   1.75 +/- 0.00  99.974% * 97.6365% (1.00   4.54 170.13) = 100.000%  kept
          HG13  ILE   19 - HG3   LYS+  74   8.92 +/- 0.31   0.006% *  0.3971% (0.92   0.02   8.48) =   0.000%
          QG2   ILE   56 - HG3   LYS+  74   7.61 +/- 0.65   0.017% *  0.0851% (0.20   0.02   0.02) =   0.000%
          HG    LEU   71 - HG3   LYS+  74  12.72 +/- 1.18   0.001% *  0.4292% (1.00   0.02   0.02) =   0.000%
          QB    ALA   91 - HG3   LYS+  74  13.55 +/- 0.56   0.000% *  0.2609% (0.61   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+  74  13.53 +/- 0.49   0.000% *  0.1929% (0.45   0.02   0.02) =   0.000%
          QG2   THR   39 - HG3   LYS+  74  14.72 +/- 0.96   0.000% *  0.2609% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   LYS+  74  20.67 +/- 1.11   0.000% *  0.4292% (1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   LYS+  74  18.03 +/- 0.71   0.000% *  0.1614% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HG3   LYS+  74  23.40 +/- 0.70   0.000% *  0.1467% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.61 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 = 170.1:
    * O T HD2   LYS+  74 - HG3   LYS+  74   2.95 +/- 0.11  99.511% * 98.0930% (1.00   4.97 170.13) =  99.998%  kept
          QB    ALA   57 - HG3   LYS+  74   7.53 +/- 0.59   0.429% *  0.3421% (0.87   0.02   0.02) =   0.002%
          QD    LYS+  65 - HG3   LYS+  74  12.11 +/- 1.76   0.036% *  0.2233% (0.57   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  74  13.22 +/- 0.70   0.013% *  0.1920% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  33 - HG3   LYS+  74  14.73 +/- 0.92   0.007% *  0.2233% (0.57   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+  74  20.36 +/- 1.23   0.001% *  0.3294% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  74  19.47 +/- 1.13   0.001% *  0.2392% (0.61   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+  74  21.83 +/- 1.81   0.001% *  0.2233% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+  74  22.21 +/- 0.56   0.001% *  0.1345% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 170.1:
    * O T QE    LYS+  74 - HG3   LYS+  74   2.94 +/- 0.32  98.968% * 98.7918% (1.00   4.00 170.13) =  99.996%  kept
          QB    CYS   50 - HG3   LYS+  74   7.12 +/- 0.77   0.624% *  0.4929% (1.00   0.02   0.02) =   0.003%
          HB2   PHE   72 - HG3   LYS+  74   8.07 +/- 0.84   0.368% *  0.1525% (0.31   0.02   0.02) =   0.001%
          HB3   ASP-  78 - HG3   LYS+  74  11.42 +/- 1.15   0.038% *  0.1854% (0.38   0.02   0.02) =   0.000%
          HB3   ASN   69 - HG3   LYS+  74  19.28 +/- 0.94   0.002% *  0.3775% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 170.1:
    *   T HA    LYS+  74 - HD2   LYS+  74   2.71 +/- 0.63  99.923% * 99.5012% (0.80   5.91 170.13) = 100.000%  kept
          HA    THR   94 - HD2   LYS+  74  10.13 +/- 0.80   0.051% *  0.2550% (0.61   0.02   0.02) =   0.000%
          HA    MET   92 - HD2   LYS+  74  11.54 +/- 0.91   0.024% *  0.0936% (0.22   0.02   0.02) =   0.000%
        T HA    LYS+  74 - QD    LYS+  38  19.69 +/- 0.24   0.001% *  0.0738% (0.18   0.02   0.02) =   0.000%
          HA    THR   94 - QD    LYS+  38  22.63 +/- 0.38   0.001% *  0.0559% (0.13   0.02   0.02) =   0.000%
        T HA    MET   92 - QD    LYS+  38  27.98 +/- 0.77   0.000% *  0.0205% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.61 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 = 170.0:
    * O T HB2   LYS+  74 - HD2   LYS+  74   2.54 +/- 0.49  99.792% * 13.0802% (0.80   0.02 170.13) =  99.909%  kept
          QG2   THR   26 - HD2   LYS+  74   8.92 +/- 0.42   0.088% *  8.5943% (0.53   0.02   0.02) =   0.058%
          HB3   LEU   40 - QD    LYS+  38   9.96 +/- 0.52   0.047% *  3.2126% (0.20   0.02   0.02) =   0.012%
        T HG2   LYS+  65 - HD2   LYS+  74  12.04 +/- 1.01   0.011% *  7.3236% (0.45   0.02   0.02) =   0.006%
          HG    LEU  115 - HD2   LYS+  74  14.42 +/- 1.18   0.005% * 11.2207% (0.69   0.02   0.02) =   0.004%
          HB3   LEU   40 - HD2   LYS+  74  16.05 +/- 0.81   0.003% * 14.6499% (0.90   0.02   0.02) =   0.003%
          HB3   LEU  115 - HD2   LYS+  74  12.58 +/- 0.64   0.011% *  2.8608% (0.18   0.02   0.02) =   0.002%
          HG    LEU   67 - HD2   LYS+  74  14.47 +/- 1.07   0.005% *  4.0732% (0.25   0.02   0.02) =   0.001%
          QB    ALA  120 - HD2   LYS+  74  17.16 +/- 0.59   0.002% * 11.2207% (0.69   0.02   0.02) =   0.001%
          HG    LEU   40 - HD2   LYS+  74  14.61 +/- 1.24   0.005% *  2.8608% (0.18   0.02   0.02) =   0.001%
          HG    LEU   40 - QD    LYS+  38  11.02 +/- 0.47   0.023% *  0.6273% (0.04   0.02   0.02) =   0.001%
          QG2   THR   26 - QD    LYS+  38  15.72 +/- 0.40   0.003% *  1.8846% (0.12   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HD2   LYS+  74  20.23 +/- 1.36   0.001% *  6.1308% (0.38   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+  38  15.64 +/- 0.89   0.003% *  0.8932% (0.05   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  38  19.26 +/- 0.56   0.001% *  2.4606% (0.15   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD    LYS+  38  18.92 +/- 1.67   0.001% *  1.3444% (0.08   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD    LYS+  38  20.88 +/- 0.63   0.000% *  2.8684% (0.18   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - QD    LYS+  38  21.96 +/- 0.74   0.000% *  1.6060% (0.10   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  38  25.26 +/- 0.80   0.000% *  2.4606% (0.15   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  38  23.58 +/- 0.59   0.000% *  0.6273% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 11 structures by 0.32 A, eliminated.
    Peak unassigned.
 
    Peak 878 (1.24, 1.64, 30.09 ppm):
    20 chemical-shift based assignments, quality = 0.876, support = 5.53, residual support = 175.4:
    * O T HG2   LYS+  74 - HD2   LYS+  74   2.70 +/- 0.22  32.118% * 91.0757% (1.00   5.54 170.13) =  86.641%  kept
      O T HG3   LYS+  38 - QD    LYS+  38   2.36 +/- 0.10  67.562% *  6.6754% (0.07   5.43 209.68) =  13.358%  kept
          QG2   ILE   56 - HD2   LYS+  74   6.70 +/- 0.42   0.142% *  0.0650% (0.20   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  38   7.65 +/- 0.54   0.064% *  0.0719% (0.22   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+  74   9.91 +/- 0.69   0.015% *  0.3033% (0.92   0.02   8.48) =   0.000%
          QG2   THR   39 - QD    LYS+  38   7.31 +/- 0.30   0.082% *  0.0437% (0.13   0.02  15.59) =   0.000%
          HG    LEU   71 - HD2   LYS+  74  12.73 +/- 0.89   0.003% *  0.3279% (1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+  74  11.83 +/- 1.30   0.005% *  0.1473% (0.45   0.02   0.02) =   0.000%
          QB    ALA   91 - HD2   LYS+  74  12.34 +/- 0.96   0.003% *  0.1993% (0.61   0.02   0.02) =   0.000%
          QG2   THR   39 - HD2   LYS+  74  14.37 +/- 0.35   0.001% *  0.1993% (0.61   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  12.38 +/- 0.78   0.004% *  0.0719% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+  74  19.60 +/- 1.18   0.000% *  0.3279% (1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HD2   LYS+  74  16.61 +/- 0.57   0.001% *  0.1233% (0.38   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  18.10 +/- 0.59   0.000% *  0.0665% (0.20   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HD2   LYS+  74  22.81 +/- 0.64   0.000% *  0.1121% (0.34   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.40 +/- 0.74   0.000% *  0.0721% (0.22   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  20.64 +/- 0.64   0.000% *  0.0323% (0.10   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  38  23.47 +/- 0.83   0.000% *  0.0437% (0.13   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD    LYS+  38  20.82 +/- 0.29   0.000% *  0.0143% (0.04   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  28.72 +/- 0.57   0.000% *  0.0270% (0.08   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 170.1:
    * O T HG3   LYS+  74 - HD2   LYS+  74   2.95 +/- 0.11  96.123% * 97.6464% (1.00   4.97 170.13) =  99.995%  kept
          HB    VAL   75 - HD2   LYS+  74   5.96 +/- 1.31   3.516% *  0.1212% (0.31   0.02  27.04) =   0.005%
          QD2   LEU   71 - HD2   LYS+  74  10.35 +/- 1.13   0.064% *  0.2697% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   67 - HD2   LYS+  74  10.88 +/- 0.88   0.043% *  0.3624% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD    LYS+  38   9.15 +/- 0.27   0.112% *  0.0772% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   40 - HD2   LYS+  74  12.27 +/- 0.60   0.020% *  0.3521% (0.90   0.02   0.02) =   0.000%
          QG2   ILE  103 - HD2   LYS+  74  14.24 +/- 0.58   0.008% *  0.3848% (0.98   0.02   0.02) =   0.000%
          QD1   ILE  103 - HD2   LYS+  74  13.70 +/- 0.88   0.011% *  0.2223% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD    LYS+  38  10.92 +/- 0.72   0.042% *  0.0591% (0.15   0.02   0.02) =   0.000%
          QG2   ILE  119 - HD2   LYS+  74  13.07 +/- 0.71   0.013% *  0.1473% (0.38   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD    LYS+  38  12.98 +/- 0.61   0.014% *  0.0844% (0.21   0.02   0.02) =   0.000%
          QD1   LEU   67 - QD    LYS+  38  13.22 +/- 0.77   0.013% *  0.0795% (0.20   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD    LYS+  38  12.65 +/- 1.05   0.018% *  0.0487% (0.12   0.02   0.02) =   0.000%
          QG2   ILE  119 - QD    LYS+  38  18.07 +/- 0.57   0.002% *  0.0323% (0.08   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - QD    LYS+  38  22.21 +/- 0.56   0.001% *  0.0861% (0.22   0.02   0.02) =   0.000%
          HB    VAL   75 - QD    LYS+  38  19.79 +/- 0.47   0.001% *  0.0266% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 170.1:
    * O T QE    LYS+  74 - HD2   LYS+  74   2.22 +/- 0.04  99.813% * 98.7292% (1.00   4.97 170.13) =  99.999%  kept
          QB    CYS   50 - HD2   LYS+  74   7.13 +/- 0.41   0.098% *  0.3960% (1.00   0.02   0.02) =   0.000%
          HB2   PHE   72 - HD2   LYS+  74   7.95 +/- 1.08   0.076% *  0.1225% (0.31   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+  74  11.29 +/- 1.00   0.007% *  0.1490% (0.38   0.02   0.02) =   0.000%
          HB3   ASN   69 - QD    LYS+  38  12.22 +/- 1.02   0.004% *  0.0665% (0.17   0.02   0.02) =   0.000%
          HB3   ASN   69 - HD2   LYS+  74  19.07 +/- 1.03   0.000% *  0.3033% (0.76   0.02   0.02) =   0.000%
        T QE    LYS+  74 - QD    LYS+  38  19.75 +/- 0.66   0.000% *  0.0870% (0.22   0.02   0.02) =   0.000%
          HB2   PHE   72 - QD    LYS+  38  16.55 +/- 0.30   0.001% *  0.0269% (0.07   0.02   0.02) =   0.000%
          QB    CYS   50 - QD    LYS+  38  25.26 +/- 0.38   0.000% *  0.0868% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  38  28.66 +/- 0.60   0.000% *  0.0327% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 170.1:
    *   T HA    LYS+  74 - QE    LYS+  74   3.06 +/- 0.29  99.687% * 99.5813% (0.80   4.93 170.13) =  99.999%  kept
          HA    THR   94 - QE    LYS+  74   8.70 +/- 0.94   0.201% *  0.3063% (0.61   0.02   0.02) =   0.001%
          HA    MET   92 - QE    LYS+  74   9.70 +/- 0.69   0.112% *  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 = 170.1:
    *   T HB2   LYS+  74 - QE    LYS+  74   2.60 +/- 0.65  99.659% * 97.7702% (0.80   4.62 170.13) =  99.999%  kept
          QG2   THR   26 - QE    LYS+  74   8.31 +/- 0.46   0.168% *  0.2780% (0.53   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  74  12.57 +/- 1.69   0.030% *  0.3630% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QE    LYS+  74  11.03 +/- 0.98   0.039% *  0.2369% (0.45   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  74  10.96 +/- 1.20   0.058% *  0.0925% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   40 - QE    LYS+  74  14.75 +/- 1.16   0.008% *  0.4739% (0.90   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  74  15.28 +/- 1.13   0.006% *  0.3630% (0.69   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  74  13.29 +/- 1.39   0.013% *  0.1318% (0.25   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  74  13.43 +/- 1.37   0.015% *  0.0925% (0.18   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QE    LYS+  74  18.10 +/- 1.99   0.003% *  0.1983% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 1 structures by 0.06 A, kept.
 
    Peak 884 (1.24, 2.80, 41.81 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.54, residual support = 170.1:
    * O T HG2   LYS+  74 - QE    LYS+  74   2.82 +/- 0.73  96.758% * 97.6365% (1.00   4.54 170.13) =  99.996%  kept
          QG2   ILE   56 - QE    LYS+  74   5.57 +/- 0.68   2.880% *  0.0851% (0.20   0.02   0.02) =   0.003%
          HG13  ILE   19 - QE    LYS+  74   9.44 +/- 0.56   0.172% *  0.3971% (0.92   0.02   8.48) =   0.001%
          QB    ALA   91 - QE    LYS+  74  10.54 +/- 0.56   0.063% *  0.2609% (0.61   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  74  11.99 +/- 0.94   0.036% *  0.4292% (1.00   0.02   0.02) =   0.000%
          HG12  ILE   89 - QE    LYS+  74  10.47 +/- 0.78   0.060% *  0.1929% (0.45   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+  74  13.29 +/- 0.66   0.017% *  0.2609% (0.61   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QE    LYS+  74  14.31 +/- 0.90   0.009% *  0.1614% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+  74  17.89 +/- 1.33   0.003% *  0.4292% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QE    LYS+  74  20.91 +/- 0.78   0.001% *  0.1467% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.01 A, kept.
 
    Peak 885 (0.98, 2.80, 41.81 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 170.1:
    * O T HG3   LYS+  74 - QE    LYS+  74   2.94 +/- 0.32  96.191% * 97.6862% (1.00   4.00 170.13) =  99.993%  kept
          HB    VAL   75 - QE    LYS+  74   5.54 +/- 0.64   3.520% *  0.1508% (0.31   0.02  27.04) =   0.006%
          QD1   LEU   67 - QE    LYS+  74   9.93 +/- 1.13   0.084% *  0.4509% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   71 - QE    LYS+  74   9.77 +/- 1.01   0.093% *  0.3355% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   40 - QE    LYS+  74  11.26 +/- 0.91   0.040% *  0.4380% (0.90   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    LYS+  74  12.81 +/- 0.92   0.018% *  0.4788% (0.98   0.02   0.02) =   0.000%
          QD1   ILE  103 - QE    LYS+  74  12.34 +/- 0.81   0.022% *  0.2765% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  119 - QE    LYS+  74  11.67 +/- 1.11   0.032% *  0.1833% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 170.1:
    * O T HD2   LYS+  74 - QE    LYS+  74   2.22 +/- 0.04  99.779% * 98.0930% (1.00   4.97 170.13) =  99.999%  kept
          QB    ALA   57 - QE    LYS+  74   6.46 +/- 0.63   0.204% *  0.3421% (0.87   0.02   0.02) =   0.001%
          HB    VAL   83 - QE    LYS+  74  11.11 +/- 0.84   0.007% *  0.1920% (0.49   0.02   0.02) =   0.000%
          QD    LYS+  65 - QE    LYS+  74  11.46 +/- 0.84   0.006% *  0.2233% (0.57   0.02   0.02) =   0.000%
          QD    LYS+  33 - QE    LYS+  74  14.00 +/- 0.81   0.002% *  0.2233% (0.57   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QE    LYS+  74  16.39 +/- 1.43   0.001% *  0.3294% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  74  16.23 +/- 1.34   0.001% *  0.2392% (0.61   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+  74  18.86 +/- 1.47   0.000% *  0.2233% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+  74  19.75 +/- 0.66   0.000% *  0.1345% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.27 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   2.95 +/- 0.10  97.795% * 98.6248% (1.00   3.44  83.34) =  99.996%  kept
          HG3   LYS+  74 - HA    VAL   75   5.79 +/- 0.68   2.171% *  0.1770% (0.31   0.02  27.04) =   0.004%
          QD2   LEU   40 - HA    VAL   75  13.58 +/- 0.57   0.011% *  0.3246% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    VAL   75  13.74 +/- 0.80   0.011% *  0.3017% (0.53   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    VAL   75  14.95 +/- 0.24   0.006% *  0.2357% (0.41   0.02   0.02) =   0.000%
        T QD1   ILE  119 - HA    VAL   75  15.14 +/- 0.26   0.005% *  0.2357% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL   75  18.52 +/- 0.36   0.002% *  0.1004% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.85 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   2.70 +/- 0.16  99.996% * 99.5292% (1.00   4.00  83.34) = 100.000%  kept
          QD1   LEU  115 - HA    VAL   75  14.80 +/- 0.45   0.004% *  0.4708% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.22 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   2.19 +/- 0.07  99.990% * 99.5198% (1.00   4.00  83.34) = 100.000%  kept
          QG2   VAL   42 - HA    VAL   75  10.80 +/- 1.16   0.010% *  0.4802% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.11 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   2.95 +/- 0.10  99.980% * 99.1755% (1.00   3.44  83.34) = 100.000%  kept
          HD3   PRO   58 - HB    VAL   75  15.65 +/- 0.27   0.005% *  0.5171% (0.90   0.02   0.02) =   0.000%
          HA    ALA   61 - HB    VAL   75  13.85 +/- 0.41   0.010% *  0.1284% (0.22   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    VAL   75  16.13 +/- 0.31   0.004% *  0.0780% (0.14   0.02   0.02) =   0.000%
        T HA    ILE  119 - HB    VAL   75  17.63 +/- 0.48   0.002% *  0.1010% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.96 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   2.14 +/- 0.01  99.999% * 99.4530% (1.00   3.44  83.34) = 100.000%  kept
          QD1   LEU  115 - HB    VAL   75  13.92 +/- 0.57   0.001% *  0.5470% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.00 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   2.13 +/- 0.01  99.983% * 99.4207% (1.00   3.31  83.34) = 100.000%  kept
        T QG2   VAL   42 - HB    VAL   75   9.52 +/- 1.05   0.017% *  0.5793% (0.97   0.02   0.02) =   0.000%
    Distance limit 2.97 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   2.70 +/- 0.16  99.969% * 99.2901% (1.00   4.00  83.34) = 100.000%  kept
          HD3   PRO   58 - QG1   VAL   75  14.02 +/- 0.65   0.007% *  0.4452% (0.90   0.02   0.02) =   0.000%
        T HA    ALA   61 - QG1   VAL   75  12.94 +/- 0.71   0.012% *  0.1105% (0.22   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG1   VAL   75  12.98 +/- 0.29   0.009% *  0.0672% (0.14   0.02   0.02) =   0.000%
          HA    ILE  119 - QG1   VAL   75  16.11 +/- 0.88   0.003% *  0.0869% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.22 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   2.14 +/- 0.01  99.877% * 98.6248% (1.00   3.44  83.34) = 100.000%  kept
          HG3   LYS+  74 - QG1   VAL   75   6.90 +/- 0.62   0.106% *  0.1770% (0.31   0.02  27.04) =   0.000%
          QD2   LEU   40 - QG1   VAL   75  11.09 +/- 0.80   0.006% *  0.3246% (0.57   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG1   VAL   75  11.21 +/- 0.50   0.005% *  0.2357% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG1   VAL   75  12.19 +/- 0.78   0.003% *  0.3017% (0.53   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   75  12.97 +/- 0.70   0.002% *  0.2357% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL   75  14.72 +/- 0.83   0.001% *  0.1004% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.09 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   2.09 +/- 0.03  99.977% * 99.5198% (1.00   4.00  83.34) = 100.000%  kept
          QG2   VAL   42 - QG1   VAL   75   9.24 +/- 1.10   0.023% *  0.4802% (0.97   0.02   0.02) =   0.000%
    Distance limit 2.41 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   2.19 +/- 0.07  99.993% * 99.2901% (1.00   4.00  83.34) = 100.000%  kept
          HD3   PRO   58 - QG2   VAL   75  14.50 +/- 0.22   0.001% *  0.4452% (0.90   0.02   0.02) =   0.000%
          HA    ALA   61 - QG2   VAL   75  12.14 +/- 0.26   0.004% *  0.1105% (0.22   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   VAL   75  14.76 +/- 0.26   0.001% *  0.0672% (0.14   0.02   0.02) =   0.000%
          HA    ILE  119 - QG2   VAL   75  15.87 +/- 0.30   0.001% *  0.0869% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.26 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   2.13 +/- 0.01  99.824% * 98.5726% (1.00   3.31  83.34) = 100.000%  kept
          HG3   LYS+  74 - QG2   VAL   75   6.32 +/- 0.29   0.154% *  0.1837% (0.31   0.02  27.04) =   0.000%
          QD2   LEU   40 - QG2   VAL   75  10.21 +/- 0.59   0.009% *  0.3370% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   67 - QG2   VAL   75  11.13 +/- 0.64   0.005% *  0.3131% (0.53   0.02   0.02) =   0.000%
          QG2   ILE  103 - QG2   VAL   75  11.34 +/- 0.29   0.004% *  0.2447% (0.41   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   75  12.95 +/- 0.31   0.002% *  0.2447% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG2   VAL   75  14.21 +/- 0.46   0.001% *  0.1042% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.10 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   2.09 +/- 0.03  99.998% * 99.5292% (1.00   4.00  83.34) = 100.000%  kept
          QD1   LEU  115 - QG2   VAL   75  12.97 +/- 0.36   0.002% *  0.4708% (0.95   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 903 (0.13, 0.13, 21.81 ppm):
    1 diagonal assignment:
    *     QG2   VAL   75 - QG2   VAL   75  (1.00)  kept
 
    Peak 904 (5.02, 5.02, 52.40 ppm):
    2 diagonal assignments:
    *     HA    ASP-  76 - HA    ASP-  76  (1.00)  kept
          HA    LEU   67 - HA    LEU   67  (0.04)  kept
 
    Peak 905 (2.90, 5.02, 52.40 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 2.92, residual support = 36.3:
    * O T HB2   ASP-  76 - HA    ASP-  76   2.97 +/- 0.06  95.743% * 98.0870% (1.00   2.92  36.33) =  99.987%  kept
          HB2   ASP-  78 - HA    ASP-  76   5.67 +/- 0.18   2.034% *  0.4877% (0.73   0.02   4.25) =   0.011%
          HB2   ASN   69 - HA    LEU   67   6.32 +/- 0.98   1.618% *  0.1080% (0.16   0.02   3.01) =   0.002%
        T QE    LYS+  66 - HA    LEU   67   7.07 +/- 0.50   0.584% *  0.0245% (0.04   0.02  10.05) =   0.000%
          HB2   ASN   28 - HA    ASP-  76  15.38 +/- 0.45   0.005% *  0.1036% (0.15   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    ASP-  76  17.66 +/- 1.14   0.002% *  0.1495% (0.22   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HA    LEU   67  14.29 +/- 1.95   0.011% *  0.0245% (0.04   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  76  24.18 +/- 0.51   0.000% *  0.6583% (0.98   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HA    ASP-  76  21.01 +/- 0.56   0.001% *  0.1495% (0.22   0.02   0.02) =   0.000%
        T HB2   ASP-  76 - HA    LEU   67  22.67 +/- 0.72   0.000% *  0.1102% (0.16   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    LEU   67  26.46 +/- 0.74   0.000% *  0.0800% (0.12   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    LEU   67  22.73 +/- 0.60   0.000% *  0.0170% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 36.3:
    * O T HB3   ASP-  76 - HA    ASP-  76   2.60 +/- 0.23  99.795% * 96.2110% (0.87   3.00  36.33) = 100.000%  kept
          HG3   MET   92 - HA    ASP-  76  11.41 +/- 1.38   0.022% *  0.6421% (0.87   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ASP-  76   9.23 +/- 2.02   0.137% *  0.1002% (0.14   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    ASP-  76  12.09 +/- 0.19   0.011% *  0.2525% (0.34   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP-  76  15.76 +/- 0.85   0.002% *  0.5657% (0.76   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    LEU   67  11.28 +/- 0.64   0.018% *  0.0456% (0.06   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LEU   67  13.77 +/- 0.51   0.005% *  0.1204% (0.16   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    ASP-  76  18.99 +/- 0.28   0.001% *  0.7336% (0.99   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    LEU   67  14.72 +/- 0.62   0.003% *  0.0972% (0.13   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP-  76  18.13 +/- 0.63   0.001% *  0.2778% (0.38   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LEU   67  14.85 +/- 0.54   0.003% *  0.0414% (0.06   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP-  76  24.67 +/- 0.99   0.000% *  0.5927% (0.80   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LEU   67  20.68 +/- 0.69   0.000% *  0.0928% (0.13   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - HA    LEU   67  22.76 +/- 1.04   0.000% *  0.1053% (0.14   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LEU   67  25.01 +/- 0.70   0.000% *  0.1053% (0.14   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    LEU   67  22.83 +/- 0.87   0.000% *  0.0164% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 907 (5.02, 2.90, 42.19 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.92, residual support = 36.3:
    * O T HA    ASP-  76 - HB2   ASP-  76   2.97 +/- 0.06  99.377% * 99.5261% (1.00   2.92  36.33) = 100.000%  kept
        T HA    LEU   67 - QE    LYS+  66   7.07 +/- 0.50   0.607% *  0.0353% (0.05   0.02  10.05) =   0.000%
        T HA    LEU   67 - QE    LYS+  33  14.29 +/- 1.95   0.012% *  0.0253% (0.04   0.02   0.02) =   0.000%
        T HA    ASP-  76 - QE    LYS+  33  17.66 +/- 1.14   0.002% *  0.1017% (0.15   0.02   0.02) =   0.000%
        T HA    ASP-  76 - QE    LYS+  66  21.01 +/- 0.56   0.001% *  0.1417% (0.21   0.02   0.02) =   0.000%
        T HA    LEU   67 - HB2   ASP-  76  22.67 +/- 0.72   0.001% *  0.1699% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 908 (2.90, 2.90, 42.19 ppm):
    3 diagonal assignments:
    *     HB2   ASP-  76 - HB2   ASP-  76  (1.00)  kept
          QE    LYS+  66 - QE    LYS+  66  (0.05)  kept
          QE    LYS+  33 - QE    LYS+  33  (0.03)  kept
 
    Peak 909 (2.24, 2.90, 42.19 ppm):
    24 chemical-shift based assignments, quality = 0.867, support = 2.92, residual support = 36.3:
    * O T HB3   ASP-  76 - HB2   ASP-  76   1.75 +/- 0.00  99.903% * 95.3934% (0.87   2.92  36.33) = 100.000%  kept
          HB2   GLU-  29 - QE    LYS+  33   6.95 +/- 1.63   0.077% *  0.0859% (0.11   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  66   8.34 +/- 0.74   0.010% *  0.0588% (0.08   0.02   0.02) =   0.000%
          QG    GLN   90 - HB2   ASP-  76  10.38 +/- 2.29   0.005% *  0.1020% (0.14   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   ASP-  76  13.72 +/- 1.74   0.001% *  0.6538% (0.87   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   ASP-  76  14.66 +/- 1.01   0.000% *  0.5760% (0.76   0.02   0.02) =   0.000%
          HB2   MET   96 - HB2   ASP-  76  14.03 +/- 0.25   0.000% *  0.2571% (0.34   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  33  12.82 +/- 1.67   0.001% *  0.0900% (0.12   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  66  13.62 +/- 0.84   0.000% *  0.1553% (0.21   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   ASP-  76  21.54 +/- 0.24   0.000% *  0.7471% (0.99   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  33  14.57 +/- 0.63   0.000% *  0.0384% (0.05   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   ASP-  76  20.84 +/- 0.57   0.000% *  0.2829% (0.38   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  33  18.25 +/- 1.29   0.000% *  0.0975% (0.13   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    LYS+  66  19.04 +/- 0.94   0.000% *  0.1255% (0.17   0.02   0.02) =   0.000%
          HB2   MET   96 - QE    LYS+  66  17.05 +/- 0.66   0.000% *  0.0535% (0.07   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   ASP-  76  25.90 +/- 1.12   0.000% *  0.6036% (0.80   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    LYS+  33  20.00 +/- 0.90   0.000% *  0.1114% (0.15   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  66  22.17 +/- 0.74   0.000% *  0.1359% (0.18   0.02   0.02) =   0.000%
        T HB3   ASP-  76 - QE    LYS+  66  22.75 +/- 0.96   0.000% *  0.1359% (0.18   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    LYS+  66  24.33 +/- 0.58   0.000% *  0.1198% (0.16   0.02   0.02) =   0.000%
          HG12  ILE  119 - QE    LYS+  33  20.98 +/- 1.52   0.000% *  0.0422% (0.06   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    LYS+  33  25.90 +/- 0.93   0.000% *  0.0975% (0.13   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  33  19.96 +/- 1.79   0.000% *  0.0152% (0.02   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    LYS+  66  22.29 +/- 0.55   0.000% *  0.0212% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.56 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 = 36.3:
    * O T HA    ASP-  76 - HB3   ASP-  76   2.60 +/- 0.23 100.000% * 99.8339% (0.87   3.00  36.33) = 100.000%  kept
        T HA    LEU   67 - HB3   ASP-  76  22.76 +/- 1.04   0.000% *  0.1661% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 911 (2.90, 2.24, 42.19 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 2.92, residual support = 36.3:
    * O T HB2   ASP-  76 - HB3   ASP-  76   1.75 +/- 0.00  98.532% * 98.4441% (0.87   2.92  36.33) =  99.993%  kept
          HB2   ASP-  78 - HB3   ASP-  76   3.98 +/- 0.84   1.468% *  0.4900% (0.63   0.02   4.25) =   0.007%
          HB2   ASN   28 - HB3   ASP-  76  15.46 +/- 0.64   0.000% *  0.1041% (0.13   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HB3   ASP-  76  18.25 +/- 1.29   0.000% *  0.1502% (0.19   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  76  25.85 +/- 0.93   0.000% *  0.6614% (0.85   0.02   0.02) =   0.000%
        T QE    LYS+  66 - HB3   ASP-  76  22.75 +/- 0.96   0.000% *  0.1502% (0.19   0.02   0.02) =   0.000%
    Distance limit 2.51 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 = 37.8:
    * O T HB    THR   77 - HA    THR   77   2.54 +/- 0.05  99.261% * 95.5113% (1.00   3.00  37.77) =  99.996%  kept
          HA    GLU-  79 - HA    THR   77   6.08 +/- 0.19   0.549% *  0.4374% (0.69   0.02   0.02) =   0.003%
          HA    SER   85 - HA    THR   77   7.77 +/- 0.46   0.130% *  0.6367% (1.00   0.02   0.02) =   0.001%
          HA    ASP-  44 - HA    THR   77   9.47 +/- 0.22   0.038% *  0.6311% (0.99   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    THR   77  11.19 +/- 0.42   0.014% *  0.2390% (0.38   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    THR   77  13.70 +/- 0.23   0.004% *  0.3099% (0.49   0.02   0.02) =   0.000%
          HA    ALA   57 - HA    THR   77  14.06 +/- 0.46   0.004% *  0.1418% (0.22   0.02   0.02) =   0.000%
          HA    ILE  103 - HA    THR   77  18.03 +/- 0.28   0.001% *  0.6241% (0.98   0.02   0.02) =   0.000%
          HA    THR   39 - HA    THR   77  23.63 +/- 0.25   0.000% *  0.3862% (0.61   0.02   0.02) =   0.000%
          HA    MET   11 - HA    THR   77  29.52 +/- 4.20   0.000% *  0.6241% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    THR   77  23.57 +/- 1.79   0.000% *  0.1965% (0.31   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    THR   77  27.85 +/- 2.85   0.000% *  0.2618% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 37.8:
    * O T QG2   THR   77 - HA    THR   77   2.41 +/- 0.08  99.945% * 98.6696% (1.00   3.00  37.77) = 100.000%  kept
          QB    ALA   88 - HA    THR   77   9.43 +/- 0.40   0.030% *  0.5267% (0.80   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    THR   77   9.76 +/- 0.40   0.024% *  0.1829% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    THR   77  17.14 +/- 0.57   0.001% *  0.1015% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    THR   77  23.09 +/- 0.53   0.000% *  0.2244% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    THR   77  25.67 +/- 0.62   0.000% *  0.2949% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 37.8:
    * O T HA    THR   77 - HB    THR   77   2.54 +/- 0.05  99.937% * 99.4058% (1.00   3.00  37.77) = 100.000%  kept
          HD2   PRO   93 - HB    THR   77   9.00 +/- 0.64   0.058% *  0.2971% (0.45   0.02   0.02) =   0.000%
          HB2   TRP   27 - HB    THR   77  13.18 +/- 0.38   0.005% *  0.2971% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 2.86, residual support = 37.8:
    * O T QG2   THR   77 - HB    THR   77   2.15 +/- 0.01  99.979% * 98.6049% (1.00   2.86  37.77) = 100.000%  kept
          QB    ALA   88 - HB    THR   77   9.31 +/- 0.50   0.016% *  0.5523% (0.80   0.02   0.02) =   0.000%
        T QG2   THR   23 - HB    THR   77  11.59 +/- 0.34   0.004% *  0.1918% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB    THR   77  15.70 +/- 0.65   0.001% *  0.1064% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB    THR   77  24.52 +/- 0.68   0.000% *  0.2353% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB    THR   77  27.64 +/- 0.76   0.000% *  0.3092% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 37.8:
    * O T HA    THR   77 - QG2   THR   77   2.41 +/- 0.08  99.628% * 99.4058% (1.00   3.00  37.77) =  99.999%  kept
          HD2   PRO   93 - QG2   THR   77   6.28 +/- 0.40   0.356% *  0.2971% (0.45   0.02   0.02) =   0.001%
          HB2   TRP   27 - QG2   THR   77  10.44 +/- 0.35   0.016% *  0.2971% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 2.86, residual support = 37.8:
    * O T HB    THR   77 - QG2   THR   77   2.15 +/- 0.01  99.692% * 95.3005% (1.00   2.86  37.77) =  99.998%  kept
          HA    ASP-  44 - QG2   THR   77   6.58 +/- 0.26   0.124% *  0.6608% (0.99   0.02   0.02) =   0.001%
          HA    SER   85 - QG2   THR   77   7.19 +/- 0.59   0.082% *  0.6667% (1.00   0.02   0.02) =   0.001%
          HA    GLU-  79 - QG2   THR   77   7.28 +/- 0.08   0.066% *  0.4579% (0.69   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   THR   77   9.46 +/- 0.25   0.014% *  0.3245% (0.49   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   THR   77  10.27 +/- 0.48   0.009% *  0.2502% (0.38   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   THR   77   9.82 +/- 0.47   0.012% *  0.1484% (0.22   0.02   0.02) =   0.000%
          HA    ILE  103 - QG2   THR   77  14.43 +/- 0.30   0.001% *  0.6535% (0.98   0.02   0.02) =   0.000%
          HA    THR   39 - QG2   THR   77  19.50 +/- 0.33   0.000% *  0.4043% (0.61   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   THR   77  25.20 +/- 3.27   0.000% *  0.6535% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   THR   77  19.74 +/- 1.50   0.000% *  0.2058% (0.31   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   THR   77  23.60 +/- 2.23   0.000% *  0.2741% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 921 (1.30, 1.30, 23.34 ppm):
    1 diagonal assignment:
    *     QG2   THR   77 - QG2   THR   77  (1.00)  kept
 
    Peak 922 (4.83, 4.83, 56.44 ppm):
    1 diagonal assignment:
    *     HA    ASP-  78 - HA    ASP-  78  (1.00)  kept
 
    Peak 923 (2.91, 4.83, 56.44 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.14, residual support = 37.7:
    * O T HB2   ASP-  78 - HA    ASP-  78   2.96 +/- 0.15  98.225% * 98.0762% (1.00   3.14  37.67) =  99.992%  kept
          HB2   ASP-  76 - HA    ASP-  78   6.02 +/- 0.60   1.760% *  0.4537% (0.73   0.02   4.25) =   0.008%
          HB2   ASP-  86 - HA    ASP-  78  13.35 +/- 0.53   0.012% *  0.1237% (0.20   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    ASP-  78  17.68 +/- 0.47   0.002% *  0.3287% (0.53   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  78  21.99 +/- 1.18   0.001% *  0.4042% (0.65   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  78  22.52 +/- 0.84   0.001% *  0.2345% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    ASP-  78  30.26 +/- 0.58   0.000% *  0.3790% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 37.7:
    * O T HB3   ASP-  78 - HA    ASP-  78   2.72 +/- 0.16  99.894% * 98.9028% (1.00   2.31  37.67) = 100.000%  kept
          QB    CYS   50 - HA    ASP-  78   9.31 +/- 0.28   0.069% *  0.2920% (0.34   0.02   0.02) =   0.000%
          QE    LYS+  74 - HA    ASP-  78  10.60 +/- 1.10   0.036% *  0.3213% (0.38   0.02   0.02) =   0.000%
          HB3   HIS  122 - HA    ASP-  78  26.73 +/- 0.47   0.000% *  0.3519% (0.41   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    ASP-  78  25.90 +/- 1.07   0.000% *  0.1321% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 925 (4.83, 2.91, 41.22 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.14, residual support = 37.7:
    * O T HA    ASP-  78 - HB2   ASP-  78   2.96 +/- 0.15  99.651% * 98.8354% (1.00   3.14  37.67) =  99.999%  kept
          HA    LEU   80 - HB2   ASP-  78   8.35 +/- 0.37   0.219% *  0.3065% (0.49   0.02   0.71) =   0.001%
          HA    THR   23 - HB2   ASP-  78   9.54 +/- 0.62   0.104% *  0.5462% (0.87   0.02   0.02) =   0.001%
          HB    THR   23 - HB2   ASP-  78  12.02 +/- 0.67   0.025% *  0.2148% (0.34   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB2   ASP-  78  24.87 +/- 0.43   0.000% *  0.0972% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 2.58, residual support = 37.7:
    * O T HB3   ASP-  78 - HB2   ASP-  78   1.75 +/- 0.00  99.983% * 99.0158% (1.00   2.58  37.67) = 100.000%  kept
          QB    CYS   50 - HB2   ASP-  78   8.17 +/- 0.69   0.012% *  0.2619% (0.34   0.02   0.02) =   0.000%
          QE    LYS+  74 - HB2   ASP-  78   9.69 +/- 1.28   0.005% *  0.2882% (0.38   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   ASP-  78  26.63 +/- 0.49   0.000% *  0.3157% (0.41   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   ASP-  78  26.51 +/- 0.94   0.000% *  0.1185% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.46 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 = 37.7:
    * O T HA    ASP-  78 - HB3   ASP-  78   2.72 +/- 0.16  99.859% * 98.4244% (1.00   2.31  37.67) =  99.999%  kept
          HA    LEU   80 - HB3   ASP-  78   9.09 +/- 0.51   0.092% *  0.4146% (0.49   0.02   0.71) =   0.000%
          HA    THR   23 - HB3   ASP-  78  10.54 +/- 0.57   0.038% *  0.7389% (0.87   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP-  78  13.06 +/- 0.62   0.010% *  0.2906% (0.34   0.02   0.02) =   0.000%
          HA    ASP- 105 - HB3   ASP-  78  24.46 +/- 0.49   0.000% *  0.1314% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 2.58, residual support = 37.7:
    * O T HB2   ASP-  78 - HB3   ASP-  78   1.75 +/- 0.00  99.620% * 97.6682% (1.00   2.58  37.67) =  99.998%  kept
          HB2   ASP-  76 - HB3   ASP-  78   4.86 +/- 0.73   0.380% *  0.5499% (0.73   0.02   4.25) =   0.002%
          HB2   ASP-  86 - HB3   ASP-  78  15.17 +/- 0.44   0.000% *  0.1499% (0.20   0.02   0.02) =   0.000%
          HB2   ASN   28 - HB3   ASP-  78  18.23 +/- 0.56   0.000% *  0.3985% (0.53   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  78  21.71 +/- 1.16   0.000% *  0.4899% (0.65   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  78  20.99 +/- 0.78   0.000% *  0.2842% (0.38   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   ASP-  78  29.67 +/- 0.66   0.000% *  0.4594% (0.61   0.02   0.02) =   0.000%
    Distance limit 2.44 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 = 4.24, residual support = 54.4:
    * O T HB2   GLU-  79 - HA    GLU-  79   2.87 +/- 0.19  99.977% * 97.8877% (1.00   4.24  54.40) = 100.000%  kept
          HG2   MET   92 - HA    GLU-  79  15.63 +/- 1.96   0.008% *  0.4453% (0.97   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU-  79  13.71 +/- 0.40   0.009% *  0.2799% (0.61   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU-  79  15.51 +/- 0.54   0.004% *  0.3695% (0.80   0.02   0.02) =   0.000%
          QG    GLU- 114 - HA    GLU-  79  21.23 +/- 0.74   0.001% *  0.4573% (0.99   0.02   0.02) =   0.000%
        T HG3   GLU-  36 - HA    GLU-  79  26.44 +/- 0.55   0.000% *  0.4453% (0.97   0.02   0.02) =   0.000%
        T QB    MET   11 - HA    GLU-  79  26.07 +/- 3.82   0.000% *  0.1151% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 3.47, residual support = 54.4:
    * O T QG    GLU-  79 - HA    GLU-  79   2.54 +/- 0.27  99.998% * 98.5791% (1.00   3.47  54.40) = 100.000%  kept
          QG    GLN   32 - HA    GLU-  79  18.28 +/- 1.34   0.001% *  0.4932% (0.87   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    GLU-  79  20.35 +/- 0.41   0.000% *  0.1755% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLU-  79  22.78 +/- 0.32   0.000% *  0.1755% (0.31   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    GLU-  79  27.94 +/- 0.45   0.000% *  0.3219% (0.57   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU-  79  28.31 +/- 0.46   0.000% *  0.2549% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 934 (4.27, 2.31, 31.53 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.24, residual support = 54.4:
    * O T HA    GLU-  79 - HB2   GLU-  79   2.87 +/- 0.19  99.562% * 97.2624% (1.00   4.24  54.40) =  99.999%  kept
          HB    THR   77 - HB2   GLU-  79   7.43 +/- 0.42   0.385% *  0.3149% (0.69   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   GLU-  79  11.81 +/- 0.67   0.025% *  0.3149% (0.69   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLU-  79  12.36 +/- 0.75   0.019% *  0.2781% (0.61   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLU-  79  15.99 +/- 0.56   0.004% *  0.4337% (0.95   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLU-  79  15.83 +/- 0.59   0.004% *  0.3149% (0.69   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLU-  79  21.17 +/- 0.89   0.001% *  0.3671% (0.80   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLU-  79  26.49 +/- 4.51   0.001% *  0.2596% (0.57   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLU-  79  24.39 +/- 0.75   0.000% *  0.4544% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 3.42, residual support = 54.4:
    * O T QG    GLU-  79 - HB2   GLU-  79   2.31 +/- 0.10  99.999% * 98.5595% (1.00   3.42  54.40) = 100.000%  kept
          QG    GLN   32 - HB2   GLU-  79  17.16 +/- 1.27   0.001% *  0.5000% (0.87   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLU-  79  18.78 +/- 0.85   0.000% *  0.1779% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLU-  79  21.03 +/- 0.82   0.000% *  0.1779% (0.31   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLU-  79  26.43 +/- 0.84   0.000% *  0.3263% (0.57   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLU-  79  26.62 +/- 0.87   0.000% *  0.2584% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 937 (4.27, 2.38, 37.37 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 3.47, residual support = 54.4:
    * O T HA    GLU-  79 - QG    GLU-  79   2.54 +/- 0.27  99.808% * 96.6708% (1.00   3.47  54.40) =  99.999%  kept
          HB    THR   77 - QG    GLU-  79   8.29 +/- 0.53   0.159% *  0.3830% (0.69   0.02   0.02) =   0.001%
          HA    SER   85 - QG    GLU-  79  11.48 +/- 0.40   0.015% *  0.3830% (0.69   0.02   0.02) =   0.000%
          HA    ASP-  44 - QG    GLU-  79  12.56 +/- 0.78   0.011% *  0.3382% (0.61   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG    GLU-  79  15.80 +/- 0.82   0.002% *  0.5274% (0.95   0.02   0.02) =   0.000%
          HA    ALA   57 - QG    GLU-  79  15.65 +/- 0.89   0.003% *  0.3830% (0.69   0.02   0.02) =   0.000%
          HA    MET   11 - QG    GLU-  79  23.22 +/- 4.23   0.001% *  0.3157% (0.57   0.02   0.02) =   0.000%
          HA    ILE  103 - QG    GLU-  79  19.96 +/- 0.78   0.001% *  0.4464% (0.80   0.02   0.02) =   0.000%
          HA    THR   39 - QG    GLU-  79  22.34 +/- 0.81   0.000% *  0.5526% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 3.42, residual support = 54.4:
    * O T HB2   GLU-  79 - QG    GLU-  79   2.31 +/- 0.10  99.983% * 97.3927% (1.00   3.42  54.40) = 100.000%  kept
          HG3   GLU-  25 - QG    GLU-  79  10.54 +/- 0.81   0.013% *  0.3454% (0.61   0.02   0.02) =   0.000%
          HG2   MET   92 - QG    GLU-  79  15.17 +/- 1.63   0.002% *  0.5496% (0.97   0.02   0.02) =   0.000%
          HG2   PRO   52 - QG    GLU-  79  14.82 +/- 0.68   0.002% *  0.4561% (0.80   0.02   0.02) =   0.000%
          QG    GLU- 114 - QG    GLU-  79  19.46 +/- 0.94   0.000% *  0.5645% (0.99   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG    GLU-  79  21.99 +/- 1.02   0.000% *  0.5496% (0.97   0.02   0.02) =   0.000%
          QB    MET   11 - QG    GLU-  79  21.30 +/- 3.50   0.000% *  0.1420% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 939 (2.38, 2.38, 37.37 ppm):
    1 diagonal assignment:
    *     QG    GLU-  79 - QG    GLU-  79  (1.00)  kept
 
    Peak 940 (4.81, 4.81, 52.21 ppm):
    1 diagonal assignment:
    *     HA    LEU   80 - HA    LEU   80  (1.00)  kept
 
    Peak 942 (0.56, 4.81, 52.21 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 5.39, residual support = 79.5:
    *   T QD1   LEU   80 - HA    LEU   80   2.53 +/- 0.70  99.898% * 98.2591% (0.65   5.39  79.55) = 100.000%  kept
          QD1   LEU   73 - HA    LEU   80  10.53 +/- 0.67   0.065% *  0.1923% (0.34   0.02   0.02) =   0.000%
          QG2   VAL   41 - HA    LEU   80  12.91 +/- 0.78   0.018% *  0.4710% (0.84   0.02   0.02) =   0.000%
        T QD2   LEU   98 - HA    LEU   80  13.07 +/- 0.82   0.016% *  0.3648% (0.65   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    LEU   80  19.70 +/- 0.71   0.001% *  0.5205% (0.92   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    LEU   80  17.67 +/- 0.65   0.002% *  0.1923% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.01 A, kept.
 
    Peak 943 (4.81, 1.41, 40.36 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.84, residual support = 79.5:
    * O   HA    LEU   80 - HB2   LEU   80   2.38 +/- 0.11  98.810% * 98.7698% (1.00   4.84  79.55) =  99.996%  kept
          HA    THR   23 - HB2   LEU   80   5.24 +/- 0.41   0.989% *  0.3265% (0.80   0.02  10.99) =   0.003%
          HB    THR   23 - HB2   LEU   80   7.07 +/- 0.54   0.166% *  0.3935% (0.97   0.02  10.99) =   0.001%
          HA    ASP-  78 - HB2   LEU   80   9.09 +/- 0.24   0.035% *  0.1985% (0.49   0.02   0.71) =   0.000%
          HA    ASP- 105 - HB2   LEU   80  21.20 +/- 0.88   0.000% *  0.3116% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 944 (1.41, 1.41, 40.36 ppm):
    1 diagonal assignment:
    *     HB2   LEU   80 - HB2   LEU   80  (1.00)  kept
 
    Peak 945 (0.56, 1.41, 40.36 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 5.03, residual support = 79.5:
    * O T QD1   LEU   80 - HB2   LEU   80   2.67 +/- 0.25  99.831% * 98.1390% (0.65   5.03  79.55) = 100.000%  kept
          QD1   LEU   73 - HB2   LEU   80   8.83 +/- 0.70   0.112% *  0.2056% (0.34   0.02   0.02) =   0.000%
        T QG2   VAL   41 - HB2   LEU   80  11.10 +/- 0.85   0.029% *  0.5035% (0.84   0.02   0.02) =   0.000%
        T QD2   LEU   98 - HB2   LEU   80  11.25 +/- 0.90   0.025% *  0.3899% (0.65   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   LEU   80  18.27 +/- 0.92   0.001% *  0.5564% (0.92   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   LEU   80  16.30 +/- 0.95   0.003% *  0.2056% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 0.608, support = 4.58, residual support = 59.0:
    *   T HA    LEU   80 - QD1   LEU   80   2.53 +/- 0.70  47.119% * 70.6437% (0.65   5.39  79.55) =  70.002%  kept
          HA    THR   23 - QD1   LEU   80   2.66 +/- 1.15  50.618% * 28.1713% (0.52   2.68  10.99) =  29.988%  kept
          HB    THR   23 - QD1   LEU   80   4.53 +/- 1.22   1.545% *  0.2531% (0.62   0.02  10.99) =   0.008%
          HA    ASP-  78 - QD1   LEU   80   7.12 +/- 0.79   0.549% *  0.1277% (0.31   0.02   0.71) =   0.001%
          HA    ASP- 105 - QD2   LEU   98   8.23 +/- 0.66   0.146% *  0.1149% (0.28   0.02   0.50) =   0.000%
        T HA    LEU   80 - QD2   LEU   98  13.07 +/- 0.82   0.009% *  0.1503% (0.37   0.02   0.02) =   0.000%
          HA    THR   23 - QD2   LEU   98  13.70 +/- 0.65   0.006% *  0.1204% (0.30   0.02   0.02) =   0.000%
          HB    THR   23 - QD2   LEU   98  14.65 +/- 0.61   0.004% *  0.1451% (0.36   0.02   0.02) =   0.000%
          HA    ASP- 105 - QD1   LEU   80  18.79 +/- 1.39   0.002% *  0.2004% (0.49   0.02   0.02) =   0.000%
          HA    ASP-  78 - QD2   LEU   98  15.98 +/- 0.69   0.003% *  0.0732% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 948 (0.56, 0.56, 25.66 ppm):
    2 diagonal assignments:
    *     QD1   LEU   80 - QD1   LEU   80  (0.42)  kept
          QD2   LEU   98 - QD2   LEU   98  (0.24)  kept
 
    Peak 949 (4.10, 4.10, 60.05 ppm):
    1 diagonal assignment:
    *     HA    LYS+  81 - HA    LYS+  81  (1.00)  kept
 
    Peak 950 (1.87, 4.10, 60.05 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 101.2:
    * O T QB    LYS+  81 - HA    LYS+  81   2.33 +/- 0.06  99.660% * 96.6148% (1.00   4.97 101.25) =  99.999%  kept
          HB3   GLN   90 - HA    LYS+  81   6.89 +/- 1.98   0.330% *  0.3850% (0.99   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LYS+  81  15.01 +/- 0.36   0.001% *  0.3876% (1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+  81  12.56 +/- 0.77   0.004% *  0.0969% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+  81  15.68 +/- 0.52   0.001% *  0.1458% (0.38   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+  81  17.77 +/- 0.44   0.001% *  0.2821% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+  81  19.03 +/- 0.47   0.000% *  0.3749% (0.97   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LYS+  81  18.83 +/- 0.40   0.000% *  0.3244% (0.84   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HA    LYS+  81  20.27 +/- 0.99   0.000% *  0.3369% (0.87   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    LYS+  81  20.98 +/- 0.48   0.000% *  0.3483% (0.90   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HA    LYS+  81  16.93 +/- 0.63   0.001% *  0.0599% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+  81  26.79 +/- 0.66   0.000% *  0.2199% (0.57   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HA    LYS+  81  29.41 +/- 0.76   0.000% *  0.3110% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+  81  24.25 +/- 0.39   0.000% *  0.0526% (0.14   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+  81  29.21 +/- 0.58   0.000% *  0.0599% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 951 (1.56, 4.10, 60.05 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.19, residual support = 101.2:
    * O T QG    LYS+  81 - HA    LYS+  81   2.43 +/- 0.10  99.994% * 98.9377% (1.00   4.19 101.25) = 100.000%  kept
          HD3   LYS+  74 - HA    LYS+  81  13.41 +/- 1.07   0.004% *  0.1053% (0.22   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - HA    LYS+  81  17.99 +/- 1.17   0.001% *  0.4686% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+  81  21.04 +/- 0.49   0.000% *  0.3949% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  81  19.88 +/- 0.56   0.000% *  0.0936% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 952 (1.77, 4.10, 60.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 101.2:
    *   T QD    LYS+  81 - HA    LYS+  81   3.96 +/- 0.34  99.861% * 98.6028% (1.00   3.44 101.25) =  99.999%  kept
          HB    VAL   43 - HA    LYS+  81  12.13 +/- 0.22   0.133% *  0.5682% (0.99   0.02   0.02) =   0.001%
          HB2   LYS+  99 - HA    LYS+  81  23.27 +/- 0.51   0.003% *  0.5720% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  81  23.71 +/- 0.67   0.002% *  0.2570% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 953 (3.11, 4.10, 60.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 101.2:
    *   T QE    LYS+  81 - HA    LYS+  81   3.20 +/- 0.44  99.985% * 99.8983% (1.00   3.44 101.25) = 100.000%  kept
          HB3   TRP   49 - HA    LYS+  81  14.48 +/- 0.59   0.015% *  0.1017% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 954 (4.10, 1.87, 32.96 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.97, residual support = 101.2:
    * O T HA    LYS+  81 - QB    LYS+  81   2.33 +/- 0.06  99.929% * 98.6830% (1.00   4.97 101.25) = 100.000%  kept
        T HA    ARG+  54 - HB3   PRO   52   7.95 +/- 0.09   0.064% *  0.0294% (0.07   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    LYS+  81  13.96 +/- 0.54   0.002% *  0.0695% (0.18   0.02   0.02) =   0.000%
        T HA    ARG+  54 - QB    LYS+  81  19.39 +/- 0.55   0.000% *  0.2567% (0.65   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HB3   PRO   52  16.93 +/- 0.63   0.001% *  0.0455% (0.11   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    LYS+  81  24.35 +/- 0.48   0.000% *  0.3889% (0.98   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   PRO   52  12.90 +/- 0.63   0.004% *  0.0070% (0.02   0.02   0.02) =   0.000%
        T HA    LEU  115 - QB    LYS+  81  20.91 +/- 0.53   0.000% *  0.0612% (0.15   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    LYS+  81  31.91 +/- 0.63   0.000% *  0.3032% (0.76   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    LYS+  81  27.39 +/- 0.29   0.000% *  0.0612% (0.15   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   PRO   52  27.95 +/- 0.61   0.000% *  0.0348% (0.09   0.02   0.02) =   0.000%
        T HA    LYS+  66 - HB3   PRO   52  23.05 +/- 0.66   0.000% *  0.0070% (0.02   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   PRO   52  33.85 +/- 0.26   0.000% *  0.0446% (0.11   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   PRO   52  25.66 +/- 0.48   0.000% *  0.0080% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 955 (1.87, 1.87, 32.96 ppm):
    2 diagonal assignments:
    *     QB    LYS+  81 - QB    LYS+  81  (1.00)  kept
          HB3   PRO   52 - HB3   PRO   52  (0.02)  kept
 
    Peak 956 (1.56, 1.87, 32.96 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.5, residual support = 101.2:
    * O T QG    LYS+  81 - QB    LYS+  81   2.10 +/- 0.01  99.982% * 98.8498% (1.00   4.50 101.25) = 100.000%  kept
          HD3   LYS+  74 - QB    LYS+  81  13.90 +/- 0.95   0.001% *  0.0978% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   PRO   52   9.44 +/- 0.57   0.013% *  0.0100% (0.02   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - QB    LYS+  81  17.94 +/- 1.06   0.000% *  0.4352% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+  81  20.56 +/- 0.52   0.000% *  0.3668% (0.84   0.02   0.02) =   0.000%
        T QG    LYS+  81 - HB3   PRO   52  15.38 +/- 0.70   0.001% *  0.0504% (0.11   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   PRO   52  12.43 +/- 0.60   0.002% *  0.0112% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  81  19.37 +/- 0.68   0.000% *  0.0869% (0.20   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - HB3   PRO   52  18.32 +/- 0.76   0.000% *  0.0499% (0.11   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HB3   PRO   52  28.07 +/- 0.64   0.000% *  0.0421% (0.10   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 957 (1.77, 1.87, 32.96 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 101.2:
    * O T QD    LYS+  81 - QB    LYS+  81   2.34 +/- 0.11  99.994% * 98.5099% (1.00   3.74 101.25) = 100.000%  kept
          HB    VAL   43 - QB    LYS+  81  13.06 +/- 0.21   0.003% *  0.5216% (0.99   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HB3   PRO   52  15.30 +/- 0.97   0.002% *  0.0604% (0.11   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    LYS+  81  22.84 +/- 0.45   0.000% *  0.5251% (1.00   0.02   0.02) =   0.000%
          HB    VAL   43 - HB3   PRO   52  16.60 +/- 0.23   0.001% *  0.0598% (0.11   0.02   0.02) =   0.000%
          HB3   GLN   17 - QB    LYS+  81  23.09 +/- 0.60   0.000% *  0.2359% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   52  25.84 +/- 0.65   0.000% *  0.0602% (0.11   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB3   PRO   52  22.98 +/- 0.85   0.000% *  0.0271% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 958 (3.11, 1.87, 32.96 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 101.2:
    *     QE    LYS+  81 - QB    LYS+  81   2.26 +/- 0.32  99.964% * 99.8347% (1.00   3.74 101.25) = 100.000%  kept
          HB3   TRP   49 - HB3   PRO   52   9.17 +/- 0.04   0.030% *  0.0107% (0.02   0.02   3.49) =   0.000%
          HB3   TRP   49 - QB    LYS+  81  13.34 +/- 0.68   0.003% *  0.0934% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  81 - HB3   PRO   52  14.21 +/- 1.35   0.003% *  0.0612% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 959 (4.10, 1.56, 25.02 ppm):
    21 chemical-shift based assignments, quality = 1.0, support = 4.19, residual support = 101.2:
    * O T HA    LYS+  81 - QG    LYS+  81   2.43 +/- 0.10  99.877% * 97.4015% (1.00   4.19 101.25) = 100.000%  kept
          HA    GLU-  36 - HG2   LYS+  33   8.69 +/- 0.48   0.052% *  0.2184% (0.47   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+  33   8.86 +/- 0.37   0.045% *  0.0390% (0.08   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+ 106  10.41 +/- 0.68   0.019% *  0.0158% (0.03   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    LYS+  81  13.78 +/- 0.41   0.003% *  0.0815% (0.18   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    LYS+  81  17.88 +/- 0.43   0.001% *  0.3011% (0.65   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+ 106  17.99 +/- 1.17   0.001% *  0.1024% (0.22   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   LYS+  33  21.04 +/- 0.49   0.000% *  0.2228% (0.48   0.02   0.02) =   0.000%
          HA    GLU-  36 - QG    LYS+  81  24.30 +/- 0.38   0.000% *  0.4562% (0.98   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+ 106  19.06 +/- 0.86   0.000% *  0.0783% (0.17   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+  33  18.36 +/- 1.39   0.001% *  0.0344% (0.07   0.02   0.02) =   0.000%
          HA    LEU  115 - QG    LYS+  81  20.41 +/- 0.41   0.000% *  0.0718% (0.15   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   LYS+  33  24.04 +/- 1.76   0.000% *  0.1703% (0.37   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   LYS+ 106  21.94 +/- 1.14   0.000% *  0.1004% (0.22   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+ 106  21.47 +/- 0.79   0.000% *  0.0662% (0.14   0.02   0.02) =   0.000%
          HA    ARG+  54 - HG2   LYS+  33  25.81 +/- 0.83   0.000% *  0.1442% (0.31   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   LYS+ 106  18.64 +/- 1.57   0.001% *  0.0179% (0.04   0.02   0.02) =   0.000%
          HA    ALA  124 - QG    LYS+  81  31.42 +/- 0.59   0.000% *  0.3557% (0.76   0.02   0.02) =   0.000%
          HA    LEU  115 - HG2   LYS+  33  23.05 +/- 1.27   0.000% *  0.0344% (0.07   0.02   0.02) =   0.000%
          HA    LYS+  66 - HG2   LYS+ 106  20.34 +/- 0.83   0.000% *  0.0158% (0.03   0.02   0.02) =   0.000%
          HA    LYS+  66 - QG    LYS+  81  26.30 +/- 0.23   0.000% *  0.0718% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 0.789, support = 4.85, residual support = 118.4:
    * O T QB    LYS+  81 - QG    LYS+  81   2.10 +/- 0.01  43.895% * 52.8064% (1.00   4.50 101.25) =  65.019%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.24 +/- 0.07  29.580% * 30.7630% (0.46   5.68 157.76) =  25.525%  kept
      O T QB    LYS+ 106 - HG2   LYS+ 106   2.30 +/- 0.09  26.021% * 12.9536% (0.22   5.03 130.11) =   9.455%  kept
          HB    ILE  103 - HG2   LYS+ 106   5.24 +/- 0.61   0.226% *  0.0431% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   7.47 +/- 1.72   0.037% *  0.2325% (0.99   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+  33   5.62 +/- 0.46   0.137% *  0.0422% (0.18   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+ 106   6.06 +/- 0.58   0.096% *  0.0463% (0.20   0.02  19.68) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.29 +/- 1.04   0.002% *  0.0636% (0.27   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  12.03 +/- 0.82   0.001% *  0.0585% (0.25   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  15.32 +/- 0.38   0.000% *  0.2341% (1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  16.58 +/- 0.46   0.000% *  0.1703% (0.73   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  15.05 +/- 0.51   0.000% *  0.0880% (0.38   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  17.97 +/- 0.48   0.000% *  0.2264% (0.97   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  17.89 +/- 0.98   0.000% *  0.2035% (0.87   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  15.92 +/- 1.48   0.000% *  0.0899% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  15.32 +/- 1.14   0.000% *  0.0512% (0.22   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  19.19 +/- 0.38   0.000% *  0.1959% (0.84   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  15.26 +/- 0.75   0.000% *  0.0375% (0.16   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QG    LYS+  81  15.38 +/- 0.70   0.000% *  0.0362% (0.15   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  20.72 +/- 0.44   0.000% *  0.2104% (0.90   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  18.86 +/- 0.89   0.000% *  0.1121% (0.48   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  19.01 +/- 1.29   0.000% *  0.1007% (0.43   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.81 +/- 0.92   0.000% *  0.0938% (0.40   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  17.94 +/- 1.06   0.000% *  0.0516% (0.22   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  20.56 +/- 0.52   0.000% *  0.1123% (0.48   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  14.64 +/- 1.15   0.000% *  0.0129% (0.05   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  19.26 +/- 1.24   0.000% *  0.0498% (0.21   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  18.80 +/- 1.05   0.000% *  0.0292% (0.12   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  20.85 +/- 2.20   0.000% *  0.0413% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  18.41 +/- 1.46   0.000% *  0.0194% (0.08   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  25.01 +/- 1.57   0.000% *  0.1113% (0.47   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  25.77 +/- 0.53   0.000% *  0.1328% (0.57   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  27.52 +/- 0.55   0.000% *  0.1878% (0.80   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  24.09 +/- 0.88   0.000% *  0.0816% (0.35   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 106  16.72 +/- 0.65   0.000% *  0.0080% (0.03   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  22.67 +/- 1.17   0.000% *  0.0448% (0.19   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  22.33 +/- 0.31   0.000% *  0.0317% (0.14   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  27.55 +/- 0.86   0.000% *  0.0974% (0.42   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+ 106  18.32 +/- 0.76   0.000% *  0.0080% (0.03   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  19.17 +/- 0.74   0.000% *  0.0070% (0.03   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+  33  23.48 +/- 1.35   0.000% *  0.0173% (0.07   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  23.77 +/- 1.11   0.000% *  0.0152% (0.06   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.36 +/- 0.60   0.000% *  0.0280% (0.12   0.02   0.02) =   0.000%
          HG    LEU  123 - QG    LYS+  81  27.55 +/- 0.47   0.000% *  0.0362% (0.15   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HG2   LYS+  33  28.07 +/- 0.64   0.000% *  0.0173% (0.07   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 961 (1.56, 1.56, 25.02 ppm):
    3 diagonal assignments:
    *     QG    LYS+  81 - QG    LYS+  81  (1.00)  kept
          HG2   LYS+  33 - HG2   LYS+  33  (0.40)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.22)  kept
 
    Peak 962 (1.77, 1.56, 25.02 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 3.72, residual support = 101.2:
    * O T QD    LYS+  81 - QG    LYS+  81   2.04 +/- 0.01  99.973% * 97.4615% (1.00   3.72 101.25) = 100.000%  kept
          HB    VAL   43 - HG2   LYS+ 106   9.42 +/- 1.30   0.016% *  0.1144% (0.22   0.02   0.02) =   0.000%
          HB    VAL   43 - QG    LYS+  81  12.69 +/- 0.24   0.002% *  0.5199% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+ 106  10.80 +/- 0.72   0.005% *  0.1152% (0.22   0.02   0.02) =   0.000%
          HB    VAL   43 - HG2   LYS+  33  13.58 +/- 0.78   0.001% *  0.2489% (0.47   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG2   LYS+  33  14.66 +/- 1.28   0.001% *  0.2506% (0.48   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+  33  13.06 +/- 1.28   0.002% *  0.1126% (0.21   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    LYS+  81  22.88 +/- 0.51   0.000% *  0.5234% (1.00   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+  33  21.75 +/- 0.46   0.000% *  0.2512% (0.48   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG    LYS+  81  21.59 +/- 0.63   0.000% *  0.2352% (0.45   0.02   0.02) =   0.000%
        T QD    LYS+  81 - HG2   LYS+ 106  19.36 +/- 1.17   0.000% *  0.1154% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 106  23.38 +/- 1.10   0.000% *  0.0517% (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 = 3.72, residual support = 101.2:
    * O   QE    LYS+  81 - QG    LYS+  81   2.28 +/- 0.11  99.994% * 99.4666% (1.00   3.72 101.25) = 100.000%  kept
          HB3   TRP   49 - QG    LYS+  81  11.89 +/- 0.54   0.006% *  0.0938% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+ 106  18.04 +/- 1.25   0.000% *  0.1178% (0.22   0.02   0.02) =   0.000%
          QE    LYS+  81 - HG2   LYS+  33  21.15 +/- 1.02   0.000% *  0.2563% (0.48   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+ 106  24.08 +/- 1.03   0.000% *  0.0206% (0.04   0.02   0.02) =   0.000%
          HB3   TRP   49 - HG2   LYS+  33  28.68 +/- 0.52   0.000% *  0.0449% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 964 (4.10, 1.77, 29.62 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 101.2:
    *   T HA    LYS+  81 - QD    LYS+  81   3.96 +/- 0.34  99.953% * 98.3559% (1.00   3.44 101.25) = 100.000%  kept
          HA    ARG+  54 - QD    LYS+  81  18.18 +/- 0.75   0.011% *  0.3699% (0.65   0.02   0.02) =   0.000%
          HA    ASN   28 - QD    LYS+  81  15.65 +/- 0.53   0.029% *  0.1001% (0.18   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD    LYS+  81  26.16 +/- 0.44   0.001% *  0.5605% (0.98   0.02   0.02) =   0.000%
          HA    LEU  115 - QD    LYS+  81  21.26 +/- 0.86   0.004% *  0.0882% (0.15   0.02   0.02) =   0.000%
          HA    ALA  124 - QD    LYS+  81  32.72 +/- 0.76   0.000% *  0.4370% (0.76   0.02   0.02) =   0.000%
          HA    LYS+  66 - QD    LYS+  81  27.62 +/- 0.59   0.001% *  0.0882% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 965 (1.87, 1.77, 29.62 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 3.74, residual support = 101.2:
    * O T QB    LYS+  81 - QD    LYS+  81   2.34 +/- 0.11  99.711% * 95.5514% (1.00   3.74 101.25) =  99.999%  kept
          HB3   GLN   90 - QD    LYS+  81   7.49 +/- 1.90   0.276% *  0.5059% (0.99   0.02   0.02) =   0.001%
          HB2   MET   92 - QD    LYS+  81  12.03 +/- 1.21   0.008% *  0.1273% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD    LYS+  81  16.21 +/- 0.65   0.001% *  0.5093% (1.00   0.02   0.02) =   0.000%
          HB    ILE   56 - QD    LYS+  81  17.09 +/- 0.88   0.001% *  0.3707% (0.73   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  81  18.00 +/- 1.30   0.001% *  0.4428% (0.87   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  81  19.64 +/- 0.52   0.000% *  0.4926% (0.97   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  81  16.92 +/- 0.50   0.001% *  0.1916% (0.38   0.02   0.02) =   0.000%
        T HB3   PRO   52 - QD    LYS+  81  15.30 +/- 0.97   0.002% *  0.0788% (0.15   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  81  20.47 +/- 0.58   0.000% *  0.4264% (0.84   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  81  21.95 +/- 0.78   0.000% *  0.4578% (0.90   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  81  29.04 +/- 0.69   0.000% *  0.4087% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+  81  27.55 +/- 0.56   0.000% *  0.2890% (0.57   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  81  23.10 +/- 0.71   0.000% *  0.0691% (0.14   0.02   0.02) =   0.000%
          HG    LEU  123 - QD    LYS+  81  28.66 +/- 0.82   0.000% *  0.0788% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 966 (1.56, 1.77, 29.62 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.72, residual support = 101.2:
    * O T QG    LYS+  81 - QD    LYS+  81   2.04 +/- 0.01  99.998% * 98.8051% (1.00   3.72 101.25) = 100.000%  kept
          HD3   LYS+  74 - QD    LYS+  81  13.46 +/- 1.03   0.001% *  0.1184% (0.22   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - QD    LYS+  81  19.36 +/- 1.17   0.000% *  0.5271% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  81  21.75 +/- 0.46   0.000% *  0.4442% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  81  19.50 +/- 1.02   0.000% *  0.1052% (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 = 101.2:
    * O   QE    LYS+  81 - QD    LYS+  81   2.09 +/- 0.02  99.995% * 99.8834% (1.00   3.00 101.25) = 100.000%  kept
          HB3   TRP   49 - QD    LYS+  81  11.20 +/- 0.83   0.005% *  0.1166% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 969 (4.10, 3.11, 42.12 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.44, residual support = 101.2:
    *   T HA    LYS+  81 - QE    LYS+  81   3.20 +/- 0.44  99.977% * 98.3559% (1.00   3.44 101.25) = 100.000%  kept
          HA    ARG+  54 - QE    LYS+  81  17.26 +/- 1.03   0.005% *  0.3699% (0.65   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    LYS+  81  15.24 +/- 0.93   0.015% *  0.1001% (0.18   0.02   0.02) =   0.000%
          HA    GLU-  36 - QE    LYS+  81  25.54 +/- 0.75   0.001% *  0.5605% (0.98   0.02   0.02) =   0.000%
          HA    LEU  115 - QE    LYS+  81  19.89 +/- 1.13   0.002% *  0.0882% (0.15   0.02   0.02) =   0.000%
          HA    ALA  124 - QE    LYS+  81  31.42 +/- 0.98   0.000% *  0.4370% (0.76   0.02   0.02) =   0.000%
          HA    LYS+  66 - QE    LYS+  81  26.52 +/- 0.74   0.000% *  0.0882% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 973 (3.11, 3.11, 42.12 ppm):
    1 diagonal assignment:
    *     QE    LYS+  81 - QE    LYS+  81  (1.00)  kept
 
    Peak 974 (4.20, 4.20, 61.23 ppm):
    2 diagonal assignments:
    *     HA    SER   82 - HA    SER   82  (1.00)  kept
          HA    GLU-  25 - HA    GLU-  25  (0.20)  kept
 
    Peak 975 (3.99, 4.20, 61.23 ppm):
    20 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 33.5:
    * O T HB2   SER   82 - HA    SER   82   2.76 +/- 0.07  98.779% * 94.1983% (0.95   2.96  33.53) =  99.997%  kept
          HA    GLU-  29 - HA    GLU-  25   5.93 +/- 0.24   1.063% *  0.1892% (0.28   0.02   0.18) =   0.002%
          HA    ALA   88 - HA    SER   82   9.10 +/- 0.19   0.079% *  0.5147% (0.76   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    GLU-  25  10.49 +/- 0.34   0.034% *  0.1584% (0.24   0.02   0.02) =   0.000%
        T HB2   SER   82 - HA    GLU-  25  11.17 +/- 0.66   0.025% *  0.2064% (0.31   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    SER   82  16.19 +/- 0.59   0.003% *  0.6371% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    GLU-  25  12.89 +/- 0.29   0.010% *  0.1584% (0.24   0.02   0.02) =   0.000%
          HA    GLU-  29 - HA    SER   82  17.61 +/- 0.66   0.002% *  0.5842% (0.87   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   82  19.13 +/- 0.77   0.001% *  0.4891% (0.73   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    GLU-  25  17.10 +/- 0.26   0.002% *  0.1957% (0.29   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    SER   82  19.36 +/- 0.54   0.001% *  0.3543% (0.53   0.02   0.02) =   0.000%
          HA    VAL   18 - HA    SER   82  21.81 +/- 0.42   0.000% *  0.6040% (0.90   0.02   0.02) =   0.000%
        T HA    SER   48 - HA    GLU-  25  19.38 +/- 0.61   0.001% *  0.2064% (0.31   0.02   0.02) =   0.000%
          HA    LYS+  33 - HA    SER   82  22.67 +/- 0.73   0.000% *  0.4891% (0.73   0.02   0.02) =   0.000%
          HA    ALA   88 - HA    GLU-  25  19.02 +/- 0.39   0.001% *  0.1667% (0.25   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    GLU-  25  20.22 +/- 0.33   0.001% *  0.0897% (0.13   0.02   0.02) =   0.000%
        T HA    VAL   70 - HA    SER   82  25.33 +/- 0.43   0.000% *  0.2769% (0.41   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    GLU-  25  24.49 +/- 0.44   0.000% *  0.1148% (0.17   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    SER   82  28.79 +/- 0.51   0.000% *  0.2769% (0.41   0.02   0.02) =   0.000%
          HA    GLN  116 - HA    GLU-  25  31.00 +/- 0.35   0.000% *  0.0897% (0.13   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 976 (3.85, 4.20, 61.23 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 33.5:
    * O T HB3   SER   82 - HA    SER   82   2.93 +/- 0.15  99.777% * 93.7438% (1.00   2.00  33.53) =  99.999%  kept
          HA    ILE   89 - HA    SER   82  10.54 +/- 0.42   0.050% *  0.6439% (0.69   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    GLU-  25   9.31 +/- 0.28   0.103% *  0.1719% (0.18   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    GLU-  25  10.55 +/- 0.86   0.055% *  0.3037% (0.32   0.02   0.02) =   0.000%
          QB    SER   13 - HA    GLU-  25  17.53 +/- 3.19   0.004% *  0.2634% (0.28   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   82  19.11 +/- 0.64   0.001% *  0.5307% (0.57   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    SER   82  20.07 +/- 0.60   0.001% *  0.6064% (0.65   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    GLU-  25  16.91 +/- 0.44   0.003% *  0.2086% (0.22   0.02   0.02) =   0.000%
          HB    THR   39 - HA    GLU-  25  18.02 +/- 0.39   0.002% *  0.2536% (0.27   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    GLU-  25  18.85 +/- 0.43   0.001% *  0.2086% (0.22   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   82  24.47 +/- 0.51   0.000% *  0.7830% (0.84   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   82  24.63 +/- 0.75   0.000% *  0.6439% (0.69   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   82  26.64 +/- 2.49   0.000% *  0.8132% (0.87   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    SER   82  20.65 +/- 0.73   0.001% *  0.1855% (0.20   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   82  24.56 +/- 0.51   0.000% *  0.2893% (0.31   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    GLU-  25  25.88 +/- 0.46   0.000% *  0.1964% (0.21   0.02   0.02) =   0.000%
        T HB2   CYS   53 - HA    GLU-  25  23.26 +/- 0.68   0.000% *  0.0601% (0.06   0.02   0.02) =   0.000%
          HB    THR  118 - HA    GLU-  25  27.45 +/- 0.34   0.000% *  0.0937% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 977 (4.20, 3.99, 61.93 ppm):
    15 chemical-shift based assignments, quality = 0.946, support = 2.96, residual support = 33.5:
    * O T HA    SER   82 - HB2   SER   82   2.76 +/- 0.07  99.912% * 97.6118% (0.95   2.96  33.53) = 100.000%  kept
        T HA    GLU-  25 - HB2   SER   82  11.17 +/- 0.66   0.025% *  0.4004% (0.57   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    SER   48  10.52 +/- 0.16   0.033% *  0.0635% (0.09   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    VAL   70  12.55 +/- 0.43   0.012% *  0.0860% (0.12   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    SER   48  16.19 +/- 0.59   0.003% *  0.3625% (0.52   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    VAL   70  13.40 +/- 0.24   0.008% *  0.0637% (0.09   0.02   0.02) =   0.000%
          HA    ILE   19 - HA    SER   48  15.67 +/- 0.90   0.003% *  0.1360% (0.19   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    SER   48  19.38 +/- 0.61   0.001% *  0.2199% (0.32   0.02   0.02) =   0.000%
          HA    ILE   19 - HB2   SER   82  19.97 +/- 0.57   0.001% *  0.2478% (0.36   0.02   0.02) =   0.000%
        T HA    GLU-  25 - HA    VAL   70  20.22 +/- 0.33   0.001% *  0.1390% (0.20   0.02   0.02) =   0.000%
          HA    ASP-  62 - HA    SER   48  20.65 +/- 0.44   0.001% *  0.1008% (0.14   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   SER   82  21.53 +/- 0.42   0.000% *  0.1156% (0.17   0.02   0.02) =   0.000%
        T HA    SER   82 - HA    VAL   70  25.33 +/- 0.43   0.000% *  0.2292% (0.33   0.02   0.02) =   0.000%
          HA    CYS   53 - HA    VAL   70  20.45 +/- 0.39   0.001% *  0.0401% (0.06   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB2   SER   82  29.12 +/- 0.29   0.000% *  0.1836% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 978 (3.99, 3.99, 61.93 ppm):
    3 diagonal assignments:
    *     HB2   SER   82 - HB2   SER   82  (0.89)  kept
          HA    SER   48 - HA    SER   48  (0.49)  kept
          HA    VAL   70 - HA    VAL   70  (0.14)  kept
 
    Peak 979 (3.85, 3.99, 61.93 ppm):
    27 chemical-shift based assignments, quality = 0.946, support = 2.37, residual support = 33.5:
    * O T HB3   SER   82 - HB2   SER   82   1.75 +/- 0.00  99.445% * 92.2338% (0.95   2.37  33.53) =  99.999%  kept
          HB    THR   39 - HA    VAL   70   4.34 +/- 0.40   0.515% *  0.2254% (0.27   0.02   0.02) =   0.001%
        T HB3   SER   37 - HA    VAL   70   7.21 +/- 0.38   0.022% *  0.1854% (0.23   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    SER   48   8.82 +/- 0.14   0.006% *  0.2761% (0.34   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    SER   48   8.42 +/- 0.27   0.008% *  0.0845% (0.10   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   SER   82  12.56 +/- 0.38   0.001% *  0.5339% (0.65   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    VAL   70  11.84 +/- 0.39   0.001% *  0.1528% (0.19   0.02   0.02) =   0.000%
        T QB    SER   13 - HA    VAL   70  13.56 +/- 1.79   0.001% *  0.2341% (0.28   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    SER   48  14.18 +/- 0.87   0.000% *  0.2932% (0.36   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    SER   48  16.91 +/- 0.68   0.000% *  0.4268% (0.52   0.02   0.02) =   0.000%
          HA    GLN   30 - HB2   SER   82  17.99 +/- 0.77   0.000% *  0.4401% (0.54   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HB2   SER   82  21.07 +/- 0.55   0.000% *  0.5028% (0.61   0.02   0.02) =   0.000%
          HB    THR  118 - HA    VAL   70  15.66 +/- 0.39   0.000% *  0.0833% (0.10   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   SER   82  24.28 +/- 0.63   0.000% *  0.6493% (0.79   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   SER   82  25.51 +/- 2.64   0.000% *  0.6743% (0.82   0.02   0.02) =   0.000%
          QB    SER   13 - HA    SER   48  23.19 +/- 1.82   0.000% *  0.3702% (0.45   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   SER   82  24.19 +/- 0.84   0.000% *  0.5339% (0.65   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    SER   48  21.33 +/- 0.71   0.000% *  0.2416% (0.29   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    VAL   70  20.95 +/- 0.39   0.000% *  0.1854% (0.23   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   SER   82  21.18 +/- 0.69   0.000% *  0.1538% (0.19   0.02   0.02) =   0.000%
        T HB3   SER   82 - HA    VAL   70  24.31 +/- 0.74   0.000% *  0.2699% (0.33   0.02   0.02) =   0.000%
          HB    THR  118 - HA    SER   48  21.90 +/- 0.27   0.000% *  0.1317% (0.16   0.02   0.02) =   0.000%
          HB    THR   39 - HA    SER   48  26.24 +/- 0.42   0.000% *  0.3565% (0.43   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   SER   82  26.02 +/- 0.42   0.000% *  0.2399% (0.29   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    SER   48  27.39 +/- 0.68   0.000% *  0.2932% (0.36   0.02   0.02) =   0.000%
          HB2   CYS   53 - HA    VAL   70  21.27 +/- 0.57   0.000% *  0.0534% (0.07   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HA    VAL   70  26.05 +/- 0.32   0.000% *  0.1746% (0.21   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 980 (4.20, 3.85, 61.93 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 33.5:
    * O T HA    SER   82 - HB3   SER   82   2.93 +/- 0.15  99.943% * 98.5853% (1.00   2.00  33.53) = 100.000%  kept
        T HA    GLU-  25 - HB3   SER   82  10.55 +/- 0.86   0.055% *  0.5980% (0.61   0.02   0.02) =   0.000%
          HA    ILE   19 - HB3   SER   82  19.61 +/- 0.76   0.001% *  0.3700% (0.38   0.02   0.02) =   0.000%
        T HA    CYS   53 - HB3   SER   82  21.67 +/- 0.44   0.001% *  0.1727% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  62 - HB3   SER   82  28.69 +/- 0.44   0.000% *  0.2741% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 981 (3.99, 3.85, 61.93 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 2.37, residual support = 33.5:
    * O T HB2   SER   82 - HB3   SER   82   1.75 +/- 0.00  99.998% * 94.7055% (0.95   2.37  33.53) = 100.000%  kept
          HA    ALA   88 - HB3   SER   82  11.03 +/- 0.16   0.002% *  0.6448% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB3   SER   82  15.11 +/- 0.97   0.000% *  0.7319% (0.87   0.02   0.02) =   0.000%
        T HA    SER   48 - HB3   SER   82  16.91 +/- 0.68   0.000% *  0.7981% (0.95   0.02   0.02) =   0.000%
          HA    GLN   32 - HB3   SER   82  16.94 +/- 0.99   0.000% *  0.6127% (0.73   0.02   0.02) =   0.000%
          HA    VAL   18 - HB3   SER   82  20.99 +/- 0.66   0.000% *  0.7567% (0.90   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB3   SER   82  20.53 +/- 1.02   0.000% *  0.6127% (0.73   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HB3   SER   82  20.73 +/- 0.50   0.000% *  0.4439% (0.53   0.02   0.02) =   0.000%
        T HA    VAL   70 - HB3   SER   82  24.31 +/- 0.74   0.000% *  0.3469% (0.41   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   SER   82  29.58 +/- 0.47   0.000% *  0.3469% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.41 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 = 87.8:
    * O T HB    VAL   83 - HA    VAL   83   3.00 +/- 0.08  99.980% * 97.0068% (0.90   3.97  87.80) = 100.000%  kept
        T HD2   LYS+  74 - HA    VAL   83  14.66 +/- 1.25   0.008% *  0.4166% (0.76   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    VAL   83  17.20 +/- 0.93   0.003% *  0.2046% (0.38   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    VAL   83  20.10 +/- 0.86   0.001% *  0.4166% (0.76   0.02   0.02) =   0.000%
        T QB    ALA   57 - HA    VAL   83  18.94 +/- 0.43   0.002% *  0.2444% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    VAL   83  17.37 +/- 0.72   0.003% *  0.1079% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    VAL   83  18.40 +/- 0.36   0.002% *  0.1214% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    VAL   83  24.03 +/- 0.49   0.000% *  0.5261% (0.97   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    VAL   83  24.53 +/- 0.86   0.000% *  0.5157% (0.95   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    VAL   83  24.08 +/- 1.01   0.000% *  0.2241% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    VAL   83  29.26 +/- 0.73   0.000% *  0.1079% (0.20   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    VAL   83  30.08 +/- 0.98   0.000% *  0.1079% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 4.25, residual support = 87.8:
    * O T QG1   VAL   83 - HA    VAL   83   2.33 +/- 0.19  99.511% * 98.0842% (0.87   4.25  87.80) =  99.998%  kept
          QD2   LEU   80 - HA    VAL   83   5.96 +/- 0.44   0.405% *  0.4259% (0.80   0.02   0.02) =   0.002%
          QG2   ILE   89 - HA    VAL   83   8.18 +/- 0.17   0.063% *  0.1326% (0.25   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    VAL   83   9.93 +/- 0.52   0.020% *  0.2187% (0.41   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   83  17.44 +/- 0.52   0.001% *  0.5133% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   83  16.75 +/- 0.48   0.001% *  0.2187% (0.41   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   83  20.25 +/- 0.58   0.000% *  0.4065% (0.76   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.01 A, kept.
 
    Peak 986 (0.08, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.46, residual support = 87.8:
    * O T QG2   VAL   83 - HA    VAL   83   2.47 +/- 0.11  99.852% * 99.2779% (1.00   4.46  87.80) =  99.999%  kept
          QD1   ILE   89 - HA    VAL   83   8.04 +/- 0.25   0.085% *  0.3990% (0.90   0.02   0.02) =   0.000%
          QD2   LEU   31 - HA    VAL   83   8.61 +/- 0.66   0.063% *  0.3231% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 987 (3.81, 1.66, 32.03 ppm):
    5 chemical-shift based assignments, quality = 0.897, support = 3.97, residual support = 87.8:
    * O T HA    VAL   83 - HB    VAL   83   3.00 +/- 0.08  99.994% * 98.6893% (0.90   3.97  87.80) = 100.000%  kept
        T HA    GLU- 100 - HB    VAL   83  19.18 +/- 0.91   0.002% *  0.4963% (0.89   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB    VAL   83  17.81 +/- 0.84   0.002% *  0.2230% (0.40   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB    VAL   83  22.41 +/- 0.49   0.001% *  0.4930% (0.89   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HB    VAL   83  19.55 +/- 0.61   0.001% *  0.0984% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 4.3, residual support = 87.8:
    * O T QG1   VAL   83 - HB    VAL   83   2.14 +/- 0.00  94.010% * 98.1079% (0.78   4.31  87.80) =  99.973%  kept
          QD2   LEU   80 - HB    VAL   83   3.58 +/- 0.45   5.914% *  0.4207% (0.72   0.02   0.02) =   0.027%
          QG2   ILE   89 - HB    VAL   83   7.51 +/- 0.29   0.051% *  0.1310% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB    VAL   83   8.62 +/- 0.48   0.023% *  0.2160% (0.37   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   83  17.57 +/- 0.55   0.000% *  0.5070% (0.87   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   83  15.79 +/- 0.50   0.001% *  0.2160% (0.37   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   83  19.37 +/- 0.56   0.000% *  0.4015% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 990 (0.08, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.52, residual support = 87.8:
    * O T QG2   VAL   83 - HB    VAL   83   2.13 +/- 0.01  99.912% * 99.2873% (0.90   4.52  87.80) = 100.000%  kept
          QD1   ILE   89 - HB    VAL   83   7.90 +/- 0.32   0.040% *  0.3938% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    VAL   83   7.77 +/- 0.60   0.048% *  0.3189% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 4.25, residual support = 87.8:
    * O T HA    VAL   83 - QG1   VAL   83   2.33 +/- 0.19  99.996% * 98.7755% (0.87   4.25  87.80) = 100.000%  kept
          HA    GLU- 100 - QG1   VAL   83  15.46 +/- 0.88   0.001% *  0.4636% (0.87   0.02   0.02) =   0.000%
          HB2   CYS   53 - QG1   VAL   83  16.55 +/- 0.95   0.001% *  0.2083% (0.39   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG1   VAL   83  20.24 +/- 0.77   0.000% *  0.4605% (0.86   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG1   VAL   83  15.68 +/- 0.66   0.001% *  0.0920% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 4.31, residual support = 87.8:
    * O T HB    VAL   83 - QG1   VAL   83   2.14 +/- 0.00  99.990% * 97.2349% (0.78   4.31  87.80) = 100.000%  kept
          HD2   LYS+  74 - QG1   VAL   83  11.62 +/- 1.20   0.005% *  0.3849% (0.66   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG1   VAL   83  12.99 +/- 0.69   0.002% *  0.0997% (0.17   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG1   VAL   83  16.32 +/- 0.70   0.001% *  0.3849% (0.66   0.02   0.02) =   0.000%
          QB    ALA   57 - QG1   VAL   83  15.61 +/- 0.70   0.001% *  0.2258% (0.39   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG1   VAL   83  15.18 +/- 0.65   0.001% *  0.1890% (0.33   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG1   VAL   83  19.71 +/- 0.95   0.000% *  0.4764% (0.82   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG1   VAL   83  15.92 +/- 0.72   0.001% *  0.1121% (0.19   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG1   VAL   83  20.68 +/- 0.74   0.000% *  0.4860% (0.84   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG1   VAL   83  21.39 +/- 1.03   0.000% *  0.2070% (0.36   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG1   VAL   83  24.68 +/- 0.81   0.000% *  0.0997% (0.17   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG1   VAL   83  25.30 +/- 1.01   0.000% *  0.0997% (0.17   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 4.83, residual support = 87.8:
    * O T QG2   VAL   83 - QG1   VAL   83   2.08 +/- 0.02  99.768% * 99.3324% (0.87   4.83  87.80) =  99.999%  kept
          QD2   LEU   31 - QG1   VAL   83   6.18 +/- 0.64   0.184% *  0.2987% (0.63   0.02   0.02) =   0.001%
        T QD1   ILE   89 - QG1   VAL   83   7.73 +/- 0.53   0.047% *  0.3689% (0.78   0.02   0.02) =   0.000%
    Distance limit 2.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 995 (3.81, 0.08, 20.84 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.46, residual support = 87.8:
    * O T HA    VAL   83 - QG2   VAL   83   2.47 +/- 0.11  99.991% * 98.8327% (1.00   4.46  87.80) = 100.000%  kept
          HA    GLU- 100 - QG2   VAL   83  14.00 +/- 0.74   0.003% *  0.4420% (1.00   0.02   0.02) =   0.000%
          HB2   CYS   53 - QG2   VAL   83  15.04 +/- 0.76   0.002% *  0.1986% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   58 - QG2   VAL   83  18.38 +/- 0.46   0.001% *  0.4390% (0.99   0.02   0.02) =   0.000%
          HA    LYS+  38 - QG2   VAL   83  14.43 +/- 0.52   0.003% *  0.0877% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 996 (1.66, 0.08, 20.84 ppm):
    12 chemical-shift based assignments, quality = 0.897, support = 4.52, residual support = 87.8:
    * O T HB    VAL   83 - QG2   VAL   83   2.13 +/- 0.01  99.981% * 97.3636% (0.90   4.52  87.80) = 100.000%  kept
          HD2   LYS+  74 - QG2   VAL   83  10.04 +/- 1.04   0.011% *  0.3670% (0.76   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG2   VAL   83  13.67 +/- 0.67   0.002% *  0.1802% (0.38   0.02   0.02) =   0.000%
          QD    LYS+  38 - QG2   VAL   83  15.34 +/- 0.59   0.001% *  0.3670% (0.76   0.02   0.02) =   0.000%
          QB    ALA   57 - QG2   VAL   83  14.21 +/- 0.44   0.001% *  0.2153% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  33 - QG2   VAL   83  12.47 +/- 0.51   0.003% *  0.0950% (0.20   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG2   VAL   83  14.12 +/- 0.38   0.001% *  0.1069% (0.22   0.02   0.02) =   0.000%
          QD    LYS+  65 - QG2   VAL   83  18.23 +/- 0.69   0.000% *  0.4542% (0.95   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QG2   VAL   83  18.30 +/- 0.38   0.000% *  0.4634% (0.97   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QG2   VAL   83  19.28 +/- 0.81   0.000% *  0.1974% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG2   VAL   83  22.37 +/- 0.59   0.000% *  0.0950% (0.20   0.02   0.02) =   0.000%
          HB3   LEU  123 - QG2   VAL   83  23.01 +/- 0.87   0.000% *  0.0950% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 997 (0.60, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 4.83, residual support = 87.8:
    * O T QG1   VAL   83 - QG2   VAL   83   2.08 +/- 0.02  94.820% * 98.3096% (0.87   4.83  87.80) =  99.980%  kept
          QD2   LEU   80 - QG2   VAL   83   3.74 +/- 0.63   4.846% *  0.3758% (0.80   0.02   0.02) =   0.020%
          QD1   LEU   73 - QG2   VAL   83   6.14 +/- 0.43   0.163% *  0.1930% (0.41   0.02   0.02) =   0.000%
        T QG2   ILE   89 - QG2   VAL   83   6.03 +/- 0.28   0.166% *  0.1170% (0.25   0.02   0.02) =   0.000%
          QD1   LEU  104 - QG2   VAL   83  13.08 +/- 0.47   0.002% *  0.4529% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   63 - QG2   VAL   83  12.19 +/- 0.53   0.002% *  0.1930% (0.41   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   83  15.37 +/- 0.51   0.001% *  0.3587% (0.76   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 998 (0.08, 0.08, 20.84 ppm):
    1 diagonal assignment:
    *     QG2   VAL   83 - QG2   VAL   83  (1.00)  kept
 
    Peak 999 (3.68, 3.68, 55.33 ppm):
    1 diagonal assignment:
    *     HA    ALA   84 - HA    ALA   84  (0.93)  kept
 
    Peak 1000 (1.35, 3.68, 55.33 ppm):
    17 chemical-shift based assignments, quality = 0.931, support = 2.7, residual support = 17.3:
    * O T QB    ALA   84 - HA    ALA   84   2.11 +/- 0.01  99.501% * 93.9088% (0.93   2.70  17.31) =  99.997%  kept
          HB3   LEU   80 - HA    ALA   84   5.52 +/- 1.08   0.475% *  0.5241% (0.70   0.02   0.02) =   0.003%
          HG    LEU   98 - HA    ALA   84  11.07 +/- 0.94   0.005% *  0.7202% (0.96   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   84  11.39 +/- 0.38   0.004% *  0.6663% (0.89   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   84  12.24 +/- 0.39   0.003% *  0.6828% (0.91   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   84  12.59 +/- 0.41   0.002% *  0.4087% (0.55   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   84  11.31 +/- 0.69   0.005% *  0.1607% (0.21   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   84  13.33 +/- 0.95   0.002% *  0.2967% (0.40   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   84  17.43 +/- 0.40   0.000% *  0.6029% (0.81   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ALA   84  14.31 +/- 0.37   0.001% *  0.1264% (0.17   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   84  17.56 +/- 0.54   0.000% *  0.3513% (0.47   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   84  18.17 +/- 0.72   0.000% *  0.1800% (0.24   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   84  19.52 +/- 0.46   0.000% *  0.1800% (0.24   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    ALA   84  24.97 +/- 0.61   0.000% *  0.7154% (0.96   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   84  21.94 +/- 0.59   0.000% *  0.2228% (0.30   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   84  21.89 +/- 0.73   0.000% *  0.1264% (0.17   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ALA   84  22.77 +/- 0.47   0.000% *  0.1264% (0.17   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 2.7, residual support = 17.3:
    * O T HA    ALA   84 - QB    ALA   84   2.11 +/- 0.01  99.993% * 97.1541% (0.93   2.70  17.31) = 100.000%  kept
          HA2   GLY  109 - QB    ALA   84  11.46 +/- 0.53   0.004% *  0.6237% (0.81   0.02   0.02) =   0.000%
          HB2   TRP   49 - QB    ALA   84  13.05 +/- 0.39   0.002% *  0.7451% (0.96   0.02   0.02) =   0.000%
          HA    THR  118 - QB    ALA   84  17.23 +/- 0.32   0.000% *  0.7451% (0.96   0.02   0.02) =   0.000%
          HA    ILE  119 - QB    ALA   84  17.61 +/- 0.28   0.000% *  0.7320% (0.95   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1002 (1.35, 1.35, 18.25 ppm):
    1 diagonal assignment:
    *     QB    ALA   84 - QB    ALA   84  (0.93)  kept
 
    Peak 1003 (4.28, 4.28, 61.37 ppm):
    1 diagonal assignment:
    *     HA    SER   85 - HA    SER   85  (1.00)  kept
 
    Peak 1004 (3.96, 4.28, 61.37 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 1.93, residual support = 16.1:
    * O T QB    SER   85 - HA    SER   85   2.36 +/- 0.09  92.721% * 94.1228% (1.00   1.93  16.08) =  99.977%  kept
          HA    ALA   88 - HA    SER   85   3.67 +/- 0.23   7.245% *  0.2708% (0.28   0.02   0.02) =   0.022%
          HB    THR   94 - HA    SER   85   9.20 +/- 0.69   0.029% *  0.4740% (0.49   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    SER   85  13.79 +/- 0.69   0.002% *  0.5907% (0.61   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HA    SER   85  16.53 +/- 0.54   0.001% *  0.4740% (0.49   0.02   0.02) =   0.000%
          HA    SER   48 - HA    SER   85  15.79 +/- 0.65   0.001% *  0.1318% (0.14   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER   85  20.26 +/- 0.54   0.000% *  0.3322% (0.34   0.02   0.02) =   0.000%
          HA    GLN   32 - HA    SER   85  20.33 +/- 0.48   0.000% *  0.3006% (0.31   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    SER   85  27.19 +/- 0.50   0.000% *  0.9652% (0.99   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER   85  28.04 +/- 0.79   0.000% *  0.9738% (1.00   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    SER   85  27.38 +/- 0.66   0.000% *  0.8134% (0.84   0.02   0.02) =   0.000%
        T QB    SER  117 - HA    SER   85  20.99 +/- 0.76   0.000% *  0.1503% (0.15   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    SER   85  25.87 +/- 0.68   0.000% *  0.4004% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 1.93, residual support = 16.1:
    * O T HA    SER   85 - QB    SER   85   2.36 +/- 0.09  96.158% * 90.4081% (1.00   1.93  16.08) =  99.984%  kept
          HA    ASP-  86 - QB    SER   85   4.20 +/- 0.19   3.400% *  0.3511% (0.38   0.02  13.43) =   0.014%
          HB    THR   77 - QB    SER   85   7.76 +/- 0.71   0.089% *  0.9354% (1.00   0.02   0.02) =   0.001%
          HB    THR   77 - QB    SER   48   7.14 +/- 0.39   0.134% *  0.2281% (0.24   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   48   7.42 +/- 0.64   0.121% *  0.1567% (0.17   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER   85   9.26 +/- 0.48   0.028% *  0.6425% (0.69   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   48   8.48 +/- 0.26   0.046% *  0.1110% (0.12   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   85  13.23 +/- 0.35   0.003% *  0.9271% (0.99   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   85  15.96 +/- 0.35   0.001% *  0.9169% (0.98   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER   48  13.38 +/- 0.21   0.003% *  0.2261% (0.24   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER   48  13.79 +/- 0.69   0.003% *  0.2281% (0.24   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER  117  13.78 +/- 0.35   0.002% *  0.1415% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    SER  117  13.80 +/- 0.42   0.002% *  0.1431% (0.15   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  18.37 +/- 0.63   0.000% *  0.4553% (0.49   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  12.92 +/- 0.25   0.004% *  0.0508% (0.05   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  19.15 +/- 0.40   0.000% *  0.2083% (0.22   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   85  22.75 +/- 0.43   0.000% *  0.5674% (0.61   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  14.64 +/- 0.41   0.002% *  0.0321% (0.03   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER   48  17.34 +/- 0.62   0.001% *  0.0856% (0.09   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   85  30.22 +/- 4.06   0.000% *  0.9169% (0.98   0.02   0.02) =   0.000%
          HB    THR   77 - QB    SER  117  20.10 +/- 0.53   0.000% *  0.1443% (0.15   0.02   0.02) =   0.000%
        T HA    SER   85 - QB    SER  117  20.99 +/- 0.76   0.000% *  0.1443% (0.15   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER  117  19.62 +/- 0.41   0.000% *  0.0875% (0.09   0.02   0.02) =   0.000%
        T HA    ILE  103 - QB    SER   48  23.00 +/- 0.34   0.000% *  0.2236% (0.24   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER   48  28.29 +/- 4.09   0.000% *  0.2236% (0.24   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  19.53 +/- 0.56   0.000% *  0.0703% (0.08   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   85  26.01 +/- 1.62   0.000% *  0.2887% (0.31   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   85  29.28 +/- 2.75   0.000% *  0.3846% (0.41   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER   48  22.78 +/- 1.84   0.000% *  0.0704% (0.08   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER   48  26.46 +/- 3.01   0.000% *  0.0938% (0.10   0.02   0.02) =   0.000%
          HA    ASP-  86 - QB    SER  117  21.95 +/- 0.65   0.000% *  0.0542% (0.06   0.02   0.02) =   0.000%
        T HA    THR   39 - QB    SER   48  26.80 +/- 0.38   0.000% *  0.1383% (0.15   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    SER  117  25.74 +/- 0.54   0.000% *  0.0991% (0.11   0.02   0.02) =   0.000%
          HA    GLU-  14 - QB    SER  117  26.37 +/- 0.74   0.000% *  0.0445% (0.05   0.02   0.02) =   0.000%
          HA    MET   11 - QB    SER  117  32.93 +/- 1.56   0.000% *  0.1415% (0.15   0.02   0.02) =   0.000%
          HA    ALA   12 - QB    SER  117  30.82 +/- 1.13   0.000% *  0.0593% (0.06   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 3.37, residual support = 41.0:
    * O T HB2   ASP-  86 - HA    ASP-  86   3.05 +/- 0.01  99.982% * 97.9943% (1.00   3.37  40.96) = 100.000%  kept
          HB2   ASN   28 - HA    ASP-  86  14.49 +/- 0.55   0.009% *  0.4664% (0.80   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    ASP-  86  17.45 +/- 0.80   0.003% *  0.4865% (0.84   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    ASP-  86  19.86 +/- 1.03   0.001% *  0.4001% (0.69   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    ASP-  86  16.16 +/- 0.35   0.005% *  0.1153% (0.20   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    ASP-  86  26.45 +/- 0.81   0.000% *  0.5376% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1009 (2.44, 4.30, 57.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 41.0:
    * O T HB3   ASP-  86 - HA    ASP-  86   2.56 +/- 0.06  99.973% * 96.7367% (1.00   2.00  40.96) = 100.000%  kept
          HB3   PHE   45 - HA    ASP-  86  11.75 +/- 0.39   0.011% *  0.4709% (0.49   0.02   0.02) =   0.000%
          HG3   MET   96 - HA    ASP-  86  11.35 +/- 0.40   0.013% *  0.3300% (0.34   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HA    ASP-  86  19.59 +/- 0.52   0.001% *  0.9336% (0.97   0.02   0.02) =   0.000%
          HB    VAL  107 - HA    ASP-  86  17.19 +/- 0.49   0.001% *  0.1493% (0.15   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HA    ASP-  86  23.01 +/- 0.62   0.000% *  0.4709% (0.49   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HA    ASP-  86  26.74 +/- 0.78   0.000% *  0.7393% (0.76   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    ASP-  86  22.94 +/- 0.61   0.000% *  0.1694% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 3.37, residual support = 41.0:
    * O T HA    ASP-  86 - HB2   ASP-  86   3.05 +/- 0.01  97.924% * 97.2945% (1.00   3.37  40.96) =  99.995%  kept
          HA    SER   85 - HB2   ASP-  86   5.83 +/- 0.09   2.009% *  0.2170% (0.38   0.02  13.43) =   0.005%
          HB    THR   77 - HB2   ASP-  86  11.51 +/- 0.66   0.037% *  0.2170% (0.38   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   ASP-  86  13.21 +/- 0.32   0.015% *  0.2592% (0.45   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   ASP-  86  13.69 +/- 0.44   0.012% *  0.1608% (0.28   0.02   0.02) =   0.000%
          HA    LEU  104 - HB2   ASP-  86  17.90 +/- 0.41   0.002% *  0.4199% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   ASP-  86  25.97 +/- 1.89   0.000% *  0.5731% (0.99   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   ASP-  86  29.45 +/- 3.29   0.000% *  0.5770% (1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   ASP-  86  30.30 +/- 4.57   0.000% *  0.2815% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1011 (2.94, 2.94, 40.49 ppm):
    1 diagonal assignment:
    *     HB2   ASP-  86 - HB2   ASP-  86  (1.00)  kept
 
    Peak 1012 (2.44, 2.94, 40.49 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.73, residual support = 41.0:
    * O T HB3   ASP-  86 - HB2   ASP-  86   1.75 +/- 0.00  99.996% * 97.5918% (1.00   2.73  40.96) = 100.000%  kept
          HB3   PHE   45 - HB2   ASP-  86  10.70 +/- 0.36   0.002% *  0.3475% (0.49   0.02   0.02) =   0.000%
          HG3   MET   96 - HB2   ASP-  86  10.65 +/- 0.34   0.002% *  0.2435% (0.34   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HB2   ASP-  86  16.60 +/- 0.50   0.000% *  0.6890% (0.97   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   ASP-  86  16.88 +/- 0.40   0.000% *  0.1102% (0.15   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB2   ASP-  86  22.51 +/- 0.60   0.000% *  0.3475% (0.49   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   ASP-  86  25.40 +/- 0.73   0.000% *  0.5456% (0.76   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   ASP-  86  20.48 +/- 0.62   0.000% *  0.1250% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1013 (4.30, 2.44, 40.49 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 41.0:
    * O T HA    ASP-  86 - HB3   ASP-  86   2.56 +/- 0.06  99.380% * 95.5303% (1.00   2.00  40.96) =  99.998%  kept
          HA    SER   85 - HB3   ASP-  86   6.05 +/- 0.40   0.604% *  0.3585% (0.38   0.02  13.43) =   0.002%
          HB    THR   77 - HB3   ASP-  86  12.38 +/- 0.78   0.008% *  0.3585% (0.38   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   ASP-  86  14.54 +/- 0.46   0.003% *  0.4283% (0.45   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   ASP-  86  14.43 +/- 0.92   0.003% *  0.2656% (0.28   0.02   0.02) =   0.000%
          HA    LEU  104 - HB3   ASP-  86  18.61 +/- 0.87   0.001% *  0.6937% (0.73   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   ASP-  86  27.25 +/- 1.92   0.000% *  0.9468% (0.99   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   ASP-  86  30.63 +/- 3.31   0.000% *  0.9532% (1.00   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   ASP-  86  31.40 +/- 4.60   0.000% *  0.4650% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1014 (2.94, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.73, residual support = 41.0:
    * O T HB2   ASP-  86 - HB3   ASP-  86   1.75 +/- 0.00  99.999% * 97.5426% (1.00   2.73  40.96) = 100.000%  kept
          HB2   ASN   28 - HB3   ASP-  86  12.29 +/- 0.53   0.001% *  0.5714% (0.80   0.02   0.02) =   0.000%
          HB2   ASN   35 - HB3   ASP-  86  15.73 +/- 1.01   0.000% *  0.5960% (0.84   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   ASP-  86  18.26 +/- 1.27   0.000% *  0.4901% (0.69   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HB3   ASP-  86  15.80 +/- 0.59   0.000% *  0.1412% (0.20   0.02   0.02) =   0.000%
          QE    LYS+  65 - HB3   ASP-  86  25.92 +/- 0.80   0.000% *  0.6587% (0.92   0.02   0.02) =   0.000%
    Distance limit 2.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1015 (2.44, 2.44, 40.49 ppm):
    1 diagonal assignment:
    *     HB3   ASP-  86 - HB3   ASP-  86  (1.00)  kept
 
    Peak 1016 (4.34, 4.34, 57.63 ppm):
    1 diagonal assignment:
    *     HA    TRP   87 - HA    TRP   87  (1.00)  kept
 
    Peak 1017 (3.41, 4.34, 57.63 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 65.7:
    * O T HB2   TRP   87 - HA    TRP   87   2.57 +/- 0.03  99.999% * 99.5425% (1.00   4.31  65.65) = 100.000%  kept
          HB2   PHE   60 - HA    TRP   87  17.32 +/- 0.66   0.001% *  0.4575% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1018 (2.50, 4.34, 57.63 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 65.7:
    * O T HB3   TRP   87 - HA    TRP   87   3.01 +/- 0.01  99.997% * 99.3295% (1.00   4.26  65.65) = 100.000%  kept
          HG2   GLU-  25 - HA    TRP   87  17.53 +/- 0.54   0.003% *  0.2088% (0.45   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    TRP   87  23.84 +/- 0.53   0.000% *  0.4617% (0.99   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1019 (4.34, 3.41, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.31, residual support = 65.7:
    * O T HA    TRP   87 - HB2   TRP   87   2.57 +/- 0.03  99.995% * 99.4497% (1.00   4.31  65.65) = 100.000%  kept
          HA    LEU  104 - HB2   TRP   87  13.86 +/- 0.30   0.004% *  0.1896% (0.41   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   TRP   87  17.69 +/- 0.40   0.001% *  0.2983% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   TRP   87  24.02 +/- 1.86   0.000% *  0.0624% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1020 (3.41, 3.41, 28.05 ppm):
    1 diagonal assignment:
    *     HB2   TRP   87 - HB2   TRP   87  (1.00)  kept
 
    Peak 1021 (2.50, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 65.7:
    * O T HB3   TRP   87 - HB2   TRP   87   1.75 +/- 0.00 100.000% * 99.2797% (1.00   3.97  65.65) = 100.000%  kept
          HG2   GLU-  25 - HB2   TRP   87  17.29 +/- 0.49   0.000% *  0.2243% (0.45   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   TRP   87  21.94 +/- 0.53   0.000% *  0.4959% (0.99   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1022 (4.34, 2.50, 28.05 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 4.26, residual support = 65.7:
    * O T HA    TRP   87 - HB3   TRP   87   3.01 +/- 0.01  99.993% * 99.4435% (1.00   4.26  65.65) = 100.000%  kept
          HA    LEU  104 - HB3   TRP   87  15.57 +/- 0.29   0.005% *  0.1917% (0.41   0.02   0.02) =   0.000%
        T HA    PHE   59 - HB3   TRP   87  18.67 +/- 0.34   0.002% *  0.3017% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   TRP   87  24.20 +/- 1.85   0.000% *  0.0631% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1023 (3.41, 2.50, 28.05 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 65.7:
    * O T HB2   TRP   87 - HB3   TRP   87   1.75 +/- 0.00 100.000% * 99.5029% (1.00   3.97  65.65) = 100.000%  kept
          HB2   PHE   60 - HB3   TRP   87  15.41 +/- 0.56   0.000% *  0.4971% (0.99   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1024 (2.50, 2.50, 28.05 ppm):
    1 diagonal assignment:
    *     HB3   TRP   87 - HB3   TRP   87  (1.00)  kept
 
    Peak 1025 (3.98, 3.98, 52.68 ppm):
    1 diagonal assignment:
    *     HA    ALA   88 - HA    ALA   88  (1.00)  kept
 
    Peak 1026 (1.31, 3.98, 52.68 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 2.11, residual support = 11.2:
    * O T QB    ALA   88 - HA    ALA   88   2.11 +/- 0.00  99.964% * 96.6987% (1.00   2.12  11.25) = 100.000%  kept
          QG2   THR   77 - HA    ALA   88   8.22 +/- 0.49   0.030% *  0.7322% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   88  11.53 +/- 1.04   0.004% *  0.2280% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   88  15.70 +/- 0.67   0.001% *  0.4100% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    ALA   88  17.12 +/- 0.35   0.000% *  0.3432% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   88  21.08 +/- 0.68   0.000% *  0.6640% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA   88  24.55 +/- 0.95   0.000% *  0.7638% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   88  20.23 +/- 0.63   0.000% *  0.1601% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1027 (3.98, 1.31, 16.77 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 2.11, residual support = 11.2:
    * O T HA    ALA   88 - QB    ALA   88   2.11 +/- 0.00  99.843% * 95.0126% (1.00   2.12  11.25) = 100.000%  kept
          QB    SER   85 - QB    ALA   88   6.24 +/- 0.15   0.151% *  0.2498% (0.28   0.02   0.02) =   0.000%
        T HB2   SER   82 - QB    ALA   88  11.35 +/- 0.12   0.004% *  0.5087% (0.57   0.02   0.02) =   0.000%
        T HD2   PRO   52 - QB    ALA   88  14.50 +/- 0.50   0.001% *  0.8294% (0.92   0.02   0.02) =   0.000%
        T HA    SER   48 - QB    ALA   88  15.82 +/- 0.59   0.001% *  0.8294% (0.92   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   88  17.12 +/- 0.34   0.000% *  0.8965% (1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - QB    ALA   88  17.21 +/- 0.59   0.000% *  0.4373% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   88  18.03 +/- 0.28   0.000% *  0.4028% (0.45   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   88  19.65 +/- 0.45   0.000% *  0.2773% (0.31   0.02   0.02) =   0.000%
          HA    LYS+  65 - QB    ALA   88  21.55 +/- 0.75   0.000% *  0.3065% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA   88  22.74 +/- 1.00   0.000% *  0.2498% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1028 (1.31, 1.31, 16.77 ppm):
    1 diagonal assignment:
    *     QB    ALA   88 - QB    ALA   88  (1.00)  kept
 
    Peak 1029 (3.87, 3.87, 59.74 ppm):
    1 diagonal assignment:
    *     HA    ILE   89 - HA    ILE   89  (1.00)  kept
 
    Peak 1030 (1.74, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 214.5:
    * O T HB    ILE   89 - HA    ILE   89   3.00 +/- 0.02  99.705% * 99.4496% (0.80   5.44 214.55) = 100.000%  kept
        T HB    VAL   43 - HA    ILE   89   8.79 +/- 0.35   0.162% *  0.1017% (0.22   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    ILE   89  10.06 +/- 0.92   0.087% *  0.0800% (0.18   0.02   0.02) =   0.000%
          QG1   ILE   56 - HA    ILE   89  10.92 +/- 0.26   0.043% *  0.1269% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ILE   89  18.58 +/- 0.36   0.002% *  0.1714% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    ILE   89  18.75 +/- 0.52   0.002% *  0.0705% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1031 (0.63, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 214.5:
    * O T QG2   ILE   89 - HA    ILE   89   2.15 +/- 0.07  99.986% * 99.7838% (1.00   6.28 214.55) = 100.000%  kept
          QG1   VAL   83 - HA    ILE   89   9.74 +/- 0.57   0.013% *  0.1672% (0.53   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ILE   89  15.78 +/- 0.54   0.001% *  0.0490% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 5.65, residual support = 214.5:
    * O T HG12  ILE   89 - HA    ILE   89   3.03 +/- 0.21  99.953% * 98.8562% (1.00   5.65 214.55) = 100.000%  kept
          HG3   LYS+ 111 - HA    ILE   89  13.00 +/- 0.45   0.018% *  0.3466% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ILE   89  12.63 +/- 0.65   0.023% *  0.1568% (0.45   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ILE   89  20.24 +/- 0.90   0.001% *  0.1702% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    ILE   89  19.60 +/- 0.96   0.002% *  0.1313% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    ILE   89  19.47 +/- 0.76   0.002% *  0.1079% (0.31   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HA    ILE   89  20.71 +/- 0.55   0.001% *  0.1438% (0.41   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ILE   89  20.19 +/- 0.40   0.001% *  0.0872% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1033 (3.87, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.44, residual support = 214.5:
    * O T HA    ILE   89 - HB    ILE   89   3.00 +/- 0.02  99.670% * 97.8394% (0.80   5.44 214.55) = 100.000%  kept
          HB3   SER   82 - HB    ILE   89   9.95 +/- 0.31   0.075% *  0.2471% (0.55   0.02   0.02) =   0.000%
        T HA    ILE   89 - HB    VAL   43   8.79 +/- 0.35   0.162% *  0.0785% (0.17   0.02   0.02) =   0.000%
          HB    THR  118 - HB    VAL   43  12.50 +/- 0.26   0.019% *  0.0629% (0.14   0.02   0.02) =   0.000%
          HB    THR  118 - HB    ILE   89  16.18 +/- 0.32   0.004% *  0.2880% (0.64   0.02   0.02) =   0.000%
          HB    THR   39 - HB    VAL   43  13.09 +/- 0.31   0.014% *  0.0758% (0.17   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    ILE   89  13.84 +/- 0.23   0.010% *  0.0712% (0.16   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    VAL   43  14.66 +/- 0.44   0.007% *  0.0785% (0.17   0.02   0.02) =   0.000%
          HB3   SER   82 - HB    VAL   43  13.98 +/- 0.45   0.010% *  0.0540% (0.12   0.02   0.02) =   0.000%
          HB    THR   39 - HB    ILE   89  20.46 +/- 0.54   0.001% *  0.3471% (0.77   0.02   0.02) =   0.000%
          HB3   SER   37 - HB    ILE   89  21.62 +/- 0.55   0.001% *  0.3597% (0.80   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    VAL   43  12.62 +/- 0.41   0.018% *  0.0121% (0.03   0.02   0.02) =   0.000%
          QB    SER   13 - HB    ILE   89  24.12 +/- 1.71   0.000% *  0.3403% (0.76   0.02   0.02) =   0.000%
          QB    SER   13 - HB    VAL   43  19.20 +/- 2.03   0.002% *  0.0743% (0.17   0.02   0.02) =   0.000%
          HA    GLN   30 - HB    ILE   89  17.66 +/- 0.59   0.002% *  0.0555% (0.12   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB    VAL   43  17.10 +/- 0.23   0.003% *  0.0155% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1034 (1.74, 1.74, 34.76 ppm):
    2 diagonal assignments:
    *     HB    ILE   89 - HB    ILE   89  (0.64)  kept
          HB    VAL   43 - HB    VAL   43  (0.04)  kept
 
    Peak 1035 (0.63, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.75, residual support = 214.5:
    * O T QG2   ILE   89 - HB    ILE   89   2.10 +/- 0.02  99.710% * 99.6370% (0.80   5.75 214.55) = 100.000%  kept
        T QG2   ILE   89 - HB    VAL   43   6.01 +/- 0.39   0.195% *  0.0757% (0.17   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB    ILE   89   7.55 +/- 0.62   0.067% *  0.1824% (0.42   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB    VAL   43   8.94 +/- 0.58   0.019% *  0.0398% (0.09   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    VAL   43  10.33 +/- 0.55   0.008% *  0.0117% (0.03   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB    ILE   89  15.94 +/- 0.48   0.001% *  0.0535% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1036 (1.22, 1.74, 34.76 ppm):
    16 chemical-shift based assignments, quality = 0.801, support = 5.15, residual support = 214.5:
    * O T HG12  ILE   89 - HB    ILE   89   2.63 +/- 0.10  99.454% * 98.3940% (0.80   5.15 214.55) = 100.000%  kept
        T HG12  ILE   89 - HB    VAL   43   6.72 +/- 0.38   0.371% *  0.0834% (0.17   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    ILE   89  10.89 +/- 0.67   0.022% *  0.1713% (0.36   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB    VAL   43   8.65 +/- 0.74   0.093% *  0.0374% (0.08   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    ILE   89  15.15 +/- 0.51   0.003% *  0.3787% (0.79   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    VAL   43  10.89 +/- 0.97   0.024% *  0.0313% (0.07   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    VAL   43  11.72 +/- 0.70   0.014% *  0.0406% (0.09   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    VAL   43  13.38 +/- 0.65   0.006% *  0.0343% (0.07   0.02   0.02) =   0.000%
          HG    LEU   71 - HB    ILE   89  18.50 +/- 1.20   0.001% *  0.1860% (0.39   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   43  16.30 +/- 0.38   0.002% *  0.0827% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    ILE   89  18.05 +/- 0.85   0.001% *  0.1434% (0.30   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    VAL   43  13.18 +/- 0.36   0.007% *  0.0208% (0.04   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB    ILE   89  18.02 +/- 0.59   0.001% *  0.0953% (0.20   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HB    ILE   89  20.37 +/- 0.66   0.000% *  0.1571% (0.33   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    ILE   89  20.65 +/- 0.60   0.000% *  0.1179% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    VAL   43  19.00 +/- 0.72   0.001% *  0.0258% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1037 (3.87, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.28, residual support = 214.5:
    * O T HA    ILE   89 - QG2   ILE   89   2.15 +/- 0.07  99.975% * 98.5095% (1.00   6.28 214.55) = 100.000%  kept
          HB3   SER   82 - QG2   ILE   89  10.19 +/- 0.25   0.009% *  0.2155% (0.69   0.02   0.02) =   0.000%
          HB    THR  118 - QG2   ILE   89  11.85 +/- 0.27   0.004% *  0.2512% (0.80   0.02   0.02) =   0.000%
          HD3   PRO   52 - QG2   ILE   89   9.93 +/- 0.18   0.010% *  0.0621% (0.20   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   ILE   89  16.97 +/- 0.42   0.000% *  0.3028% (0.97   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   ILE   89  18.18 +/- 0.39   0.000% *  0.3137% (1.00   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   ILE   89  19.90 +/- 1.24   0.000% *  0.2968% (0.95   0.02   0.02) =   0.000%
          HA    GLN   30 - QG2   ILE   89  15.19 +/- 0.43   0.001% *  0.0484% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1038 (1.74, 0.63, 17.89 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 5.75, residual support = 214.5:
    * O T HB    ILE   89 - QG2   ILE   89   2.10 +/- 0.02  99.723% * 99.4790% (0.80   5.75 214.55) = 100.000%  kept
        T HB    VAL   43 - QG2   ILE   89   6.01 +/- 0.39   0.195% *  0.0962% (0.22   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG2   ILE   89   7.98 +/- 0.16   0.033% *  0.1202% (0.28   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   ILE   89   7.87 +/- 0.72   0.047% *  0.0757% (0.18   0.02   0.02) =   0.000%
        T HB3   LYS+  99 - QG2   ILE   89  15.06 +/- 0.36   0.001% *  0.1622% (0.38   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QG2   ILE   89  15.28 +/- 0.52   0.001% *  0.0667% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 5.99, residual support = 214.5:
    * O T HG12  ILE   89 - QG2   ILE   89   3.17 +/- 0.06  99.518% * 98.9194% (1.00   5.99 214.55) =  99.999%  kept
          HG2   LYS+  74 - QG2   ILE   89   8.20 +/- 0.55   0.370% *  0.1481% (0.45   0.02   0.02) =   0.001%
          HG3   LYS+ 111 - QG2   ILE   89  10.73 +/- 0.45   0.069% *  0.3275% (0.99   0.02   0.02) =   0.000%
          HG    LEU   71 - QG2   ILE   89  15.24 +/- 0.95   0.009% *  0.1608% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   71 - QG2   ILE   89  14.86 +/- 0.71   0.010% *  0.1240% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QG2   ILE   89  15.20 +/- 0.49   0.009% *  0.1020% (0.31   0.02   0.02) =   0.000%
          HG13  ILE   19 - QG2   ILE   89  14.74 +/- 0.45   0.010% *  0.0824% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QG2   ILE   89  16.81 +/- 0.57   0.005% *  0.1358% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 5.65, residual support = 214.5:
    * O T HA    ILE   89 - HG12  ILE   89   3.03 +/- 0.21  99.228% * 97.5555% (1.00   5.65 214.55) =  99.999%  kept
        T HB    THR   39 - HG3   LYS+  99   7.91 +/- 1.12   0.552% *  0.1351% (0.39   0.02   0.02) =   0.001%
          HB3   SER   37 - HG3   LYS+  99   9.72 +/- 1.14   0.127% *  0.1400% (0.41   0.02   0.02) =   0.000%
          HB3   SER   82 - HG12  ILE   89  10.76 +/- 0.52   0.060% *  0.2371% (0.69   0.02   0.02) =   0.000%
          HB    THR  118 - HG12  ILE   89  15.09 +/- 0.38   0.007% *  0.2763% (0.80   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   LYS+  99  15.97 +/- 0.51   0.005% *  0.1121% (0.32   0.02   0.02) =   0.000%
          HB    THR   39 - HG12  ILE   89  19.36 +/- 0.33   0.002% *  0.3331% (0.97   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG12  ILE   89  15.57 +/- 0.18   0.006% *  0.0683% (0.20   0.02   0.02) =   0.000%
          HB3   SER   37 - HG12  ILE   89  20.59 +/- 0.52   0.001% *  0.3451% (1.00   0.02   0.02) =   0.000%
          QB    SER   13 - HG3   LYS+  99  19.93 +/- 2.50   0.002% *  0.1324% (0.38   0.02   0.02) =   0.000%
          HA    GLN   30 - HG12  ILE   89  17.53 +/- 0.36   0.003% *  0.0533% (0.15   0.02   0.02) =   0.000%
          QB    SER   13 - HG12  ILE   89  24.36 +/- 2.02   0.000% *  0.3265% (0.95   0.02   0.02) =   0.000%
        T HA    ILE   89 - HG3   LYS+  99  20.71 +/- 0.55   0.001% *  0.1400% (0.41   0.02   0.02) =   0.000%
          HA    GLN   30 - HG3   LYS+  99  15.75 +/- 1.11   0.006% *  0.0216% (0.06   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   LYS+  99  24.41 +/- 0.81   0.000% *  0.0961% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   LYS+  99  29.10 +/- 0.63   0.000% *  0.0277% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 0.665, support = 5.31, residual support = 206.3:
    * O T HB    ILE   89 - HG12  ILE   89   2.63 +/- 0.10  33.013% * 77.2716% (0.80   5.15 214.55) =  80.887%  kept
      O T HB2   LYS+  99 - HG3   LYS+  99   2.43 +/- 0.11  52.764% *  7.5537% (0.06   6.44 171.63) =  12.638%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   3.03 +/- 0.02  14.084% * 14.4986% (0.15   5.08 171.63) =   6.475%  kept
        T HB    VAL   43 - HG12  ILE   89   6.72 +/- 0.38   0.123% *  0.0834% (0.22   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  10.58 +/- 0.76   0.009% *  0.0656% (0.18   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  11.89 +/- 0.21   0.004% *  0.1042% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  16.47 +/- 0.35   0.001% *  0.1406% (0.38   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.38 +/- 0.65   0.002% *  0.0338% (0.09   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  16.64 +/- 0.45   0.001% *  0.0578% (0.15   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  20.37 +/- 0.66   0.000% *  0.1217% (0.32   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  18.32 +/- 0.54   0.000% *  0.0423% (0.11   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  25.74 +/- 0.71   0.000% *  0.0266% (0.07   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 5.99, residual support = 214.5:
    * O T QG2   ILE   89 - HG12  ILE   89   3.17 +/- 0.06  61.395% * 99.5472% (1.00   5.99 214.55) =  99.986%  kept
          QD1   LEU  104 - HG3   LYS+  99   3.50 +/- 0.47  38.252% *  0.0208% (0.06   0.02  18.76) =   0.013%
          QG1   VAL   83 - HG12  ILE   89   7.90 +/- 0.69   0.339% *  0.1749% (0.53   0.02   0.02) =   0.001%
          QD1   LEU  104 - HG12  ILE   89  14.32 +/- 0.44   0.008% *  0.0513% (0.15   0.02   0.02) =   0.000%
        T QG2   ILE   89 - HG3   LYS+  99  16.81 +/- 0.57   0.003% *  0.1348% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   LYS+  99  17.26 +/- 0.80   0.003% *  0.0709% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1044 (1.22, 1.22, 26.04 ppm):
    2 diagonal assignments:
    *     HG12  ILE   89 - HG12  ILE   89  (1.00)  kept
          HG3   LYS+  99 - HG3   LYS+  99  (0.17)  kept
 
    Peak 1045 (4.46, 4.46, 56.09 ppm):
    1 diagonal assignment:
    *     HA    GLN   90 - HA    GLN   90  (0.96)  kept
 
    Peak 1046 (2.15, 4.46, 56.09 ppm):
    6 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 89.6:
    * O T HB2   GLN   90 - HA    GLN   90   2.45 +/- 0.19  99.964% * 97.7353% (0.78   3.96  89.58) = 100.000%  kept
        T HB3   GLU-  79 - HA    GLN   90  10.00 +/- 1.76   0.036% *  0.5827% (0.93   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLN   90  21.21 +/- 1.63   0.000% *  0.5827% (0.93   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLN   90  20.90 +/- 1.29   0.000% *  0.3736% (0.59   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLN   90  24.55 +/- 0.70   0.000% *  0.6038% (0.96   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HA    GLN   90  27.93 +/- 0.54   0.000% *  0.1219% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1047 (1.87, 4.46, 56.09 ppm):
    13 chemical-shift based assignments, quality = 0.819, support = 3.96, residual support = 89.6:
    * O T HB3   GLN   90 - HA    GLN   90   2.85 +/- 0.20  97.554% * 95.3077% (0.82   3.97  89.58) =  99.987%  kept
          QB    LYS+  81 - HA    GLN   90   5.97 +/- 1.34   2.183% *  0.5161% (0.88   0.02   0.02) =   0.012%
          HB2   MET   92 - HA    GLN   90   7.93 +/- 0.24   0.228% *  0.2801% (0.48   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    GLN   90  12.26 +/- 0.77   0.018% *  0.5313% (0.90   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    GLN   90  14.00 +/- 0.77   0.009% *  0.5444% (0.93   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    GLN   90  17.42 +/- 1.12   0.002% *  0.3491% (0.59   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    GLN   90  18.05 +/- 1.20   0.002% *  0.3723% (0.63   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    GLN   90  17.39 +/- 0.54   0.002% *  0.3258% (0.55   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    GLN   90  18.45 +/- 0.49   0.001% *  0.3723% (0.63   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    GLN   90  21.14 +/- 1.05   0.001% *  0.4398% (0.75   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLN   90  21.38 +/- 0.80   0.001% *  0.1776% (0.30   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    GLN   90  27.62 +/- 0.72   0.000% *  0.4807% (0.82   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    GLN   90  28.60 +/- 1.43   0.000% *  0.3028% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1048 (2.27, 4.46, 56.09 ppm):
    9 chemical-shift based assignments, quality = 0.879, support = 3.31, residual support = 89.6:
    * O T QG    GLN   90 - HA    GLN   90   2.80 +/- 0.47  99.882% * 96.3994% (0.88   3.31  89.58) = 100.000%  kept
          HG3   MET   92 - HA    GLN   90   9.16 +/- 0.52   0.101% *  0.1002% (0.15   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    GLN   90  12.86 +/- 1.19   0.012% *  0.6436% (0.97   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    GLN   90  17.99 +/- 1.40   0.002% *  0.6142% (0.93   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    GLN   90  19.82 +/- 0.77   0.001% *  0.3676% (0.55   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    GLN   90  23.58 +/- 2.45   0.000% *  0.6365% (0.96   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    GLN   90  23.51 +/- 1.72   0.000% *  0.6479% (0.98   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLN   90  20.59 +/- 1.33   0.001% *  0.1446% (0.22   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLN   90  30.47 +/- 2.82   0.000% *  0.4460% (0.67   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1049 (4.46, 2.15, 31.73 ppm):
    10 chemical-shift based assignments, quality = 0.785, support = 3.96, residual support = 89.6:
    * O T HA    GLN   90 - HB2   GLN   90   2.45 +/- 0.19  99.956% * 97.4345% (0.78   3.96  89.58) = 100.000%  kept
        T HA    GLN   90 - HB3   GLU-  79  10.00 +/- 1.76   0.036% *  0.3559% (0.57   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  14.54 +/- 0.78   0.003% *  0.4631% (0.74   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  18.34 +/- 0.79   0.001% *  0.3351% (0.53   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLU-  79  16.63 +/- 0.58   0.001% *  0.1767% (0.28   0.02   0.02) =   0.000%
          HA    VAL   42 - HB2   GLN   90  17.81 +/- 0.29   0.001% *  0.2442% (0.39   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  20.32 +/- 0.85   0.000% *  0.4972% (0.79   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  15.17 +/- 1.24   0.002% *  0.0774% (0.12   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  21.35 +/- 0.70   0.000% *  0.3598% (0.57   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  20.50 +/- 0.46   0.000% *  0.0560% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1050 (2.15, 2.15, 31.73 ppm):
    2 diagonal assignments:
    *     HB2   GLN   90 - HB2   GLN   90  (0.64)  kept
          HB3   GLU-  79 - HB3   GLU-  79  (0.55)  kept
 
    Peak 1051 (1.87, 2.15, 31.73 ppm):
    26 chemical-shift based assignments, quality = 0.669, support = 3.99, residual support = 89.6:
    * O T HB3   GLN   90 - HB2   GLN   90   1.75 +/- 0.00  99.819% * 91.9170% (0.67   3.99  89.58) =  99.999%  kept
          QB    LYS+  81 - HB2   GLN   90   6.03 +/- 1.81   0.137% *  0.4945% (0.72   0.02   0.02) =   0.001%
          QB    LYS+  81 - HB3   GLU-  79   6.73 +/- 0.37   0.033% *  0.3579% (0.52   0.02   1.49) =   0.000%
          HB2   MET   92 - HB2   GLN   90   8.69 +/- 0.54   0.007% *  0.2684% (0.39   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB2   GLN   90  12.90 +/- 1.10   0.001% *  0.5090% (0.74   0.02   0.02) =   0.000%
        T HB3   GLN   90 - HB3   GLU-  79  12.20 +/- 1.93   0.001% *  0.3333% (0.48   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   GLU-  79  12.86 +/- 0.74   0.001% *  0.2582% (0.37   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   GLN   90  15.64 +/- 0.64   0.000% *  0.5216% (0.76   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   GLU-  79  15.30 +/- 1.00   0.000% *  0.1942% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   GLU-  79  16.55 +/- 0.65   0.000% *  0.3050% (0.44   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   GLU-  79  17.58 +/- 0.48   0.000% *  0.3684% (0.53   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   GLU-  79  17.72 +/- 0.73   0.000% *  0.3775% (0.55   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   GLN   90  17.98 +/- 0.91   0.000% *  0.3122% (0.45   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   GLN   90  19.12 +/- 1.00   0.000% *  0.3345% (0.49   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   GLU-  79  18.60 +/- 1.60   0.000% *  0.2420% (0.35   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   GLN   90  19.66 +/- 0.91   0.000% *  0.3567% (0.52   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   GLN   90  19.88 +/- 1.22   0.000% *  0.3567% (0.52   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   GLN   90  22.69 +/- 0.99   0.000% *  0.4214% (0.61   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   GLU-  79  21.59 +/- 0.74   0.000% *  0.2259% (0.33   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   GLU-  79  22.26 +/- 0.68   0.000% *  0.2582% (0.37   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   GLN   90  23.26 +/- 0.55   0.000% *  0.1702% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   GLU-  79  26.27 +/- 0.78   0.000% *  0.3333% (0.48   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB3   GLU-  79  22.62 +/- 0.59   0.000% *  0.1232% (0.18   0.02   0.02) =   0.000%
        T HB3   LYS+  38 - HB2   GLN   90  28.96 +/- 0.83   0.000% *  0.4606% (0.67   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB3   GLU-  79  27.19 +/- 0.58   0.000% *  0.2100% (0.30   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   GLN   90  30.56 +/- 1.28   0.000% *  0.2901% (0.42   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1052 (2.27, 2.15, 31.73 ppm):
    18 chemical-shift based assignments, quality = 0.718, support = 3.63, residual support = 89.6:
    * O T QG    GLN   90 - HB2   GLN   90   2.35 +/- 0.11  99.918% * 94.0978% (0.72   3.63  89.58) = 100.000%  kept
        T QG    GLN   90 - HB3   GLU-  79  10.24 +/- 2.64   0.044% *  0.3753% (0.52   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLU-  79  12.19 +/- 0.52   0.006% *  0.4148% (0.57   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLN   90   9.97 +/- 0.73   0.021% *  0.0892% (0.12   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB2   GLN   90  15.06 +/- 0.89   0.002% *  0.5731% (0.79   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLU-  79  15.69 +/- 0.75   0.001% *  0.3959% (0.55   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB3   GLU-  79  13.37 +/- 1.14   0.004% *  0.0932% (0.13   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLU-  79  17.73 +/- 2.10   0.001% *  0.4102% (0.57   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLU-  79  19.04 +/- 1.18   0.000% *  0.4175% (0.58   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   GLN   90  20.13 +/- 1.14   0.000% *  0.5470% (0.76   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU-  79  15.59 +/- 1.66   0.002% *  0.0646% (0.09   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   GLN   90  21.40 +/- 0.91   0.000% *  0.3274% (0.45   0.02   0.02) =   0.000%
        T QB    MET   11 - HB3   GLU-  79  23.99 +/- 3.74   0.000% *  0.2875% (0.40   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB2   GLN   90  25.53 +/- 2.45   0.000% *  0.5668% (0.78   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB2   GLN   90  25.39 +/- 1.62   0.000% *  0.5770% (0.80   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLU-  79  22.94 +/- 0.83   0.000% *  0.2369% (0.33   0.02   0.02) =   0.000%
        T HB2   GLU-  29 - HB2   GLN   90  22.26 +/- 1.37   0.000% *  0.1287% (0.18   0.02   0.02) =   0.000%
        T QB    MET   11 - HB2   GLN   90  32.32 +/- 2.83   0.000% *  0.3972% (0.55   0.02   0.02) =   0.000%
    Distance limit 2.42 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1053 (4.46, 1.87, 31.73 ppm):
    5 chemical-shift based assignments, quality = 0.819, support = 3.97, residual support = 89.6:
    * O T HA    GLN   90 - HB3   GLN   90   2.85 +/- 0.20  99.981% * 98.7022% (0.82   3.97  89.58) = 100.000%  kept
          HA    ALA  110 - HB3   GLN   90  14.01 +/- 1.06   0.008% *  0.4688% (0.77   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLN   90  14.47 +/- 1.21   0.007% *  0.0784% (0.13   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   90  17.49 +/- 0.70   0.002% *  0.2472% (0.41   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLN   90  19.97 +/- 0.92   0.001% *  0.5034% (0.83   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1054 (2.15, 1.87, 31.73 ppm):
    6 chemical-shift based assignments, quality = 0.669, support = 3.99, residual support = 89.6:
    * O T HB2   GLN   90 - HB3   GLN   90   1.75 +/- 0.00  99.999% * 97.7510% (0.67   3.99  89.58) = 100.000%  kept
        T HB3   GLU-  79 - HB3   GLN   90  12.20 +/- 1.93   0.001% *  0.5786% (0.79   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HB3   GLN   90  23.15 +/- 1.89   0.000% *  0.5786% (0.79   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HB3   GLN   90  22.72 +/- 1.74   0.000% *  0.3710% (0.51   0.02   0.02) =   0.000%
          QB    GLU-  36 - HB3   GLN   90  25.85 +/- 1.07   0.000% *  0.5996% (0.82   0.02   0.02) =   0.000%
        T HB2   LYS+  38 - HB3   GLN   90  29.11 +/- 0.83   0.000% *  0.1211% (0.17   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1055 (1.87, 1.87, 31.73 ppm):
    1 diagonal assignment:
    *     HB3   GLN   90 - HB3   GLN   90  (0.70)  kept
 
    Peak 1056 (2.27, 1.87, 31.73 ppm):
    9 chemical-shift based assignments, quality = 0.749, support = 3.63, residual support = 89.6:
    * O T QG    GLN   90 - HB3   GLN   90   2.43 +/- 0.13  99.966% * 96.7055% (0.75   3.63  89.58) = 100.000%  kept
          HG3   MET   92 - HB3   GLN   90   9.57 +/- 0.76   0.031% *  0.0917% (0.13   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB3   GLN   90  14.91 +/- 0.87   0.002% *  0.5889% (0.83   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   GLN   90  19.98 +/- 1.24   0.000% *  0.5620% (0.79   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   GLN   90  20.85 +/- 1.05   0.000% *  0.3364% (0.47   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   GLN   90  25.36 +/- 1.76   0.000% *  0.5928% (0.83   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   GLN   90  25.65 +/- 2.34   0.000% *  0.5824% (0.82   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLN   90  22.53 +/- 1.72   0.000% *  0.1323% (0.19   0.02   0.02) =   0.000%
          QB    MET   11 - HB3   GLN   90  32.49 +/- 3.00   0.000% *  0.4081% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1057 (4.46, 2.27, 34.07 ppm):
    5 chemical-shift based assignments, quality = 0.879, support = 3.31, residual support = 89.6:
    * O T HA    GLN   90 - QG    GLN   90   2.80 +/- 0.47  99.898% * 98.4496% (0.88   3.31  89.58) = 100.000%  kept
          HA    ALA  110 - QG    GLN   90  12.26 +/- 1.37   0.036% *  0.5601% (0.83   0.02   0.02) =   0.000%
          HA    VAL  107 - QG    GLN   90  12.29 +/- 1.90   0.057% *  0.0936% (0.14   0.02   0.02) =   0.000%
          HA    VAL   42 - QG    GLN   90  14.49 +/- 0.45   0.007% *  0.2953% (0.44   0.02   0.02) =   0.000%
          HA    PHE   55 - QG    GLN   90  17.66 +/- 0.78   0.003% *  0.6014% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1058 (2.15, 2.27, 34.07 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.63, residual support = 89.6:
    * O T HB2   GLN   90 - QG    GLN   90   2.35 +/- 0.11  99.955% * 97.5320% (0.72   3.63  89.58) = 100.000%  kept
        T HB3   GLU-  79 - QG    GLN   90  10.24 +/- 2.64   0.044% *  0.6350% (0.85   0.02   0.02) =   0.000%
          HB3   GLU-  29 - QG    GLN   90  19.58 +/- 2.13   0.000% *  0.6350% (0.85   0.02   0.02) =   0.000%
        T HG3   GLU-  29 - QG    GLN   90  19.23 +/- 2.02   0.000% *  0.4072% (0.54   0.02   0.02) =   0.000%
          QB    GLU-  36 - QG    GLN   90  21.98 +/- 0.96   0.000% *  0.6580% (0.88   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QG    GLN   90  24.74 +/- 0.74   0.000% *  0.1328% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1059 (1.87, 2.27, 34.07 ppm):
    13 chemical-shift based assignments, quality = 0.749, support = 3.63, residual support = 89.6:
    * O T HB3   GLN   90 - QG    GLN   90   2.43 +/- 0.13  97.045% * 94.8960% (0.75   3.63  89.58) =  99.983%  kept
          QB    LYS+  81 - QG    GLN   90   5.88 +/- 2.15   2.663% *  0.5614% (0.80   0.02   0.02) =   0.016%
        T HB2   MET   92 - QG    GLN   90   7.63 +/- 1.46   0.246% *  0.3047% (0.44   0.02   0.02) =   0.001%
          QB    LYS+ 106 - QG    GLN   90  10.27 +/- 1.49   0.035% *  0.5779% (0.83   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    GLN   90  13.31 +/- 0.77   0.004% *  0.5922% (0.85   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    GLN   90  14.61 +/- 1.09   0.002% *  0.3544% (0.51   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    GLN   90  16.09 +/- 1.35   0.001% *  0.4050% (0.58   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    GLN   90  16.67 +/- 1.64   0.001% *  0.4050% (0.58   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    GLN   90  16.97 +/- 0.57   0.001% *  0.3797% (0.54   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG    GLN   90  19.21 +/- 1.35   0.000% *  0.4784% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    GLN   90  19.90 +/- 0.57   0.000% *  0.1932% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    GLN   90  24.41 +/- 0.79   0.000% *  0.5229% (0.75   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    GLN   90  25.94 +/- 1.35   0.000% *  0.3293% (0.47   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1060 (2.27, 2.27, 34.07 ppm):
    1 diagonal assignment:
    *     QG    GLN   90 - QG    GLN   90  (0.80)  kept
 
    Peak 1061 (4.49, 4.49, 51.73 ppm):
    1 diagonal assignment:
    *     HA    ALA   91 - HA    ALA   91  (1.00)  kept
 
    Peak 1062 (1.25, 4.49, 51.73 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.27, residual support = 12.4:
    * O T QB    ALA   91 - HA    ALA   91   2.14 +/- 0.02  99.982% * 94.9654% (1.00   2.27  12.43) = 100.000%  kept
          QG2   ILE   56 - HA    ALA   91   9.30 +/- 0.46   0.016% *  0.6066% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    ALA   91  13.77 +/- 1.10   0.002% *  0.5067% (0.61   0.02   0.02) =   0.000%
        T QG2   THR   23 - HA    ALA   91  15.73 +/- 0.98   0.001% *  0.1860% (0.22   0.02   0.02) =   0.000%
          QB    ALA   34 - HA    ALA   91  19.56 +/- 0.37   0.000% *  0.4395% (0.53   0.02   0.02) =   0.000%
        T QG2   THR   39 - HA    ALA   91  22.67 +/- 0.21   0.000% *  0.8354% (1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    ALA   91  22.49 +/- 0.79   0.000% *  0.6978% (0.84   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    ALA   91  24.03 +/- 0.93   0.000% *  0.4730% (0.57   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    ALA   91  26.08 +/- 0.61   0.000% *  0.5404% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    ALA   91  30.55 +/- 0.90   0.000% *  0.7492% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1063 (4.49, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 1.0, support = 2.27, residual support = 12.4:
    * O T HA    ALA   91 - QB    ALA   91   2.14 +/- 0.02  99.869% * 96.3106% (1.00   2.27  12.43) = 100.000%  kept
          HA    VAL  107 - QB    ALA   91  10.32 +/- 1.45   0.015% *  0.8176% (0.97   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   91   8.91 +/- 1.43   0.057% *  0.1677% (0.20   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   23   7.86 +/- 0.28   0.042% *  0.0822% (0.10   0.02   2.03) =   0.000%
          HA    PRO   52 - QB    ALA   91   9.86 +/- 0.87   0.013% *  0.2615% (0.31   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   THR   39  12.52 +/- 0.43   0.003% *  0.3693% (0.44   0.02   0.02) =   0.000%
          HA    TRP   27 - QB    ALA   91  16.52 +/- 0.26   0.000% *  0.7821% (0.92   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   39  16.75 +/- 0.35   0.000% *  0.3861% (0.46   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   23  15.73 +/- 0.98   0.001% *  0.0891% (0.11   0.02   0.02) =   0.000%
        T HA    ALA   91 - QG2   THR   39  22.67 +/- 0.21   0.000% *  0.4001% (0.47   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   39  19.34 +/- 0.44   0.000% *  0.0792% (0.09   0.02   0.02) =   0.000%
          HA    VAL  107 - QG2   THR   23  21.41 +/- 0.33   0.000% *  0.0860% (0.10   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   39  23.10 +/- 0.35   0.000% *  0.1235% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   THR   23  19.86 +/- 0.46   0.000% *  0.0275% (0.03   0.02   0.02) =   0.000%
          HA    ALA  110 - QG2   THR   23  20.00 +/- 0.36   0.000% *  0.0176% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.76 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 = 128.8:
    * O T HA    PRO   93 - HD2   PRO   93   3.98 +/- 0.00 100.000% *100.0000% (0.73   5.31 128.77) = 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 = 0.695, support = 5.11, residual support = 121.1:
    * O T HB2   PRO   93 - HD2   PRO   93   4.04 +/- 0.00  39.320% * 94.3264% (0.73   5.40 128.77) =  93.890%  kept
          HG3   PRO   52 - HD2   PRO   93   3.77 +/- 0.41  59.600% *  4.0449% (0.22   0.75   3.57) =   6.103%  kept
          HB    VAL  108 - HD2   PRO   93   7.81 +/- 0.58   0.884% *  0.2798% (0.58   0.02   0.02) =   0.006%
          HB2   ARG+  54 - HD2   PRO   93  10.57 +/- 0.55   0.127% *  0.3031% (0.63   0.02   0.02) =   0.001%
          HG2   PRO   58 - HD2   PRO   93  12.10 +/- 0.40   0.053% *  0.1079% (0.22   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   PRO   93  15.44 +/- 0.58   0.012% *  0.1979% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   PRO   93  21.78 +/- 0.47   0.002% *  0.1979% (0.41   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   PRO   93  22.43 +/- 0.78   0.001% *  0.0972% (0.20   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   PRO   93  27.38 +/- 0.22   0.000% *  0.1701% (0.35   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD2   PRO   93  26.56 +/- 2.09   0.001% *  0.1312% (0.27   0.02   0.02) =   0.000%
          HG2   MET   11 - HD2   PRO   93  34.54 +/- 2.93   0.000% *  0.1437% (0.30   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 128.8:
    * O T HG2   PRO   93 - HD2   PRO   93   2.30 +/- 0.00  97.778% * 97.2556% (0.73   4.00 128.77) =  99.996%  kept
          HB3   PRO   52 - HD2   PRO   93   4.38 +/- 0.30   2.219% *  0.1501% (0.22   0.02   3.57) =   0.004%
          QB    LYS+  66 - HD2   PRO   93  17.95 +/- 0.63   0.000% *  0.4361% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD2   PRO   93  17.80 +/- 0.38   0.000% *  0.4062% (0.61   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   PRO   93  17.73 +/- 0.35   0.000% *  0.2753% (0.41   0.02   0.02) =   0.000%
          HB    VAL   41 - HD2   PRO   93  19.55 +/- 0.72   0.000% *  0.3531% (0.53   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD2   PRO   93  20.77 +/- 0.49   0.000% *  0.4489% (0.67   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   PRO   93  21.75 +/- 0.58   0.000% *  0.3894% (0.58   0.02   0.02) =   0.000%
          HG    LEU  123 - HD2   PRO   93  20.33 +/- 0.61   0.000% *  0.1501% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   PRO   93  22.11 +/- 0.70   0.000% *  0.1352% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 128.8:
    * O T HD3   PRO   93 - HD2   PRO   93   1.75 +/- 0.00  99.942% * 97.7197% (0.65   4.00 128.77) = 100.000%  kept
          HB3   CYS   53 - HD2   PRO   93   6.96 +/- 0.56   0.029% *  0.5400% (0.72   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   93   7.19 +/- 0.74   0.025% *  0.4362% (0.58   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   93  10.07 +/- 0.62   0.003% *  0.2866% (0.38   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   93  12.20 +/- 0.82   0.001% *  0.5448% (0.73   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD2   PRO   93  22.99 +/- 0.87   0.000% *  0.4726% (0.63   0.02   0.02) =   0.000%
    Distance limit 2.66 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 = 128.8:
    * O T HA    PRO   93 - HD3   PRO   93   3.79 +/- 0.00  99.996% * 99.9331% (0.90   5.31 128.77) = 100.000%  kept
        T HA    PRO   93 - HD3   PRO   68  20.67 +/- 0.72   0.004% *  0.0669% (0.16   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 0.64, support = 3.78, residual support = 76.9:
    * O T HB2   PRO   93 - HD3   PRO   93   3.53 +/- 0.00  10.818% * 90.3370% (0.90   5.40 128.77) =  58.605%  kept
          HG3   PRO   52 - HD3   PRO   93   2.36 +/- 0.41  89.092% *  7.7477% (0.28   1.50   3.57) =  41.394%  kept
          HB    VAL  108 - HD3   PRO   93   9.44 +/- 0.63   0.036% *  0.2680% (0.72   0.02   0.02) =   0.001%
        T HB2   ARG+  54 - HD3   PRO   93   9.71 +/- 0.59   0.028% *  0.2903% (0.78   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   93  12.21 +/- 0.22   0.006% *  0.1033% (0.28   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   68  11.95 +/- 1.16   0.010% *  0.0337% (0.09   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   PRO   93  16.36 +/- 0.54   0.001% *  0.1895% (0.51   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   68  15.00 +/- 1.21   0.002% *  0.0224% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   68  16.17 +/- 0.31   0.001% *  0.0337% (0.09   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   PRO   93  21.50 +/- 0.48   0.000% *  0.1895% (0.51   0.02   0.02) =   0.000%
          HG2   PRO   58 - HD3   PRO   68  15.69 +/- 0.69   0.001% *  0.0184% (0.05   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   68  18.33 +/- 1.10   0.001% *  0.0290% (0.08   0.02   0.02) =   0.000%
        T HB2   PRO   93 - HD3   PRO   68  20.04 +/- 0.74   0.000% *  0.0596% (0.16   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   93  21.98 +/- 0.81   0.000% *  0.0931% (0.25   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   PRO   68  17.78 +/- 0.62   0.001% *  0.0166% (0.04   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   68  21.53 +/- 2.10   0.000% *  0.0245% (0.07   0.02   0.02) =   0.000%
        T HB2   GLU-  14 - HD3   PRO   93  26.00 +/- 2.13   0.000% *  0.1256% (0.34   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   PRO   68  22.79 +/- 1.17   0.000% *  0.0477% (0.13   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HD3   PRO   68  22.73 +/- 0.62   0.000% *  0.0517% (0.14   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   PRO   93  28.11 +/- 0.25   0.000% *  0.1629% (0.44   0.02   0.02) =   0.000%
        T HG2   MET   11 - HD3   PRO   93  33.95 +/- 2.98   0.000% *  0.1376% (0.37   0.02   0.02) =   0.000%
          HG3   PRO   52 - HD3   PRO   68  24.30 +/- 0.80   0.000% *  0.0184% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.896, support = 4.0, residual support = 128.7:
    * O T HG2   PRO   93 - HD3   PRO   93   2.91 +/- 0.00  73.757% * 96.6997% (0.90   4.00 128.77) =  99.957%  kept
        T HB3   PRO   52 - HD3   PRO   93   3.83 +/- 0.10  14.113% *  0.1492% (0.28   0.02   3.57) =   0.030%
          QB    LYS+  66 - HD3   PRO   68   4.32 +/- 0.63  11.050% *  0.0772% (0.14   0.02   0.02) =   0.012%
          QB    LYS+  65 - HD3   PRO   68   6.47 +/- 1.00   0.935% *  0.0719% (0.13   0.02   0.02) =   0.001%
          HG    LEU  123 - HD3   PRO   68   9.88 +/- 1.27   0.070% *  0.0266% (0.05   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   68  11.22 +/- 0.50   0.023% *  0.0689% (0.13   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   68  11.01 +/- 1.28   0.035% *  0.0239% (0.04   0.02   0.02) =   0.000%
          QB    LYS+  65 - HD3   PRO   93  17.75 +/- 0.28   0.001% *  0.4039% (0.75   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD3   PRO   93  18.30 +/- 0.49   0.001% *  0.4336% (0.80   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   68  13.85 +/- 0.95   0.007% *  0.0625% (0.12   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   93  18.65 +/- 0.34   0.001% *  0.2737% (0.51   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   93  19.86 +/- 0.67   0.001% *  0.3511% (0.65   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   93  21.70 +/- 0.46   0.000% *  0.4463% (0.83   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD3   PRO   93  21.83 +/- 0.58   0.000% *  0.3872% (0.72   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HD3   PRO   68  17.53 +/- 1.41   0.002% *  0.0794% (0.15   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   93  21.19 +/- 0.55   0.000% *  0.1492% (0.28   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD3   PRO   93  21.61 +/- 0.73   0.000% *  0.1344% (0.25   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   68  18.83 +/- 1.29   0.001% *  0.0487% (0.09   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HD3   PRO   68  21.09 +/- 1.01   0.001% *  0.0860% (0.16   0.02   0.02) =   0.000%
        T HB3   PRO   52 - HD3   PRO   68  24.55 +/- 0.85   0.000% *  0.0266% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 128.8:
    * O T HD2   PRO   93 - HD3   PRO   93   1.75 +/- 0.00  99.996% * 98.6141% (0.65   4.00 128.77) = 100.000%  kept
          HA    THR   77 - HD3   PRO   93   9.82 +/- 0.45   0.003% *  0.6090% (0.80   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   93  18.94 +/- 0.40   0.000% *  0.4931% (0.65   0.02   0.02) =   0.000%
          HB2   TRP   27 - HD3   PRO   68  22.26 +/- 0.37   0.000% *  0.0878% (0.12   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HD3   PRO   68  22.99 +/- 0.87   0.000% *  0.0878% (0.12   0.02   0.02) =   0.000%
          HA    THR   77 - HD3   PRO   68  24.62 +/- 0.55   0.000% *  0.1084% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.78 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 = 128.8:
    * O T HB2   PRO   93 - HA    PRO   93   2.30 +/- 0.00  99.352% * 98.3650% (1.00   5.98 128.77) =  99.999%  kept
          HG3   PRO   52 - HA    PRO   93   5.61 +/- 0.62   0.592% *  0.1016% (0.31   0.02   3.57) =   0.001%
          HB    VAL  108 - HA    PRO   93   8.81 +/- 0.83   0.041% *  0.2635% (0.80   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    PRO   93  11.51 +/- 0.75   0.007% *  0.2854% (0.87   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    PRO   93  12.09 +/- 0.51   0.005% *  0.1016% (0.31   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    PRO   93  14.99 +/- 0.66   0.001% *  0.1863% (0.57   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    PRO   93  17.95 +/- 0.46   0.000% *  0.1863% (0.57   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    PRO   93  18.56 +/- 0.80   0.000% *  0.0915% (0.28   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HA    PRO   93  23.06 +/- 2.10   0.000% *  0.1235% (0.38   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    PRO   93  24.59 +/- 0.31   0.000% *  0.1602% (0.49   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    PRO   93  31.09 +/- 3.04   0.000% *  0.1353% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 128.8:
    * O T HG2   PRO   93 - HA    PRO   93   3.97 +/- 0.00  97.234% * 97.9201% (1.00   5.31 128.77) =  99.996%  kept
          HB3   PRO   52 - HA    PRO   93   7.26 +/- 0.16   2.638% *  0.1138% (0.31   0.02   3.57) =   0.003%
          QB    LYS+  65 - HA    PRO   93  16.01 +/- 0.35   0.023% *  0.3078% (0.84   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    PRO   93  16.34 +/- 0.33   0.020% *  0.3305% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    PRO   93  15.44 +/- 0.39   0.029% *  0.2087% (0.57   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    PRO   93  16.16 +/- 0.68   0.022% *  0.2676% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    PRO   93  18.23 +/- 0.54   0.011% *  0.2951% (0.80   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    PRO   93  18.93 +/- 0.40   0.008% *  0.3402% (0.92   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    PRO   93  19.04 +/- 0.64   0.008% *  0.1025% (0.28   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    PRO   93  19.55 +/- 0.65   0.007% *  0.1138% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.64 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 = 128.8:
    * O T HD2   PRO   93 - HA    PRO   93   3.98 +/- 0.00  98.167% * 99.1658% (0.73   5.31 128.77) =  99.991%  kept
          HA    THR   77 - HA    PRO   93   7.83 +/- 0.45   1.807% *  0.4610% (0.90   0.02   0.02) =   0.009%
          HB2   TRP   27 - HA    PRO   93  15.70 +/- 0.38   0.026% *  0.3732% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.30 A, kept.
 
    Peak 1079 (3.34, 5.07, 63.17 ppm):
    6 chemical-shift based assignments, quality = 0.896, support = 5.31, residual support = 128.7:
    * O T HD3   PRO   93 - HA    PRO   93   3.79 +/- 0.00  90.621% * 98.2738% (0.90   5.31 128.77) =  99.959%  kept
          HB3   CYS   53 - HA    PRO   93   5.90 +/- 0.70   8.083% *  0.4088% (0.99   0.02   0.02) =   0.037%
          QB    PHE   55 - HA    PRO   93   8.73 +/- 0.91   0.721% *  0.3302% (0.80   0.02   0.02) =   0.003%
          HB2   PHE   59 - HA    PRO   93   9.15 +/- 0.73   0.515% *  0.2170% (0.53   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HA    PRO   93  13.09 +/- 0.79   0.057% *  0.4124% (1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HA    PRO   93  20.67 +/- 0.72   0.004% *  0.3578% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 128.8:
    * O T HG2   PRO   93 - HB2   PRO   93   2.96 +/- 0.00  98.132% * 97.7682% (1.00   5.40 128.77) =  99.998%  kept
        T HB3   PRO   52 - HB2   PRO   93   6.05 +/- 0.30   1.411% *  0.1118% (0.31   0.02   3.57) =   0.002%
          HB2   LEU   71 - HG3   GLN   30   8.10 +/- 0.77   0.290% *  0.0226% (0.06   0.02   0.02) =   0.000%
          HB    VAL   41 - HG3   GLN   30   9.61 +/- 0.95   0.108% *  0.0205% (0.06   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   PRO   93  14.86 +/- 0.25   0.006% *  0.3026% (0.84   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   PRO   93  15.52 +/- 0.36   0.005% *  0.3249% (0.90   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   PRO   93  17.08 +/- 0.62   0.003% *  0.2630% (0.73   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   PRO   93  16.97 +/- 0.50   0.003% *  0.2051% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   PRO   93  18.66 +/- 0.79   0.002% *  0.2900% (0.80   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   PRO   93  20.11 +/- 0.40   0.001% *  0.3344% (0.92   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HG3   GLN   30  12.13 +/- 1.21   0.026% *  0.0078% (0.02   0.02   0.02) =   0.000%
          HB3   GLN   17 - HB2   PRO   93  18.26 +/- 0.70   0.002% *  0.1007% (0.28   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PRO   93  18.75 +/- 0.60   0.002% *  0.1118% (0.31   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   GLN   30  16.43 +/- 0.65   0.003% *  0.0236% (0.07   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   GLN   30  17.49 +/- 0.67   0.002% *  0.0253% (0.07   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG3   GLN   30  18.31 +/- 0.82   0.002% *  0.0261% (0.07   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   GLN   30  17.11 +/- 0.73   0.003% *  0.0160% (0.04   0.02   0.02) =   0.000%
        T HG2   PRO   93 - HG3   GLN   30  21.76 +/- 0.94   0.001% *  0.0282% (0.08   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   GLN   30  24.66 +/- 0.92   0.000% *  0.0087% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   GLN   30  24.92 +/- 0.76   0.000% *  0.0087% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 128.8:
    * O T HD2   PRO   93 - HB2   PRO   93   4.04 +/- 0.00  95.364% * 99.0869% (0.73   5.40 128.77) =  99.996%  kept
          HA    THR   77 - HB2   PRO   93   9.44 +/- 0.57   0.630% *  0.4534% (0.90   0.02   0.02) =   0.003%
          HB2   TRP   27 - HG3   GLN   30   7.21 +/- 0.73   3.959% *  0.0286% (0.06   0.02   0.02) =   0.001%
          HB2   TRP   27 - HB2   PRO   93  16.97 +/- 0.67   0.018% *  0.3671% (0.73   0.02   0.02) =   0.000%
          HA    THR   77 - HG3   GLN   30  15.89 +/- 0.65   0.026% *  0.0353% (0.07   0.02   0.02) =   0.000%
        T HD2   PRO   93 - HG3   GLN   30  22.43 +/- 0.78   0.003% *  0.0286% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.78 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 = 128.5:
    * O T HD3   PRO   93 - HB2   PRO   93   3.53 +/- 0.00  67.960% * 98.1425% (0.90   5.40 128.77) =  99.811%  kept
          HB3   CYS   53 - HB2   PRO   93   4.16 +/- 0.51  29.521% *  0.4019% (0.99   0.02   0.02) =   0.178%
          QB    PHE   55 - HB2   PRO   93   6.97 +/- 1.00   1.736% *  0.3247% (0.80   0.02   0.02) =   0.008%
          HB2   PHE   59 - HB2   PRO   93   7.80 +/- 0.66   0.690% *  0.2133% (0.53   0.02   0.02) =   0.002%
        T HD2   ARG+  54 - HB2   PRO   93  10.99 +/- 0.72   0.080% *  0.4054% (1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB2   PRO   93  20.04 +/- 0.74   0.002% *  0.3517% (0.87   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG3   GLN   30  17.78 +/- 0.62   0.004% *  0.0274% (0.07   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   GLN   30  19.48 +/- 0.71   0.002% *  0.0313% (0.08   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   GLN   30  19.87 +/- 0.94   0.002% *  0.0166% (0.04   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HG3   GLN   30  21.98 +/- 0.81   0.001% *  0.0283% (0.07   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   GLN   30  22.57 +/- 0.54   0.001% *  0.0253% (0.06   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   GLN   30  25.97 +/- 1.03   0.000% *  0.0316% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 128.8:
    * O T HA    PRO   93 - HG2   PRO   93   3.97 +/- 0.00 100.000% *100.0000% (1.00   5.31 128.77) = 100.000%  kept
    Distance limit 4.98 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 = 128.8:
    * O T HB2   PRO   93 - HG2   PRO   93   2.96 +/- 0.00  87.970% * 98.1923% (1.00   5.40 128.77) =  99.984%  kept
        T HG3   PRO   52 - HG2   PRO   93   4.37 +/- 0.58  11.662% *  0.1123% (0.31   0.02   3.57) =   0.015%
          HB    VAL  108 - HG2   PRO   93   8.36 +/- 0.59   0.195% *  0.2913% (0.80   0.02   0.02) =   0.001%
          HB2   ARG+  54 - HG2   PRO   93   9.28 +/- 0.48   0.097% *  0.3156% (0.87   0.02   0.02) =   0.000%
        T HG2   PRO   58 - HG2   PRO   93   9.90 +/- 0.44   0.064% *  0.1123% (0.31   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   PRO   93  13.55 +/- 0.58   0.010% *  0.2060% (0.57   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   PRO   93  21.03 +/- 0.56   0.001% *  0.2060% (0.57   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   PRO   93  21.76 +/- 0.94   0.001% *  0.1011% (0.28   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HG2   PRO   93  25.20 +/- 2.06   0.000% *  0.1365% (0.38   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   PRO   93  26.75 +/- 0.38   0.000% *  0.1771% (0.49   0.02   0.02) =   0.000%
          HG2   MET   11 - HG2   PRO   93  33.28 +/- 2.58   0.000% *  0.1496% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 128.8:
    * O T HD2   PRO   93 - HG2   PRO   93   2.30 +/- 0.00  99.993% * 98.8948% (0.73   4.00 128.77) = 100.000%  kept
          HA    THR   77 - HG2   PRO   93  11.48 +/- 0.40   0.007% *  0.6107% (0.90   0.02   0.02) =   0.000%
          HB2   TRP   27 - HG2   PRO   93  19.46 +/- 0.43   0.000% *  0.4945% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 128.7:
    * O T HD3   PRO   93 - HG2   PRO   93   2.91 +/- 0.00  96.038% * 97.7197% (0.90   4.00 128.77) =  99.980%  kept
          QB    PHE   55 - HG2   PRO   93   5.71 +/- 0.72   2.100% *  0.4362% (0.80   0.02   0.02) =   0.010%
          HB3   CYS   53 - HG2   PRO   93   5.97 +/- 0.57   1.550% *  0.5400% (0.99   0.02   0.02) =   0.009%
          HB2   PHE   59 - HG2   PRO   93   7.91 +/- 0.70   0.275% *  0.2866% (0.53   0.02   0.02) =   0.001%
          HD2   ARG+  54 - HG2   PRO   93  11.01 +/- 0.73   0.036% *  0.5448% (1.00   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HG2   PRO   93  21.09 +/- 1.01   0.001% *  0.4726% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.78 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   3.06 +/- 0.00  99.841% * 94.0553% (0.84   2.43  25.27) =  99.999%  kept
          QB    SER  117 - HA    THR   94  11.31 +/- 0.48   0.041% *  0.3808% (0.41   0.02   0.02) =   0.000%
          QB    SER   85 - HA    THR   94  12.84 +/- 0.63   0.019% *  0.7737% (0.84   0.02   0.02) =   0.000%
          HD2   PRO   52 - HA    THR   94  10.43 +/- 0.19   0.064% *  0.1833% (0.20   0.02   0.02) =   0.000%
          QB    SER   48 - HA    THR   94  13.99 +/- 0.42   0.011% *  0.8550% (0.92   0.02   0.02) =   0.000%
          HA2   GLY   51 - HA    THR   94  14.00 +/- 0.12   0.011% *  0.6363% (0.69   0.02   0.02) =   0.000%
          HA    ALA  120 - HA    THR   94  16.38 +/- 0.29   0.004% *  0.9263% (1.00   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA    THR   94  16.07 +/- 0.27   0.005% *  0.7079% (0.76   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA    THR   94  18.50 +/- 0.25   0.002% *  0.7079% (0.76   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    THR   94  21.45 +/- 0.53   0.001% *  0.7737% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1092 (1.19, 4.95, 63.38 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.95, residual support = 25.3:
    * O T QG2   THR   94 - HA    THR   94   2.39 +/- 0.09  99.977% * 98.1164% (1.00   2.95  25.27) = 100.000%  kept
          HB3   LYS+ 112 - HA    THR   94  12.37 +/- 0.45   0.006% *  0.6633% (1.00   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    THR   94  10.74 +/- 0.33   0.013% *  0.2052% (0.31   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HA    THR   94  13.10 +/- 0.56   0.004% *  0.5323% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    THR   94  17.69 +/- 0.84   0.001% *  0.4827% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.46 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   3.06 +/- 0.00  99.880% * 99.7953% (0.84   2.43  25.27) = 100.000%  kept
          HA    LYS+  74 - HB    THR   94   9.42 +/- 0.26   0.120% *  0.2047% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.91 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  99.989% * 97.7240% (0.84   2.43  25.27) = 100.000%  kept
          HG13  ILE  103 - HB    THR   94  10.21 +/- 0.23   0.009% *  0.2479% (0.26   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HB    THR   94  15.34 +/- 0.47   0.001% *  0.8015% (0.83   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HB    THR   94  15.95 +/- 0.58   0.001% *  0.6432% (0.67   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB    THR   94  17.26 +/- 1.03   0.000% *  0.5833% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1096 (4.95, 1.19, 21.81 ppm):
    2 chemical-shift based assignments, quality = 1.0, support = 2.95, residual support = 25.3:
    * O T HA    THR   94 - QG2   THR   94   2.39 +/- 0.09  99.966% * 99.8313% (1.00   2.95  25.27) = 100.000%  kept
          HA    LYS+  74 - QG2   THR   94   9.12 +/- 0.19   0.034% *  0.1687% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.26 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  99.957% * 94.0591% (0.84   2.43  25.27) = 100.000%  kept
          QB    SER   85 - QG2   THR   94   9.14 +/- 0.55   0.019% *  0.7732% (0.84   0.02   0.02) =   0.000%
          QB    SER  117 - QG2   THR   94  10.14 +/- 0.45   0.010% *  0.3806% (0.41   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   THR   94  12.47 +/- 0.34   0.003% *  0.8545% (0.92   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   THR   94  10.63 +/- 0.09   0.007% *  0.1832% (0.20   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QG2   THR   94  13.73 +/- 0.31   0.002% *  0.7074% (0.76   0.02   0.02) =   0.000%
          HA    ALA  120 - QG2   THR   94  14.64 +/- 0.25   0.001% *  0.9257% (1.00   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   THR   94  13.75 +/- 0.12   0.002% *  0.6358% (0.69   0.02   0.02) =   0.000%
          HA    LYS+  65 - QG2   THR   94  16.67 +/- 0.23   0.000% *  0.7074% (0.76   0.02   0.02) =   0.000%
          HA2   GLY   16 - QG2   THR   94  18.65 +/- 0.55   0.000% *  0.7732% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.94 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   3.08 +/- 0.00 100.000% *100.0000% (1.00   3.44  73.52) = 100.000%  kept
    Distance limit 3.78 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   2.59 +/- 0.03  99.994% * 99.3383% (1.00   4.00  73.52) = 100.000%  kept
          HG2   GLN  116 - HA    PHE   95  13.21 +/- 0.37   0.006% *  0.4923% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    PHE   95  21.45 +/- 0.30   0.000% *  0.1694% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.34 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   3.08 +/- 0.00 100.000% *100.0000% (1.00   3.44  73.52) = 100.000%  kept
    Distance limit 3.86 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  73.52) = 100.000%  kept
          HG2   GLN  116 - HB2   PHE   95  10.82 +/- 0.33   0.002% *  0.5937% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   PHE   95  24.42 +/- 0.31   0.000% *  0.2043% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.69 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   2.59 +/- 0.03 100.000% *100.0000% (1.00   4.00  73.52) = 100.000%  kept
    Distance limit 3.51 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  73.52) = 100.000%  kept
    Distance limit 2.66 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   3.04 +/- 0.02  98.861% * 98.5022% (0.98   5.00 115.55) =  99.998%  kept
          HB2   ASP- 105 - HA    MET   96   6.45 +/- 0.14   1.097% *  0.1620% (0.40   0.02   0.02) =   0.002%
          HB    VAL   70 - HA    MET   96  12.13 +/- 0.26   0.025% *  0.3011% (0.75   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   96  14.64 +/- 0.52   0.008% *  0.2861% (0.71   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    MET   96  16.01 +/- 0.24   0.005% *  0.2549% (0.63   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    MET   96  16.65 +/- 0.51   0.004% *  0.2706% (0.67   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    MET   96  20.96 +/- 0.30   0.001% *  0.2231% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.54 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   2.67 +/- 0.06  99.981% * 98.9690% (0.98   5.00 115.55) = 100.000%  kept
          HB2   LEU   40 - HA    MET   96  11.41 +/- 0.45   0.018% *  0.3170% (0.78   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   96  22.10 +/- 1.73   0.000% *  0.3434% (0.85   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    MET   96  19.34 +/- 0.45   0.001% *  0.0987% (0.24   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   96  29.46 +/- 3.05   0.000% *  0.2719% (0.67   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1111 (2.61, 5.31, 54.03 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.5:
    * O T HG2   MET   96 - HA    MET   96   3.43 +/- 0.28  99.982% * 99.8313% (0.98   4.44 115.55) = 100.000%  kept
        T HB2   PRO   52 - HA    MET   96  14.70 +/- 0.23   0.018% *  0.1687% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.91 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   2.30 +/- 0.15  99.951% * 98.8561% (0.59   4.44 115.55) = 100.000%  kept
          HB3   TRP   87 - HA    MET   96   8.34 +/- 0.26   0.046% *  0.1634% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    MET   96  15.36 +/- 0.81   0.001% *  0.1634% (0.22   0.02   0.02) =   0.000%
          HG3   GLN  116 - HA    MET   96  16.51 +/- 0.32   0.001% *  0.2041% (0.27   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    MET   96  20.42 +/- 0.83   0.000% *  0.6130% (0.82   0.02   0.02) =   0.000%
    Distance limit 4.25 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   3.04 +/- 0.02  99.706% * 99.9092% (0.98   5.00 115.55) = 100.000%  kept
          HA    PHE   72 - HB2   MET   96   8.07 +/- 0.26   0.294% *  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 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   5.00 115.55) = 100.000%  kept
          HB2   LEU   40 - HB2   MET   96  11.01 +/- 0.45   0.002% *  0.3170% (0.80   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   MET   96  19.96 +/- 1.81   0.000% *  0.3434% (0.87   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB2   MET   96  19.79 +/- 0.47   0.000% *  0.0987% (0.25   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   MET   96  27.20 +/- 3.27   0.000% *  0.2719% (0.69   0.02   0.02) =   0.000%
    Distance limit 2.51 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   2.39 +/- 0.26  99.998% * 99.8313% (1.00   4.44 115.55) = 100.000%  kept
        T HB2   PRO   52 - HB2   MET   96  15.49 +/- 0.25   0.002% *  0.1687% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.02 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   2.83 +/- 0.07  99.451% * 98.8561% (0.61   4.44 115.55) =  99.999%  kept
          HB3   TRP   87 - HB2   MET   96   6.80 +/- 0.28   0.543% *  0.1634% (0.22   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HB2   MET   96  18.22 +/- 0.84   0.001% *  0.6130% (0.84   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB2   MET   96  15.99 +/- 0.87   0.003% *  0.1634% (0.22   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   MET   96  18.66 +/- 0.33   0.001% *  0.2041% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.32 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   2.67 +/- 0.06  99.944% * 99.9092% (0.98   5.00 115.55) = 100.000%  kept
          HA    PHE   72 - HB3   MET   96   9.37 +/- 0.27   0.056% *  0.0908% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.76 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   5.00 115.55) = 100.000%  kept
          HB2   ASP- 105 - HB3   MET   96   9.08 +/- 0.14   0.005% *  0.1620% (0.41   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   MET   96  12.95 +/- 0.34   0.001% *  0.3011% (0.76   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   96  13.73 +/- 0.26   0.000% *  0.2549% (0.65   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   96  15.52 +/- 0.67   0.000% *  0.2861% (0.73   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   MET   96  16.09 +/- 0.70   0.000% *  0.2706% (0.69   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   MET   96  18.58 +/- 0.36   0.000% *  0.2231% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.55 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   2.77 +/- 0.19  99.994% * 99.8313% (1.00   4.44 115.55) = 100.000%  kept
        T HB2   PRO   52 - HB3   MET   96  14.25 +/- 0.17   0.006% *  0.1687% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1122 (2.47, 1.93, 36.87 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.5:
    * O T HG3   MET   96 - HB3   MET   96   2.94 +/- 0.05  98.575% * 98.8561% (0.61   4.44 115.55) =  99.998%  kept
          HB3   TRP   87 - HB3   MET   96   5.99 +/- 0.25   1.419% *  0.1634% (0.22   0.02   0.02) =   0.002%
          HG2   GLU-  36 - HB3   MET   96  19.86 +/- 0.80   0.001% *  0.6130% (0.84   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   MET   96  16.18 +/- 0.80   0.004% *  0.1634% (0.22   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB3   MET   96  18.15 +/- 0.35   0.002% *  0.2041% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1123 (5.31, 2.61, 32.67 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.44, residual support = 115.5:
    * O T HA    MET   96 - HG2   MET   96   3.43 +/- 0.28  99.778% * 99.7361% (0.98   4.44 115.55) = 100.000%  kept
          HA    PHE   72 - HG2   MET   96  10.01 +/- 0.49   0.199% *  0.1020% (0.22   0.02   0.02) =   0.000%
        T HA    MET   96 - HB2   PRO   52  14.70 +/- 0.23   0.017% *  0.1319% (0.29   0.02   0.02) =   0.000%
          HA    PHE   72 - HB2   PRO   52  17.90 +/- 0.35   0.005% *  0.0300% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.39 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   2.39 +/- 0.26  99.941% * 97.7069% (1.00   4.44 115.55) = 100.000%  kept
          HB2   ASP- 105 - HG2   MET   96   9.30 +/- 0.27   0.041% *  0.1809% (0.41   0.02   0.02) =   0.000%
          HB    VAL   70 - HG2   MET   96  13.01 +/- 0.52   0.004% *  0.3362% (0.76   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG2   MET   96  13.55 +/- 0.83   0.003% *  0.3195% (0.73   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG2   MET   96  15.70 +/- 0.24   0.002% *  0.2846% (0.65   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   PRO   52  13.17 +/- 0.63   0.004% *  0.0836% (0.19   0.02   0.02) =   0.000%
          QG    GLN   17 - HG2   MET   96  17.04 +/- 0.88   0.001% *  0.3022% (0.69   0.02   0.02) =   0.000%
        T HB2   MET   96 - HB2   PRO   52  15.49 +/- 0.25   0.002% *  0.1292% (0.29   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG2   MET   96  18.70 +/- 0.41   0.000% *  0.2491% (0.57   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB2   PRO   52  16.60 +/- 0.47   0.001% *  0.0531% (0.12   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   PRO   52  19.14 +/- 0.65   0.001% *  0.0888% (0.20   0.02   0.02) =   0.000%
          HB    VAL   70 - HB2   PRO   52  21.27 +/- 0.73   0.000% *  0.0988% (0.22   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   PRO   52  25.79 +/- 0.57   0.000% *  0.0732% (0.17   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   PRO   52  28.53 +/- 0.76   0.000% *  0.0938% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.30 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   2.77 +/- 0.19  99.171% * 98.3772% (1.00   4.44 115.55) = 100.000%  kept
          HB3   ARG+  54 - HB2   PRO   52   6.51 +/- 0.86   0.800% *  0.0324% (0.07   0.02   0.02) =   0.000%
          HB2   LEU   40 - HG2   MET   96  11.62 +/- 0.68   0.022% *  0.3547% (0.80   0.02   0.02) =   0.000%
        T HB3   MET   96 - HB2   PRO   52  14.25 +/- 0.17   0.006% *  0.1301% (0.29   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG2   MET   96  21.74 +/- 2.00   0.001% *  0.3843% (0.87   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG2   MET   96  21.58 +/- 0.53   0.000% *  0.1105% (0.25   0.02   0.02) =   0.000%
          HG3   MET   11 - HG2   MET   96  28.64 +/- 3.49   0.000% *  0.3043% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   40 - HB2   PRO   52  23.48 +/- 0.56   0.000% *  0.1042% (0.24   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HB2   PRO   52  26.57 +/- 1.86   0.000% *  0.1129% (0.25   0.02   0.02) =   0.000%
          HG3   MET   11 - HB2   PRO   52  34.51 +/- 2.72   0.000% *  0.0894% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.25 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  99.955% * 98.2230% (0.61   4.00 115.55) = 100.000%  kept
          HB3   TRP   87 - HG2   MET   96   6.40 +/- 0.26   0.044% *  0.1803% (0.22   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   MET   96  18.34 +/- 0.83   0.000% *  0.6763% (0.84   0.02   0.02) =   0.000%
          HG3   GLN  116 - HB2   PRO   52  13.90 +/- 0.74   0.000% *  0.0661% (0.08   0.02   0.02) =   0.000%
        T HG3   MET   96 - HB2   PRO   52  16.52 +/- 0.31   0.000% *  0.1443% (0.18   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG2   MET   96  17.97 +/- 0.83   0.000% *  0.1803% (0.22   0.02   0.02) =   0.000%
        T HB3   ASP-  62 - HB2   PRO   52  14.65 +/- 0.70   0.000% *  0.0530% (0.07   0.02   0.02) =   0.000%
          HG3   GLN  116 - HG2   MET   96  19.87 +/- 0.37   0.000% *  0.2251% (0.28   0.02   0.02) =   0.000%
          HB3   TRP   87 - HB2   PRO   52  15.85 +/- 0.31   0.000% *  0.0530% (0.07   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HB2   PRO   52  32.21 +/- 1.28   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   2.30 +/- 0.15  99.985% * 99.8978% (0.59   4.44 115.55) = 100.000%  kept
          HA    PHE   72 - HG3   MET   96  10.30 +/- 0.42   0.015% *  0.1022% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.33 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   2.83 +/- 0.07  99.749% * 98.3170% (0.61   4.44 115.55) =  99.999%  kept
          HB2   ASP- 105 - HG3   MET   96   7.84 +/- 0.16   0.225% *  0.1820% (0.25   0.02   0.02) =   0.000%
          HB    VAL   70 - HG3   MET   96  12.74 +/- 0.42   0.012% *  0.3383% (0.46   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   MET   96  13.54 +/- 0.78   0.009% *  0.3215% (0.44   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   MET   96  16.53 +/- 0.26   0.003% *  0.2864% (0.39   0.02   0.02) =   0.000%
          QG    GLN   17 - HG3   MET   96  17.36 +/- 0.72   0.002% *  0.3041% (0.42   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HG3   MET   96  20.12 +/- 0.36   0.001% *  0.2506% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1130 (1.93, 2.47, 32.67 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.44, residual support = 115.5:
    * O T HB3   MET   96 - HG3   MET   96   2.94 +/- 0.05  99.966% * 98.8408% (0.61   4.44 115.55) = 100.000%  kept
          HB2   LEU   40 - HG3   MET   96  11.32 +/- 0.51   0.032% *  0.3564% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HG3   MET   96  22.35 +/- 1.80   0.001% *  0.3861% (0.53   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG3   MET   96  21.29 +/- 0.54   0.001% *  0.1110% (0.15   0.02   0.02) =   0.000%
          HG3   MET   11 - HG3   MET   96  29.37 +/- 3.29   0.000% *  0.3057% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.25 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   4.00 115.55) = 100.000%  kept
        T HB2   PRO   52 - HG3   MET   96  16.52 +/- 0.31   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   3.04 +/- 0.02  99.249% * 98.0626% (1.00   2.89  62.65) =  99.997%  kept
          QE    LYS+ 106 - HA    PHE   97   8.38 +/- 0.89   0.301% *  0.4921% (0.73   0.02  12.38) =   0.002%
          QE    LYS+  99 - HA    PHE   97   7.73 +/- 0.34   0.384% *  0.2786% (0.41   0.02   0.02) =   0.001%
          HB3   PHE   60 - HA    PHE   97  11.04 +/- 0.67   0.047% *  0.3565% (0.53   0.02   0.02) =   0.000%
          HB3   TRP   27 - HA    PHE   97  13.64 +/- 0.42   0.012% *  0.6761% (1.00   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    PHE   97  14.92 +/- 0.32   0.007% *  0.1341% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1135 (2.36, 5.36, 56.63 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.44, residual support = 62.7:
    * O T HB3   PHE   97 - HA    PHE   97   2.72 +/- 0.05  99.973% * 98.4072% (0.95   3.44  62.65) = 100.000%  kept
          HB2   GLU- 100 - HA    PHE   97  11.21 +/- 0.46   0.021% *  0.4392% (0.73   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    PHE   97  15.98 +/- 0.32   0.002% *  0.5052% (0.84   0.02   0.02) =   0.000%
          HB2   PRO   58 - HA    PHE   97  17.62 +/- 0.31   0.001% *  0.5424% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    PHE   97  17.68 +/- 0.81   0.001% *  0.1059% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1136 (5.36, 2.99, 40.60 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.89, residual support = 62.7:
    * O T HA    PHE   97 - HB2   PHE   97   3.04 +/- 0.02 100.000% *100.0000% (1.00   2.89  62.65) = 100.000%  kept
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1137 (2.99, 2.99, 40.60 ppm):
    1 diagonal assignment:
    *     HB2   PHE   97 - HB2   PHE   97  (1.00)  kept
 
    Peak 1138 (2.36, 2.99, 40.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.31, residual support = 62.7:
    * O T HB3   PHE   97 - HB2   PHE   97   1.75 +/- 0.00  99.998% * 98.3470% (0.95   3.31  62.65) = 100.000%  kept
          HB2   GLU- 100 - HB2   PHE   97  11.97 +/- 0.74   0.001% *  0.4558% (0.73   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   PHE   97  14.12 +/- 0.36   0.000% *  0.5243% (0.84   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB2   PHE   97  17.77 +/- 0.37   0.000% *  0.5630% (0.90   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB2   PHE   97  19.46 +/- 0.79   0.000% *  0.1099% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1139 (5.36, 2.36, 40.60 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 3.44, residual support = 62.7:
    * O T HA    PHE   97 - HB3   PHE   97   2.72 +/- 0.05 100.000% *100.0000% (0.95   3.44  62.65) = 100.000%  kept
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1140 (2.99, 2.36, 40.60 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.31, residual support = 62.7:
    * O T HB2   PHE   97 - HB3   PHE   97   1.75 +/- 0.00  99.953% * 98.3030% (0.95   3.31  62.65) = 100.000%  kept
          QE    LYS+ 106 - HB3   PHE   97   7.64 +/- 0.92   0.024% *  0.4310% (0.69   0.02  12.38) =   0.000%
          QE    LYS+  99 - HB3   PHE   97   7.18 +/- 0.36   0.022% *  0.2440% (0.39   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   PHE   97  12.50 +/- 0.72   0.001% *  0.3123% (0.50   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   PHE   97  16.33 +/- 0.44   0.000% *  0.5922% (0.94   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   PHE   97  15.21 +/- 0.44   0.000% *  0.1175% (0.19   0.02   0.02) =   0.000%
    Distance limit 2.63 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 = 83.8:
    * O T QB    LEU   98 - HA    LEU   98   2.18 +/- 0.04  99.960% * 97.0778% (0.87   4.97  83.82) = 100.000%  kept
          HD3   LYS+ 121 - HA    LEU   98  11.32 +/- 0.94   0.006% *  0.4499% (1.00   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LEU   98   8.80 +/- 0.40   0.025% *  0.0890% (0.20   0.02   0.28) =   0.000%
          HB3   LEU   67 - HA    LEU   98  12.65 +/- 0.89   0.003% *  0.0890% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LEU   98  16.58 +/- 0.43   0.001% *  0.4489% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LEU   98  17.37 +/- 0.80   0.000% *  0.4342% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LEU   98  13.10 +/- 0.34   0.002% *  0.0694% (0.15   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LEU   98  16.57 +/- 0.42   0.001% *  0.2729% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LEU   98  14.56 +/- 0.51   0.001% *  0.1122% (0.25   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LEU   98  16.91 +/- 0.33   0.000% *  0.2367% (0.53   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LEU   98  17.80 +/- 0.76   0.000% *  0.2190% (0.49   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LEU   98  16.54 +/- 0.31   0.001% *  0.1389% (0.31   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LEU   98  22.20 +/- 2.15   0.000% *  0.2729% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LEU   98  20.18 +/- 0.50   0.000% *  0.0890% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 0.973, support = 4.47, residual support = 80.7:
    *   T QD1   LEU   98 - HA    LEU   98   2.78 +/- 0.44  82.986% * 83.1759% (1.00   4.53  83.82) =  96.069%  kept
          QD2   LEU  104 - HA    LEU   98   3.86 +/- 0.47  16.999% * 16.6137% (0.31   2.93   4.66) =   3.931%  kept
          QG2   ILE   19 - HA    LEU   98  12.96 +/- 0.27   0.011% *  0.1377% (0.38   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU   98  14.99 +/- 0.35   0.004% *  0.0726% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 83.8:
    *   T QD2   LEU   98 - HA    LEU   98   3.58 +/- 0.43  97.335% * 98.9368% (1.00   4.39  83.82) =  99.989%  kept
          QG2   VAL   41 - HA    LEU   98   6.84 +/- 0.40   2.444% *  0.4267% (0.95   0.02  15.02) =   0.011%
          QD2   LEU   63 - HA    LEU   98  10.44 +/- 0.80   0.204% *  0.1854% (0.41   0.02   0.02) =   0.000%
        T QD1   LEU   80 - HA    LEU   98  15.67 +/- 1.32   0.017% *  0.4511% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 83.8:
    * O T HA    LEU   98 - QB    LEU   98   2.18 +/- 0.04 100.000% *100.0000% (0.87   4.97  83.82) = 100.000%  kept
    Distance limit 3.20 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 = 3.56, residual support = 83.8:
    * O T QD1   LEU   98 - QB    LEU   98   2.19 +/- 0.20  98.948% * 99.5071% (0.87   3.56  83.82) =  99.998%  kept
          QD2   LEU  104 - QB    LEU   98   5.07 +/- 0.40   1.038% *  0.1725% (0.27   0.02   4.66) =   0.002%
        T QG2   ILE   19 - QB    LEU   98  10.39 +/- 0.30   0.010% *  0.2098% (0.33   0.02   0.02) =   0.000%
        T QD1   ILE   19 - QB    LEU   98  12.13 +/- 0.38   0.004% *  0.1106% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 83.8:
    * O T QD2   LEU   98 - QB    LEU   98   2.16 +/- 0.16  98.785% * 98.6481% (0.87   3.44  83.82) =  99.993%  kept
        T QG2   VAL   41 - QB    LEU   98   4.73 +/- 0.44   1.201% *  0.5426% (0.82   0.02  15.02) =   0.007%
          QD2   LEU   63 - QB    LEU   98  10.24 +/- 0.78   0.010% *  0.2358% (0.36   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QB    LEU   98  12.63 +/- 1.11   0.003% *  0.5735% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 4.53, residual support = 83.8:
    *   T HA    LEU   98 - QD1   LEU   98   2.78 +/- 0.44 100.000% *100.0000% (1.00   4.53  83.82) = 100.000%  kept
    Distance limit 3.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1151 (1.41, 0.71, 25.69 ppm):
    14 chemical-shift based assignments, quality = 0.867, support = 3.56, residual support = 83.8:
    * O T QB    LEU   98 - QD1   LEU   98   2.19 +/- 0.20  99.852% * 95.9639% (0.87   3.56  83.82) = 100.000%  kept
          HB    VAL   42 - QD1   LEU   98   7.66 +/- 0.83   0.094% *  0.1230% (0.20   0.02   0.28) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   98  11.15 +/- 1.14   0.010% *  0.6214% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   LEU   98  11.92 +/- 0.78   0.005% *  0.5997% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   LEU   98  12.61 +/- 0.64   0.003% *  0.6201% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   98   9.81 +/- 0.46   0.015% *  0.0959% (0.15   0.02   0.02) =   0.000%
        T HG    LEU   80 - QD1   LEU   98  12.50 +/- 0.83   0.004% *  0.3025% (0.49   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   98  13.08 +/- 0.81   0.003% *  0.3270% (0.53   0.02   0.02) =   0.000%
        T HG12  ILE   19 - QD1   LEU   98  13.41 +/- 0.52   0.002% *  0.3769% (0.61   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   98  11.86 +/- 0.97   0.006% *  0.1230% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   98  12.44 +/- 0.37   0.003% *  0.1550% (0.25   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   98  13.65 +/- 0.75   0.002% *  0.1918% (0.31   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   98  18.65 +/- 1.89   0.000% *  0.3769% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   98  17.24 +/- 0.87   0.001% *  0.1230% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 3.04, residual support = 83.8:
    * O T QD2   LEU   98 - QD1   LEU   98   2.01 +/- 0.06  99.669% * 98.4721% (1.00   3.04  83.82) =  99.998%  kept
          QG2   VAL   41 - QD1   LEU   98   5.45 +/- 0.50   0.316% *  0.6132% (0.95   0.02  15.02) =   0.002%
          QD2   LEU   63 - QD1   LEU   98   9.44 +/- 0.95   0.011% *  0.2665% (0.41   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD1   LEU   98  11.06 +/- 1.14   0.004% *  0.6482% (1.00   0.02   0.02) =   0.000%
    Distance limit 2.43 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 = 83.8:
    *   T HA    LEU   98 - QD2   LEU   98   3.58 +/- 0.43  99.982% * 99.7393% (1.00   4.39  83.82) = 100.000%  kept
        T HA    LEU   98 - QD1   LEU   80  15.67 +/- 1.32   0.018% *  0.2607% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.48 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 = 0.647, support = 4.13, residual support = 81.9:
    * O T QB    LEU   98 - QD2   LEU   98   2.16 +/- 0.16  40.871% * 40.6116% (0.87   3.44  83.82) =  55.212%  kept
      O   HG    LEU   80 - QD1   LEU   80   2.10 +/- 0.01  46.403% * 18.7996% (0.28   4.95  79.55) =  29.017%  kept
      O T HB2   LEU   80 - QD1   LEU   80   2.67 +/- 0.25  12.510% * 37.8987% (0.55   5.03  79.55) =  15.771%  kept
          HB    VAL   42 - QD2   LEU   98   5.78 +/- 0.64   0.131% *  0.0539% (0.20   0.02   0.28) =   0.000%
          HB3   LYS+  74 - QD1   LEU   80   8.76 +/- 1.18   0.014% *  0.1557% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD2   LEU   98   7.71 +/- 0.57   0.021% *  0.0420% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD2   LEU   98  10.77 +/- 0.64   0.003% *  0.2716% (1.00   0.02   0.02) =   0.000%
        T HB2   LEU   80 - QD2   LEU   98  11.25 +/- 0.90   0.002% *  0.2627% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD1   LEU   80   8.22 +/- 1.18   0.022% *  0.0241% (0.09   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   98  11.61 +/- 1.01   0.002% *  0.2722% (1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   98  11.06 +/- 0.66   0.002% *  0.1651% (0.61   0.02   0.02) =   0.000%
          HG    LEU   80 - QD2   LEU   98  11.48 +/- 0.90   0.002% *  0.1325% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   98  10.26 +/- 0.68   0.004% *  0.0679% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD2   LEU   98  10.02 +/- 0.77   0.005% *  0.0539% (0.20   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   LEU   80  11.38 +/- 0.91   0.002% *  0.0946% (0.35   0.02   0.02) =   0.000%
        T QB    LEU   98 - QD1   LEU   80  12.63 +/- 1.11   0.001% *  0.1353% (0.50   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   98  12.95 +/- 0.68   0.001% *  0.1432% (0.53   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   98  12.34 +/- 0.59   0.001% *  0.0840% (0.31   0.02   0.02) =   0.000%
          QB    ALA   12 - QD1   LEU   80  16.46 +/- 2.49   0.001% *  0.0946% (0.35   0.02   0.02) =   0.000%
          QB    ALA  110 - QD1   LEU   80  13.84 +/- 1.00   0.001% *  0.0821% (0.30   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   98  16.70 +/- 1.85   0.000% *  0.1651% (0.61   0.02   0.02) =   0.000%
          QB    ALA   61 - QD1   LEU   80  14.04 +/- 0.94   0.001% *  0.0482% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD1   LEU   80  14.27 +/- 1.44   0.001% *  0.0389% (0.14   0.02   0.02) =   0.000%
          HB    VAL   42 - QD1   LEU   80  13.76 +/- 1.25   0.001% *  0.0309% (0.11   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   98  15.38 +/- 0.75   0.000% *  0.0539% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD1   LEU   80  22.39 +/- 1.40   0.000% *  0.1560% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   LEU   80  18.01 +/- 1.43   0.000% *  0.0309% (0.11   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD1   LEU   80  18.80 +/- 1.02   0.000% *  0.0309% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 3.04, residual support = 83.8:
    * O T QD1   LEU   98 - QD2   LEU   98   2.01 +/- 0.06  99.704% * 98.7259% (1.00   3.04  83.82) =  99.999%  kept
        T QD2   LEU  104 - QD2   LEU   98   6.09 +/- 0.56   0.182% *  0.2006% (0.31   0.02   4.66) =   0.000%
          QG2   ILE   19 - QD1   LEU   80   7.32 +/- 0.83   0.058% *  0.1398% (0.22   0.02   0.02) =   0.000%
          QG2   ILE   19 - QD2   LEU   98   8.20 +/- 0.55   0.023% *  0.2439% (0.38   0.02   0.02) =   0.000%
        T QD1   LEU   98 - QD1   LEU   80  11.06 +/- 1.14   0.004% *  0.3725% (0.57   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   80   8.39 +/- 0.68   0.022% *  0.0737% (0.11   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD2   LEU   98   9.98 +/- 0.55   0.007% *  0.1286% (0.20   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   80  16.30 +/- 1.24   0.000% *  0.1150% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1157 (0.55, 0.55, 25.87 ppm):
    2 diagonal assignments:
    *     QD2   LEU   98 - QD2   LEU   98  (1.00)  kept
          QD1   LEU   80 - QD1   LEU   80  (0.57)  kept
 
    Peak 1158 (4.38, 4.38, 58.15 ppm):
    1 diagonal assignment:
    *     HA    LYS+  99 - HA    LYS+  99  (1.00)  kept
 
    Peak 1160 (1.24, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 171.6:
    * O T HG3   LYS+  99 - HA    LYS+  99   3.00 +/- 0.48  97.942% * 98.2978% (1.00   6.44 171.63) =  99.996%  kept
          QG2   THR   39 - HA    LYS+  99   6.21 +/- 0.39   1.732% *  0.1974% (0.65   0.02   0.02) =   0.004%
        T HG3   LYS+  38 - HA    LYS+  99   8.65 +/- 0.82   0.245% *  0.1145% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+  99  10.89 +/- 0.61   0.061% *  0.3024% (0.99   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+  99  16.78 +/- 0.54   0.004% *  0.2886% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HA    LYS+  99  17.43 +/- 1.18   0.004% *  0.3044% (1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HA    LYS+  99  15.95 +/- 0.25   0.006% *  0.1254% (0.41   0.02   0.02) =   0.000%
          QG2   ILE   56 - HA    LYS+  99  16.45 +/- 0.25   0.005% *  0.0679% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HA    LYS+  99  19.77 +/- 0.96   0.002% *  0.1974% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HA    LYS+  99  23.38 +/- 0.62   0.001% *  0.1041% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1161 (1.70, 4.38, 58.15 ppm):
    10 chemical-shift based assignments, quality = 0.541, support = 5.84, residual support = 171.6:
      O T HB3   LYS+  99 - HA    LYS+  99   2.64 +/- 0.25  89.406% * 28.8985% (0.41   5.85 171.63) =  77.988%  kept
    *   T QD    LYS+  99 - HA    LYS+  99   3.85 +/- 0.13  10.431% * 69.9129% (1.00   5.82 171.63) =  22.012%  kept
          QD    LYS+ 102 - HA    LYS+  99   8.34 +/- 0.78   0.127% *  0.0535% (0.22   0.02   1.21) =   0.000%
        T QD    LYS+ 106 - HA    LYS+  99  10.83 +/- 0.64   0.024% *  0.2399% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+  99  12.31 +/- 0.48   0.010% *  0.2219% (0.92   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HA    LYS+  99  17.06 +/- 0.24   0.001% *  0.1265% (0.53   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  99  16.92 +/- 0.87   0.002% *  0.0988% (0.41   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+  99  22.29 +/- 0.35   0.000% *  0.1925% (0.80   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+  99  24.17 +/- 0.81   0.000% *  0.1651% (0.69   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  99  22.38 +/- 0.30   0.000% *  0.0902% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 171.6:
    * O T HG2   LYS+  99 - HA    LYS+  99   2.55 +/- 0.36  99.122% * 98.2876% (1.00   7.08 171.63) =  99.999%  kept
          HG    LEU   98 - HA    LYS+  99   6.45 +/- 0.67   0.741% *  0.0618% (0.22   0.02  15.78) =   0.000%
        T HG2   LYS+  38 - HA    LYS+  99   8.56 +/- 0.52   0.100% *  0.2722% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+  99  11.87 +/- 0.79   0.015% *  0.2319% (0.84   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+  99  14.30 +/- 0.66   0.004% *  0.2016% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+  99  14.12 +/- 0.57   0.004% *  0.1572% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+  99  14.36 +/- 0.68   0.004% *  0.1245% (0.45   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+  99  14.97 +/- 0.97   0.004% *  0.0857% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+  99  19.31 +/- 0.96   0.001% *  0.1907% (0.69   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+  99  17.03 +/- 0.30   0.001% *  0.0947% (0.34   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+  99  16.10 +/- 0.32   0.002% *  0.0428% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    LYS+  99  22.76 +/- 0.34   0.000% *  0.2490% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 5.34, residual support = 171.6:
    *   T QE    LYS+  99 - HA    LYS+  99   3.94 +/- 0.18  97.105% * 99.0939% (1.00   5.34 171.63) =  99.993%  kept
        T QE    LYS+ 102 - HA    LYS+  99   8.51 +/- 0.35   1.025% *  0.2547% (0.69   0.02   1.21) =   0.003%
        T QE    LYS+  38 - HA    LYS+  99   9.30 +/- 0.41   0.595% *  0.3326% (0.90   0.02   0.02) =   0.002%
          HB2   PHE   97 - HA    LYS+  99   8.19 +/- 0.13   1.250% *  0.1525% (0.41   0.02   0.02) =   0.002%
          HB3   TRP   27 - HA    LYS+  99  15.83 +/- 0.62   0.025% *  0.1663% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1164 (4.38, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.0, residual support = 171.6:
    * O T HA    LYS+  99 - HB2   LYS+  99   2.88 +/- 0.22  89.506% * 98.7202% (1.00   7.00 171.63) =  99.992%  kept
          HA    LEU   40 - HB2   LYS+  99   4.38 +/- 0.78  10.427% *  0.0703% (0.25   0.02  12.71) =   0.008%
          HA    ASN   35 - HB2   LYS+  99  10.19 +/- 0.67   0.053% *  0.2722% (0.97   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   LYS+  99  13.99 +/- 0.87   0.008% *  0.2447% (0.87   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LYS+  99  20.63 +/- 0.67   0.001% *  0.2668% (0.95   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   LYS+  99  21.62 +/- 0.61   0.001% *  0.2356% (0.84   0.02   0.02) =   0.000%
          HA    PHE   59 - HB2   LYS+  99  17.65 +/- 0.63   0.002% *  0.0703% (0.25   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LYS+  99  17.85 +/- 1.41   0.002% *  0.0382% (0.14   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LYS+  99  21.23 +/- 0.66   0.001% *  0.0435% (0.15   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LYS+  99  23.46 +/- 1.95   0.000% *  0.0382% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1165 (1.77, 1.77, 37.34 ppm):
    1 diagonal assignment:
    *     HB2   LYS+  99 - HB2   LYS+  99  (1.00)  kept
 
    Peak 1166 (1.24, 1.77, 37.34 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 171.6:
    * O T HG3   LYS+  99 - HB2   LYS+  99   2.43 +/- 0.11  99.808% * 98.2977% (1.00   6.44 171.63) = 100.000%  kept
          QG2   THR   39 - HB2   LYS+  99   7.41 +/- 0.57   0.166% *  0.1974% (0.65   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - HB2   LYS+  99  10.62 +/- 0.87   0.018% *  0.1145% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - HB2   LYS+  99  12.99 +/- 0.83   0.005% *  0.3024% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  74 - HB2   LYS+  99  18.67 +/- 1.19   0.001% *  0.3045% (1.00   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB2   LYS+  99  18.77 +/- 0.79   0.001% *  0.2886% (0.95   0.02   0.02) =   0.000%
        T HG12  ILE   89 - HB2   LYS+  99  16.64 +/- 0.45   0.001% *  0.1254% (0.41   0.02   0.02) =   0.000%
          QG2   ILE   56 - HB2   LYS+  99  16.47 +/- 0.69   0.001% *  0.0679% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - HB2   LYS+  99  19.90 +/- 1.16   0.000% *  0.1974% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+  99  22.49 +/- 0.73   0.000% *  0.1041% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 0.571, support = 4.95, residual support = 171.6:
      O   HB3   LYS+  99 - HB2   LYS+  99   1.75 +/- 0.00  88.838% * 24.8919% (0.41   4.67 171.63) =  72.897%  kept
    * O   QD    LYS+  99 - HB2   LYS+  99   2.54 +/- 0.23  11.137% * 73.8262% (1.00   5.69 171.63) =  27.103%  kept
          QD    LYS+ 102 - HB2   LYS+  99   7.53 +/- 0.95   0.021% *  0.0577% (0.22   0.02   1.21) =   0.000%
          QD    LYS+ 106 - HB2   LYS+  99   9.88 +/- 0.50   0.003% *  0.2587% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+  99  14.16 +/- 0.68   0.000% *  0.2394% (0.92   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+  99  15.22 +/- 0.89   0.000% *  0.1066% (0.41   0.02   0.02) =   0.000%
          QG1   ILE   56 - HB2   LYS+  99  16.75 +/- 0.59   0.000% *  0.1364% (0.53   0.02   0.02) =   0.000%
          HB3   MET   92 - HB2   LYS+  99  22.27 +/- 0.74   0.000% *  0.2076% (0.80   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HB2   LYS+  99  23.06 +/- 0.81   0.000% *  0.1781% (0.69   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+  99  22.43 +/- 0.58   0.000% *  0.0973% (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 = 171.6:
    * O   HG2   LYS+  99 - HB2   LYS+  99   3.03 +/- 0.02  99.269% * 98.2876% (1.00   7.08 171.63) =  99.999%  kept
          HG    LEU   98 - HB2   LYS+  99   7.51 +/- 0.72   0.617% *  0.0618% (0.22   0.02  15.78) =   0.000%
          HG2   LYS+  38 - HB2   LYS+  99  10.64 +/- 0.59   0.057% *  0.2722% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+  99  14.49 +/- 0.86   0.009% *  0.2319% (0.84   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+  99  14.48 +/- 0.68   0.009% *  0.2016% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+  99  14.06 +/- 0.67   0.010% *  0.1572% (0.57   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+  99  13.52 +/- 0.92   0.014% *  0.0857% (0.31   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+  99  14.98 +/- 1.03   0.008% *  0.1245% (0.45   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+  99  17.73 +/- 0.49   0.003% *  0.0947% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB2   LYS+  99  21.77 +/- 0.58   0.001% *  0.2490% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+  99  21.05 +/- 1.17   0.001% *  0.1907% (0.69   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+  99  17.08 +/- 0.49   0.003% *  0.0428% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 5.11, residual support = 171.6:
    *     QE    LYS+  99 - HB2   LYS+  99   3.97 +/- 0.30  95.031% * 99.0520% (1.00   5.11 171.63) =  99.989%  kept
          QE    LYS+ 102 - HB2   LYS+  99   7.98 +/- 0.72   2.047% *  0.2665% (0.69   0.02   1.21) =   0.006%
          HB2   PHE   97 - HB2   LYS+  99   7.25 +/- 0.53   2.634% *  0.1595% (0.41   0.02   0.02) =   0.004%
          QE    LYS+  38 - HB2   LYS+  99  10.81 +/- 0.62   0.278% *  0.3480% (0.90   0.02   0.02) =   0.001%
          HB3   TRP   27 - HB2   LYS+  99  17.99 +/- 0.82   0.011% *  0.1740% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1170 (4.38, 1.24, 26.01 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 6.44, residual support = 171.6:
    * O T HA    LYS+  99 - HG3   LYS+  99   3.00 +/- 0.48  77.233% * 97.7662% (1.00   6.44 171.63) =  99.980%  kept
          HA    LEU   40 - HG3   LYS+  99   4.15 +/- 1.09  17.751% *  0.0757% (0.25   0.02  12.71) =   0.018%
          HA    ASN   35 - HG3   LYS+  38   5.27 +/- 0.71   4.491% *  0.0306% (0.10   0.02   0.02) =   0.002%
          HA    ASN   35 - HG3   LYS+  99   9.27 +/- 0.92   0.125% *  0.2929% (0.97   0.02   0.02) =   0.000%
        T HA    LYS+  99 - HG3   LYS+  38   8.65 +/- 0.82   0.202% *  0.0317% (0.10   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  99  14.47 +/- 0.91   0.009% *  0.2632% (0.87   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   LYS+  38   9.01 +/- 0.53   0.152% *  0.0079% (0.03   0.02   0.02) =   0.000%
        T HA    LYS+  99 - HG12  ILE   89  15.95 +/- 0.25   0.005% *  0.1231% (0.41   0.02   0.02) =   0.000%
          HA    ILE   56 - HG12  ILE   89  15.96 +/- 0.20   0.005% *  0.1164% (0.38   0.02   0.02) =   0.000%
          HA    ASN   35 - HG12  ILE   89  17.84 +/- 0.30   0.002% *  0.1188% (0.39   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  99  22.24 +/- 0.64   0.001% *  0.2871% (0.95   0.02   0.02) =   0.000%
          HA    LEU   40 - HG12  ILE   89  16.18 +/- 0.37   0.004% *  0.0307% (0.10   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG12  ILE   89  20.12 +/- 0.48   0.001% *  0.1028% (0.34   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  99  18.96 +/- 0.66   0.002% *  0.0757% (0.25   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  99  23.53 +/- 0.58   0.000% *  0.2535% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  99  17.22 +/- 1.70   0.003% *  0.0411% (0.14   0.02   0.02) =   0.000%
          HA    PHE   59 - HG12  ILE   89  17.57 +/- 0.30   0.003% *  0.0307% (0.10   0.02   0.02) =   0.000%
          HA    LEU  123 - HG12  ILE   89  23.69 +/- 0.56   0.000% *  0.1068% (0.35   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  99  22.29 +/- 0.71   0.001% *  0.0468% (0.15   0.02   0.02) =   0.000%
          HA    PRO   58 - HG12  ILE   89  19.61 +/- 0.29   0.001% *  0.0190% (0.06   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  99  22.53 +/- 2.25   0.001% *  0.0411% (0.14   0.02   0.02) =   0.000%
          HA    LEU  123 - HG3   LYS+  38  21.56 +/- 1.14   0.001% *  0.0275% (0.09   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   LYS+  38  16.89 +/- 1.51   0.004% *  0.0043% (0.01   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG12  ILE   89  22.05 +/- 1.15   0.001% *  0.0167% (0.05   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   LYS+  38  20.18 +/- 2.68   0.002% *  0.0043% (0.01   0.02   0.02) =   0.000%
        T HA    ILE   56 - HG3   LYS+  38  28.37 +/- 0.54   0.000% *  0.0300% (0.10   0.02   0.02) =   0.000%
          HA    SER   13 - HG12  ILE   89  27.13 +/- 2.42   0.000% *  0.0167% (0.05   0.02   0.02) =   0.000%
          HA    PHE   59 - HG3   LYS+  38  25.28 +/- 0.60   0.000% *  0.0079% (0.03   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG3   LYS+  38  31.44 +/- 0.87   0.000% *  0.0265% (0.09   0.02   0.02) =   0.000%
          HA    PRO   58 - HG3   LYS+  38  27.59 +/- 0.46   0.000% *  0.0049% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.911, support = 4.63, residual support = 175.4:
    * O T QE    LYS+  99 - HG3   LYS+  99   2.68 +/- 0.42  44.012% * 90.6386% (1.00   4.67 171.63) =  90.196%  kept
      O T QE    LYS+  38 - HG3   LYS+  38   2.57 +/- 0.31  55.818% *  7.7678% (0.09   4.28 209.68) =   9.803%  kept
        T QE    LYS+  38 - HG3   LYS+  99   9.12 +/- 0.73   0.026% *  0.3481% (0.90   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  99   9.04 +/- 0.77   0.033% *  0.2666% (0.69   0.02   1.21) =   0.000%
          HB2   PHE   97 - HG3   LYS+  99   9.44 +/- 0.39   0.019% *  0.1596% (0.41   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  38   8.21 +/- 0.87   0.072% *  0.0405% (0.10   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG12  ILE   89  11.32 +/- 0.40   0.007% *  0.0706% (0.18   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG12  ILE   89  11.69 +/- 0.25   0.006% *  0.0647% (0.17   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG12  ILE   89  14.31 +/- 0.64   0.002% *  0.1081% (0.28   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  38  12.67 +/- 1.22   0.004% *  0.0278% (0.07   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG12  ILE   89  17.25 +/- 0.36   0.001% *  0.1574% (0.41   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  99  18.60 +/- 1.03   0.000% *  0.1740% (0.45   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG12  ILE   89  21.40 +/- 0.71   0.000% *  0.1412% (0.36   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG3   LYS+  38  16.72 +/- 0.79   0.001% *  0.0167% (0.04   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG3   LYS+  38  18.50 +/- 0.54   0.000% *  0.0182% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.981, support = 5.69, residual support = 167.6:
    *   T HA    LYS+  99 - QD    LYS+  99   3.85 +/- 0.13  54.365% * 94.2020% (1.00   5.82 171.63) =  97.458%  kept
          HA    LEU   40 - QD    LYS+  99   4.03 +/- 0.57  44.997% *  2.9647% (0.25   0.73  12.71) =   2.539%  kept
          HA    ASN   35 - QD    LYS+  99   9.97 +/- 0.66   0.176% *  0.3126% (0.97   0.02   0.02) =   0.001%
        T HA    LEU  123 - QD    LYS+  99  10.88 +/- 0.86   0.128% *  0.2810% (0.87   0.02   0.02) =   0.001%
        T HA    LYS+  99 - QD    LYS+ 106  10.83 +/- 0.64   0.122% *  0.2608% (0.81   0.02   0.02) =   0.001%
          HA    ASP- 113 - QD    LYS+ 106  14.13 +/- 1.23   0.026% *  0.2178% (0.67   0.02   0.02) =   0.000%
          HA    LEU   40 - QD    LYS+ 106  11.77 +/- 0.77   0.073% *  0.0650% (0.20   0.02   0.02) =   0.000%
        T HA    ILE   56 - QD    LYS+ 106  14.77 +/- 0.56   0.017% *  0.2467% (0.76   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    LYS+ 106  15.70 +/- 1.15   0.014% *  0.2517% (0.78   0.02   0.02) =   0.000%
        T HA    LEU  123 - QD    LYS+ 106  15.94 +/- 1.01   0.011% *  0.2262% (0.70   0.02   0.02) =   0.000%
        T HA    ILE   56 - QD    LYS+  99  18.54 +/- 0.33   0.004% *  0.3064% (0.95   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+ 106  14.47 +/- 0.73   0.020% *  0.0650% (0.20   0.02   0.02) =   0.000%
          HA    PHE   59 - QD    LYS+  99  15.39 +/- 0.48   0.014% *  0.0808% (0.25   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD    LYS+  99  19.36 +/- 0.58   0.004% *  0.2706% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+  99  15.26 +/- 1.22   0.014% *  0.0438% (0.14   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+  99  18.53 +/- 0.46   0.004% *  0.0500% (0.15   0.02   0.02) =   0.000%
          HA    PRO   58 - QD    LYS+ 106  18.03 +/- 0.65   0.005% *  0.0402% (0.12   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+  99  20.25 +/- 1.66   0.003% *  0.0438% (0.14   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD    LYS+ 106  21.20 +/- 1.00   0.002% *  0.0353% (0.11   0.02   0.02) =   0.000%
          HA    SER   13 - QD    LYS+ 106  26.51 +/- 2.15   0.001% *  0.0353% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 171.6:
    * O   HG2   LYS+  99 - QD    LYS+  99   2.46 +/- 0.14  99.094% * 96.0898% (1.00   5.87 171.63) =  99.999%  kept
          QB    ALA   88 - QD    LYS+ 106   6.60 +/- 1.24   0.487% *  0.1915% (0.58   0.02   0.02) =   0.001%
          HG    LEU   98 - QD    LYS+ 106   7.48 +/- 1.37   0.216% *  0.0587% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+  99   9.63 +/- 0.69   0.033% *  0.3211% (0.98   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  99   8.60 +/- 0.62   0.069% *  0.0729% (0.22   0.02  15.78) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+ 106  11.63 +/- 0.71   0.011% *  0.2365% (0.72   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  99  10.47 +/- 0.90   0.020% *  0.1011% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    LYS+ 106  12.18 +/- 0.51   0.007% *  0.2638% (0.81   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  99  12.08 +/- 0.47   0.008% *  0.1855% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 106  11.85 +/- 0.99   0.009% *  0.1182% (0.36   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 106  11.51 +/- 0.97   0.011% *  0.0900% (0.27   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  99  14.18 +/- 0.67   0.003% *  0.2736% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 106  13.39 +/- 0.63   0.004% *  0.1493% (0.46   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  99  14.60 +/- 0.70   0.003% *  0.2379% (0.73   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 106  11.21 +/- 1.22   0.013% *  0.0407% (0.12   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  99  13.86 +/- 0.64   0.003% *  0.1469% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 106  16.02 +/- 1.46   0.002% *  0.2203% (0.67   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 106  16.21 +/- 1.71   0.001% *  0.1812% (0.55   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    LYS+ 106  17.86 +/- 1.05   0.001% *  0.2585% (0.79   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 106  15.69 +/- 0.76   0.002% *  0.0814% (0.25   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  99  16.90 +/- 0.36   0.001% *  0.1117% (0.34   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  99  20.27 +/- 0.51   0.000% *  0.2938% (0.90   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  99  20.28 +/- 0.88   0.000% *  0.2250% (0.69   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  99  16.62 +/- 0.34   0.001% *  0.0505% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1180 (1.24, 1.70, 30.22 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 5.27, residual support = 171.6:
    * O T HG3   LYS+  99 - QD    LYS+  99   2.31 +/- 0.14  99.299% * 96.0396% (1.00   5.27 171.63) =  99.998%  kept
          QG2   THR   39 - QD    LYS+  99   5.66 +/- 0.45   0.538% *  0.2356% (0.65   0.02   0.02) =   0.001%
        T HG12  ILE   89 - QD    LYS+ 106   9.00 +/- 1.63   0.087% *  0.1205% (0.33   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+  99   9.49 +/- 0.83   0.026% *  0.1367% (0.38   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  99  11.34 +/- 0.70   0.008% *  0.3609% (0.99   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+ 106  11.19 +/- 1.47   0.013% *  0.1897% (0.52   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+ 106  11.95 +/- 0.53   0.006% *  0.2932% (0.81   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+ 106  11.28 +/- 0.59   0.009% *  0.0653% (0.18   0.02   0.02) =   0.000%
          QG2   THR   39 - QD    LYS+ 106  13.59 +/- 0.63   0.003% *  0.1897% (0.52   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 106  12.63 +/- 1.08   0.005% *  0.1000% (0.27   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 106  15.54 +/- 1.04   0.001% *  0.2925% (0.80   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  99  16.72 +/- 0.58   0.001% *  0.3445% (0.95   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  99  17.22 +/- 1.26   0.001% *  0.3633% (1.00   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 106  17.22 +/- 0.96   0.001% *  0.2906% (0.80   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QD    LYS+  99  16.64 +/- 0.31   0.001% *  0.1497% (0.41   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QD    LYS+  99  15.08 +/- 0.30   0.001% *  0.0811% (0.22   0.02   0.02) =   0.000%
          QB    ALA   91 - QD    LYS+  99  19.01 +/- 0.87   0.000% *  0.2356% (0.65   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 106  20.02 +/- 0.98   0.000% *  0.2773% (0.76   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QD    LYS+ 106  18.00 +/- 1.17   0.001% *  0.1100% (0.30   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  99  20.84 +/- 0.71   0.000% *  0.1242% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.69 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 = 4.35, residual support = 171.6:
    * O T QE    LYS+  99 - QD    LYS+  99   2.10 +/- 0.03  99.541% * 97.6598% (1.00   4.35 171.63) =  99.999%  kept
          HB2   PHE   97 - QD    LYS+ 106   5.55 +/- 0.43   0.333% *  0.1485% (0.33   0.02  12.38) =   0.001%
        T QE    LYS+ 102 - QD    LYS+ 106   8.14 +/- 0.91   0.040% *  0.2482% (0.55   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    LYS+  99   7.48 +/- 0.26   0.050% *  0.1845% (0.41   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  99   8.96 +/- 0.77   0.019% *  0.3082% (0.69   0.02   1.21) =   0.000%
        T QE    LYS+  38 - QD    LYS+  99   9.63 +/- 0.82   0.013% *  0.4024% (0.90   0.02   0.02) =   0.000%
        T QE    LYS+  99 - QD    LYS+ 106  11.77 +/- 0.51   0.003% *  0.3613% (0.81   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 106  17.21 +/- 0.86   0.000% *  0.3240% (0.72   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  16.28 +/- 1.50   0.001% *  0.1620% (0.36   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  17.23 +/- 0.51   0.000% *  0.2012% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 0.859, support = 4.69, residual support = 141.9:
    *   T HA    LYS+  99 - QE    LYS+  99   3.94 +/- 0.18  26.603% * 89.0175% (1.00   5.34 171.63) =  81.277%  kept
          HA    LEU   40 - QE    LYS+  99   3.28 +/- 0.45  69.908% *  7.7981% (0.25   1.88  12.71) =  18.710%  kept
          HA    ASN   35 - QE    LYS+  38   6.14 +/- 0.74   2.569% *  0.0867% (0.26   0.02   0.02) =   0.008%
        T HA    LYS+  99 - QE    LYS+ 102   8.51 +/- 0.35   0.263% *  0.2272% (0.68   0.02   1.21) =   0.002%
          HA    ASN   35 - QE    LYS+  99   8.91 +/- 0.71   0.171% *  0.3215% (0.97   0.02   0.02) =   0.002%
          HA    LEU  123 - QE    LYS+  99  11.05 +/- 0.82   0.068% *  0.2890% (0.87   0.02   0.02) =   0.001%
        T HA    LYS+  99 - QE    LYS+  38   9.30 +/- 0.41   0.147% *  0.0899% (0.27   0.02   0.02) =   0.000%
          HA    ASN   35 - QE    LYS+ 102  11.62 +/- 0.92   0.043% *  0.2193% (0.66   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+ 102  10.69 +/- 0.58   0.071% *  0.0567% (0.17   0.02   0.02) =   0.000%
          HA    LEU   40 - QE    LYS+  38   9.82 +/- 0.33   0.109% *  0.0224% (0.07   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  99  13.51 +/- 1.23   0.016% *  0.0451% (0.14   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  99  18.84 +/- 0.52   0.002% *  0.3151% (0.95   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  99  15.50 +/- 0.63   0.008% *  0.0831% (0.25   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+ 102  19.29 +/- 1.06   0.002% *  0.1971% (0.59   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  99  20.41 +/- 0.76   0.001% *  0.2783% (0.84   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+ 102  22.41 +/- 1.10   0.001% *  0.1898% (0.57   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+ 102  22.61 +/- 0.67   0.001% *  0.2149% (0.65   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  99  18.28 +/- 0.56   0.003% *  0.0514% (0.15   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  99  18.39 +/- 1.68   0.003% *  0.0451% (0.14   0.02   0.02) =   0.000%
          HA    LEU  123 - QE    LYS+  38  20.65 +/- 1.15   0.001% *  0.0780% (0.23   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+ 102  21.20 +/- 0.68   0.001% *  0.0567% (0.17   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+  38  16.71 +/- 1.55   0.005% *  0.0122% (0.04   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+  38  19.26 +/- 2.59   0.002% *  0.0122% (0.04   0.02   0.02) =   0.000%
          HA    GLU-  15 - QE    LYS+ 102  22.34 +/- 1.25   0.001% *  0.0307% (0.09   0.02   0.02) =   0.000%
          HA    ILE   56 - QE    LYS+  38  27.13 +/- 0.25   0.000% *  0.0850% (0.26   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+ 102  24.59 +/- 0.61   0.000% *  0.0351% (0.11   0.02   0.02) =   0.000%
          HA    ASP- 113 - QE    LYS+  38  29.63 +/- 0.55   0.000% *  0.0751% (0.23   0.02   0.02) =   0.000%
          HA    PHE   59 - QE    LYS+  38  24.35 +/- 0.60   0.000% *  0.0224% (0.07   0.02   0.02) =   0.000%
          HA    SER   13 - QE    LYS+ 102  26.90 +/- 2.23   0.000% *  0.0307% (0.09   0.02   0.02) =   0.000%
          HA    PRO   58 - QE    LYS+  38  26.46 +/- 0.58   0.000% *  0.0139% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 0.486, support = 4.47, residual support = 171.6:
      O T QD    LYS+  99 - QE    LYS+  99   2.10 +/- 0.03  95.244% * 24.8100% (0.41   4.35 171.63) =  87.366%  kept
          HB3   LYS+  99 - QE    LYS+  99   3.62 +/- 0.41   4.646% * 73.5500% (1.00   5.31 171.63) =  12.633%  kept
          HB3   LYS+  99 - QE    LYS+ 102   8.44 +/- 0.95   0.029% *  0.1891% (0.68   0.02   1.21) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102   8.14 +/- 0.91   0.038% *  0.0710% (0.26   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+ 102   8.96 +/- 0.77   0.018% *  0.0777% (0.28   0.02   1.21) =   0.000%
          HB3   LYS+  99 - QE    LYS+  38  10.82 +/- 0.63   0.005% *  0.0748% (0.27   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+  38   9.63 +/- 0.82   0.012% *  0.0308% (0.11   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  11.77 +/- 0.51   0.003% *  0.1041% (0.38   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  99  15.70 +/- 0.45   0.001% *  0.2718% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  12.76 +/- 0.49   0.002% *  0.0617% (0.22   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+ 102  16.53 +/- 0.64   0.000% *  0.1445% (0.52   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 102  18.17 +/- 0.60   0.000% *  0.1854% (0.67   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  99  18.72 +/- 0.46   0.000% *  0.2119% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  16.43 +/- 0.53   0.000% *  0.0421% (0.15   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.21 +/- 0.86   0.000% *  0.0281% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  16.50 +/- 0.29   0.000% *  0.0167% (0.06   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+  38  22.93 +/- 0.32   0.000% *  0.0733% (0.26   0.02   0.02) =   0.000%
          HB    ILE   89 - QE    LYS+  38  22.83 +/- 0.72   0.000% *  0.0572% (0.21   0.02   0.02) =   0.000%
    Distance limit 2.57 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 = 0.906, support = 4.63, residual support = 175.6:
    * O T HG3   LYS+  99 - QE    LYS+  99   2.68 +/- 0.42  42.253% * 87.4893% (1.00   4.67 171.63) =  89.543%  kept
      O T HG3   LYS+  38 - QE    LYS+  38   2.57 +/- 0.31  53.080% *  8.1122% (0.10   4.28 209.68) =  10.430%  kept
          QG2   THR   39 - QE    LYS+  99   3.90 +/- 0.44   4.452% *  0.2424% (0.65   0.02   0.02) =   0.026%
        T HG3   LYS+  38 - QE    LYS+  99   8.21 +/- 0.87   0.067% *  0.1406% (0.38   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QE    LYS+ 102   9.04 +/- 0.77   0.031% *  0.2555% (0.68   0.02   1.21) =   0.000%
          HG    LEU   71 - QE    LYS+  99   9.71 +/- 0.71   0.018% *  0.3714% (0.99   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+  38   7.95 +/- 0.51   0.055% *  0.0654% (0.17   0.02  15.59) =   0.000%
        T HG3   LYS+  99 - QE    LYS+  38   9.12 +/- 0.73   0.025% *  0.1011% (0.27   0.02   0.02) =   0.000%
          QG2   THR   39 - QE    LYS+ 102  12.55 +/- 0.60   0.003% *  0.1653% (0.44   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  99  15.32 +/- 0.54   0.001% *  0.3544% (0.95   0.02   0.02) =   0.000%
        T HG3   LYS+  38 - QE    LYS+ 102  12.67 +/- 1.22   0.004% *  0.0959% (0.26   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+  38  12.71 +/- 0.68   0.003% *  0.1002% (0.27   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  99  16.78 +/- 1.19   0.001% *  0.3739% (1.00   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+ 102  14.31 +/- 0.64   0.002% *  0.1051% (0.28   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 102  17.46 +/- 0.57   0.000% *  0.2533% (0.68   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+ 102  17.44 +/- 0.99   0.001% *  0.1653% (0.44   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  99  15.30 +/- 0.45   0.001% *  0.0834% (0.22   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  99  17.25 +/- 0.36   0.001% *  0.1540% (0.41   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  99  19.65 +/- 0.83   0.000% *  0.2424% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+ 102  20.55 +/- 0.83   0.000% *  0.2550% (0.68   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+  38  18.21 +/- 0.54   0.000% *  0.0956% (0.26   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 102  22.00 +/- 0.56   0.000% *  0.2417% (0.65   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+ 102  17.71 +/- 0.55   0.000% *  0.0569% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  99  21.85 +/- 0.73   0.000% *  0.1278% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+  74 - QE    LYS+  38  21.92 +/- 0.64   0.000% *  0.1009% (0.27   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+ 102  21.68 +/- 1.15   0.000% *  0.0872% (0.23   0.02   0.02) =   0.000%
        T HG12  ILE   89 - QE    LYS+  38  21.40 +/- 0.71   0.000% *  0.0416% (0.11   0.02   0.02) =   0.000%
          QB    ALA   91 - QE    LYS+  38  24.17 +/- 0.76   0.000% *  0.0654% (0.17   0.02   0.02) =   0.000%
          QG2   ILE   56 - QE    LYS+  38  21.60 +/- 0.26   0.000% *  0.0225% (0.06   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QE    LYS+  38  29.88 +/- 0.66   0.000% *  0.0345% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.08 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   2.99 +/- 0.06  97.766% * 98.4204% (1.00   4.26  72.68) =  99.999%  kept
        T HB2   GLU- 100 - HA    LYS+  38   6.18 +/- 1.16   2.043% *  0.0279% (0.06   0.02   0.02) =   0.001%
          HB3   PHE   97 - HA    GLU- 100  10.70 +/- 0.15   0.047% *  0.4140% (0.90   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    GLU- 100  11.77 +/- 1.14   0.031% *  0.1284% (0.28   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    LYS+  38   9.70 +/- 0.56   0.092% *  0.0078% (0.02   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    LYS+  38  12.58 +/- 0.35   0.018% *  0.0250% (0.05   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLU- 100  22.46 +/- 1.08   0.001% *  0.2614% (0.57   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    GLU- 100  25.47 +/- 0.40   0.000% *  0.4525% (0.98   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    GLU- 100  27.16 +/- 0.48   0.000% *  0.2070% (0.45   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    LYS+  38  22.02 +/- 0.89   0.001% *  0.0158% (0.03   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    LYS+  38  26.88 +/- 0.39   0.000% *  0.0273% (0.06   0.02   0.02) =   0.000%
        T HB2   PRO   58 - HA    LYS+  38  26.98 +/- 0.36   0.000% *  0.0125% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.17 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   2.35 +/- 0.07  97.958% * 96.9116% (1.00   4.26  72.68) =  99.999%  kept
        T HB3   GLU- 100 - HA    LYS+  38   5.12 +/- 1.35   2.021% *  0.0275% (0.06   0.02   0.02) =   0.001%
          HB2   GLN   30 - HA    GLU- 100  13.79 +/- 1.03   0.003% *  0.4506% (0.99   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 100  16.04 +/- 0.92   0.001% *  0.4196% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+  38  11.67 +/- 0.36   0.007% *  0.0272% (0.06   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 100  16.04 +/- 1.90   0.001% *  0.1012% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 100  18.44 +/- 1.05   0.000% *  0.2574% (0.57   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    GLU- 100  21.32 +/- 0.46   0.000% *  0.4506% (0.99   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LYS+  38  13.81 +/- 0.54   0.003% *  0.0254% (0.06   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    GLU- 100  22.30 +/- 0.75   0.000% *  0.3943% (0.87   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+  38  13.30 +/- 2.02   0.004% *  0.0061% (0.01   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    GLU- 100  24.10 +/- 0.51   0.000% *  0.2213% (0.49   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 100  21.67 +/- 0.86   0.000% *  0.1012% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+  38  16.61 +/- 0.78   0.001% *  0.0156% (0.03   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    GLU- 100  25.80 +/- 0.69   0.000% *  0.1264% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    GLU- 100  31.77 +/- 0.51   0.000% *  0.3640% (0.80   0.02   0.02) =   0.000%
          HB    ILE  119 - HA    LYS+  38  22.24 +/- 0.52   0.000% *  0.0272% (0.06   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    LYS+  38  24.52 +/- 0.76   0.000% *  0.0238% (0.05   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+  38  19.63 +/- 0.65   0.000% *  0.0061% (0.01   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    LYS+  38  24.80 +/- 0.36   0.000% *  0.0134% (0.03   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    LYS+  38  31.96 +/- 0.43   0.000% *  0.0220% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    LYS+  38  27.62 +/- 0.53   0.000% *  0.0076% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.21 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   2.91 +/- 0.27  77.646% * 98.1354% (1.00   4.73  72.68) =  99.993%  kept
        T HG2   GLU- 100 - HA    LYS+  38   4.42 +/- 1.39  22.287% *  0.0251% (0.06   0.02   0.02) =   0.007%
          HB2   MET   96 - HA    GLU- 100  12.86 +/- 0.44   0.010% *  0.3014% (0.73   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    GLU- 100  12.46 +/- 0.83   0.013% *  0.1281% (0.31   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    GLU- 100  15.27 +/- 0.34   0.004% *  0.3600% (0.87   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    GLU- 100  17.65 +/- 0.94   0.002% *  0.1558% (0.38   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    LYS+  38  11.47 +/- 0.90   0.022% *  0.0077% (0.02   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    GLU- 100  18.71 +/- 1.25   0.001% *  0.1035% (0.25   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    LYS+  38  14.17 +/- 0.36   0.006% *  0.0182% (0.04   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    GLU- 100  25.14 +/- 0.78   0.000% *  0.4113% (0.99   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    LYS+  38  17.44 +/- 0.39   0.002% *  0.0218% (0.05   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    LYS+  38  15.45 +/- 0.38   0.003% *  0.0094% (0.02   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    GLU- 100  22.02 +/- 0.95   0.000% *  0.0727% (0.18   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    GLU- 100  28.17 +/- 0.74   0.000% *  0.2020% (0.49   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    LYS+  38  16.67 +/- 1.28   0.002% *  0.0063% (0.02   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    LYS+  38  24.90 +/- 0.44   0.000% *  0.0249% (0.06   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HA    LYS+  38  20.50 +/- 0.45   0.001% *  0.0044% (0.01   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    LYS+  38  29.49 +/- 0.49   0.000% *  0.0122% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.05 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   2.99 +/- 0.06  97.952% * 98.7897% (1.00   4.26  72.68) =  99.998%  kept
        T HA    LYS+  38 - HB2   GLU- 100   6.18 +/- 1.16   2.047% *  0.1032% (0.22   0.02   0.02) =   0.002%
          HA    VAL   83 - HB2   GLU- 100  20.23 +/- 0.47   0.001% *  0.4624% (1.00   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HB2   GLU- 100  27.95 +/- 0.40   0.000% *  0.4542% (0.98   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   GLU- 100  28.47 +/- 0.63   0.000% *  0.1905% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.44 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  99.999% * 94.0293% (1.00   2.00  72.68) = 100.000%  kept
          HB2   GLN   30 - HB2   GLU- 100  16.16 +/- 0.97   0.000% *  0.9320% (0.99   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB2   GLU- 100  18.43 +/- 0.86   0.000% *  0.8680% (0.92   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB2   GLU- 100  19.20 +/- 1.22   0.000% *  0.5324% (0.57   0.02   0.02) =   0.000%
          HB    ILE  119 - HB2   GLU- 100  21.15 +/- 0.68   0.000% *  0.9320% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB2   GLU- 100  17.65 +/- 2.07   0.000% *  0.2093% (0.22   0.02   0.02) =   0.000%
          HB    VAL  108 - HB2   GLU- 100  22.31 +/- 1.00   0.000% *  0.8156% (0.87   0.02   0.02) =   0.000%
          HB2   PRO   93 - HB2   GLU- 100  24.99 +/- 0.48   0.000% *  0.4577% (0.49   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB2   GLU- 100  23.31 +/- 0.69   0.000% *  0.2093% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB2   GLU- 100  25.64 +/- 1.07   0.000% *  0.2614% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB2   GLU- 100  32.62 +/- 0.47   0.000% *  0.7529% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.45 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 +/- 0.04  99.963% * 19.3053% (1.00   0.02  72.68) =  99.979%  kept
          HB2   MET   96 - HB2   GLU- 100  13.86 +/- 0.45   0.011% * 14.0185% (0.73   0.02   0.02) =   0.008%
          HB2   ASP- 105 - HB2   GLU- 100  14.78 +/- 0.84   0.008% * 16.7460% (0.87   0.02   0.02) =   0.007%
          HB    VAL   70 - HB2   GLU- 100  13.36 +/- 0.77   0.015% *  5.9585% (0.31   0.02   0.02) =   0.005%
          HB2   GLU-  29 - HB2   GLU- 100  20.15 +/- 0.90   0.001% *  7.2455% (0.38   0.02   0.02) =   0.000%
          QG    GLN   17 - HB2   GLU- 100  20.24 +/- 1.12   0.001% *  4.8138% (0.25   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   GLU- 100  26.89 +/- 0.47   0.000% * 19.1345% (0.99   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB2   GLU- 100  24.42 +/- 0.84   0.000% *  3.3810% (0.18   0.02   0.02) =   0.000%
          HG3   MET   92 - HB2   GLU- 100  28.89 +/- 0.63   0.000% *  9.3969% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 16 structures by 0.31 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   2.35 +/- 0.07  97.978% * 98.7897% (1.00   4.26  72.68) =  99.998%  kept
        T HA    LYS+  38 - HB3   GLU- 100   5.12 +/- 1.35   2.021% *  0.1032% (0.22   0.02   0.02) =   0.002%
          HA    VAL   83 - HB3   GLU- 100  20.38 +/- 0.84   0.000% *  0.4624% (1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB3   GLU- 100  28.62 +/- 0.31   0.000% *  0.4542% (0.98   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB3   GLU- 100  29.02 +/- 0.71   0.000% *  0.1905% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.51 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  11.73 +/- 0.28   0.001% *  0.8693% (0.90   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU- 100  13.06 +/- 1.53   0.001% *  0.2695% (0.28   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU- 100  26.26 +/- 0.61   0.000% *  0.9501% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  79 - HB3   GLU- 100  24.21 +/- 1.13   0.000% *  0.5488% (0.57   0.02   0.02) =   0.000%
          HB2   PRO   58 - HB3   GLU- 100  28.46 +/- 0.42   0.000% *  0.4346% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.46 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   2.47 +/- 0.11  99.991% * 97.4908% (1.00   3.25  72.68) = 100.000%  kept
          HB2   MET   96 - HB3   GLU- 100  14.53 +/- 0.28   0.003% *  0.4359% (0.73   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLU- 100  16.04 +/- 0.52   0.001% *  0.5207% (0.87   0.02   0.02) =   0.000%
        T HB    VAL   70 - HB3   GLU- 100  13.60 +/- 0.91   0.004% *  0.1853% (0.31   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   GLU- 100  19.43 +/- 1.39   0.000% *  0.2253% (0.38   0.02   0.02) =   0.000%
        T QG    GLN   17 - HB3   GLU- 100  20.05 +/- 1.49   0.000% *  0.1497% (0.25   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLU- 100  27.08 +/- 0.76   0.000% *  0.5950% (0.99   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLU- 100  23.87 +/- 1.34   0.000% *  0.1051% (0.18   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   GLU- 100  29.73 +/- 0.55   0.000% *  0.2922% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.46 A violated in 0 structures by 0.05 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   2.91 +/- 0.27  77.700% * 98.9076% (1.00   4.73  72.68) =  99.973%  kept
        T HA    LYS+  38 - HG2   GLU- 100   4.42 +/- 1.39  22.299% *  0.0931% (0.22   0.02   0.02) =   0.027%
          HA    VAL   83 - HG2   GLU- 100  20.84 +/- 1.10   0.001% *  0.4173% (1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG2   GLU- 100  27.03 +/- 0.67   0.000% *  0.4100% (0.98   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG2   GLU- 100  27.80 +/- 0.89   0.000% *  0.1720% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.55 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 +/- 0.04  99.925% * 98.0857% (1.00   3.25  72.68) = 100.000%  kept
          HB3   PHE   97 - HG2   GLU- 100  10.67 +/- 0.37   0.054% *  0.5416% (0.90   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLU- 100  13.18 +/- 1.45   0.020% *  0.1679% (0.28   0.02   0.02) =   0.000%
          HB2   GLN  116 - HG2   GLU- 100  24.87 +/- 0.66   0.000% *  0.5920% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLU- 100  23.91 +/- 1.29   0.000% *  0.3419% (0.57   0.02   0.02) =   0.000%
          HB2   PRO   58 - HG2   GLU- 100  26.67 +/- 0.74   0.000% *  0.2708% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.18 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   2.47 +/- 0.11  99.992% * 96.2373% (1.00   3.25  72.68) = 100.000%  kept
          HB2   GLN   30 - HG2   GLU- 100  14.72 +/- 1.53   0.003% *  0.5873% (0.99   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   GLU- 100  17.02 +/- 1.43   0.001% *  0.5470% (0.92   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HG2   GLU- 100  16.89 +/- 1.25   0.001% *  0.3355% (0.57   0.02   0.02) =   0.000%
        T QB    GLU-  15 - HG2   GLU- 100  15.50 +/- 2.26   0.002% *  0.1319% (0.22   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   GLU- 100  20.46 +/- 0.70   0.000% *  0.5873% (0.99   0.02   0.02) =   0.000%
          HB    VAL  108 - HG2   GLU- 100  23.05 +/- 0.67   0.000% *  0.5140% (0.87   0.02   0.02) =   0.000%
        T HB2   GLN   17 - HG2   GLU- 100  21.38 +/- 1.26   0.000% *  0.1319% (0.22   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG2   GLU- 100  24.74 +/- 0.84   0.000% *  0.2884% (0.49   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   GLU- 100  25.91 +/- 0.84   0.000% *  0.1648% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG2   GLU- 100  31.93 +/- 0.73   0.000% *  0.4745% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.88 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  19.35 +/- 1.01   0.000% *  0.3739% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.57 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  99.998% * 95.5020% (1.00   2.00  15.44) = 100.000%  kept
          HA    ALA   34 - HA2   GLY  101  11.18 +/- 1.21   0.002% *  0.9034% (0.95   0.02   0.02) =   0.000%
          HA    ASN   28 - HA2   GLY  101  14.04 +/- 2.00   0.001% *  0.7647% (0.80   0.02   0.02) =   0.000%
          HA    THR   26 - HA2   GLY  101  19.85 +/- 1.79   0.000% *  0.6560% (0.69   0.02   0.02) =   0.000%
          HA    LEU  115 - HA2   GLY  101  20.65 +/- 0.66   0.000% *  0.7977% (0.84   0.02   0.02) =   0.000%
          HA    GLU- 114 - HA2   GLY  101  22.38 +/- 0.79   0.000% *  0.9217% (0.97   0.02   0.02) =   0.000%
          HA    ALA  124 - HA2   GLY  101  21.42 +/- 1.47   0.000% *  0.1890% (0.20   0.02   0.02) =   0.000%
          HA    ARG+  54 - HA2   GLY  101  29.97 +/- 0.63   0.000% *  0.2655% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.57 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 = 160.0:
    * O T QB    LYS+ 102 - HA    LYS+ 102   2.38 +/- 0.06  98.050% * 98.3862% (1.00   6.31 160.03) =  99.998%  kept
          HG12  ILE  103 - HA    LYS+ 102   4.62 +/- 0.24   1.928% *  0.1063% (0.34   0.02  22.69) =   0.002%
        T HB    VAL   41 - HA    LYS+ 102  10.33 +/- 1.27   0.019% *  0.1517% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LYS+ 102  14.49 +/- 0.58   0.002% *  0.3007% (0.97   0.02   0.02) =   0.000%
          QB    LYS+  66 - HA    LYS+ 102  18.67 +/- 0.56   0.000% *  0.2141% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LYS+ 102  21.67 +/- 0.35   0.000% *  0.3055% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LYS+ 102  22.02 +/- 0.25   0.000% *  0.2877% (0.92   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+ 102  24.53 +/- 0.58   0.000% *  0.1517% (0.49   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    LYS+ 102  20.85 +/- 0.67   0.000% *  0.0481% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LYS+ 102  26.32 +/- 0.35   0.000% *  0.0481% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1216 (1.45, 4.60, 54.68 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 160.0:
    * O T HG2   LYS+ 102 - HA    LYS+ 102   3.43 +/- 0.45  99.749% * 97.7074% (1.00   5.75 160.03) =  99.999%  kept
          HG    LEU   40 - HA    LYS+ 102  10.22 +/- 0.56   0.184% *  0.2721% (0.80   0.02   0.02) =   0.001%
          HG    LEU   73 - HA    LYS+ 102  14.62 +/- 0.60   0.021% *  0.3331% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    LYS+ 102  17.11 +/- 0.95   0.008% *  0.2334% (0.69   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    LYS+ 102  17.67 +/- 1.87   0.008% *  0.2334% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    LYS+ 102  19.30 +/- 0.54   0.004% *  0.2721% (0.80   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    LYS+ 102  20.36 +/- 0.54   0.003% *  0.2948% (0.87   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    LYS+ 102  16.98 +/- 0.45   0.008% *  0.0847% (0.25   0.02   0.02) =   0.000%
          QB    ALA   61 - HA    LYS+ 102  20.53 +/- 0.33   0.003% *  0.1788% (0.53   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 102  20.29 +/- 0.69   0.003% *  0.1159% (0.34   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+ 102  19.94 +/- 0.32   0.003% *  0.1049% (0.31   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 102  20.44 +/- 0.55   0.003% *  0.0847% (0.25   0.02   0.02) =   0.000%
          HG    LEU  115 - HA    LYS+ 102  21.43 +/- 0.60   0.002% *  0.0847% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1217 (1.38, 4.60, 54.68 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 160.0:
    * O T HG3   LYS+ 102 - HA    LYS+ 102   2.66 +/- 0.49  92.394% * 96.8530% (1.00   5.05 160.03) =  99.989%  kept
          QB    LEU   98 - HA    LYS+ 102   4.47 +/- 0.20   5.736% *  0.1308% (0.34   0.02   1.07) =   0.008%
          HG    LEU   98 - HA    LYS+ 102   6.58 +/- 0.57   1.745% *  0.1066% (0.28   0.02   1.07) =   0.002%
        T HG3   LYS+ 106 - HA    LYS+ 102   8.82 +/- 0.21   0.106% *  0.3628% (0.95   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+ 102  13.58 +/- 0.42   0.008% *  0.3759% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 102  16.88 +/- 0.45   0.002% *  0.3827% (1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 102  17.06 +/- 0.53   0.002% *  0.3628% (0.95   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 102  15.35 +/- 0.28   0.004% *  0.1439% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    LYS+ 102  20.44 +/- 0.30   0.001% *  0.1577% (0.41   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 102  18.34 +/- 0.74   0.001% *  0.0759% (0.20   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 102  24.97 +/- 0.56   0.000% *  0.3759% (0.98   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    LYS+ 102  25.53 +/- 0.34   0.000% *  0.3801% (0.99   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 102  25.05 +/- 2.46   0.000% *  0.2326% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 102  20.80 +/- 0.44   0.001% *  0.0592% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1218 (1.68, 4.60, 54.68 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 160.0:
    *   T QD    LYS+ 102 - HA    LYS+ 102   3.26 +/- 0.53  98.687% * 97.4737% (1.00   5.05 160.03) =  99.998%  kept
          QD    LYS+ 106 - HA    LYS+ 102   8.01 +/- 0.74   0.654% *  0.0962% (0.25   0.02   0.02) =   0.001%
          QD    LYS+  99 - HA    LYS+ 102   8.22 +/- 0.37   0.528% *  0.0859% (0.22   0.02   1.21) =   0.000%
          QD    LYS+  38 - HA    LYS+ 102  11.05 +/- 0.98   0.091% *  0.3091% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 102  14.51 +/- 0.78   0.018% *  0.2031% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 102  15.60 +/- 0.54   0.011% *  0.1587% (0.41   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 102  17.56 +/- 0.31   0.005% *  0.2497% (0.65   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 102  20.31 +/- 0.80   0.002% *  0.3563% (0.92   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 102  23.08 +/- 0.25   0.001% *  0.3651% (0.95   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LYS+ 102  21.70 +/- 0.77   0.001% *  0.2185% (0.57   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HA    LYS+ 102  23.52 +/- 0.85   0.001% *  0.2651% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 102  23.37 +/- 0.63   0.001% *  0.2185% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1219 (3.02, 4.60, 54.68 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 160.0:
    *   T QE    LYS+ 102 - HA    LYS+ 102   2.91 +/- 0.29  99.878% * 99.3665% (1.00   5.05 160.03) = 100.000%  kept
        T QE    LYS+  99 - HA    LYS+ 102   9.50 +/- 0.27   0.098% *  0.2703% (0.69   0.02   1.21) =   0.000%
        T QE    LYS+  38 - HA    LYS+ 102  12.26 +/- 0.89   0.024% *  0.3632% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 160.0:
    * O T HA    LYS+ 102 - QB    LYS+ 102   2.38 +/- 0.06  99.971% * 98.6749% (1.00   6.31 160.03) = 100.000%  kept
        T HA    LYS+ 102 - HB    VAL   41  10.33 +/- 1.27   0.019% *  0.1404% (0.45   0.02   0.02) =   0.000%
          HA    CYS   21 - HB    VAL   41  12.92 +/- 0.48   0.004% *  0.1173% (0.38   0.02   0.02) =   0.000%
          HA    ALA   20 - HB    VAL   41  13.15 +/- 0.51   0.004% *  0.0278% (0.09   0.02   0.02) =   0.000%
          HA    CYS   21 - QB    LYS+ 102  20.91 +/- 0.56   0.000% *  0.2611% (0.84   0.02   0.02) =   0.000%
          HA1   GLY  109 - QB    LYS+ 102  19.42 +/- 0.71   0.000% *  0.1521% (0.49   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB    VAL   41  19.23 +/- 0.96   0.000% *  0.0684% (0.22   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL   41  20.52 +/- 0.56   0.000% *  0.0630% (0.20   0.02   0.02) =   0.000%
          HA    ALA   20 - QB    LYS+ 102  21.10 +/- 0.52   0.000% *  0.0619% (0.20   0.02   0.02) =   0.000%
          HA    CYS   50 - QB    LYS+ 102  24.26 +/- 0.33   0.000% *  0.1401% (0.45   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL   41  24.85 +/- 0.62   0.000% *  0.0908% (0.29   0.02   0.02) =   0.000%
          HA    TRP   49 - QB    LYS+ 102  28.56 +/- 0.34   0.000% *  0.2022% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 160.0:
    * O T HG2   LYS+ 102 - QB    LYS+ 102   2.25 +/- 0.12  98.351% * 96.2932% (1.00   5.31 160.03) =  99.997%  kept
          HG    LEU   73 - HB    VAL   41   4.96 +/- 0.61   1.120% *  0.1596% (0.44   0.02   0.95) =   0.002%
          HG    LEU   40 - HB    VAL   41   5.82 +/- 0.79   0.443% *  0.1304% (0.36   0.02  17.85) =   0.001%
          HG    LEU   40 - QB    LYS+ 102   9.02 +/- 1.04   0.032% *  0.2902% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB    VAL   41  10.22 +/- 0.79   0.013% *  0.1119% (0.31   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HB    VAL   41  12.19 +/- 1.46   0.005% *  0.1628% (0.45   0.02   0.02) =   0.000%
        T HG    LEU   67 - HB    VAL   41  11.33 +/- 1.23   0.008% *  0.1119% (0.31   0.02   0.02) =   0.000%
          HG    LEU   73 - QB    LYS+ 102  14.17 +/- 0.77   0.002% *  0.3552% (0.98   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB    VAL   41  10.24 +/- 0.95   0.014% *  0.0406% (0.11   0.02   0.02) =   0.000%
        T HG    LEU   67 - QB    LYS+ 102  15.47 +/- 2.04   0.001% *  0.2490% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   67 - QB    LYS+ 102  15.08 +/- 1.22   0.001% *  0.2490% (0.69   0.02   0.02) =   0.000%
        T QG    LYS+  66 - HB    VAL   41  15.21 +/- 0.48   0.001% *  0.1413% (0.39   0.02   0.02) =   0.000%
          HB3   LEU  115 - QB    LYS+ 102  17.38 +/- 0.57   0.000% *  0.2902% (0.80   0.02   0.02) =   0.000%
          QB    ALA   61 - HB    VAL   41  14.24 +/- 0.44   0.002% *  0.0857% (0.24   0.02   0.02) =   0.000%
          QB    ALA  120 - QB    LYS+ 102  14.41 +/- 0.43   0.001% *  0.0904% (0.25   0.02   0.02) =   0.000%
        T QG    LYS+  66 - QB    LYS+ 102  17.83 +/- 0.75   0.000% *  0.3144% (0.87   0.02   0.02) =   0.000%
          HG    LEU   80 - HB    VAL   41  14.20 +/- 0.81   0.002% *  0.0555% (0.15   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB    VAL   41  16.62 +/- 0.58   0.001% *  0.1304% (0.36   0.02   0.02) =   0.000%
          QB    ALA   61 - QB    LYS+ 102  18.62 +/- 0.48   0.000% *  0.1907% (0.53   0.02   0.02) =   0.000%
          QB    ALA  110 - QB    LYS+ 102  18.34 +/- 0.43   0.000% *  0.1119% (0.31   0.02   0.02) =   0.000%
          HG    LEU   80 - QB    LYS+ 102  19.94 +/- 0.58   0.000% *  0.1236% (0.34   0.02   0.02) =   0.000%
          QB    ALA  120 - HB    VAL   41  16.60 +/- 0.41   0.001% *  0.0406% (0.11   0.02   0.02) =   0.000%
          QB    ALA  110 - HB    VAL   41  17.28 +/- 0.61   0.001% *  0.0503% (0.14   0.02   0.02) =   0.000%
          HG    LEU  115 - QB    LYS+ 102  19.12 +/- 0.61   0.000% *  0.0904% (0.25   0.02   0.02) =   0.000%
          HG12  ILE   19 - QB    LYS+ 102  19.20 +/- 0.88   0.000% *  0.0904% (0.25   0.02   0.02) =   0.000%
          HG    LEU  115 - HB    VAL   41  18.84 +/- 1.14   0.000% *  0.0406% (0.11   0.02   0.02) =   0.000%
    Distance limit 2.64 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 = 160.0:
    * O T HG3   LYS+ 102 - QB    LYS+ 102   2.49 +/- 0.15  87.526% * 95.0579% (1.00   4.75 160.03) =  99.989%  kept
        T QB    LEU   98 - HB    VAL   41   4.30 +/- 1.20   9.146% *  0.0614% (0.15   0.02  15.02) =   0.007%
          QB    LEU   98 - QB    LYS+ 102   5.34 +/- 0.32   1.026% *  0.1366% (0.34   0.02   1.07) =   0.002%
          HG    LEU   98 - HB    VAL   41   5.59 +/- 1.21   1.410% *  0.0500% (0.12   0.02  15.02) =   0.001%
        T HB    VAL   42 - HB    VAL   41   6.29 +/- 0.18   0.364% *  0.1764% (0.44   0.02  23.59) =   0.001%
        T HG3   LYS+ 106 - QB    LYS+ 102   8.26 +/- 0.68   0.080% *  0.3788% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB    VAL   41   7.58 +/- 0.53   0.130% *  0.1795% (0.45   0.02   0.95) =   0.000%
          HG    LEU   98 - QB    LYS+ 102   7.35 +/- 0.67   0.164% *  0.1113% (0.28   0.02   1.07) =   0.000%
        T HG3   LYS+  33 - HB    VAL   41   8.64 +/- 1.23   0.101% *  0.1702% (0.43   0.02   0.02) =   0.000%
        T HB    VAL   42 - QB    LYS+ 102  12.60 +/- 0.71   0.006% *  0.3925% (0.98   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB    VAL   41  11.82 +/- 1.57   0.011% *  0.1702% (0.43   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB    VAL   41  11.93 +/- 1.50   0.010% *  0.1799% (0.45   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 102  16.03 +/- 1.13   0.001% *  0.3788% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 102  16.35 +/- 0.63   0.001% *  0.3995% (1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HB    VAL   41  12.68 +/- 0.64   0.006% *  0.0675% (0.17   0.02   0.02) =   0.000%
          QB    ALA   84 - QB    LYS+ 102  15.20 +/- 0.39   0.002% *  0.1503% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HB    VAL   41  12.04 +/- 0.37   0.007% *  0.0278% (0.07   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HB    VAL   41  16.87 +/- 0.82   0.001% *  0.1764% (0.44   0.02   0.02) =   0.000%
          QB    ALA  124 - QB    LYS+ 102  15.20 +/- 0.79   0.002% *  0.0792% (0.20   0.02   0.02) =   0.000%
          QB    ALA   12 - HB    VAL   41  17.06 +/- 2.19   0.001% *  0.1091% (0.27   0.02   0.02) =   0.000%
          HB3   PRO   93 - HB    VAL   41  16.62 +/- 0.66   0.001% *  0.0740% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 102  19.11 +/- 0.43   0.000% *  0.1646% (0.41   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 102  22.41 +/- 0.85   0.000% *  0.3925% (0.98   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QB    LYS+ 102  22.85 +/- 0.49   0.000% *  0.3969% (0.99   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 102  22.86 +/- 2.15   0.000% *  0.2429% (0.61   0.02   0.02) =   0.000%
          QB    ALA  124 - HB    VAL   41  17.24 +/- 0.90   0.001% *  0.0356% (0.09   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - HB    VAL   41  23.42 +/- 0.52   0.000% *  0.1783% (0.45   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 102  19.71 +/- 0.53   0.000% *  0.0618% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.78 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 = 160.0:
    * O T QD    LYS+ 102 - QB    LYS+ 102   2.06 +/- 0.25  99.545% * 95.9828% (1.00   4.75 160.03) = 100.000%  kept
          QD    LYS+  99 - QB    LYS+ 102   6.37 +/- 1.06   0.207% *  0.0900% (0.22   0.02   1.21) =   0.000%
          HB2   LEU   73 - HB    VAL   41   6.79 +/- 0.45   0.102% *  0.0747% (0.18   0.02   0.95) =   0.000%
          QD    LYS+ 106 - QB    LYS+ 102   7.53 +/- 0.95   0.070% *  0.1008% (0.25   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QB    LYS+ 102   9.63 +/- 1.48   0.020% *  0.3238% (0.80   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB    VAL   41   8.19 +/- 0.55   0.031% *  0.0404% (0.10   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB    VAL   41  10.72 +/- 0.40   0.008% *  0.1455% (0.36   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB    VAL   41  12.16 +/- 1.15   0.004% *  0.1817% (0.45   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QB    LYS+ 102  12.12 +/- 0.72   0.003% *  0.2127% (0.53   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB    VAL   41  11.75 +/- 1.70   0.004% *  0.0453% (0.11   0.02   0.02) =   0.000%
          HB    VAL   83 - HB    VAL   41  13.48 +/- 0.63   0.002% *  0.1175% (0.29   0.02   0.02) =   0.000%
          HB2   LEU  123 - QB    LYS+ 102  17.14 +/- 0.80   0.000% *  0.3732% (0.92   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 102  15.23 +/- 0.63   0.001% *  0.1662% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB    VAL   41  14.91 +/- 0.81   0.001% *  0.0956% (0.24   0.02   0.02) =   0.000%
          HB    VAL   83 - QB    LYS+ 102  17.65 +/- 0.37   0.000% *  0.2616% (0.65   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB    VAL   41  16.12 +/- 0.75   0.001% *  0.1029% (0.25   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HB    VAL   41  18.68 +/- 0.82   0.000% *  0.1677% (0.41   0.02   0.02) =   0.000%
        T HG3   PRO   93 - QB    LYS+ 102  21.50 +/- 0.44   0.000% *  0.3825% (0.95   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 102  20.37 +/- 0.92   0.000% *  0.2289% (0.57   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HB    VAL   41  19.21 +/- 0.62   0.000% *  0.1719% (0.43   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 102  21.20 +/- 0.90   0.000% *  0.2777% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QB    LYS+ 102  20.88 +/- 0.72   0.000% *  0.2289% (0.57   0.02   0.02) =   0.000%
          HB3   MET   92 - HB    VAL   41  19.52 +/- 0.81   0.000% *  0.1029% (0.25   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB    VAL   41  23.40 +/- 0.76   0.000% *  0.1248% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.64 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 = 160.0:
    *   T QE    LYS+ 102 - QB    LYS+ 102   2.90 +/- 0.34  99.103% * 98.8413% (1.00   4.75 160.03) =  99.998%  kept
        T QE    LYS+  99 - QB    LYS+ 102   7.76 +/- 1.04   0.396% *  0.2860% (0.69   0.02   1.21) =   0.001%
        T QE    LYS+  99 - HB    VAL   41   7.57 +/- 0.41   0.388% *  0.1285% (0.31   0.02   0.02) =   0.001%
        T QE    LYS+  38 - QB    LYS+ 102  10.83 +/- 1.44   0.052% *  0.3844% (0.92   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HB    VAL   41  11.83 +/- 1.24   0.032% *  0.1871% (0.45   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HB    VAL   41  11.48 +/- 0.36   0.029% *  0.1727% (0.41   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1226 (4.60, 1.45, 25.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.75, residual support = 160.0:
    * O T HA    LYS+ 102 - HG2   LYS+ 102   3.43 +/- 0.45  99.996% * 99.0987% (1.00   5.75 160.03) = 100.000%  kept
          HA    CYS   21 - HG2   LYS+ 102  24.15 +/- 0.84   0.001% *  0.2879% (0.84   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG2   LYS+ 102  23.52 +/- 0.81   0.001% *  0.1678% (0.49   0.02   0.02) =   0.000%
          HA    ALA   20 - HG2   LYS+ 102  24.63 +/- 0.86   0.001% *  0.0682% (0.20   0.02   0.02) =   0.000%
          HA    CYS   50 - HG2   LYS+ 102  28.72 +/- 0.63   0.000% *  0.1545% (0.45   0.02   0.02) =   0.000%
          HA    TRP   49 - HG2   LYS+ 102  33.46 +/- 0.59   0.000% *  0.2230% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 160.0:
    * O T QB    LYS+ 102 - HG2   LYS+ 102   2.25 +/- 0.12  99.912% * 98.0882% (1.00   5.31 160.03) = 100.000%  kept
          HG12  ILE  103 - HG2   LYS+ 102   7.72 +/- 0.52   0.080% *  0.1259% (0.34   0.02  22.69) =   0.000%
        T HB    VAL   41 - HG2   LYS+ 102  12.19 +/- 1.46   0.005% *  0.1797% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG2   LYS+ 102  15.77 +/- 1.35   0.001% *  0.3563% (0.97   0.02   0.02) =   0.000%
        T QB    LYS+  66 - HG2   LYS+ 102  19.53 +/- 1.14   0.000% *  0.2536% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG2   LYS+ 102  22.86 +/- 1.02   0.000% *  0.3619% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG2   LYS+ 102  24.69 +/- 0.82   0.000% *  0.3408% (0.92   0.02   0.02) =   0.000%
          HG    LEU  123 - HG2   LYS+ 102  21.56 +/- 1.35   0.000% *  0.0570% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG2   LYS+ 102  26.05 +/- 1.24   0.000% *  0.1797% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG2   LYS+ 102  29.01 +/- 0.87   0.000% *  0.0570% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1228 (1.45, 1.45, 25.01 ppm):
    1 diagonal assignment:
    *     HG2   LYS+ 102 - HG2   LYS+ 102  (1.00)  kept
 
    Peak 1229 (1.38, 1.45, 25.01 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 4.42, residual support = 160.0:
    * O T HG3   LYS+ 102 - HG2   LYS+ 102   1.75 +/- 0.00  99.957% * 96.4211% (1.00   4.42 160.03) = 100.000%  kept
          QB    LEU   98 - HG2   LYS+ 102   6.83 +/- 0.49   0.032% *  0.1488% (0.34   0.02   1.07) =   0.000%
          HG    LEU   98 - HG2   LYS+ 102   9.33 +/- 0.98   0.009% *  0.1213% (0.28   0.02   1.07) =   0.000%
        T HG3   LYS+ 106 - HG2   LYS+ 102  11.15 +/- 0.83   0.002% *  0.4126% (0.95   0.02   0.02) =   0.000%
          HB    VAL   42 - HG2   LYS+ 102  15.44 +/- 0.94   0.000% *  0.4275% (0.98   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HG2   LYS+ 102  18.00 +/- 1.32   0.000% *  0.4126% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 102  19.14 +/- 0.91   0.000% *  0.4352% (1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 102  17.89 +/- 0.54   0.000% *  0.1637% (0.38   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 102  18.09 +/- 1.24   0.000% *  0.0863% (0.20   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HG2   LYS+ 102  26.48 +/- 1.24   0.000% *  0.4275% (0.98   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+ 102  23.12 +/- 0.77   0.000% *  0.1793% (0.41   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 102  25.88 +/- 2.52   0.000% *  0.2645% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HG2   LYS+ 102  27.54 +/- 0.95   0.000% *  0.4323% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HG2   LYS+ 102  23.21 +/- 0.87   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 = 160.0:
    * O T QD    LYS+ 102 - HG2   LYS+ 102   2.20 +/- 0.08  99.879% * 97.1244% (1.00   4.42 160.03) = 100.000%  kept
          QD    LYS+  99 - HG2   LYS+ 102   8.02 +/- 1.35   0.084% *  0.0978% (0.22   0.02   1.21) =   0.000%
          QD    LYS+  38 - HG2   LYS+ 102  10.06 +/- 1.84   0.019% *  0.3518% (0.80   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   LYS+ 102  10.10 +/- 1.11   0.015% *  0.1096% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 102  15.37 +/- 1.55   0.001% *  0.2311% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 102  17.98 +/- 0.93   0.000% *  0.1806% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 102  20.82 +/- 1.44   0.000% *  0.4056% (0.92   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 102  20.41 +/- 0.63   0.000% *  0.2842% (0.65   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 102  25.79 +/- 0.76   0.000% *  0.4156% (0.95   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 102  24.49 +/- 1.21   0.000% *  0.2487% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 102  24.57 +/- 1.10   0.000% *  0.2487% (0.57   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+ 102  25.68 +/- 1.39   0.000% *  0.3018% (0.69   0.02   0.02) =   0.000%
    Distance limit 2.58 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 = 160.0:
    * O T QE    LYS+ 102 - HG2   LYS+ 102   3.14 +/- 0.26  99.703% * 99.2770% (1.00   4.42 160.03) =  99.999%  kept
        T QE    LYS+  99 - HG2   LYS+ 102   9.36 +/- 1.23   0.213% *  0.3085% (0.69   0.02   1.21) =   0.001%
        T QE    LYS+  38 - HG2   LYS+ 102  11.35 +/- 1.79   0.083% *  0.4146% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1232 (4.60, 1.38, 25.01 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.05, residual support = 160.0:
    * O T HA    LYS+ 102 - HG3   LYS+ 102   2.66 +/- 0.49  99.797% * 96.9250% (1.00   5.05 160.03) = 100.000%  kept
        T HA    LYS+ 102 - HG3   LYS+ 106   8.82 +/- 0.21   0.133% *  0.0699% (0.18   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  33  12.75 +/- 1.15   0.023% *  0.1593% (0.41   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  65  13.42 +/- 0.61   0.011% *  0.0618% (0.16   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+  65  17.26 +/- 0.59   0.002% *  0.2609% (0.68   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  33  17.06 +/- 0.53   0.002% *  0.1907% (0.50   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 106  12.80 +/- 0.59   0.013% *  0.0340% (0.09   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+  33  14.22 +/- 0.81   0.009% *  0.0377% (0.10   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  65  17.71 +/- 0.71   0.002% *  0.1400% (0.36   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  65  20.39 +/- 0.78   0.001% *  0.1520% (0.40   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  65  21.34 +/- 0.89   0.001% *  0.2021% (0.53   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 102  23.63 +/- 0.89   0.000% *  0.3206% (0.84   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HG3   LYS+  65  24.97 +/- 0.56   0.000% *  0.3123% (0.81   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+ 102  22.92 +/- 1.02   0.000% *  0.1868% (0.49   0.02   0.02) =   0.000%
          HA    CYS   21 - HG3   LYS+ 106  20.63 +/- 1.00   0.001% *  0.0584% (0.15   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 106  19.40 +/- 0.72   0.001% *  0.0314% (0.08   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+  33  25.35 +/- 0.72   0.000% *  0.0855% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 102  24.20 +/- 0.81   0.000% *  0.0760% (0.20   0.02   0.02) =   0.000%
          HA    CYS   50 - HG3   LYS+ 102  28.13 +/- 0.79   0.000% *  0.1721% (0.45   0.02   0.02) =   0.000%
          HA1   GLY  109 - HG3   LYS+  33  26.45 +/- 0.81   0.000% *  0.0928% (0.24   0.02   0.02) =   0.000%
          HA    ALA   20 - HG3   LYS+ 106  19.69 +/- 0.91   0.001% *  0.0138% (0.04   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+  33  28.75 +/- 1.05   0.000% *  0.1233% (0.32   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 106  24.42 +/- 0.73   0.000% *  0.0452% (0.12   0.02   0.02) =   0.000%
          HA    TRP   49 - HG3   LYS+ 102  32.81 +/- 0.75   0.000% *  0.2483% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1233 (1.81, 1.38, 25.01 ppm):
    40 chemical-shift based assignments, quality = 0.877, support = 5.27, residual support = 161.1:
      O   QB    LYS+  65 - HG3   LYS+  65   2.29 +/- 0.15  61.608% * 47.1060% (0.80   5.60 161.77) =  60.832%  kept
    * O T QB    LYS+ 102 - HG3   LYS+ 102   2.49 +/- 0.15  37.350% * 50.0272% (1.00   4.75 160.03) =  39.167%  kept
          HB2   LEU   71 - HG3   LYS+  33   6.28 +/- 1.13   0.234% *  0.1010% (0.48   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  65   6.99 +/- 0.94   0.182% *  0.0835% (0.40   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  65   6.76 +/- 0.11   0.093% *  0.1178% (0.56   0.02  27.59) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 102   6.96 +/- 0.74   0.113% *  0.0719% (0.34   0.02  22.69) =   0.000%
          HG12  ILE  103 - HG3   LYS+ 106   5.55 +/- 0.29   0.327% *  0.0131% (0.06   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+  33   8.64 +/- 1.23   0.041% *  0.0510% (0.24   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+ 106   8.26 +/- 0.68   0.032% *  0.0384% (0.18   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 102  11.93 +/- 1.50   0.004% *  0.1026% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+  65  14.23 +/- 0.69   0.001% *  0.1655% (0.79   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 102  15.77 +/- 1.16   0.001% *  0.2034% (0.97   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+ 106  11.82 +/- 1.57   0.005% *  0.0187% (0.09   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  33  14.07 +/- 1.22   0.001% *  0.0510% (0.24   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  33  16.03 +/- 1.13   0.001% *  0.1047% (0.50   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  65  17.61 +/- 0.92   0.000% *  0.1583% (0.75   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  65  13.46 +/- 0.80   0.002% *  0.0265% (0.13   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 106  14.24 +/- 0.47   0.001% *  0.0354% (0.17   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+  33  17.27 +/- 1.01   0.000% *  0.1026% (0.49   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   LYS+  65  16.87 +/- 0.82   0.000% *  0.0835% (0.40   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+  33  17.15 +/- 1.22   0.000% *  0.0719% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   LYS+ 106  15.68 +/- 0.85   0.001% *  0.0371% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 102  19.77 +/- 1.04   0.000% *  0.1448% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   LYS+ 106  15.29 +/- 0.57   0.001% *  0.0264% (0.13   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  33  16.60 +/- 0.43   0.000% *  0.0357% (0.17   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 102  22.97 +/- 0.93   0.000% *  0.2066% (0.98   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   LYS+  65  22.41 +/- 0.85   0.000% *  0.1715% (0.81   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG3   LYS+ 106  18.08 +/- 0.49   0.000% *  0.0376% (0.18   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+ 102  24.15 +/- 0.96   0.000% *  0.1945% (0.92   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   LYS+  65  22.20 +/- 0.61   0.000% *  0.0585% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  65  19.93 +/- 0.83   0.000% *  0.0265% (0.13   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 106  15.95 +/- 0.64   0.001% *  0.0059% (0.03   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG3   LYS+  33  25.40 +/- 0.64   0.000% *  0.0966% (0.46   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 102  26.04 +/- 1.14   0.000% *  0.1026% (0.49   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+ 102  21.89 +/- 1.31   0.000% *  0.0325% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 106  18.44 +/- 0.52   0.000% *  0.0059% (0.03   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+ 106  22.50 +/- 0.74   0.000% *  0.0187% (0.09   0.02   0.02) =   0.000%
          HG    LEU  123 - HG3   LYS+  33  23.92 +/- 1.20   0.000% *  0.0162% (0.08   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+ 102  28.45 +/- 0.96   0.000% *  0.0325% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   LYS+  33  29.09 +/- 0.51   0.000% *  0.0162% (0.08   0.02   0.02) =   0.000%
    Distance limit 2.64 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 = 160.0:
    * O T HG2   LYS+ 102 - HG3   LYS+ 102   1.75 +/- 0.00  98.036% * 92.3507% (1.00   4.42 160.03) =  99.996%  kept
          QB    ALA   61 - HG3   LYS+  65   3.82 +/- 0.71   1.823% *  0.1789% (0.43   0.02   0.02) =   0.004%
          QG    LYS+  66 - HG3   LYS+  65   5.69 +/- 0.54   0.096% *  0.2949% (0.71   0.02  27.59) =   0.000%
          HG    LEU   73 - HG3   LYS+  33   8.56 +/- 0.48   0.008% *  0.2034% (0.49   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  65   9.54 +/- 1.23   0.005% *  0.2335% (0.56   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  65   9.27 +/- 0.73   0.005% *  0.2335% (0.56   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  33   8.27 +/- 0.69   0.010% *  0.0517% (0.12   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 102  11.49 +/- 0.93   0.001% *  0.3345% (0.80   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  33  12.30 +/- 1.60   0.001% *  0.1662% (0.40   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+ 106  10.46 +/- 0.61   0.002% *  0.0609% (0.15   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+ 106  11.15 +/- 0.83   0.002% *  0.0761% (0.18   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+  65  14.37 +/- 0.64   0.000% *  0.3332% (0.80   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  65  14.15 +/- 0.76   0.000% *  0.2722% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+  33  13.48 +/- 1.41   0.001% *  0.1425% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 106  11.47 +/- 0.35   0.001% *  0.0609% (0.15   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+  33  14.53 +/- 2.01   0.000% *  0.1425% (0.34   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 102  16.38 +/- 1.03   0.000% *  0.4095% (0.98   0.02   0.02) =   0.000%
          HG    LEU   40 - HG3   LYS+  65  15.46 +/- 1.05   0.000% *  0.2722% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+  65  13.21 +/- 0.77   0.001% *  0.0848% (0.20   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  65  14.44 +/- 1.45   0.000% *  0.0848% (0.20   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  65  14.13 +/- 0.69   0.000% *  0.0848% (0.20   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  65  14.70 +/- 0.86   0.000% *  0.1049% (0.25   0.02   0.02) =   0.000%
          HG    LEU   73 - HG3   LYS+ 106  14.20 +/- 0.90   0.000% *  0.0746% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 102  18.31 +/- 1.41   0.000% *  0.2870% (0.69   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 102  18.85 +/- 2.16   0.000% *  0.2870% (0.69   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  33  18.00 +/- 1.32   0.000% *  0.2075% (0.50   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 106  12.07 +/- 0.54   0.001% *  0.0190% (0.05   0.02   0.02) =   0.000%
          HG    LEU   67 - HG3   LYS+ 106  15.76 +/- 2.20   0.000% *  0.0523% (0.13   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+  33  18.49 +/- 1.16   0.000% *  0.1800% (0.43   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+  33  17.04 +/- 0.59   0.000% *  0.1092% (0.26   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 106  13.21 +/- 0.44   0.001% *  0.0235% (0.06   0.02   0.02) =   0.000%
          HB3   LEU   67 - HG3   LYS+ 106  15.41 +/- 0.91   0.000% *  0.0523% (0.13   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+ 102  21.14 +/- 1.16   0.000% *  0.3345% (0.80   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  33  16.51 +/- 1.29   0.000% *  0.0708% (0.17   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 102  21.52 +/- 1.02   0.000% *  0.3624% (0.87   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+ 102  17.85 +/- 1.09   0.000% *  0.1042% (0.25   0.02   0.02) =   0.000%
          QG    LYS+  66 - HG3   LYS+ 106  16.50 +/- 0.52   0.000% *  0.0660% (0.16   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 106  13.59 +/- 0.46   0.000% *  0.0190% (0.05   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 106  16.13 +/- 0.55   0.000% *  0.0400% (0.10   0.02   0.02) =   0.000%
          QB    ALA   61 - HG3   LYS+ 102  22.04 +/- 0.85   0.000% *  0.2198% (0.53   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+ 102  21.67 +/- 0.80   0.000% *  0.1289% (0.31   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 102  22.27 +/- 0.89   0.000% *  0.1425% (0.34   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+  65  21.80 +/- 1.02   0.000% *  0.1160% (0.28   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HG3   LYS+  65  26.48 +/- 1.24   0.000% *  0.3400% (0.81   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 102  21.97 +/- 1.13   0.000% *  0.1042% (0.25   0.02   0.02) =   0.000%
          HB3   LEU  115 - HG3   LYS+  33  23.67 +/- 0.81   0.000% *  0.1662% (0.40   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+ 102  23.15 +/- 1.14   0.000% *  0.1042% (0.25   0.02   0.02) =   0.000%
          HG    LEU   80 - HG3   LYS+ 106  18.80 +/- 1.14   0.000% *  0.0260% (0.06   0.02   0.02) =   0.000%
          QB    ALA  110 - HG3   LYS+  33  22.73 +/- 0.48   0.000% *  0.0640% (0.15   0.02   0.02) =   0.000%
          QB    ALA  120 - HG3   LYS+  33  22.05 +/- 0.93   0.000% *  0.0517% (0.12   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG3   LYS+ 106  20.17 +/- 0.88   0.000% *  0.0190% (0.05   0.02   0.02) =   0.000%
          HG    LEU  115 - HG3   LYS+  33  25.64 +/- 1.32   0.000% *  0.0517% (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 = 0.758, support = 4.14, residual support = 158.8:
    * O T QD    LYS+ 102 - HG3   LYS+ 102   2.52 +/- 0.09  24.324% * 61.2466% (1.00   4.00 160.03) =  59.963%  kept
      O T QD    LYS+  65 - HG3   LYS+  65   2.48 +/- 0.14  27.811% * 30.2353% (0.46   4.29 161.77) =  33.845%  kept
      O   QD    LYS+ 106 - HG3   LYS+ 106   2.25 +/- 0.13  47.780% *  3.2197% (0.05   4.63 130.11) =   6.192%  kept
          QD    LYS+  38 - HG3   LYS+ 102  10.51 +/- 1.56   0.007% *  0.2452% (0.80   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 102   8.55 +/- 1.01   0.022% *  0.0682% (0.22   0.02   1.21) =   0.000%
          QD    LYS+ 106 - HG3   LYS+ 102   9.60 +/- 1.14   0.012% *  0.0764% (0.25   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  33  10.37 +/- 0.96   0.006% *  0.1218% (0.40   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+ 106   9.62 +/- 0.62   0.009% *  0.0558% (0.18   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  33  10.46 +/- 0.50   0.005% *  0.0625% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 106   9.43 +/- 0.66   0.010% *  0.0294% (0.10   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  65  15.04 +/- 0.95   0.001% *  0.2300% (0.75   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 102  15.60 +/- 1.51   0.001% *  0.1611% (0.53   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+ 106  10.33 +/- 0.32   0.005% *  0.0124% (0.04   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+  65  14.80 +/- 0.55   0.001% *  0.1025% (0.33   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  65  17.37 +/- 0.84   0.000% *  0.2357% (0.77   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  33  13.05 +/- 1.12   0.001% *  0.0339% (0.11   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  65  17.11 +/- 0.67   0.000% *  0.1311% (0.43   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  33  17.63 +/- 0.80   0.000% *  0.1521% (0.50   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 102  17.52 +/- 0.96   0.000% *  0.1259% (0.41   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  33  17.02 +/- 1.27   0.000% *  0.0984% (0.32   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 106  14.20 +/- 0.95   0.001% *  0.0316% (0.10   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 106  14.80 +/- 0.76   0.001% *  0.0383% (0.13   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 102  21.20 +/- 1.37   0.000% *  0.2827% (0.92   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 106  15.58 +/- 0.52   0.000% *  0.0528% (0.17   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+  33  17.42 +/- 1.54   0.000% *  0.0861% (0.28   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 102  19.53 +/- 0.81   0.000% *  0.1981% (0.65   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 106  15.90 +/- 0.75   0.000% *  0.0515% (0.17   0.02   0.02) =   0.000%
        T HB2   LEU   73 - HG3   LYS+ 106  14.28 +/- 0.94   0.001% *  0.0229% (0.07   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   LYS+  65  16.97 +/- 0.56   0.000% *  0.0555% (0.18   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 106  16.69 +/- 1.05   0.000% *  0.0361% (0.12   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  65  20.93 +/- 0.95   0.000% *  0.1411% (0.46   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 106  17.25 +/- 0.67   0.000% *  0.0447% (0.15   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+  65  22.63 +/- 0.80   0.000% *  0.1996% (0.65   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  65  22.14 +/- 1.10   0.000% *  0.1712% (0.56   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 102  25.24 +/- 0.91   0.000% *  0.2897% (0.95   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+  65  24.71 +/- 0.80   0.000% *  0.2492% (0.81   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+ 102  23.83 +/- 1.17   0.000% *  0.1734% (0.57   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+ 102  25.29 +/- 1.50   0.000% *  0.2104% (0.69   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  65  20.28 +/- 0.81   0.000% *  0.0621% (0.20   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+  65  23.84 +/- 0.47   0.000% *  0.1612% (0.53   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 102  24.66 +/- 1.00   0.000% *  0.1734% (0.57   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   LYS+  33  19.22 +/- 1.07   0.000% *  0.0379% (0.12   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+  33  22.05 +/- 1.44   0.000% *  0.0800% (0.26   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+  33  24.22 +/- 1.60   0.000% *  0.1404% (0.46   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+  33  25.41 +/- 0.69   0.000% *  0.1439% (0.47   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 106  20.09 +/- 0.54   0.000% *  0.0316% (0.10   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   LYS+  33  26.27 +/- 0.74   0.000% *  0.0861% (0.28   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   LYS+  33  31.02 +/- 0.90   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 = 160.0:
    * O T QE    LYS+ 102 - HG3   LYS+ 102   2.22 +/- 0.20  99.921% * 97.3207% (1.00   4.00 160.03) = 100.000%  kept
        T QE    LYS+  99 - HG3   LYS+ 102   9.85 +/- 0.90   0.015% *  0.3343% (0.69   0.02   1.21) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  33  10.06 +/- 0.84   0.018% *  0.2231% (0.46   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 102  11.73 +/- 1.46   0.006% *  0.4492% (0.92   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+ 106   9.36 +/- 0.82   0.023% *  0.0887% (0.18   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  33  11.34 +/- 1.26   0.011% *  0.1660% (0.34   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+ 106  11.83 +/- 0.45   0.005% *  0.0609% (0.13   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HG3   LYS+  65  16.04 +/- 0.69   0.001% *  0.2720% (0.56   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  33  17.38 +/- 0.70   0.001% *  0.2417% (0.50   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+  65  23.35 +/- 0.97   0.000% *  0.3655% (0.75   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HG3   LYS+ 106  18.51 +/- 0.65   0.000% *  0.0818% (0.17   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HG3   LYS+  65  24.76 +/- 0.70   0.000% *  0.3960% (0.81   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 160.0:
    *   T HA    LYS+ 102 - QD    LYS+ 102   3.26 +/- 0.53  98.321% * 98.2592% (1.00   5.05 160.03) =  99.999%  kept
          HA1   GLY  109 - HD2   LYS+ 111   7.51 +/- 0.89   1.595% *  0.0495% (0.13   0.02   0.02) =   0.001%
          HA    ALA   20 - QD    LYS+  65  13.08 +/- 1.29   0.039% *  0.0195% (0.05   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+  65  16.46 +/- 1.26   0.009% *  0.0821% (0.21   0.02   0.02) =   0.000%
          HA    CYS   50 - HD2   LYS+ 111  15.23 +/- 0.91   0.013% *  0.0456% (0.12   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+ 102  20.72 +/- 0.69   0.002% *  0.1894% (0.49   0.02   0.02) =   0.000%
          HA    CYS   21 - QD    LYS+ 102  22.51 +/- 0.61   0.001% *  0.3250% (0.84   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+  65  17.27 +/- 0.89   0.007% *  0.0441% (0.11   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   LYS+ 111  19.45 +/- 1.05   0.003% *  0.0658% (0.17   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+  65  20.36 +/- 0.93   0.002% *  0.0636% (0.16   0.02   0.02) =   0.000%
          HA1   GLY  109 - QD    LYS+  65  19.78 +/- 0.92   0.003% *  0.0479% (0.12   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - HD2   LYS+ 111  23.52 +/- 0.85   0.001% *  0.1017% (0.26   0.02   0.02) =   0.000%
        T HA    LYS+ 102 - QD    LYS+  65  23.37 +/- 0.63   0.001% *  0.0983% (0.25   0.02   0.02) =   0.000%
          HA    CYS   50 - QD    LYS+ 102  25.86 +/- 0.56   0.000% *  0.1744% (0.45   0.02   0.02) =   0.000%
          HA    ALA   20 - QD    LYS+ 102  22.93 +/- 0.52   0.001% *  0.0770% (0.20   0.02   0.02) =   0.000%
          HA    TRP   49 - QD    LYS+ 102  30.08 +/- 0.63   0.000% *  0.2517% (0.65   0.02   0.02) =   0.000%
          HA    CYS   21 - HD2   LYS+ 111  26.42 +/- 0.81   0.000% *  0.0850% (0.22   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   LYS+ 111  23.69 +/- 0.75   0.001% *  0.0201% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.31 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 = 0.852, support = 4.81, residual support = 160.4:
    * O T QB    LYS+ 102 - QD    LYS+ 102   2.06 +/- 0.25  51.725% * 76.9611% (1.00   4.75 160.03) =  80.268%  kept
      O T QB    LYS+  65 - QD    LYS+  65   2.07 +/- 0.11  47.944% * 20.4104% (0.25   5.08 161.77) =  19.731%  kept
          HB3   GLN   17 - QD    LYS+  65   6.37 +/- 1.47   0.217% *  0.0399% (0.12   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+ 102   6.92 +/- 0.49   0.045% *  0.1106% (0.34   0.02  22.69) =   0.000%
          QB    LYS+  66 - QD    LYS+  65   6.46 +/- 0.25   0.051% *  0.0563% (0.17   0.02  27.59) =   0.000%
        T HG2   PRO   93 - HD2   LYS+ 111   8.82 +/- 0.59   0.009% *  0.0782% (0.24   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+ 102  12.16 +/- 1.15   0.001% *  0.1578% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+ 102  15.56 +/- 0.89   0.000% *  0.3129% (0.97   0.02   0.02) =   0.000%
          HB3   PRO   52 - HD2   LYS+ 111   9.94 +/- 0.99   0.005% *  0.0131% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD    LYS+  65  13.45 +/- 0.99   0.001% *  0.0791% (0.24   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD    LYS+ 102  18.32 +/- 0.80   0.000% *  0.2227% (0.69   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+  65  12.45 +/- 0.90   0.001% *  0.0126% (0.04   0.02   0.02) =   0.000%
        T QB    LYS+  65 - QD    LYS+ 102  21.35 +/- 0.63   0.000% *  0.3178% (0.98   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+  65  17.27 +/- 0.95   0.000% *  0.0756% (0.23   0.02   0.02) =   0.000%
        T HG2   PRO   93 - QD    LYS+ 102  22.01 +/- 0.60   0.000% *  0.2993% (0.92   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD    LYS+  65  16.12 +/- 0.75   0.000% *  0.0399% (0.12   0.02   0.02) =   0.000%
          QB    LYS+  66 - HD2   LYS+ 111  17.92 +/- 0.63   0.000% *  0.0582% (0.18   0.02   0.02) =   0.000%
        T QB    LYS+  65 - HD2   LYS+ 111  19.24 +/- 0.71   0.000% *  0.0831% (0.26   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QD    LYS+  65  20.88 +/- 0.72   0.000% *  0.0819% (0.25   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HD2   LYS+ 111  21.20 +/- 0.90   0.000% *  0.0848% (0.26   0.02   0.02) =   0.000%
        T HG    LEU  123 - QD    LYS+ 102  19.84 +/- 1.02   0.000% *  0.0500% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD    LYS+ 102  24.56 +/- 0.77   0.000% *  0.1578% (0.49   0.02   0.02) =   0.000%
        T HG    LEU  123 - HD2   LYS+ 111  17.40 +/- 1.27   0.000% *  0.0131% (0.04   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD2   LYS+ 111  19.80 +/- 1.02   0.000% *  0.0289% (0.09   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD    LYS+  65  21.07 +/- 0.67   0.000% *  0.0280% (0.09   0.02   0.02) =   0.000%
          HB2   LEU   71 - HD2   LYS+ 111  25.65 +/- 0.86   0.000% *  0.0818% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+  65  19.26 +/- 0.94   0.000% *  0.0126% (0.04   0.02   0.02) =   0.000%
        T HB    VAL   41 - HD2   LYS+ 111  23.40 +/- 0.76   0.000% *  0.0413% (0.13   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD    LYS+ 102  25.81 +/- 0.71   0.000% *  0.0500% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   17 - HD2   LYS+ 111  26.53 +/- 0.83   0.000% *  0.0413% (0.13   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 160.0:
    * O T HG2   LYS+ 102 - QD    LYS+ 102   2.20 +/- 0.08  93.740% * 95.3709% (1.00   4.42 160.03) =  99.996%  kept
          QB    ALA   61 - QD    LYS+  65   4.64 +/- 0.80   5.316% *  0.0574% (0.13   0.02   0.02) =   0.003%
          QG    LYS+  66 - QD    LYS+  65   5.25 +/- 0.44   0.543% *  0.0946% (0.22   0.02  27.59) =   0.001%
          QB    ALA  110 - HD2   LYS+ 111   6.31 +/- 0.57   0.251% *  0.0348% (0.08   0.02   9.10) =   0.000%
          HG    LEU   67 - QD    LYS+  65   9.10 +/- 1.39   0.039% *  0.0749% (0.17   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   LYS+ 111   8.68 +/- 0.55   0.026% *  0.0903% (0.21   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+ 102  11.37 +/- 0.94   0.006% *  0.3454% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+  65   8.92 +/- 0.67   0.023% *  0.0749% (0.17   0.02   0.02) =   0.000%
          HG    LEU  115 - HD2   LYS+ 111   8.43 +/- 1.03   0.036% *  0.0281% (0.07   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+ 102  16.06 +/- 0.63   0.001% *  0.4229% (0.98   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    LYS+  65  13.94 +/- 0.94   0.002% *  0.1069% (0.25   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    LYS+ 102  17.82 +/- 2.04   0.000% *  0.2963% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+  65  14.02 +/- 0.79   0.001% *  0.0873% (0.20   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    LYS+ 102  17.44 +/- 1.19   0.000% *  0.2963% (0.69   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    LYS+  65  14.74 +/- 1.06   0.001% *  0.0873% (0.20   0.02   0.02) =   0.000%
          QB    ALA  120 - HD2   LYS+ 111  12.19 +/- 0.85   0.003% *  0.0281% (0.07   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+  65  12.49 +/- 1.23   0.003% *  0.0272% (0.06   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+ 102  15.91 +/- 0.81   0.001% *  0.1076% (0.25   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD    LYS+ 102  19.21 +/- 0.60   0.000% *  0.3454% (0.80   0.02   0.02) =   0.000%
          QG    LYS+  66 - QD    LYS+ 102  19.88 +/- 0.78   0.000% *  0.3742% (0.87   0.02   0.02) =   0.000%
          QB    ALA  120 - QD    LYS+  65  13.17 +/- 0.69   0.002% *  0.0272% (0.06   0.02   0.02) =   0.000%
          QB    ALA   61 - HD2   LYS+ 111  15.34 +/- 0.49   0.001% *  0.0593% (0.14   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+  65  14.36 +/- 0.87   0.001% *  0.0337% (0.08   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+  65  14.15 +/- 1.10   0.001% *  0.0272% (0.06   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   LYS+ 111  17.71 +/- 0.68   0.000% *  0.0978% (0.23   0.02   0.02) =   0.000%
          QB    ALA   61 - QD    LYS+ 102  20.45 +/- 0.44   0.000% *  0.2270% (0.53   0.02   0.02) =   0.000%
          QB    ALA  110 - QD    LYS+ 102  19.66 +/- 0.44   0.000% *  0.1332% (0.31   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+ 102  21.09 +/- 0.96   0.000% *  0.1472% (0.34   0.02   0.02) =   0.000%
          HG    LEU  115 - QD    LYS+ 102  20.96 +/- 0.58   0.000% *  0.1076% (0.25   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    LYS+ 102  21.12 +/- 0.64   0.000% *  0.1076% (0.25   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   LYS+ 111  21.58 +/- 0.79   0.000% *  0.0903% (0.21   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   LYS+ 111  23.10 +/- 0.93   0.000% *  0.1105% (0.26   0.02   0.02) =   0.000%
          HG    LEU   67 - HD2   LYS+ 111  22.28 +/- 1.78   0.000% *  0.0775% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   LYS+ 111  22.29 +/- 0.76   0.000% *  0.0775% (0.18   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QD    LYS+  65  24.57 +/- 1.10   0.000% *  0.1090% (0.25   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    LYS+  65  20.79 +/- 1.30   0.000% *  0.0372% (0.09   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - HD2   LYS+ 111  25.68 +/- 1.39   0.000% *  0.1128% (0.26   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   LYS+ 111  24.62 +/- 0.93   0.000% *  0.0385% (0.09   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   LYS+ 111  27.28 +/- 0.69   0.000% *  0.0281% (0.07   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1241 (1.38, 1.68, 29.29 ppm):
    42 chemical-shift based assignments, quality = 0.829, support = 4.06, residual support = 160.4:
    * O T HG3   LYS+ 102 - QD    LYS+ 102   2.52 +/- 0.09  47.184% * 75.2494% (1.00   4.00 160.03) =  77.251%  kept
      O T HG3   LYS+  65 - QD    LYS+  65   2.48 +/- 0.14  52.340% * 19.9756% (0.25   4.29 161.77) =  22.748%  kept
          HB2   LYS+ 112 - HD2   LYS+ 111   6.10 +/- 0.61   0.270% *  0.0975% (0.26   0.02  25.46) =   0.001%
          QB    LEU   98 - QD    LYS+ 102   6.86 +/- 0.34   0.117% *  0.1283% (0.34   0.02   1.07) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+ 102   9.62 +/- 0.62   0.017% *  0.3559% (0.95   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   8.98 +/- 0.83   0.033% *  0.1046% (0.28   0.02   1.07) =   0.000%
          HB    VAL   42 - QD    LYS+  65  11.60 +/- 0.77   0.005% *  0.0932% (0.25   0.02   0.02) =   0.000%
        T HB3   PRO   93 - HD2   LYS+ 111  10.18 +/- 0.66   0.012% *  0.0404% (0.11   0.02   0.02) =   0.000%
          HB    VAL   42 - QD    LYS+ 102  14.81 +/- 0.57   0.001% *  0.3688% (0.98   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+  65  13.62 +/- 1.91   0.003% *  0.0577% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   73 - QD    LYS+  65  14.23 +/- 1.09   0.002% *  0.0949% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+ 102  17.63 +/- 0.80   0.000% *  0.3559% (0.95   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD    LYS+ 102  18.13 +/- 0.55   0.000% *  0.3754% (1.00   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HD2   LYS+ 111  14.80 +/- 0.76   0.001% *  0.0930% (0.25   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  15.98 +/- 0.76   0.001% *  0.1412% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+  65  12.14 +/- 1.36   0.005% *  0.0147% (0.04   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.13 +/- 0.66   0.003% *  0.0188% (0.05   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QD    LYS+  65  17.42 +/- 1.54   0.001% *  0.0900% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+  65  17.24 +/- 0.95   0.000% *  0.0943% (0.25   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  16.81 +/- 1.11   0.001% *  0.0745% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.92 +/- 0.83   0.001% *  0.0391% (0.10   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  16.46 +/- 0.97   0.001% *  0.0369% (0.10   0.02   0.02) =   0.000%
          HB    VAL   42 - HD2   LYS+ 111  19.18 +/- 0.67   0.000% *  0.0964% (0.26   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.73 +/- 0.57   0.000% *  0.1547% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD    LYS+ 102  24.51 +/- 0.50   0.000% *  0.3729% (0.99   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QD    LYS+ 102  24.71 +/- 0.80   0.000% *  0.3688% (0.98   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QD    LYS+  65  20.09 +/- 0.54   0.000% *  0.0900% (0.24   0.02   0.02) =   0.000%
          QB    ALA   12 - QD    LYS+ 102  24.40 +/- 2.17   0.000% *  0.2282% (0.61   0.02   0.02) =   0.000%
          QB    LEU   98 - QD    LYS+  65  17.26 +/- 0.68   0.000% *  0.0324% (0.09   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  18.52 +/- 0.77   0.000% *  0.0357% (0.09   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HD2   LYS+ 111  22.14 +/- 1.10   0.000% *  0.0964% (0.26   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 111  19.64 +/- 0.72   0.000% *  0.0336% (0.09   0.02   0.02) =   0.000%
        T HB3   LEU   73 - HD2   LYS+ 111  23.53 +/- 0.91   0.000% *  0.0981% (0.26   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    LYS+ 102  21.59 +/- 0.54   0.000% *  0.0581% (0.15   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  19.08 +/- 0.91   0.000% *  0.0264% (0.07   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QD    LYS+  65  24.66 +/- 1.00   0.000% *  0.0951% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HD2   LYS+ 111  25.29 +/- 1.50   0.000% *  0.0984% (0.26   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.64 +/- 1.43   0.000% *  0.0273% (0.07   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.85 +/- 1.35   0.000% *  0.0195% (0.05   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   LYS+ 111  21.40 +/- 0.84   0.000% *  0.0152% (0.04   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HD2   LYS+ 111  31.02 +/- 0.90   0.000% *  0.0930% (0.25   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 111  31.28 +/- 1.98   0.000% *  0.0597% (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 = 160.0:
    * O T QE    LYS+ 102 - QD    LYS+ 102   2.12 +/- 0.02  99.981% * 98.5454% (1.00   4.00 160.03) = 100.000%  kept
        T QE    LYS+  99 - QD    LYS+ 102   9.74 +/- 1.01   0.013% *  0.3385% (0.69   0.02   1.21) =   0.000%
        T QE    LYS+  38 - QD    LYS+ 102  11.55 +/- 1.43   0.005% *  0.4548% (0.92   0.02   0.02) =   0.000%
        T QE    LYS+  99 - QD    LYS+  65  14.88 +/- 0.66   0.001% *  0.0855% (0.17   0.02   0.02) =   0.000%
        T QE    LYS+  38 - QD    LYS+  65  21.26 +/- 1.01   0.000% *  0.1150% (0.23   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - HD2   LYS+ 111  22.25 +/- 1.31   0.000% *  0.1288% (0.26   0.02   0.02) =   0.000%
        T QE    LYS+ 102 - QD    LYS+  65  23.06 +/- 0.67   0.000% *  0.1245% (0.25   0.02   0.02) =   0.000%
        T QE    LYS+  99 - HD2   LYS+ 111  22.32 +/- 0.90   0.000% *  0.0885% (0.18   0.02   0.02) =   0.000%
        T QE    LYS+  38 - HD2   LYS+ 111  30.67 +/- 0.78   0.000% *  0.1189% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 160.0:
    *   T HA    LYS+ 102 - QE    LYS+ 102   2.91 +/- 0.29  99.867% * 97.7139% (1.00   5.05 160.03) = 100.000%  kept
        T HA    LYS+ 102 - QE    LYS+  99   9.50 +/- 0.27   0.098% *  0.2639% (0.68   0.02   1.21) =   0.000%
        T HA    LYS+ 102 - QE    LYS+  38  12.26 +/- 0.89   0.024% *  0.0886% (0.23   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  99  18.32 +/- 0.42   0.002% *  0.2204% (0.57   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+ 102  20.15 +/- 0.80   0.001% *  0.1883% (0.49   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+ 102  21.78 +/- 0.59   0.001% *  0.3232% (0.84   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  99  17.74 +/- 0.47   0.002% *  0.0522% (0.13   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  99  20.71 +/- 0.62   0.001% *  0.1284% (0.33   0.02   0.02) =   0.000%
          HA    CYS   21 - QE    LYS+  38  20.37 +/- 0.48   0.001% *  0.0740% (0.19   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  99  23.34 +/- 0.41   0.000% *  0.1183% (0.31   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+ 102  25.21 +/- 0.56   0.000% *  0.1735% (0.45   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+ 102  22.35 +/- 0.43   0.001% *  0.0766% (0.20   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+ 102  29.34 +/- 0.57   0.000% *  0.2503% (0.65   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  99  27.66 +/- 0.43   0.000% *  0.1707% (0.44   0.02   0.02) =   0.000%
          HA    ALA   20 - QE    LYS+  38  21.53 +/- 0.34   0.001% *  0.0175% (0.05   0.02   0.02) =   0.000%
          HA1   GLY  109 - QE    LYS+  38  27.79 +/- 0.66   0.000% *  0.0431% (0.11   0.02   0.02) =   0.000%
          HA    CYS   50 - QE    LYS+  38  29.53 +/- 0.39   0.000% *  0.0397% (0.10   0.02   0.02) =   0.000%
          HA    TRP   49 - QE    LYS+  38  33.24 +/- 0.56   0.000% *  0.0573% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 160.0:
    *   T QB    LYS+ 102 - QE    LYS+ 102   2.90 +/- 0.34  97.349% * 95.6460% (1.00   4.75 160.03) =  99.995%  kept
          HG12  ILE  103 - QE    LYS+ 102   6.26 +/- 0.47   1.227% *  0.1374% (0.34   0.02  22.69) =   0.002%
        T QB    LYS+ 102 - QE    LYS+  99   7.76 +/- 1.04   0.388% *  0.2748% (0.68   0.02   1.21) =   0.001%
          HB2   LEU   71 - QE    LYS+  99   7.86 +/- 0.65   0.358% *  0.2652% (0.66   0.02   0.02) =   0.001%
        T HB    VAL   41 - QE    LYS+  99   7.57 +/- 0.41   0.380% *  0.1337% (0.33   0.02   0.02) =   0.001%
          QB    LYS+  66 - QE    LYS+  99  10.55 +/- 0.79   0.051% *  0.1887% (0.47   0.02   0.02) =   0.000%
        T HB    VAL   41 - QE    LYS+ 102  11.83 +/- 1.24   0.031% *  0.1961% (0.49   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  99  10.18 +/- 0.52   0.059% *  0.0937% (0.23   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - QE    LYS+  38  10.83 +/- 1.44   0.051% *  0.0922% (0.23   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  99  13.49 +/- 0.52   0.011% *  0.2693% (0.67   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+  38  11.61 +/- 0.46   0.029% *  0.0890% (0.22   0.02   0.02) =   0.000%
          HB2   LEU   71 - QE    LYS+ 102  15.44 +/- 0.62   0.005% *  0.3888% (0.97   0.02   0.02) =   0.000%
        T HB    VAL   41 - QE    LYS+  38  11.48 +/- 0.36   0.029% *  0.0449% (0.11   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  99  15.77 +/- 0.72   0.005% *  0.1337% (0.33   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  99  13.23 +/- 0.90   0.013% *  0.0424% (0.11   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+ 102  18.64 +/- 0.82   0.002% *  0.2768% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+ 102  21.49 +/- 0.57   0.001% *  0.3949% (0.98   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+ 102  21.51 +/- 0.72   0.001% *  0.3719% (0.92   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  99  20.46 +/- 0.61   0.001% *  0.2537% (0.63   0.02   0.02) =   0.000%
          HG12  ILE  103 - QE    LYS+  38  14.62 +/- 0.75   0.007% *  0.0315% (0.08   0.02   0.02) =   0.000%
          QB    LYS+  66 - QE    LYS+  38  18.50 +/- 0.73   0.002% *  0.0634% (0.16   0.02   0.02) =   0.000%
          QB    LYS+  65 - QE    LYS+  38  20.46 +/- 0.70   0.001% *  0.0904% (0.22   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+ 102  24.46 +/- 0.60   0.000% *  0.1961% (0.49   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+ 102  20.37 +/- 1.24   0.001% *  0.0622% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   17 - QE    LYS+  38  20.64 +/- 1.13   0.001% *  0.0449% (0.11   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+ 102  25.27 +/- 0.77   0.000% *  0.0622% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  99  24.30 +/- 0.60   0.000% *  0.0424% (0.11   0.02   0.02) =   0.000%
          HG2   PRO   93 - QE    LYS+  38  27.74 +/- 0.39   0.000% *  0.0851% (0.21   0.02   0.02) =   0.000%
          HG    LEU  123 - QE    LYS+  38  22.98 +/- 0.88   0.000% *  0.0142% (0.04   0.02   0.02) =   0.000%
          HB3   PRO   52 - QE    LYS+  38  31.54 +/- 0.37   0.000% *  0.0142% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1246 (1.45, 3.02, 42.50 ppm):
    39 chemical-shift based assignments, quality = 0.975, support = 4.25, residual support = 151.8:
    * O T HG2   LYS+ 102 - QE    LYS+ 102   3.14 +/- 0.26  73.679% * 81.0950% (1.00   4.42 160.03) =  94.445%  kept
          HG    LEU   40 - QE    LYS+  99   3.98 +/- 0.65  25.010% * 14.0418% (0.55   1.40  12.71) =   5.551%  kept
          HB3   LEU   67 - QE    LYS+  99   7.90 +/- 1.17   0.486% *  0.1718% (0.47   0.02   0.02) =   0.001%
          HG    LEU   67 - QE    LYS+  99   8.37 +/- 1.57   0.400% *  0.1718% (0.47   0.02   0.02) =   0.001%
        T HG2   LYS+ 102 - QE    LYS+  99   9.36 +/- 1.23   0.157% *  0.2502% (0.68   0.02   1.21) =   0.001%
          HG    LEU   73 - QE    LYS+  99  10.83 +/- 0.44   0.045% *  0.2452% (0.67   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+ 102  11.60 +/- 0.69   0.030% *  0.2937% (0.80   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  99  12.29 +/- 0.83   0.024% *  0.2170% (0.59   0.02   0.02) =   0.000%
        T HG2   LYS+ 102 - QE    LYS+  38  11.35 +/- 1.79   0.053% *  0.0840% (0.23   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+ 102  15.62 +/- 0.55   0.005% *  0.3596% (0.98   0.02   0.02) =   0.000%
          HG    LEU   40 - QE    LYS+  38  12.23 +/- 0.51   0.021% *  0.0672% (0.18   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  99  12.30 +/- 0.55   0.022% *  0.0624% (0.17   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  99  14.55 +/- 0.44   0.008% *  0.1316% (0.36   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  99  15.97 +/- 0.70   0.005% *  0.2003% (0.55   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+ 102  17.67 +/- 1.03   0.003% *  0.2520% (0.69   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+ 102  18.09 +/- 1.85   0.002% *  0.2520% (0.69   0.02   0.02) =   0.000%
          HG    LEU   73 - QE    LYS+  38  14.58 +/- 0.21   0.007% *  0.0823% (0.22   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  99  14.23 +/- 0.55   0.009% *  0.0624% (0.17   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+ 102  19.13 +/- 0.91   0.002% *  0.2937% (0.80   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+ 102  16.35 +/- 1.04   0.004% *  0.0915% (0.25   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+ 102  20.15 +/- 0.82   0.001% *  0.3182% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   67 - QE    LYS+  38  15.93 +/- 0.87   0.005% *  0.0577% (0.16   0.02   0.02) =   0.000%
          HG    LEU   67 - QE    LYS+  38  16.55 +/- 0.93   0.004% *  0.0577% (0.16   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+ 102  20.36 +/- 0.50   0.001% *  0.1930% (0.53   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  99  17.38 +/- 0.96   0.003% *  0.0624% (0.17   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  99  18.05 +/- 0.48   0.002% *  0.0772% (0.21   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+ 102  19.31 +/- 0.61   0.001% *  0.1132% (0.31   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+ 102  20.08 +/- 0.93   0.001% *  0.1251% (0.34   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  99  19.98 +/- 0.81   0.001% *  0.0853% (0.23   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+ 102  20.75 +/- 0.62   0.001% *  0.0915% (0.25   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+ 102  20.94 +/- 0.89   0.001% *  0.0915% (0.25   0.02   0.02) =   0.000%
          QG    LYS+  66 - QE    LYS+  38  20.16 +/- 0.71   0.001% *  0.0728% (0.20   0.02   0.02) =   0.000%
          HG12  ILE   19 - QE    LYS+  38  16.74 +/- 0.52   0.003% *  0.0209% (0.06   0.02   0.02) =   0.000%
          QB    ALA   61 - QE    LYS+  38  20.82 +/- 0.45   0.001% *  0.0442% (0.12   0.02   0.02) =   0.000%
          QB    ALA  120 - QE    LYS+  38  20.41 +/- 0.70   0.001% *  0.0209% (0.06   0.02   0.02) =   0.000%
          HB3   LEU  115 - QE    LYS+  38  24.75 +/- 0.59   0.000% *  0.0672% (0.18   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    LYS+  38  21.82 +/- 1.16   0.001% *  0.0286% (0.08   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    LYS+  38  24.49 +/- 0.34   0.000% *  0.0259% (0.07   0.02   0.02) =   0.000%
          HG    LEU  115 - QE    LYS+  38  26.45 +/- 0.93   0.000% *  0.0209% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1247 (1.38, 3.02, 42.50 ppm):
    42 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 160.0:
    * O T HG3   LYS+ 102 - QE    LYS+ 102   2.22 +/- 0.20  99.438% * 92.3401% (1.00   4.00 160.03) =  99.999%  kept
          QB    LEU   98 - QE    LYS+ 102   6.44 +/- 0.33   0.206% *  0.1575% (0.34   0.02   1.07) =   0.000%
          HB    VAL   42 - QE    LYS+  99   8.33 +/- 0.60   0.045% *  0.3086% (0.67   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  99   6.97 +/- 0.19   0.123% *  0.1074% (0.23   0.02  15.78) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+ 102   9.36 +/- 0.82   0.023% *  0.4367% (0.95   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 102   8.40 +/- 0.48   0.042% *  0.1284% (0.28   0.02   1.07) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  99   9.85 +/- 0.90   0.015% *  0.3149% (0.68   0.02   1.21) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  99  11.34 +/- 1.26   0.011% *  0.2979% (0.65   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  99   9.18 +/- 0.68   0.030% *  0.0875% (0.19   0.02  15.78) =   0.000%
        T HG3   LYS+  33 - QE    LYS+  38  10.06 +/- 0.84   0.018% *  0.1000% (0.22   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  99  11.83 +/- 0.45   0.005% *  0.2979% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  99  13.37 +/- 0.41   0.003% *  0.3142% (0.68   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  99  10.65 +/- 1.08   0.012% *  0.0623% (0.13   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QE    LYS+  38  11.73 +/- 1.46   0.006% *  0.1057% (0.23   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+ 102  14.70 +/- 0.43   0.001% *  0.4526% (0.98   0.02   0.02) =   0.000%
          QB    LEU   98 - QE    LYS+  38  10.50 +/- 0.43   0.010% *  0.0361% (0.08   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  99  16.04 +/- 0.69   0.001% *  0.3086% (0.67   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QE    LYS+ 102  17.38 +/- 0.70   0.001% *  0.4367% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+ 102  17.57 +/- 0.47   0.000% *  0.4607% (1.00   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 102  15.09 +/- 0.60   0.001% *  0.1733% (0.38   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  99  17.32 +/- 1.95   0.001% *  0.1910% (0.41   0.02   0.02) =   0.000%
          HB    VAL   42 - QE    LYS+  38  15.65 +/- 0.32   0.001% *  0.1036% (0.22   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+  38  13.36 +/- 1.16   0.003% *  0.0294% (0.06   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  99  16.82 +/- 0.39   0.001% *  0.1182% (0.26   0.02   0.02) =   0.000%
          HB3   LEU   73 - QE    LYS+  38  16.60 +/- 0.39   0.001% *  0.1055% (0.23   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+  38  17.37 +/- 3.18   0.001% *  0.0641% (0.14   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 102  17.53 +/- 0.99   0.001% *  0.0914% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  99  18.73 +/- 0.57   0.000% *  0.1294% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  99  21.87 +/- 0.57   0.000% *  0.3121% (0.68   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+ 102  20.23 +/- 0.68   0.000% *  0.1898% (0.41   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  99  16.47 +/- 0.53   0.001% *  0.0486% (0.11   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - QE    LYS+  38  18.51 +/- 0.65   0.000% *  0.1000% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+ 102  24.42 +/- 0.93   0.000% *  0.4576% (0.99   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+ 102  24.76 +/- 0.70   0.000% *  0.4526% (0.98   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    LYS+ 102  24.21 +/- 2.35   0.000% *  0.2800% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+ 102  21.06 +/- 0.48   0.000% *  0.0712% (0.15   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+  38  19.54 +/- 0.69   0.000% *  0.0397% (0.09   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+  38  18.09 +/- 1.47   0.000% *  0.0209% (0.05   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QE    LYS+  38  23.35 +/- 0.97   0.000% *  0.1036% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QE    LYS+  38  21.12 +/- 0.27   0.000% *  0.0163% (0.04   0.02   0.02) =   0.000%
          HB3   PRO   93 - QE    LYS+  38  25.89 +/- 0.43   0.000% *  0.0434% (0.09   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    LYS+  38  30.83 +/- 0.48   0.000% *  0.1048% (0.23   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1248 (1.68, 3.02, 42.50 ppm):
    36 chemical-shift based assignments, quality = 0.781, support = 4.01, residual support = 168.2:
    * O T QD    LYS+ 102 - QE    LYS+ 102   2.12 +/- 0.02  31.975% * 71.3166% (1.00   4.00 160.03) =  73.642%  kept
      O   QD    LYS+  38 - QE    LYS+  38   2.10 +/- 0.03  34.017% * 12.2348% (0.18   3.74 209.68) =  13.440%  kept
      O T QD    LYS+  99 - QE    LYS+  99   2.10 +/- 0.03  33.946% * 11.7835% (0.15   4.35 171.63) =  12.918%  kept
          QD    LYS+  38 - QE    LYS+  99   7.41 +/- 0.71   0.022% *  0.1947% (0.55   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+ 102   8.14 +/- 0.91   0.014% *  0.0889% (0.25   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  99   9.74 +/- 1.01   0.004% *  0.2432% (0.68   0.02   1.21) =   0.000%
          QD    LYS+  38 - QE    LYS+ 102  10.78 +/- 1.01   0.002% *  0.2855% (0.80   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+ 102   8.96 +/- 0.77   0.007% *  0.0794% (0.22   0.02   1.21) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  99  10.46 +/- 1.16   0.003% *  0.1279% (0.36   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  99  12.75 +/- 0.87   0.001% *  0.2245% (0.63   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+  38  11.55 +/- 1.43   0.002% *  0.0816% (0.23   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 102  14.49 +/- 1.36   0.000% *  0.1876% (0.53   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QE    LYS+  38   9.63 +/- 0.82   0.004% *  0.0182% (0.05   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  99  12.76 +/- 0.49   0.001% *  0.1000% (0.28   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  99  11.77 +/- 0.51   0.001% *  0.0606% (0.17   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  99  14.88 +/- 0.66   0.000% *  0.1377% (0.39   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 102  17.39 +/- 0.87   0.000% *  0.2307% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 102  16.43 +/- 0.53   0.000% *  0.1466% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 102  19.73 +/- 1.33   0.000% *  0.3292% (0.92   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  99  19.20 +/- 0.47   0.000% *  0.1573% (0.44   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 102  22.52 +/- 0.68   0.000% *  0.3373% (0.95   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  99  21.18 +/- 0.57   0.000% *  0.2300% (0.65   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 102  20.98 +/- 1.12   0.000% *  0.2019% (0.57   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+ 102  22.25 +/- 1.31   0.000% *  0.2449% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+  38  16.50 +/- 0.29   0.000% *  0.0336% (0.09   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  99  22.32 +/- 0.90   0.000% *  0.1670% (0.47   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 102  23.06 +/- 0.67   0.000% *  0.2019% (0.57   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  99  21.69 +/- 0.53   0.000% *  0.1377% (0.39   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QE    LYS+  38  17.21 +/- 0.86   0.000% *  0.0204% (0.06   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+  38  19.94 +/- 1.22   0.000% *  0.0429% (0.12   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+  38  20.71 +/- 1.03   0.000% *  0.0528% (0.15   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+  38  22.47 +/- 1.14   0.000% *  0.0753% (0.21   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+  38  21.26 +/- 1.01   0.000% *  0.0462% (0.13   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+  38  28.26 +/- 0.39   0.000% *  0.0772% (0.22   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+  38  28.23 +/- 0.46   0.000% *  0.0462% (0.13   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QE    LYS+  38  30.67 +/- 0.78   0.000% *  0.0561% (0.16   0.02   0.02) =   0.000%
    Distance limit 2.57 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 = 0.652, support = 5.89, residual support = 139.1:
    * O T HB    ILE  103 - HA    ILE  103   2.95 +/- 0.02  21.100% * 80.1974% (1.00   5.76 139.10) =  56.591%  kept
      O T HG12  ILE  103 - HA    ILE  103   2.35 +/- 0.22  77.444% * 16.7587% (0.20   6.08 139.10) =  43.405%  kept
          QB    LYS+ 106 - HA    ILE  103   6.52 +/- 0.45   0.187% *  0.2232% (0.80   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HA    ILE  103   6.85 +/- 0.25   0.132% *  0.2762% (0.99   0.02   4.10) =   0.001%
          HB3   LYS+  38 - HA    THR   39   4.85 +/- 0.14   1.091% *  0.0230% (0.08   0.02  15.59) =   0.001%
          QB    LYS+  33 - HA    THR   39   9.20 +/- 0.64   0.024% *  0.0871% (0.31   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    THR   39  11.63 +/- 1.31   0.008% *  0.0919% (0.33   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ILE  103  15.24 +/- 0.43   0.001% *  0.2636% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ILE  103  13.03 +/- 0.76   0.003% *  0.0695% (0.25   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HA    THR   39  13.76 +/- 0.45   0.002% *  0.0913% (0.33   0.02   0.02) =   0.000%
        T HB    ILE  103 - HA    THR   39  14.43 +/- 0.45   0.002% *  0.0921% (0.33   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ILE  103  18.31 +/- 2.04   0.001% *  0.2781% (1.00   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ILE  103  18.32 +/- 0.70   0.000% *  0.2499% (0.90   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ILE  103  18.96 +/- 0.29   0.000% *  0.2328% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    THR   39  15.91 +/- 0.34   0.001% *  0.0737% (0.26   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    ILE  103  17.35 +/- 0.68   0.001% *  0.1146% (0.41   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    THR   39  12.98 +/- 0.46   0.003% *  0.0182% (0.07   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ILE  103  18.64 +/- 0.30   0.000% *  0.1046% (0.38   0.02   0.02) =   0.000%
          HG    LEU  123 - HA    THR   39  17.84 +/- 0.84   0.000% *  0.0379% (0.14   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ILE  103  25.59 +/- 0.63   0.000% *  0.2781% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ILE  103  22.37 +/- 0.35   0.000% *  0.1146% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    THR   39  24.42 +/- 0.33   0.000% *  0.0769% (0.28   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    THR   39  26.75 +/- 0.78   0.000% *  0.0826% (0.30   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    THR   39  23.82 +/- 0.43   0.000% *  0.0346% (0.12   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    THR   39  29.17 +/- 0.55   0.000% *  0.0919% (0.33   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    THR   39  28.74 +/- 0.39   0.000% *  0.0379% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 5.44, residual support = 139.1:
    * O T QG2   ILE  103 - HA    ILE  103   2.73 +/- 0.06  77.552% * 69.8023% (1.00   5.48 139.10) =  90.750%  kept
        T QD1   ILE  103 - HA    ILE  103   3.53 +/- 0.40  19.233% * 28.6585% (0.45   5.02 139.10) =   9.240%  kept
          QD2   LEU   40 - HA    ILE  103   5.08 +/- 0.25   1.913% *  0.2459% (0.97   0.02   0.02) =   0.008%
          QD2   LEU   40 - HA    THR   39   5.79 +/- 0.18   0.883% *  0.0812% (0.32   0.02  24.24) =   0.001%
          QD2   LEU   71 - HA    THR   39   7.49 +/- 0.92   0.286% *  0.0477% (0.19   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   8.89 +/- 0.82   0.073% *  0.0825% (0.32   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  11.44 +/- 1.52   0.020% *  0.2498% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  103  12.97 +/- 0.61   0.007% *  0.1443% (0.57   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  12.25 +/- 0.28   0.009% *  0.0842% (0.33   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  13.51 +/- 0.37   0.005% *  0.0708% (0.28   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    ILE  103  14.58 +/- 0.37   0.003% *  0.1048% (0.41   0.02   0.02) =   0.000%
        T QD1   ILE  103 - HA    THR   39  12.57 +/- 0.72   0.008% *  0.0377% (0.15   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  18.25 +/- 0.73   0.001% *  0.2498% (0.98   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  14.61 +/- 0.62   0.003% *  0.0234% (0.09   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  19.20 +/- 0.98   0.001% *  0.0825% (0.32   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    THR   39  18.05 +/- 0.47   0.001% *  0.0346% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 0.557, support = 5.27, residual support = 139.1:
      O T QG2   ILE  103 - HA    ILE  103   2.73 +/- 0.06  77.556% * 22.4990% (0.25   5.48 139.10) =  54.323%  kept
    *   T QD1   ILE  103 - HA    ILE  103   3.53 +/- 0.40  19.234% * 76.2764% (0.92   5.02 139.10) =  45.673%  kept
          QD2   LEU   40 - HA    ILE  103   5.08 +/- 0.25   1.913% *  0.0508% (0.15   0.02   0.02) =   0.003%
          QD2   LEU   71 - HA    THR   39   7.49 +/- 0.92   0.286% *  0.0909% (0.28   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    THR   39   5.79 +/- 0.18   0.883% *  0.0168% (0.05   0.02  24.24) =   0.000%
          QD2   LEU   71 - HA    ILE  103  12.97 +/- 0.61   0.007% *  0.2751% (0.84   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    ILE  103  13.51 +/- 0.37   0.005% *  0.3287% (1.00   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    THR   39   8.89 +/- 0.82   0.073% *  0.0191% (0.06   0.02   0.02) =   0.000%
          QD1   LEU   67 - HA    ILE  103  11.44 +/- 1.52   0.020% *  0.0577% (0.18   0.02   0.02) =   0.000%
        T QD1   ILE  103 - HA    THR   39  12.57 +/- 0.72   0.008% *  0.1005% (0.30   0.02   0.02) =   0.000%
          QG2   ILE  119 - HA    THR   39  14.61 +/- 0.62   0.003% *  0.1086% (0.33   0.02   0.02) =   0.000%
        T QG2   ILE  103 - HA    THR   39  12.25 +/- 0.28   0.009% *  0.0271% (0.08   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  103  18.25 +/- 0.73   0.001% *  0.1124% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    THR   39  19.20 +/- 0.98   0.001% *  0.0371% (0.11   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 5.76, residual support = 139.1:
    * O T HA    ILE  103 - HB    ILE  103   2.95 +/- 0.02  99.958% * 97.5985% (1.00   5.76 139.10) = 100.000%  kept
          HA    ASP-  44 - HB    ILE  103  13.25 +/- 0.42   0.012% *  0.3208% (0.95   0.02   0.02) =   0.000%
          HA    SER   85 - HB    ILE  103  15.16 +/- 0.51   0.006% *  0.3324% (0.98   0.02   0.02) =   0.000%
        T HA    THR   39 - HB    ILE  103  14.43 +/- 0.45   0.007% *  0.2463% (0.73   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB    ILE  103  13.13 +/- 0.52   0.013% *  0.0943% (0.28   0.02   0.02) =   0.000%
          HB    THR   77 - HB    ILE  103  18.95 +/- 0.55   0.001% *  0.3324% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  79 - HB    ILE  103  22.92 +/- 0.50   0.000% *  0.2716% (0.80   0.02   0.02) =   0.000%
          HA    ALA   57 - HB    ILE  103  21.01 +/- 0.34   0.001% *  0.1047% (0.31   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB    ILE  103  26.43 +/- 0.40   0.000% *  0.2057% (0.61   0.02   0.02) =   0.000%
          HA    MET   11 - HB    ILE  103  31.93 +/- 3.44   0.000% *  0.3131% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB    ILE  103  26.68 +/- 1.53   0.000% *  0.0755% (0.22   0.02   0.02) =   0.000%
          HA    ALA   12 - HB    ILE  103  30.70 +/- 2.61   0.000% *  0.1047% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.87, support = 4.94, residual support = 139.1:
    * O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.01  57.731% * 69.4510% (1.00   5.00 139.10) =  76.360%  kept
      O T QD1   ILE  103 - HB    ILE  103   2.26 +/- 0.24  42.236% * 29.3886% (0.45   4.72 139.10) =  23.640%  kept
          QD2   LEU   40 - HB    ILE  103   7.50 +/- 0.26   0.031% *  0.2679% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  13.66 +/- 1.59   0.001% *  0.2721% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  15.21 +/- 0.63   0.000% *  0.1571% (0.57   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  103  15.64 +/- 0.45   0.000% *  0.1141% (0.41   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  15.07 +/- 0.41   0.000% *  0.0772% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  19.91 +/- 0.64   0.000% *  0.2721% (0.98   0.02   0.02) =   0.000%
    Distance limit 2.73 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 = 0.734, support = 4.8, residual support = 139.1:
    * O T QD1   ILE  103 - HB    ILE  103   2.26 +/- 0.24  42.237% * 77.0609% (0.92   4.72 139.10) =  71.881%  kept
      O T QG2   ILE  103 - HB    ILE  103   2.12 +/- 0.01  57.731% * 22.0541% (0.25   5.00 139.10) =  28.119%  kept
          QD2   LEU   40 - HB    ILE  103   7.50 +/- 0.26   0.031% *  0.0545% (0.15   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB    ILE  103  15.07 +/- 0.41   0.000% *  0.3527% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  103  15.21 +/- 0.63   0.000% *  0.2952% (0.84   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB    ILE  103  13.66 +/- 1.59   0.001% *  0.0619% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  103  19.91 +/- 0.64   0.000% *  0.1206% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.73 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 = 5.48, residual support = 139.1:
    * O T HA    ILE  103 - QG2   ILE  103   2.73 +/- 0.06  99.906% * 97.4802% (1.00   5.48 139.10) = 100.000%  kept
          HA    ASP-  44 - QG2   ILE  103   9.89 +/- 0.37   0.046% *  0.3366% (0.95   0.02   0.02) =   0.000%
          HA    SER   85 - QG2   ILE  103  12.64 +/- 0.48   0.010% *  0.3488% (0.98   0.02   0.02) =   0.000%
        T HA    THR   39 - QG2   ILE  103  12.25 +/- 0.28   0.012% *  0.2584% (0.73   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   ILE  103  11.56 +/- 0.43   0.018% *  0.0989% (0.28   0.02   0.02) =   0.000%
          HB    THR   77 - QG2   ILE  103  15.12 +/- 0.44   0.004% *  0.3488% (0.98   0.02   0.02) =   0.000%
          HA    ALA   57 - QG2   ILE  103  15.98 +/- 0.30   0.003% *  0.1098% (0.31   0.02   0.02) =   0.000%
          HA    GLU-  79 - QG2   ILE  103  18.92 +/- 0.37   0.001% *  0.2849% (0.80   0.02   0.02) =   0.000%
          HA1   GLY   51 - QG2   ILE  103  20.60 +/- 0.31   0.001% *  0.2158% (0.61   0.02   0.02) =   0.000%
          HA    MET   11 - QG2   ILE  103  26.68 +/- 2.61   0.000% *  0.3285% (0.92   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   ILE  103  21.88 +/- 1.23   0.000% *  0.0792% (0.22   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   ILE  103  25.46 +/- 1.94   0.000% *  0.1098% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 5.0, residual support = 139.0:
    * O T HB    ILE  103 - QG2   ILE  103   2.12 +/- 0.01  83.142% * 96.8606% (1.00   5.00 139.10) =  99.957%  kept
          QB    LYS+ 106 - QG2   ILE  103   3.36 +/- 0.52   8.476% *  0.3100% (0.80   0.02   0.02) =   0.033%
      O T HG12  ILE  103 - QG2   ILE  103   3.15 +/- 0.12   7.853% *  0.0766% (0.20   0.02 139.10) =   0.007%
          HB3   ASP- 105 - QG2   ILE  103   4.98 +/- 0.30   0.522% *  0.3837% (0.99   0.02   4.10) =   0.002%
          HB3   GLN   90 - QG2   ILE  103  14.03 +/- 0.61   0.001% *  0.3471% (0.90   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   ILE  103  14.86 +/- 0.35   0.001% *  0.3662% (0.95   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG2   ILE  103  16.68 +/- 1.79   0.000% *  0.3862% (1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   ILE  103  15.52 +/- 0.35   0.001% *  0.3233% (0.84   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   ILE  103  14.32 +/- 0.62   0.001% *  0.1591% (0.41   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   ILE  103  13.53 +/- 0.63   0.001% *  0.0965% (0.25   0.02   0.02) =   0.000%
          HB    ILE   56 - QG2   ILE  103  14.48 +/- 0.33   0.001% *  0.1453% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   ILE  103  17.26 +/- 0.41   0.000% *  0.1591% (0.41   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   ILE  103  20.55 +/- 0.66   0.000% *  0.3862% (1.00   0.02   0.02) =   0.000%
    Distance limit 2.74 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 = 5.02, residual support = 139.1:
    *   T HA    ILE  103 - QD1   ILE  103   3.53 +/- 0.40  98.940% * 97.2548% (0.92   5.02 139.10) =  99.997%  kept
          HA    ASP-  44 - QD1   ILE  103   9.63 +/- 0.60   0.285% *  0.3667% (0.87   0.02   0.02) =   0.001%
          HA    SER   85 - QD1   ILE  103  10.46 +/- 0.47   0.179% *  0.3800% (0.90   0.02   0.02) =   0.001%
          HA    ASP-  86 - QD1   ILE  103   8.89 +/- 0.55   0.482% *  0.1078% (0.26   0.02   0.02) =   0.001%
        T HA    THR   39 - QD1   ILE  103  12.57 +/- 0.72   0.051% *  0.2815% (0.67   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   ILE  103  13.71 +/- 0.58   0.035% *  0.3800% (0.90   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD1   ILE  103  16.94 +/- 0.47   0.009% *  0.3104% (0.74   0.02   0.02) =   0.000%
          HA    ALA   57 - QD1   ILE  103  16.44 +/- 0.63   0.011% *  0.1197% (0.28   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD1   ILE  103  20.48 +/- 0.65   0.003% *  0.2351% (0.56   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   ILE  103  26.01 +/- 2.95   0.001% *  0.3579% (0.85   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   ILE  103  21.59 +/- 1.30   0.002% *  0.0863% (0.21   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   ILE  103  24.98 +/- 2.01   0.001% *  0.1197% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.777, support = 4.7, residual support = 139.1:
    * O T HB    ILE  103 - QD1   ILE  103   2.26 +/- 0.24  43.138% * 81.4988% (0.92   4.72 139.10) =  80.249%  kept
      O T HG12  ILE  103 - QD1   ILE  103   2.15 +/- 0.01  54.831% * 15.7709% (0.18   4.62 139.10) =  19.739%  kept
          QB    LYS+ 106 - QD1   ILE  103   4.34 +/- 0.74   1.986% *  0.2763% (0.74   0.02   0.02) =   0.013%
          HB3   ASP- 105 - QD1   ILE  103   7.50 +/- 0.60   0.040% *  0.3420% (0.91   0.02   4.10) =   0.000%
          HB3   GLN   90 - QD1   ILE  103  12.53 +/- 0.72   0.002% *  0.3095% (0.83   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE  103  13.83 +/- 0.60   0.001% *  0.3264% (0.87   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE  103  13.54 +/- 0.37   0.001% *  0.2882% (0.77   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE  103  13.40 +/- 1.16   0.001% *  0.0860% (0.23   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD1   ILE  103  18.06 +/- 1.91   0.000% *  0.3443% (0.92   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   ILE  103  15.15 +/- 0.79   0.000% *  0.1295% (0.35   0.02   0.02) =   0.000%
          HG    LEU  123 - QD1   ILE  103  16.70 +/- 0.77   0.000% *  0.1419% (0.38   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   ILE  103  17.47 +/- 0.71   0.000% *  0.1419% (0.38   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   ILE  103  20.87 +/- 0.88   0.000% *  0.3443% (0.92   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1264 (0.98, 0.96, 13.94 ppm):
    1 diagonal assignment:
          QD1   ILE  103 - QD1   ILE  103  (0.41)  kept
    Reference assignment not found: QG2   ILE  103 - QD1   ILE  103
 
    Peak 1265 (0.96, 0.96, 13.94 ppm):
    1 diagonal assignment:
    *     QD1   ILE  103 - QD1   ILE  103  (0.85)  kept
 
    Peak 1266 (4.32, 4.32, 55.17 ppm):
    1 diagonal assignment:
    *     HA    LEU  104 - HA    LEU  104  (1.00)  kept
 
    Peak 1267 (1.04, 4.32, 55.17 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.98, residual support = 219.3:
    * O T HB2   LEU  104 - HA    LEU  104   3.02 +/- 0.00  99.924% * 99.1464% (0.87   5.98 219.26) = 100.000%  kept
          QG2   VAL  108 - HA    LEU  104  11.16 +/- 0.59   0.041% *  0.3690% (0.96   0.02   0.02) =   0.000%
          QD1   ILE  119 - HA    LEU  104  12.72 +/- 1.02   0.023% *  0.2165% (0.56   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    LEU  104  13.75 +/- 0.62   0.012% *  0.0670% (0.17   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    LEU  104  21.21 +/- 0.54   0.001% *  0.2012% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1268 (0.86, 4.32, 55.17 ppm):
    6 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 219.3:
    * O T HB3   LEU  104 - HA    LEU  104   2.48 +/- 0.05  99.952% * 97.9440% (0.76   5.31 219.26) = 100.000%  kept
          QG1   VAL   70 - HA    LEU  104   9.74 +/- 0.51   0.029% *  0.4663% (0.96   0.02   0.02) =   0.000%
          QD1   LEU  123 - HA    LEU  104  11.60 +/- 0.53   0.010% *  0.4789% (0.99   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  104  14.03 +/- 0.64   0.003% *  0.4789% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   63 - HA    LEU  104  13.31 +/- 0.54   0.004% *  0.1986% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  104  16.35 +/- 0.88   0.001% *  0.4333% (0.89   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 5.83, residual support = 219.3:
    * O T HG    LEU  104 - HA    LEU  104   3.34 +/- 0.21  98.652% * 98.3922% (1.00   5.83 219.26) =  99.997%  kept
          HB3   LYS+ 121 - HA    LEU  104   8.34 +/- 0.76   0.493% *  0.3375% (1.00   0.02   0.02) =   0.002%
          HD2   LYS+ 121 - HA    LEU  104   8.25 +/- 1.23   0.833% *  0.1042% (0.31   0.02   0.02) =   0.001%
          HB3   LYS+ 111 - HA    LEU  104  16.59 +/- 0.28   0.007% *  0.3309% (0.98   0.02   0.02) =   0.000%
          QD    LYS+  66 - HA    LEU  104  17.28 +/- 0.74   0.006% *  0.2319% (0.69   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LEU  104  20.14 +/- 0.73   0.002% *  0.3257% (0.96   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HA    LEU  104  18.99 +/- 1.24   0.003% *  0.1267% (0.37   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LEU  104  19.13 +/- 0.56   0.003% *  0.0668% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  104  21.09 +/- 0.57   0.002% *  0.0842% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1270 (0.60, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 219.3:
    *   T QD1   LEU  104 - HA    LEU  104   3.63 +/- 0.10  99.658% * 98.6497% (0.96   5.31 219.26) =  99.999%  kept
        T QD1   LEU   63 - HA    LEU  104  10.17 +/- 0.31   0.213% *  0.1584% (0.41   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU  104  13.14 +/- 0.57   0.047% *  0.2945% (0.76   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HA    LEU  104  13.49 +/- 0.44   0.039% *  0.1584% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  104  17.24 +/- 0.48   0.009% *  0.3343% (0.87   0.02   0.02) =   0.000%
          QG2   ILE   89 - HA    LEU  104  14.13 +/- 0.27   0.029% *  0.0961% (0.25   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  104  18.50 +/- 0.86   0.006% *  0.3086% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 1 structures by 0.14 A, kept.
 
    Peak 1271 (0.73, 4.32, 55.17 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 5.97, residual support = 219.3:
    *   T QD2   LEU  104 - HA    LEU  104   2.03 +/- 0.33  99.765% * 98.9832% (1.00   5.97 219.26) = 100.000%  kept
        T QD1   LEU   98 - HA    LEU  104   6.35 +/- 0.44   0.202% *  0.1024% (0.31   0.02   4.66) =   0.000%
          QG1   VAL   43 - HA    LEU  104   9.62 +/- 0.52   0.015% *  0.1131% (0.34   0.02   0.02) =   0.000%
        T QG1   VAL   41 - HA    LEU  104   9.40 +/- 0.37   0.017% *  0.0656% (0.20   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HA    LEU  104  15.83 +/- 0.42   0.001% *  0.1878% (0.56   0.02   0.02) =   0.000%
          QD1   ILE   19 - HA    LEU  104  18.67 +/- 0.36   0.000% *  0.3201% (0.96   0.02   0.02) =   0.000%
          QG2   THR   46 - HA    LEU  104  18.50 +/- 0.45   0.000% *  0.2278% (0.69   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 1 structures by 0.02 A, kept.
 
    Peak 1272 (4.32, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.866, support = 5.98, residual support = 219.3:
    * O T HA    LEU  104 - HB2   LEU  104   3.02 +/- 0.00  99.986% * 99.1536% (0.87   5.98 219.26) = 100.000%  kept
          HA    TRP   87 - HB2   LEU  104  13.83 +/- 0.38   0.011% *  0.1490% (0.39   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB2   LEU  104  18.25 +/- 0.42   0.002% *  0.2283% (0.60   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB2   LEU  104  22.93 +/- 1.37   0.001% *  0.2540% (0.66   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   LEU  104  27.22 +/- 2.25   0.000% *  0.2150% (0.56   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 5.42, residual support = 219.3:
    * O T HB3   LEU  104 - HB2   LEU  104   1.75 +/- 0.00  99.975% * 97.9873% (0.66   5.42 219.26) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU  104   7.50 +/- 0.50   0.018% *  0.4565% (0.84   0.02   0.02) =   0.000%
          QD1   LEU  123 - HB2   LEU  104   9.87 +/- 0.60   0.003% *  0.4688% (0.86   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  104  10.41 +/- 0.54   0.002% *  0.1945% (0.36   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  104  12.09 +/- 0.67   0.001% *  0.4688% (0.86   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  104  14.02 +/- 0.90   0.000% *  0.4242% (0.78   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1275 (1.53, 1.04, 43.48 ppm):
    9 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 219.3:
    * O T HG    LEU  104 - HB2   LEU  104   2.36 +/- 0.19  99.406% * 98.4370% (0.87   6.00 219.26) =  99.999%  kept
          HB3   LYS+ 121 - HB2   LEU  104   7.19 +/- 0.77   0.197% *  0.3281% (0.87   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - HB2   LEU  104   7.84 +/- 1.32   0.391% *  0.1013% (0.27   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LEU  104  15.67 +/- 0.38   0.001% *  0.3216% (0.85   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB2   LEU  104  14.93 +/- 0.75   0.002% *  0.2254% (0.60   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB2   LEU  104  17.67 +/- 0.74   0.001% *  0.3167% (0.84   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB2   LEU  104  16.91 +/- 1.35   0.001% *  0.1231% (0.33   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  104  17.32 +/- 0.58   0.001% *  0.0649% (0.17   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  104  18.12 +/- 0.57   0.001% *  0.0818% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 5.42, residual support = 219.3:
    * O T QD1   LEU  104 - HB2   LEU  104   2.59 +/- 0.16  99.834% * 98.6783% (0.84   5.42 219.26) = 100.000%  kept
        T QD1   LEU   63 - HB2   LEU  104   7.93 +/- 0.36   0.130% *  0.1551% (0.36   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LEU  104  11.49 +/- 0.58   0.014% *  0.2883% (0.66   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LEU  104  11.69 +/- 0.44   0.013% *  0.1551% (0.36   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   LEU  104  13.11 +/- 0.32   0.006% *  0.0941% (0.22   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  104  16.39 +/- 0.57   0.002% *  0.3272% (0.75   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  104  17.12 +/- 0.85   0.001% *  0.3020% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1277 (0.73, 1.04, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 6.26, residual support = 219.2:
    * O T QD2   LEU  104 - HB2   LEU  104   3.11 +/- 0.20  96.234% * 99.0307% (0.87   6.26 219.26) =  99.996%  kept
          QD1   LEU   98 - HB2   LEU  104   5.84 +/- 0.69   2.952% *  0.0976% (0.27   0.02   4.66) =   0.003%
          QG1   VAL   43 - HB2   LEU  104   8.02 +/- 0.53   0.373% *  0.1078% (0.30   0.02   0.02) =   0.000%
        T QG1   VAL   41 - HB2   LEU  104   7.87 +/- 0.42   0.417% *  0.0626% (0.17   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB2   LEU  104  13.41 +/- 0.43   0.016% *  0.1790% (0.49   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB2   LEU  104  16.57 +/- 0.40   0.004% *  0.3051% (0.84   0.02   0.02) =   0.000%
          QG2   THR   46 - HB2   LEU  104  16.66 +/- 0.51   0.004% *  0.2172% (0.60   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1278 (4.32, 0.86, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.763, support = 5.31, residual support = 219.3:
    * O T HA    LEU  104 - HB3   LEU  104   2.48 +/- 0.05  99.998% * 99.0471% (0.76   5.31 219.26) = 100.000%  kept
          HA    TRP   87 - HB3   LEU  104  15.25 +/- 0.37   0.002% *  0.1678% (0.34   0.02   0.02) =   0.000%
          HA    ASP-  86 - HB3   LEU  104  19.61 +/- 0.42   0.000% *  0.2571% (0.52   0.02   0.02) =   0.000%
          HA    GLU-  14 - HB3   LEU  104  24.11 +/- 1.36   0.000% *  0.2860% (0.58   0.02   0.02) =   0.000%
          HA    ALA   12 - HB3   LEU  104  28.33 +/- 2.28   0.000% *  0.2421% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 5.42, residual support = 219.3:
    * O T HB2   LEU  104 - HB3   LEU  104   1.75 +/- 0.00  99.996% * 99.0595% (0.66   5.42 219.26) = 100.000%  kept
          QG2   VAL  108 - HB3   LEU  104  11.61 +/- 0.60   0.001% *  0.4066% (0.74   0.02   0.02) =   0.000%
          QD1   ILE  119 - HB3   LEU  104  11.19 +/- 0.99   0.002% *  0.2385% (0.43   0.02   0.02) =   0.000%
          HG    LEU   63 - HB3   LEU  104  11.74 +/- 0.66   0.001% *  0.0738% (0.13   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB3   LEU  104  20.02 +/- 0.52   0.000% *  0.2216% (0.40   0.02   0.02) =   0.000%
    Distance limit 2.56 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 = 5.27, residual support = 219.2:
    * O T HG    LEU  104 - HB3   LEU  104   2.96 +/- 0.10  96.808% * 98.2236% (0.76   5.27 219.26) =  99.993%  kept
          HB3   LYS+ 121 - HB3   LEU  104   6.59 +/- 0.82   1.094% *  0.3729% (0.76   0.02   0.02) =   0.004%
          HD2   LYS+ 121 - HB3   LEU  104   6.84 +/- 1.39   2.082% *  0.1151% (0.24   0.02   0.02) =   0.003%
          QD    LYS+  66 - HB3   LEU  104  15.14 +/- 0.73   0.006% *  0.2562% (0.52   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB3   LEU  104  16.20 +/- 0.33   0.004% *  0.3656% (0.75   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HB3   LEU  104  19.20 +/- 0.75   0.001% *  0.3599% (0.74   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HB3   LEU  104  18.22 +/- 1.38   0.002% *  0.1400% (0.29   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LEU  104  19.02 +/- 0.59   0.001% *  0.0930% (0.19   0.02   0.02) =   0.000%
          QG2   THR   26 - HB3   LEU  104  18.72 +/- 0.59   0.002% *  0.0738% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1282 (0.60, 0.86, 43.48 ppm):
    7 chemical-shift based assignments, quality = 0.738, support = 5.0, residual support = 219.3:
    * O T QD1   LEU  104 - HB3   LEU  104   2.19 +/- 0.15  99.961% * 98.5685% (0.74   5.00 219.26) = 100.000%  kept
        T QD1   LEU   63 - HB3   LEU  104   8.69 +/- 0.33   0.029% *  0.1680% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU  104  11.83 +/- 0.53   0.005% *  0.3122% (0.58   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB3   LEU  104  13.07 +/- 0.44   0.003% *  0.1680% (0.31   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB3   LEU  104  14.35 +/- 0.29   0.001% *  0.1019% (0.19   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LEU  104  17.76 +/- 0.55   0.000% *  0.3544% (0.66   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  104  18.57 +/- 0.85   0.000% *  0.3271% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 5.47, residual support = 219.3:
    * O T QD2   LEU  104 - HB3   LEU  104   2.68 +/- 0.19  99.475% * 98.8906% (0.76   5.47 219.26) =  99.999%  kept
          QD1   LEU   98 - HB3   LEU  104   7.07 +/- 0.60   0.384% *  0.1117% (0.24   0.02   4.66) =   0.000%
          QG1   VAL   43 - HB3   LEU  104   9.48 +/- 0.52   0.059% *  0.1234% (0.26   0.02   0.02) =   0.000%
        T QG1   VAL   41 - HB3   LEU  104   9.03 +/- 0.41   0.076% *  0.0716% (0.15   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HB3   LEU  104  14.51 +/- 0.46   0.004% *  0.2049% (0.43   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB3   LEU  104  17.87 +/- 0.43   0.001% *  0.3492% (0.74   0.02   0.02) =   0.000%
          QG2   THR   46 - HB3   LEU  104  17.96 +/- 0.52   0.001% *  0.2486% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 5.83, residual support = 219.3:
    * O T HA    LEU  104 - HG    LEU  104   3.34 +/- 0.21  99.975% * 99.1321% (1.00   5.83 219.26) = 100.000%  kept
          HA    TRP   87 - HG    LEU  104  14.02 +/- 0.41   0.020% *  0.1528% (0.45   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG    LEU  104  18.26 +/- 0.43   0.004% *  0.2341% (0.69   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG    LEU  104  22.72 +/- 1.50   0.001% *  0.2605% (0.76   0.02   0.02) =   0.000%
          HA    ALA   12 - HG    LEU  104  26.71 +/- 2.53   0.000% *  0.2205% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1285 (1.04, 1.53, 26.82 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 6.0, residual support = 219.3:
    * O T HB2   LEU  104 - HG    LEU  104   2.36 +/- 0.19  99.982% * 99.1494% (0.87   6.00 219.26) = 100.000%  kept
          QG2   VAL  108 - HG    LEU  104  12.33 +/- 0.71   0.005% *  0.3677% (0.97   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU  104  12.48 +/- 0.90   0.008% *  0.2157% (0.57   0.02   0.02) =   0.000%
          HG    LEU   63 - HG    LEU  104  12.74 +/- 0.81   0.005% *  0.0667% (0.18   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HG    LEU  104  21.73 +/- 0.54   0.000% *  0.2005% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 5.27, residual support = 219.3:
    * O T HB3   LEU  104 - HG    LEU  104   2.96 +/- 0.10  99.461% * 97.9296% (0.76   5.27 219.26) =  99.997%  kept
          QG1   VAL   70 - HG    LEU  104   7.50 +/- 0.59   0.433% *  0.4695% (0.97   0.02   0.02) =   0.002%
          QD1   LEU  123 - HG    LEU  104  11.17 +/- 0.63   0.036% *  0.4822% (0.99   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  104  11.40 +/- 0.80   0.034% *  0.4822% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  104  11.77 +/- 0.62   0.027% *  0.2000% (0.41   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  104  14.66 +/- 1.05   0.008% *  0.4363% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 5.27, residual support = 219.3:
    * O T QD1   LEU  104 - HG    LEU  104   2.12 +/- 0.01  99.978% * 98.6402% (0.97   5.27 219.26) = 100.000%  kept
        T QD1   LEU   63 - HG    LEU  104   9.41 +/- 0.48   0.014% *  0.1595% (0.41   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HG    LEU  104  11.36 +/- 0.59   0.004% *  0.1595% (0.41   0.02   0.02) =   0.000%
          QD2   LEU  115 - HG    LEU  104  13.33 +/- 0.54   0.002% *  0.2966% (0.76   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  104  16.17 +/- 0.57   0.001% *  0.3366% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  104  17.16 +/- 0.99   0.000% *  0.3107% (0.80   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG    LEU  104  14.03 +/- 0.39   0.001% *  0.0968% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 5.92, residual support = 219.3:
    * O T QD2   LEU  104 - HG    LEU  104   2.13 +/- 0.01  99.529% * 98.9754% (1.00   5.92 219.26) = 100.000%  kept
          QD1   LEU   98 - HG    LEU  104   5.61 +/- 0.44   0.336% *  0.1032% (0.31   0.02   4.66) =   0.000%
        T QG1   VAL   41 - HG    LEU  104   6.89 +/- 0.52   0.098% *  0.0661% (0.20   0.02   0.02) =   0.000%
          QG1   VAL   43 - HG    LEU  104   8.15 +/- 0.58   0.035% *  0.1140% (0.34   0.02   0.02) =   0.000%
        T QG2   VAL   18 - HG    LEU  104  14.16 +/- 0.54   0.001% *  0.1892% (0.57   0.02   0.02) =   0.000%
          QD1   ILE   19 - HG    LEU  104  16.43 +/- 0.55   0.000% *  0.3225% (0.97   0.02   0.02) =   0.000%
          QG2   THR   46 - HG    LEU  104  17.57 +/- 0.59   0.000% *  0.2296% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1290 (4.32, 0.60, 26.08 ppm):
    15 chemical-shift based assignments, quality = 0.963, support = 5.31, residual support = 219.3:
    *   T HA    LEU  104 - QD1   LEU  104   3.63 +/- 0.10  99.149% * 98.5655% (0.96   5.31 219.26) =  99.999%  kept
        T HA    LEU  104 - QD1   LEU   63  10.17 +/- 0.31   0.212% *  0.0684% (0.18   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   73  11.33 +/- 1.64   0.177% *  0.0524% (0.14   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU  104  13.52 +/- 0.47   0.040% *  0.1670% (0.43   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   73  10.30 +/- 0.52   0.204% *  0.0308% (0.08   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   73  12.71 +/- 0.50   0.056% *  0.0471% (0.12   0.02   0.02) =   0.000%
        T HA    LEU  104 - QD1   LEU   73  13.49 +/- 0.44   0.039% *  0.0684% (0.18   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU  104  17.10 +/- 0.48   0.010% *  0.2558% (0.66   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   73  14.65 +/- 2.42   0.039% *  0.0444% (0.11   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU  104  18.76 +/- 1.09   0.006% *  0.2846% (0.74   0.02   0.02) =   0.000%
          HA    TRP   87 - QD1   LEU   63  13.65 +/- 0.45   0.036% *  0.0308% (0.08   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   63  15.66 +/- 0.95   0.017% *  0.0524% (0.14   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU  104  22.08 +/- 2.09   0.002% *  0.2409% (0.62   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD1   LEU   63  17.32 +/- 0.43   0.009% *  0.0471% (0.12   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   63  20.08 +/- 1.06   0.004% *  0.0444% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 0.745, support = 5.45, residual support = 222.2:
    * O T HB2   LEU  104 - QD1   LEU  104   2.59 +/- 0.16  19.985% * 94.9682% (0.84   5.42 219.26) =  88.529%  kept
      O T HG    LEU   63 - QD1   LEU   63   2.09 +/- 0.01  66.639% *  3.6820% (0.03   5.65 245.20) =  11.445%  kept
        T QD1   ILE  119 - QD1   LEU   63   3.09 +/- 0.73  13.310% *  0.0421% (0.10   0.02   0.02) =   0.026%
        T QD1   ILE  119 - QD1   LEU  104   9.97 +/- 0.84   0.007% *  0.2287% (0.55   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   63   7.93 +/- 0.36   0.024% *  0.0645% (0.15   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU  104  11.22 +/- 0.47   0.003% *  0.3898% (0.93   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   63   8.92 +/- 0.49   0.012% *  0.0718% (0.17   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU  104  10.07 +/- 0.76   0.006% *  0.0707% (0.17   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   63   9.89 +/- 0.82   0.007% *  0.0391% (0.09   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QD1   LEU   73  11.69 +/- 0.44   0.002% *  0.0645% (0.15   0.02   0.02) =   0.000%
          QG2   VAL  108 - QD1   LEU   73  12.50 +/- 0.80   0.002% *  0.0718% (0.17   0.02   0.02) =   0.000%
        T QD1   ILE  119 - QD1   LEU   73  12.49 +/- 0.40   0.001% *  0.0421% (0.10   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU  104  18.04 +/- 0.54   0.000% *  0.2125% (0.51   0.02   0.02) =   0.000%
        T HG    LEU   63 - QD1   LEU   73  12.46 +/- 0.71   0.002% *  0.0130% (0.03   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD1   LEU   73  19.51 +/- 0.51   0.000% *  0.0391% (0.09   0.02   0.02) =   0.000%
    Distance limit 2.65 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 = 0.696, support = 5.06, residual support = 220.8:
    * O T HB3   LEU  104 - QD1   LEU  104   2.19 +/- 0.15  60.496% * 87.0211% (0.74   5.00 219.26) =  93.771%  kept
      O T HB3   LEU   63 - QD1   LEU   63   2.43 +/- 0.18  34.116% * 10.2331% (0.07   5.93 245.20) =   6.219%  kept
          QD1   LEU   71 - QD1   LEU   73   3.91 +/- 0.71   4.363% *  0.0831% (0.18   0.02   0.02) =   0.006%
          QG1   VAL   70 - QD1   LEU  104   5.42 +/- 0.45   0.309% *  0.4396% (0.93   0.02   0.02) =   0.002%
          QD1   LEU  123 - QD1   LEU   63   5.62 +/- 0.68   0.286% *  0.0831% (0.18   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU  104   8.20 +/- 0.54   0.025% *  0.4514% (0.96   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   63   6.15 +/- 0.53   0.138% *  0.0810% (0.17   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   73   6.35 +/- 0.56   0.128% *  0.0752% (0.16   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU   63   7.00 +/- 0.59   0.067% *  0.0752% (0.16   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU  104   9.72 +/- 0.62   0.009% *  0.4514% (0.96   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU  104   9.36 +/- 0.60   0.013% *  0.1872% (0.40   0.02   0.02) =   0.000%
          QG1   VAL   70 - QD1   LEU   73   8.63 +/- 0.12   0.017% *  0.0810% (0.17   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   63   8.69 +/- 0.33   0.016% *  0.0641% (0.14   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD1   LEU  104  12.48 +/- 0.83   0.002% *  0.4085% (0.87   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD1   LEU   63  10.00 +/- 0.92   0.008% *  0.0831% (0.18   0.02   0.02) =   0.000%
        T HB3   LEU   63 - QD1   LEU   73  10.65 +/- 0.58   0.005% *  0.0345% (0.07   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QD1   LEU   73  13.07 +/- 0.44   0.001% *  0.0641% (0.14   0.02   0.02) =   0.000%
          QD1   LEU  123 - QD1   LEU   73  13.77 +/- 0.87   0.001% *  0.0831% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 5.27, residual support = 219.3:
    * O T HG    LEU  104 - QD1   LEU  104   2.12 +/- 0.01  97.770% * 97.4520% (0.97   5.27 219.26) =  99.999%  kept
          HB3   LYS+ 121 - QD1   LEU  104   6.77 +/- 0.77   0.120% *  0.3700% (0.97   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  104   7.04 +/- 1.39   0.262% *  0.1142% (0.30   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   73   4.56 +/- 0.43   1.195% *  0.0135% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   73   5.58 +/- 0.65   0.369% *  0.0256% (0.07   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   63   6.80 +/- 0.50   0.101% *  0.0681% (0.18   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   63   7.67 +/- 0.62   0.054% *  0.0468% (0.12   0.02   5.66) =   0.000%
          HD3   LYS+  74 - QD1   LEU   63   9.07 +/- 0.51   0.017% *  0.0658% (0.17   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU   73   9.28 +/- 0.25   0.014% *  0.0658% (0.17   0.02  43.90) =   0.000%
        T HG    LEU  104 - QD1   LEU   63   9.41 +/- 0.48   0.014% *  0.0681% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   63   9.63 +/- 0.52   0.012% *  0.0668% (0.17   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU  104  12.29 +/- 0.61   0.003% *  0.2542% (0.66   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   63   8.61 +/- 0.90   0.028% *  0.0210% (0.05   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   63   8.50 +/- 0.41   0.025% *  0.0170% (0.04   0.02   1.23) =   0.000%
        T HG    LEU  104 - QD1   LEU   73  11.36 +/- 0.59   0.004% *  0.0681% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU  104  15.33 +/- 0.43   0.001% *  0.3627% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU  104  13.64 +/- 1.23   0.002% *  0.1389% (0.36   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD1   LEU  104  16.26 +/- 0.79   0.001% *  0.3571% (0.93   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  104  15.37 +/- 0.61   0.001% *  0.0923% (0.24   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  104  15.04 +/- 0.58   0.001% *  0.0732% (0.19   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD1   LEU   73  14.71 +/- 0.37   0.001% *  0.0468% (0.12   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD1   LEU   73  15.81 +/- 0.56   0.001% *  0.0681% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU   73  13.04 +/- 0.71   0.002% *  0.0170% (0.04   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   63  12.73 +/- 0.64   0.002% *  0.0135% (0.04   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD1   LEU   63  14.46 +/- 1.22   0.001% *  0.0256% (0.07   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD1   LEU   73  17.78 +/- 0.43   0.000% *  0.0668% (0.17   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU   73  17.04 +/- 1.04   0.000% *  0.0210% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 5.5, residual support = 219.3:
    * O T QD2   LEU  104 - QD1   LEU  104   2.10 +/- 0.04  89.361% * 98.3690% (0.97   5.50 219.26) =  99.997%  kept
          QG1   VAL   43 - QD1   LEU   73   3.60 +/- 0.73   7.699% *  0.0225% (0.06   0.02   8.15) =   0.002%
          QD1   ILE   19 - QD1   LEU   73   4.64 +/- 0.29   0.844% *  0.0635% (0.17   0.02   5.03) =   0.001%
        T QG1   VAL   41 - QD1   LEU   73   4.31 +/- 0.33   1.330% *  0.0130% (0.04   0.02   0.95) =   0.000%
          QD1   LEU   98 - QD1   LEU  104   6.22 +/- 0.48   0.143% *  0.1103% (0.30   0.02   4.66) =   0.000%
        T QG1   VAL   41 - QD1   LEU  104   6.42 +/- 0.49   0.123% *  0.0707% (0.19   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU   63   5.97 +/- 0.45   0.192% *  0.0373% (0.10   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU  104   7.86 +/- 0.50   0.035% *  0.1219% (0.33   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU   73   7.40 +/- 0.37   0.049% *  0.0373% (0.10   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   73   7.03 +/- 0.49   0.068% *  0.0203% (0.05   0.02   0.02) =   0.000%
          QG1   VAL   43 - QD1   LEU   63   7.21 +/- 0.40   0.059% *  0.0225% (0.06   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   63   9.05 +/- 0.58   0.016% *  0.0658% (0.18   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   73   8.90 +/- 0.38   0.016% *  0.0452% (0.12   0.02   0.02) =   0.000%
        T QG2   VAL   18 - QD1   LEU  104  11.83 +/- 0.47   0.003% *  0.2024% (0.55   0.02   0.02) =   0.000%
          QD1   LEU   98 - QD1   LEU   63   8.47 +/- 0.82   0.025% *  0.0203% (0.05   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU   63   9.59 +/- 0.54   0.011% *  0.0452% (0.12   0.02   0.02) =   0.000%
        T QD2   LEU  104 - QD1   LEU   73  10.78 +/- 0.64   0.005% *  0.0658% (0.18   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU  104  14.13 +/- 0.54   0.001% *  0.3449% (0.93   0.02   0.02) =   0.000%
          QD1   ILE   19 - QD1   LEU   63  11.40 +/- 0.48   0.004% *  0.0635% (0.17   0.02   0.02) =   0.000%
        T QG1   VAL   41 - QD1   LEU   63   8.88 +/- 0.57   0.017% *  0.0130% (0.04   0.02   0.02) =   0.000%
          QG2   THR   46 - QD1   LEU  104  15.35 +/- 0.53   0.001% *  0.2455% (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 = 5.97, residual support = 219.3:
    *   T HA    LEU  104 - QD2   LEU  104   2.03 +/- 0.33  99.946% * 98.9101% (1.00   5.97 219.26) = 100.000%  kept
          HA    TRP   87 - QD2   LEU  104  12.37 +/- 0.52   0.005% *  0.1489% (0.45   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG2   VAL   18   9.85 +/- 1.02   0.013% *  0.0390% (0.12   0.02   0.02) =   0.000%
        T HA    LEU  104 - QG1   VAL   41   9.40 +/- 0.37   0.017% *  0.0178% (0.05   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD2   LEU  104  15.77 +/- 0.53   0.001% *  0.2282% (0.69   0.02   0.02) =   0.000%
          HA    TRP   87 - QG1   VAL   41  10.80 +/- 0.79   0.009% *  0.0080% (0.02   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD2   LEU  104  20.52 +/- 1.25   0.000% *  0.2538% (0.76   0.02   0.02) =   0.000%
          HA    ALA   12 - QG2   VAL   18  14.54 +/- 1.25   0.001% *  0.0330% (0.10   0.02   0.02) =   0.000%
        T HA    LEU  104 - QG2   VAL   18  15.83 +/- 0.42   0.001% *  0.0509% (0.15   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG1   VAL   41  13.78 +/- 0.75   0.002% *  0.0123% (0.04   0.02   0.02) =   0.000%
          HA    GLU-  14 - QG1   VAL   41  13.62 +/- 1.56   0.002% *  0.0136% (0.04   0.02   0.02) =   0.000%
          HA    TRP   87 - QG2   VAL   18  15.44 +/- 0.68   0.001% *  0.0229% (0.07   0.02   0.02) =   0.000%
          HA    ALA   12 - QD2   LEU  104  23.72 +/- 2.24   0.000% *  0.2149% (0.65   0.02   0.02) =   0.000%
          HA    ASP-  86 - QG2   VAL   18  18.44 +/- 0.67   0.000% *  0.0351% (0.11   0.02   0.02) =   0.000%
          HA    ALA   12 - QG1   VAL   41  16.66 +/- 2.58   0.001% *  0.0115% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1297 (1.04, 0.73, 22.45 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 6.26, residual support = 219.3:
    * O T HB2   LEU  104 - QD2   LEU  104   3.11 +/- 0.20  98.236% * 98.9528% (0.87   6.26 219.26) =  99.999%  kept
          QG2   VAL  108 - QD2   LEU  104  10.72 +/- 0.37   0.064% *  0.3515% (0.97   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG2   VAL   18   7.74 +/- 0.31   0.452% *  0.0317% (0.09   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD2   LEU  104  11.39 +/- 1.03   0.045% *  0.2062% (0.57   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QG1   VAL   41   7.87 +/- 0.42   0.427% *  0.0170% (0.05   0.02   0.02) =   0.000%
          HG    LEU   63 - QG2   VAL   18   7.37 +/- 0.61   0.591% *  0.0098% (0.03   0.02   0.02) =   0.000%
          HG    LEU   63 - QD2   LEU  104  11.99 +/- 0.86   0.032% *  0.0638% (0.18   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   VAL   18  12.71 +/- 0.64   0.023% *  0.0540% (0.15   0.02   0.02) =   0.000%
        T HB2   LEU  104 - QG2   VAL   18  13.41 +/- 0.43   0.016% *  0.0485% (0.13   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG1   VAL   41  12.40 +/- 0.82   0.029% *  0.0189% (0.05   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG2   VAL   18  13.48 +/- 0.57   0.016% *  0.0294% (0.08   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QD2   LEU  104  19.11 +/- 0.57   0.002% *  0.1916% (0.53   0.02   0.02) =   0.000%
          QD1   ILE  119 - QG1   VAL   41  12.12 +/- 0.69   0.030% *  0.0111% (0.03   0.02   0.02) =   0.000%
          HG    LEU   63 - QG1   VAL   41  11.82 +/- 0.79   0.036% *  0.0034% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   41  20.21 +/- 0.46   0.001% *  0.0103% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 0.51, support = 4.87, residual support = 162.1:
    * O T HB3   LEU  104 - QD2   LEU  104   2.68 +/- 0.19  15.893% * 86.4552% (0.76   5.47 219.26) =  59.435%  kept
      O T QG1   VAL   18 - QG2   VAL   18   2.00 +/- 0.06  82.189% * 11.4095% (0.14   4.00  78.41) =  40.562%  kept
          QD1   LEU   71 - QG1   VAL   41   4.14 +/- 0.56   1.537% *  0.0220% (0.05   0.02   2.75) =   0.001%
          QG1   VAL   70 - QD2   LEU  104   7.40 +/- 0.56   0.036% *  0.3995% (0.97   0.02   0.02) =   0.001%
          HB3   LEU   63 - QG2   VAL   18   6.10 +/- 0.60   0.131% *  0.0262% (0.06   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG1   VAL   41   6.06 +/- 0.38   0.115% *  0.0215% (0.05   0.02   2.71) =   0.000%
          QD1   LEU  123 - QD2   LEU  104   9.99 +/- 0.54   0.006% *  0.4103% (0.99   0.02   0.02) =   0.000%
          QD1   LEU   71 - QG2   VAL   18   8.01 +/- 0.81   0.029% *  0.0630% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  104  10.74 +/- 0.61   0.004% *  0.4103% (0.99   0.02   0.02) =   0.000%
          QG1   VAL   70 - QG2   VAL   18   8.09 +/- 0.61   0.022% *  0.0614% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  104  11.39 +/- 0.66   0.003% *  0.1702% (0.41   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG2   VAL   18  10.09 +/- 0.81   0.006% *  0.0630% (0.15   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QD2   LEU  104  13.68 +/- 0.84   0.001% *  0.3713% (0.90   0.02   0.02) =   0.000%
        T QG1   VAL   18 - QG1   VAL   41   9.23 +/- 0.76   0.010% *  0.0199% (0.05   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG1   VAL   41   9.03 +/- 0.41   0.010% *  0.0170% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG1   VAL   41  10.10 +/- 0.47   0.005% *  0.0091% (0.02   0.02   0.02) =   0.000%
          QD1   LEU  123 - QG1   VAL   41  11.97 +/- 0.81   0.002% *  0.0220% (0.05   0.02   0.02) =   0.000%
        T HB3   LEU  104 - QG2   VAL   18  14.51 +/- 0.46   0.001% *  0.0486% (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 = 5.92, residual support = 219.3:
    * O T HG    LEU  104 - QD2   LEU  104   2.13 +/- 0.01  96.349% * 98.0277% (1.00   5.92 219.26) =  99.999%  kept
          HD3   LYS+  74 - QG2   VAL   18   5.32 +/- 0.87   0.745% *  0.0491% (0.15   0.02   0.99) =   0.000%
          HG2   LYS+  65 - QG2   VAL   18   4.89 +/- 1.26   2.436% *  0.0127% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QD2   LEU  104   8.03 +/- 0.66   0.038% *  0.3310% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD2   LEU  104   7.93 +/- 1.13   0.060% *  0.1022% (0.31   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG1   VAL   41   6.89 +/- 0.52   0.095% *  0.0178% (0.05   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG1   VAL   41   6.37 +/- 1.00   0.199% *  0.0067% (0.02   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG2   VAL   18   8.88 +/- 0.69   0.020% *  0.0349% (0.11   0.02   0.02) =   0.000%
          QD    LYS+  66 - QD2   LEU  104  14.41 +/- 0.71   0.001% *  0.2274% (0.69   0.02   0.02) =   0.000%
          QG2   THR   26 - QG2   VAL   18   8.75 +/- 0.47   0.021% *  0.0101% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU  104  15.59 +/- 0.39   0.001% *  0.3244% (0.98   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QD2   LEU  104  14.57 +/- 1.19   0.001% *  0.1242% (0.38   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD2   LEU  104  17.29 +/- 0.87   0.000% *  0.3194% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+  33 - QG2   VAL   18  11.64 +/- 0.74   0.004% *  0.0191% (0.06   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG2   VAL   18  13.98 +/- 0.42   0.001% *  0.0509% (0.15   0.02   0.02) =   0.000%
          QG2   THR   26 - QG1   VAL   41   9.06 +/- 0.42   0.017% *  0.0035% (0.01   0.02   0.02) =   0.000%
        T HG    LEU  104 - QG2   VAL   18  14.16 +/- 0.54   0.001% *  0.0509% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG2   VAL   18  14.72 +/- 0.38   0.001% *  0.0499% (0.15   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  104  15.57 +/- 0.77   0.001% *  0.0655% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QG1   VAL   41  12.95 +/- 0.65   0.002% *  0.0178% (0.05   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QG1   VAL   41  12.95 +/- 0.31   0.002% *  0.0172% (0.05   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  104  17.54 +/- 0.68   0.000% *  0.0825% (0.25   0.02   0.02) =   0.000%
          QD    LYS+  66 - QG1   VAL   41  13.95 +/- 0.49   0.001% *  0.0122% (0.04   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG2   VAL   18  15.70 +/- 0.91   0.001% *  0.0157% (0.05   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QG1   VAL   41  13.85 +/- 1.08   0.001% *  0.0055% (0.02   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QG1   VAL   41  14.19 +/- 0.61   0.001% *  0.0044% (0.01   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QG1   VAL   41  17.85 +/- 0.48   0.000% *  0.0174% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 5.5, residual support = 219.3:
    * O T QD1   LEU  104 - QD2   LEU  104   2.10 +/- 0.04  98.005% * 98.3592% (0.97   5.50 219.26) = 100.000%  kept
        T QD1   LEU   73 - QG1   VAL   41   4.31 +/- 0.33   1.488% *  0.0082% (0.02   0.02   0.95) =   0.000%
        T QD1   LEU   63 - QG2   VAL   18   5.97 +/- 0.45   0.210% *  0.0234% (0.06   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104   9.05 +/- 0.58   0.017% *  0.1522% (0.41   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG1   VAL   41   6.42 +/- 0.49   0.134% *  0.0192% (0.05   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   7.40 +/- 0.37   0.054% *  0.0234% (0.06   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  10.78 +/- 0.64   0.006% *  0.1522% (0.41   0.02   0.02) =   0.000%
          QD2   LEU  115 - QD2   LEU  104  11.97 +/- 0.59   0.003% *  0.2830% (0.76   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   18   9.00 +/- 0.43   0.016% *  0.0435% (0.12   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD2   LEU  104  14.38 +/- 0.65   0.001% *  0.3212% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG2   VAL   18  10.53 +/- 0.53   0.007% *  0.0456% (0.12   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD2   LEU  104  12.63 +/- 0.54   0.002% *  0.0923% (0.25   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD2   LEU  104  15.45 +/- 0.77   0.001% *  0.2965% (0.80   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG2   VAL   18  11.83 +/- 0.47   0.003% *  0.0549% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG1   VAL   41   9.89 +/- 0.61   0.010% *  0.0173% (0.05   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   8.88 +/- 0.57   0.019% *  0.0082% (0.02   0.02   0.02) =   0.000%
          QD2   LEU   80 - QG1   VAL   41  10.24 +/- 0.57   0.008% *  0.0159% (0.04   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG2   VAL   18  10.25 +/- 0.54   0.008% *  0.0142% (0.04   0.02   0.02) =   0.000%
          QG1   VAL   83 - QG2   VAL   18  12.83 +/- 0.65   0.002% *  0.0494% (0.13   0.02   0.02) =   0.000%
          QG2   ILE   89 - QG1   VAL   41  10.96 +/- 0.50   0.005% *  0.0050% (0.01   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG1   VAL   41  13.25 +/- 0.55   0.002% *  0.0152% (0.04   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 = 3.1, residual support = 40.5:
    * O T HB2   ASP- 105 - HA    ASP- 105   2.60 +/- 0.10  99.917% * 97.1834% (0.95   3.10  40.54) = 100.000%  kept
          HB2   MET   96 - HA    ASP- 105   9.32 +/- 0.14   0.048% *  0.4019% (0.61   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    ASP- 105  10.48 +/- 0.36   0.024% *  0.1160% (0.18   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    ASP- 105  14.11 +/- 0.56   0.004% *  0.6495% (0.98   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    ASP- 105  13.28 +/- 0.47   0.006% *  0.1475% (0.22   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ASP- 105  18.87 +/- 0.91   0.001% *  0.4019% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ASP- 105  22.47 +/- 0.27   0.000% *  0.6611% (1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    ASP- 105  20.03 +/- 0.39   0.000% *  0.1160% (0.18   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ASP- 105  24.46 +/- 0.50   0.000% *  0.3225% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.74 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 = 3.1, residual support = 40.5:
    * O T HA    ASP- 105 - HB2   ASP- 105   2.60 +/- 0.10  99.999% * 98.6068% (0.95   3.10  40.54) = 100.000%  kept
          HA    LEU   80 - HB2   ASP- 105  22.84 +/- 0.60   0.000% *  0.4860% (0.72   0.02   0.02) =   0.000%
          HB    THR   23 - HB2   ASP- 105  26.10 +/- 0.42   0.000% *  0.5704% (0.85   0.02   0.02) =   0.000%
          HA    THR   23 - HB2   ASP- 105  24.32 +/- 0.47   0.000% *  0.2387% (0.36   0.02   0.02) =   0.000%
          HA    ASP-  78 - HB2   ASP- 105  23.20 +/- 0.33   0.000% *  0.0981% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 6.0, residual support = 130.1:
    * O T QB    LYS+ 106 - HA    LYS+ 106   2.25 +/- 0.10  98.467% * 97.2744% (1.00   6.00 130.11) =  99.996%  kept
          HB3   ASP- 105 - HA    LYS+ 106   4.57 +/- 0.22   1.436% *  0.2813% (0.87   0.02  19.68) =   0.004%
          HB    ILE  103 - HA    LYS+ 106   7.32 +/- 0.48   0.086% *  0.2596% (0.80   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    LYS+ 106  12.34 +/- 0.43   0.004% *  0.2478% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LYS+ 106  14.68 +/- 0.79   0.001% *  0.3178% (0.98   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    LYS+ 106  12.95 +/- 0.67   0.003% *  0.0902% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LYS+ 106  17.29 +/- 0.39   0.000% *  0.3235% (1.00   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LYS+ 106  18.33 +/- 0.35   0.000% *  0.3067% (0.95   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    LYS+ 106  18.88 +/- 1.97   0.000% *  0.2478% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    LYS+ 106  17.08 +/- 0.32   0.001% *  0.1333% (0.41   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LYS+ 106  19.73 +/- 0.83   0.000% *  0.2708% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    LYS+ 106  18.91 +/- 0.53   0.000% *  0.1967% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    LYS+ 106  16.07 +/- 0.39   0.001% *  0.0500% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 5.05, residual support = 130.1:
    * O T HG2   LYS+ 106 - HA    LYS+ 106   3.46 +/- 0.50  99.707% * 99.1806% (1.00   5.05 130.11) = 100.000%  kept
          HB3   LYS+ 111 - HA    LYS+ 106   9.70 +/- 0.26   0.254% *  0.0606% (0.15   0.02   0.02) =   0.000%
        T QG    LYS+  81 - HA    LYS+ 106  17.32 +/- 0.32   0.008% *  0.3895% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    LYS+ 106  14.34 +/- 0.85   0.026% *  0.0688% (0.18   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - HA    LYS+ 106  19.61 +/- 1.03   0.004% *  0.3004% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1310 (1.70, 5.63, 56.31 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 4.8, residual support = 130.1:
    *   T QD    LYS+ 106 - HA    LYS+ 106   3.95 +/- 0.26  98.162% * 97.7688% (1.00   4.80 130.11) =  99.996%  kept
          QG1   ILE   56 - HA    LYS+ 106   9.00 +/- 0.31   0.767% *  0.1983% (0.49   0.02   0.02) =   0.002%
        T QD    LYS+  99 - HA    LYS+ 106  11.06 +/- 0.29   0.222% *  0.4065% (1.00   0.02   0.02) =   0.001%
          HB3   MET   92 - HA    LYS+ 106  12.00 +/- 0.90   0.149% *  0.3403% (0.84   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HA    LYS+ 106  10.91 +/- 0.44   0.246% *  0.1529% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 106  13.07 +/- 0.44   0.083% *  0.3854% (0.95   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LYS+ 106  12.84 +/- 0.73   0.096% *  0.2959% (0.73   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LYS+ 106  11.87 +/- 0.47   0.152% *  0.1016% (0.25   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 106  12.96 +/- 0.25   0.085% *  0.1675% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 106  14.93 +/- 0.54   0.038% *  0.1827% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 0.872, support = 4.29, residual support = 75.2:
    *   T QE    LYS+ 106 - HA    LYS+ 106   4.41 +/- 0.43  37.699% * 65.0673% (1.00   4.91 130.11) =  53.375%  kept
          HB2   PHE   97 - HA    LYS+ 106   4.01 +/- 0.15  62.172% * 34.4643% (0.73   3.58  12.38) =  46.624%  kept
          HB3   PHE   60 - HA    LYS+ 106  11.83 +/- 0.97   0.110% *  0.2506% (0.95   0.02   0.02) =   0.001%
          HB3   TRP   27 - HA    LYS+ 106  16.61 +/- 0.30   0.012% *  0.1820% (0.69   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    LYS+ 106  18.61 +/- 0.50   0.006% *  0.0359% (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 = 6.0, residual support = 130.1:
    * O T HA    LYS+ 106 - QB    LYS+ 106   2.25 +/- 0.10 100.000% *100.0000% (1.00   6.00 130.11) = 100.000%  kept
    Distance limit 3.41 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 = 5.03, residual support = 130.1:
    * O T HG2   LYS+ 106 - QB    LYS+ 106   2.30 +/- 0.09  99.965% * 99.1779% (1.00   5.03 130.11) = 100.000%  kept
          HB3   LYS+ 111 - QB    LYS+ 106   8.87 +/- 0.30   0.032% *  0.0608% (0.15   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QB    LYS+ 106  15.32 +/- 0.38   0.001% *  0.3908% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+ 106  14.17 +/- 0.83   0.002% *  0.0691% (0.18   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QB    LYS+ 106  18.86 +/- 0.89   0.000% *  0.3013% (0.76   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 4.78, residual support = 130.1:
    * O T QD    LYS+ 106 - QB    LYS+ 106   2.31 +/- 0.20  99.902% * 97.7617% (1.00   4.78 130.11) = 100.000%  kept
        T QG1   ILE   56 - QB    LYS+ 106   9.17 +/- 0.32   0.028% *  0.1990% (0.49   0.02   0.02) =   0.000%
          HB3   MET   92 - QB    LYS+ 106  10.67 +/- 0.98   0.012% *  0.3414% (0.84   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QB    LYS+ 106  11.02 +/- 0.31   0.010% *  0.4078% (1.00   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - QB    LYS+ 106  11.43 +/- 0.67   0.010% *  0.2968% (0.73   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QB    LYS+ 106  10.84 +/- 0.46   0.011% *  0.1534% (0.38   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QB    LYS+ 106  10.20 +/- 0.66   0.017% *  0.1019% (0.25   0.02   0.02) =   0.000%
          HB2   LEU   73 - QB    LYS+ 106  12.95 +/- 0.47   0.004% *  0.3867% (0.95   0.02   0.02) =   0.000%
          HG3   PRO   93 - QB    LYS+ 106  12.24 +/- 0.32   0.005% *  0.1680% (0.41   0.02   0.02) =   0.000%
        T HB2   LEU  123 - QB    LYS+ 106  15.01 +/- 0.51   0.001% *  0.1833% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.75 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 = 130.1:
    *   T QE    LYS+ 106 - QB    LYS+ 106   2.36 +/- 0.42  98.652% * 98.9915% (1.00   4.90 130.11) =  99.996%  kept
        T HB2   PHE   97 - QB    LYS+ 106   5.22 +/- 0.26   1.338% *  0.2936% (0.73   0.02  12.38) =   0.004%
          HB3   PHE   60 - QB    LYS+ 106  12.41 +/- 0.92   0.007% *  0.3825% (0.95   0.02   0.02) =   0.000%
          HB3   TRP   27 - QB    LYS+ 106  15.56 +/- 0.31   0.002% *  0.2777% (0.69   0.02   0.02) =   0.000%
          HB2   ASN   35 - QB    LYS+ 106  17.35 +/- 0.47   0.001% *  0.0547% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 5.05, residual support = 130.1:
    * O T HA    LYS+ 106 - HG2   LYS+ 106   3.46 +/- 0.50  99.988% * 99.6735% (1.00   5.05 130.11) = 100.000%  kept
        T HA    LYS+ 106 - HG2   LYS+  33  19.61 +/- 1.03   0.004% *  0.2395% (0.61   0.02   0.02) =   0.000%
        T HA    LYS+ 106 - QG    LYS+  81  17.32 +/- 0.32   0.008% *  0.0869% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.27 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 = 0.723, support = 5.18, residual support = 135.3:
    * O T QB    LYS+ 106 - HG2   LYS+ 106   2.30 +/- 0.09  26.021% * 52.4931% (1.00   5.03 130.11) =  48.370%  kept
      O T QB    LYS+  33 - HG2   LYS+  33   2.24 +/- 0.07  29.580% * 33.9818% (0.57   5.68 157.76) =  35.596%  kept
      O T QB    LYS+  81 - QG    LYS+  81   2.10 +/- 0.01  43.895% * 10.3139% (0.22   4.50 101.25) =  16.032%  kept
          HB    ILE  103 - HG2   LYS+ 106   5.24 +/- 0.61   0.226% *  0.1671% (0.80   0.02   0.02) =   0.001%
          HB3   ASP- 105 - HG2   LYS+ 106   6.06 +/- 0.58   0.096% *  0.1810% (0.87   0.02  19.68) =   0.001%
          HB3   GLN   30 - HG2   LYS+  33   5.62 +/- 0.46   0.137% *  0.0520% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG    LYS+  81   7.47 +/- 1.72   0.037% *  0.0450% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+  33  11.29 +/- 1.04   0.002% *  0.0768% (0.37   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+ 106  15.32 +/- 1.14   0.000% *  0.2046% (0.98   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+ 106  15.26 +/- 0.75   0.000% *  0.1595% (0.76   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+  33  15.92 +/- 1.48   0.000% *  0.0967% (0.46   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+ 106  17.94 +/- 1.06   0.000% *  0.2082% (1.00   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+ 106  14.64 +/- 1.15   0.000% *  0.0580% (0.28   0.02   0.02) =   0.000%
          HB2   MET   92 - QG    LYS+  81  12.03 +/- 0.82   0.001% *  0.0128% (0.06   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG2   LYS+ 106  19.26 +/- 1.24   0.000% *  0.1974% (0.95   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QG    LYS+  81  15.32 +/- 0.38   0.000% *  0.0459% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG2   LYS+ 106  18.80 +/- 1.05   0.000% *  0.1266% (0.61   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HG2   LYS+  33  18.86 +/- 0.89   0.000% *  0.1266% (0.61   0.02   0.02) =   0.000%
          HG3   PRO   68 - HG2   LYS+ 106  20.85 +/- 2.20   0.000% *  0.1595% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG2   LYS+ 106  18.41 +/- 1.46   0.000% *  0.0858% (0.41   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG2   LYS+  33  19.01 +/- 1.29   0.000% *  0.1098% (0.53   0.02   0.02) =   0.000%
          HB    ILE  103 - HG2   LYS+  33  18.81 +/- 0.92   0.000% *  0.1014% (0.49   0.02   0.02) =   0.000%
          HB    ILE   56 - QG    LYS+  81  16.58 +/- 0.46   0.000% *  0.0351% (0.17   0.02   0.02) =   0.000%
        T QB    LYS+  81 - HG2   LYS+  33  20.56 +/- 0.52   0.000% *  0.1263% (0.61   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG    LYS+  81  15.05 +/- 0.51   0.000% *  0.0189% (0.09   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+ 106  22.67 +/- 1.17   0.000% *  0.1743% (0.84   0.02   0.02) =   0.000%
        T QB    LYS+  33 - QG    LYS+  81  17.97 +/- 0.48   0.000% *  0.0434% (0.21   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG    LYS+  81  17.89 +/- 0.98   0.000% *  0.0384% (0.18   0.02   0.02) =   0.000%
          HB    ILE  103 - QG    LYS+  81  19.19 +/- 0.38   0.000% *  0.0368% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+ 106  19.17 +/- 0.74   0.000% *  0.0322% (0.15   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG2   LYS+  33  25.01 +/- 1.57   0.000% *  0.1241% (0.59   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QG    LYS+  81  20.72 +/- 0.44   0.000% *  0.0398% (0.19   0.02   0.02) =   0.000%
          HB    ILE   56 - HG2   LYS+  33  24.09 +/- 0.88   0.000% *  0.0967% (0.46   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HG2   LYS+  33  27.55 +/- 0.86   0.000% *  0.1057% (0.51   0.02   0.02) =   0.000%
          HB3   PRO   58 - HG2   LYS+  33  23.77 +/- 1.11   0.000% *  0.0195% (0.09   0.02   0.02) =   0.000%
          HB2   MET   92 - HG2   LYS+  33  26.36 +/- 0.60   0.000% *  0.0352% (0.17   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG    LYS+  81  25.77 +/- 0.53   0.000% *  0.0279% (0.13   0.02   0.02) =   0.000%
          HG3   PRO   68 - QG    LYS+  81  27.52 +/- 0.55   0.000% *  0.0351% (0.17   0.02   0.02) =   0.000%
          HB3   PRO   58 - QG    LYS+  81  22.33 +/- 0.31   0.000% *  0.0071% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.57 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 = 4.12, residual support = 130.1:
    * O T QD    LYS+ 106 - HG2   LYS+ 106   2.40 +/- 0.11  99.881% * 95.0108% (1.00   4.12 130.11) = 100.000%  kept
          HB2   LEU   73 - HG2   LYS+  33   9.42 +/- 0.59   0.030% *  0.2643% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+ 106  11.28 +/- 0.59   0.010% *  0.4597% (1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 106   9.93 +/- 0.59   0.022% *  0.1149% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+ 106  10.92 +/- 0.62   0.012% *  0.1729% (0.38   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+ 106  11.69 +/- 0.63   0.008% *  0.2243% (0.49   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  33  13.21 +/- 1.23   0.004% *  0.2788% (0.61   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+ 106  13.95 +/- 1.35   0.003% *  0.3849% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 106  14.94 +/- 1.37   0.002% *  0.4359% (0.95   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+ 106  14.50 +/- 1.03   0.002% *  0.3346% (0.73   0.02   0.02) =   0.000%
          HB3   MET   92 - QG    LYS+  81  12.42 +/- 0.99   0.006% *  0.0847% (0.18   0.02   0.02) =   0.000%
          HB2   LEU   73 - QG    LYS+  81  13.08 +/- 0.25   0.004% *  0.0959% (0.21   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG2   LYS+  33  14.13 +/- 1.22   0.003% *  0.1049% (0.23   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 106  15.58 +/- 0.72   0.001% *  0.1894% (0.41   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 106  16.69 +/- 0.81   0.001% *  0.2066% (0.45   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  33  18.94 +/- 1.34   0.000% *  0.2794% (0.61   0.02   0.02) =   0.000%
          HG3   PRO   93 - QG    LYS+  81  13.74 +/- 0.53   0.003% *  0.0417% (0.09   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - QG    LYS+  81  16.40 +/- 1.23   0.001% *  0.1014% (0.22   0.02   0.02) =   0.000%
          QG1   ILE   56 - QG    LYS+  81  15.10 +/- 0.42   0.002% *  0.0493% (0.11   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG2   LYS+  33  17.94 +/- 0.95   0.001% *  0.0697% (0.15   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG2   LYS+  33  20.14 +/- 0.87   0.000% *  0.1360% (0.30   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QG    LYS+  81  21.00 +/- 1.33   0.000% *  0.0736% (0.16   0.02   0.02) =   0.000%
        T QD    LYS+  99 - QG    LYS+  81  21.84 +/- 0.33   0.000% *  0.1012% (0.22   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  33  25.36 +/- 0.67   0.000% *  0.2334% (0.51   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  33  23.89 +/- 1.73   0.000% *  0.1253% (0.27   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  33  24.40 +/- 0.98   0.000% *  0.1149% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QG    LYS+  81  22.61 +/- 0.46   0.000% *  0.0380% (0.08   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QG    LYS+  81  21.25 +/- 0.81   0.000% *  0.0253% (0.05   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HG2   LYS+  33  30.28 +/- 1.39   0.000% *  0.2029% (0.44   0.02   0.02) =   0.000%
          HB2   LEU  123 - QG    LYS+  81  28.45 +/- 0.52   0.000% *  0.0455% (0.10   0.02   0.02) =   0.000%
    Distance limit 2.63 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 = 4.23, residual support = 130.1:
    * O T QE    LYS+ 106 - HG2   LYS+ 106   2.48 +/- 0.32  98.046% * 97.5202% (1.00   4.23 130.11) =  99.994%  kept
          HB2   PHE   97 - HG2   LYS+ 106   5.34 +/- 0.72   1.683% *  0.3346% (0.73   0.02  12.38) =   0.006%
          HB2   ASN   35 - HG2   LYS+  33   7.24 +/- 0.57   0.213% *  0.0378% (0.08   0.02   0.79) =   0.000%
          HB3   TRP   27 - HG2   LYS+  33  11.02 +/- 0.36   0.017% *  0.1919% (0.42   0.02   0.02) =   0.000%
          HB3   TRP   27 - QG    LYS+  81  10.15 +/- 0.29   0.029% *  0.0696% (0.15   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+ 106  14.97 +/- 1.22   0.003% *  0.4358% (0.95   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+ 106  17.92 +/- 1.45   0.001% *  0.3165% (0.69   0.02   0.02) =   0.000%
          HB3   PHE   60 - HG2   LYS+  33  17.44 +/- 0.88   0.001% *  0.2643% (0.57   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  33  16.95 +/- 1.16   0.001% *  0.2029% (0.44   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - HG2   LYS+  33  20.06 +/- 1.34   0.001% *  0.2794% (0.61   0.02   0.02) =   0.000%
          HB3   PHE   60 - QG    LYS+  81  16.56 +/- 0.40   0.001% *  0.0959% (0.21   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - QG    LYS+  81  16.66 +/- 1.24   0.001% *  0.1014% (0.22   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  18.70 +/- 1.44   0.001% *  0.0624% (0.14   0.02   0.02) =   0.000%
          HB2   PHE   97 - QG    LYS+  81  19.02 +/- 0.25   0.001% *  0.0736% (0.16   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  19.78 +/- 0.57   0.000% *  0.0137% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 130.1:
    *   T HA    LYS+ 106 - QD    LYS+ 106   3.95 +/- 0.26  99.774% * 99.6626% (0.99   4.80 130.11) =  99.999%  kept
        T HA    LYS+ 106 - QD    LYS+  99  11.06 +/- 0.29   0.226% *  0.3374% (0.81   0.02   0.02) =   0.001%
    Distance limit 4.96 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 = 4.78, residual support = 130.1:
    * O T QB    LYS+ 106 - QD    LYS+ 106   2.31 +/- 0.20  95.647% * 93.7126% (0.99   4.78 130.11) =  99.985%  kept
          HB    ILE  103 - QD    LYS+ 106   4.32 +/- 0.84   3.567% *  0.3137% (0.79   0.02   0.02) =   0.012%
          HB3   ASP- 105 - QD    LYS+ 106   6.15 +/- 0.75   0.554% *  0.3399% (0.86   0.02  19.68) =   0.002%
          HB3   LYS+  38 - QD    LYS+  99   7.57 +/- 0.68   0.101% *  0.1931% (0.49   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD    LYS+  99   8.08 +/- 0.34   0.062% *  0.2761% (0.70   0.02   0.02) =   0.000%
          HB    ILE  103 - QD    LYS+  99   9.49 +/- 0.33   0.022% *  0.2549% (0.64   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+  99  11.14 +/- 2.01   0.018% *  0.2432% (0.62   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - QD    LYS+  99  11.02 +/- 0.31   0.009% *  0.3183% (0.81   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+  99  12.44 +/- 0.65   0.005% *  0.3011% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+ 106  13.68 +/- 1.45   0.003% *  0.3841% (0.97   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+ 106  14.22 +/- 0.63   0.002% *  0.2994% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+ 106  16.01 +/- 1.32   0.001% *  0.3910% (0.99   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+ 106  13.29 +/- 0.84   0.003% *  0.1089% (0.28   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+  99  14.34 +/- 0.42   0.002% *  0.1309% (0.33   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD    LYS+ 106  17.50 +/- 1.06   0.001% *  0.3707% (0.94   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD    LYS+ 106  16.95 +/- 0.92   0.001% *  0.2377% (0.60   0.02   0.02) =   0.000%
          HG3   PRO   68 - QD    LYS+ 106  19.25 +/- 2.03   0.000% *  0.2994% (0.76   0.02   0.02) =   0.000%
          HB3   GLN   30 - QD    LYS+ 106  16.81 +/- 1.35   0.001% *  0.1611% (0.41   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD    LYS+  99  19.39 +/- 0.36   0.000% *  0.2432% (0.62   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+ 106  20.80 +/- 0.88   0.000% *  0.3273% (0.83   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD    LYS+  99  21.93 +/- 0.32   0.000% *  0.3176% (0.80   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD    LYS+  99  22.55 +/- 0.56   0.000% *  0.3120% (0.79   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+ 106  17.86 +/- 0.69   0.001% *  0.0605% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   58 - QD    LYS+  99  18.75 +/- 0.52   0.000% *  0.0491% (0.12   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD    LYS+  99  25.11 +/- 0.59   0.000% *  0.2659% (0.67   0.02   0.02) =   0.000%
          HB2   MET   92 - QD    LYS+  99  22.03 +/- 0.50   0.000% *  0.0885% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.74 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 = 4.12, residual support = 130.1:
    * O T HG2   LYS+ 106 - QD    LYS+ 106   2.40 +/- 0.11  99.967% * 97.8222% (0.99   4.12 130.11) = 100.000%  kept
        T HG2   LYS+ 106 - QD    LYS+  99  11.28 +/- 0.59   0.010% *  0.3854% (0.81   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+  99  13.21 +/- 1.23   0.004% *  0.2945% (0.62   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+ 106  10.80 +/- 0.79   0.014% *  0.0732% (0.15   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+ 106  16.40 +/- 1.23   0.001% *  0.4702% (0.98   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QD    LYS+ 106  18.94 +/- 1.34   0.000% *  0.3625% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+ 106  15.85 +/- 1.31   0.002% *  0.0831% (0.17   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QD    LYS+  99  21.84 +/- 0.33   0.000% *  0.3819% (0.80   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QD    LYS+  99  18.06 +/- 0.57   0.001% *  0.0675% (0.14   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD    LYS+  99  18.58 +/- 0.49   0.000% *  0.0595% (0.12   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.05 A, kept.
 
    Peak 1334 (1.70, 1.70, 30.09 ppm):
    2 diagonal assignments:
    *     QD    LYS+ 106 - QD    LYS+ 106  (1.00)  kept
          QD    LYS+  99 - QD    LYS+  99  (0.80)  kept
 
    Peak 1335 (2.98, 1.70, 30.09 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.1, residual support = 130.1:
    * O T QE    LYS+ 106 - QD    LYS+ 106   2.09 +/- 0.03  99.617% * 96.6748% (0.99   3.10 130.11) =  99.998%  kept
          HB2   PHE   97 - QD    LYS+ 106   5.55 +/- 0.43   0.322% *  0.4528% (0.72   0.02  12.38) =   0.002%
          HB2   PHE   97 - QD    LYS+  99   7.48 +/- 0.26   0.049% *  0.3678% (0.58   0.02   0.02) =   0.000%
        T QE    LYS+ 106 - QD    LYS+  99  11.26 +/- 1.08   0.006% *  0.5065% (0.81   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+ 106  14.13 +/- 1.07   0.001% *  0.5898% (0.94   0.02   0.02) =   0.000%
          HB3   PHE   60 - QD    LYS+  99  15.30 +/- 0.54   0.001% *  0.4791% (0.76   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+ 106  16.28 +/- 1.50   0.001% *  0.4283% (0.68   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+  99  12.19 +/- 0.60   0.003% *  0.0685% (0.11   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    LYS+  99  17.23 +/- 0.51   0.000% *  0.3479% (0.55   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    LYS+ 106  16.80 +/- 1.40   0.000% *  0.0844% (0.13   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1336 (5.63, 2.98, 42.19 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 4.91, residual support = 130.1:
    *   T HA    LYS+ 106 - QE    LYS+ 106   4.41 +/- 0.43 100.000% *100.0000% (1.00   4.91 130.11) = 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 = 130.1:
    *   T QB    LYS+ 106 - QE    LYS+ 106   2.36 +/- 0.42  95.666% * 96.6807% (1.00   4.90 130.11) =  99.985%  kept
        T HB3   ASP- 105 - QE    LYS+ 106   6.71 +/- 1.04   2.087% *  0.3425% (0.87   0.02  19.68) =   0.008%
          HB    ILE  103 - QE    LYS+ 106   5.37 +/- 0.88   2.230% *  0.3162% (0.80   0.02   0.02) =   0.008%
          HB3   GLN   90 - QE    LYS+ 106  13.53 +/- 1.70   0.003% *  0.3871% (0.98   0.02   0.02) =   0.000%
          HB    ILE   56 - QE    LYS+ 106  14.18 +/- 0.78   0.003% *  0.3018% (0.76   0.02   0.02) =   0.000%
          HB2   MET   92 - QE    LYS+ 106  12.99 +/- 1.38   0.004% *  0.1098% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  81 - QE    LYS+ 106  16.23 +/- 1.30   0.001% *  0.3940% (1.00   0.02   0.02) =   0.000%
          HG3   PRO   68 - QE    LYS+ 106  20.05 +/- 2.45   0.001% *  0.3018% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  33 - QE    LYS+ 106  18.51 +/- 1.12   0.001% *  0.3735% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QE    LYS+ 106  18.09 +/- 1.20   0.001% *  0.2395% (0.61   0.02   0.02) =   0.000%
          HB3   GLN   30 - QE    LYS+ 106  17.85 +/- 1.28   0.001% *  0.1623% (0.41   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QE    LYS+ 106  20.79 +/- 1.12   0.000% *  0.3298% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   58 - QE    LYS+ 106  18.06 +/- 0.68   0.001% *  0.0609% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1339 (1.56, 2.98, 42.19 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.23, residual support = 130.1:
    * O T HG2   LYS+ 106 - QE    LYS+ 106   2.48 +/- 0.32  99.969% * 99.0247% (1.00   4.23 130.11) = 100.000%  kept
          HB3   LYS+ 111 - QE    LYS+ 106  10.35 +/- 0.65   0.027% *  0.0722% (0.15   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QE    LYS+ 106  16.66 +/- 1.24   0.001% *  0.4637% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  33 - QE    LYS+ 106  20.06 +/- 1.34   0.001% *  0.3575% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QE    LYS+ 106  16.36 +/- 1.36   0.002% *  0.0819% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1340 (1.70, 2.98, 42.19 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.1, residual support = 130.1:
    * O T QD    LYS+ 106 - QE    LYS+ 106   2.09 +/- 0.03  99.956% * 96.7059% (0.99   3.10 130.11) = 100.000%  kept
        T QD    LYS+  99 - QE    LYS+ 106  11.26 +/- 1.08   0.006% *  0.6279% (1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QE    LYS+ 106   9.14 +/- 0.92   0.018% *  0.1245% (0.20   0.02   0.02) =   0.000%
          QG1   ILE   56 - QE    LYS+ 106  11.02 +/- 0.61   0.005% *  0.3563% (0.57   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    LYS+ 106  11.09 +/- 1.14   0.006% *  0.2821% (0.45   0.02   0.02) =   0.000%
          HB3   MET   92 - QE    LYS+ 106  12.49 +/- 1.49   0.003% *  0.4809% (0.76   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QE    LYS+ 106  12.68 +/- 1.12   0.003% *  0.4071% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 106  14.76 +/- 1.21   0.001% *  0.5644% (0.90   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 106  14.30 +/- 0.97   0.001% *  0.2147% (0.34   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 106  15.81 +/- 1.64   0.001% *  0.2362% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.78 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   3.01 +/- 0.01  99.829% * 97.8083% (0.73   3.31  53.49) = 100.000%  kept
          QE    LYS+ 112 - HA    VAL  107  10.40 +/- 0.25   0.059% *  0.2510% (0.31   0.02   0.02) =   0.000%
          HB2   GLN  116 - HA    VAL  107   9.85 +/- 0.31   0.083% *  0.1101% (0.14   0.02   0.02) =   0.000%
          HB3   PHE   45 - HA    VAL  107  11.94 +/- 0.30   0.026% *  0.2510% (0.31   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    VAL  107  19.76 +/- 0.71   0.001% *  0.6215% (0.76   0.02   0.02) =   0.000%
          QG    GLN   32 - HA    VAL  107  23.23 +/- 0.93   0.000% *  0.7972% (0.98   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HA    VAL  107  19.46 +/- 0.84   0.001% *  0.1609% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.63 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   3.01 +/- 0.01  99.228% * 98.5159% (0.73   3.31  53.49) =  99.999%  kept
          HA    ALA  110 - HB    VAL  107   6.96 +/- 0.53   0.732% *  0.1836% (0.22   0.02   0.02) =   0.001%
          HA    ALA   91 - HB    VAL  107  13.36 +/- 0.77   0.014% *  0.5740% (0.70   0.02   0.02) =   0.000%
          HA    PRO   52 - HB    VAL  107  13.22 +/- 0.42   0.014% *  0.1177% (0.14   0.02   0.02) =   0.000%
          HA    GLN   90 - HB    VAL  107  14.12 +/- 0.59   0.010% *  0.1324% (0.16   0.02   0.02) =   0.000%
          HA    TRP   27 - HB    VAL  107  18.09 +/- 0.24   0.002% *  0.4763% (0.58   0.02   0.02) =   0.000%
    Distance limit 3.89 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   2.98 +/- 0.14  99.527% * 96.7353% (1.00   3.30  60.45) =  99.998%  kept
          HB2   PRO   93 - HA    VAL  108   7.53 +/- 0.87   0.452% *  0.4697% (0.80   0.02   0.02) =   0.002%
          HB    ILE  119 - HA    VAL  108  13.29 +/- 0.51   0.013% *  0.5415% (0.92   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    VAL  108  15.54 +/- 0.70   0.005% *  0.5814% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    VAL  108  20.22 +/- 0.64   0.001% *  0.5415% (0.92   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    VAL  108  21.44 +/- 0.82   0.001% *  0.3794% (0.65   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    VAL  108  22.44 +/- 0.35   0.001% *  0.5088% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    VAL  108  23.71 +/- 0.98   0.000% *  0.1631% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - HA    VAL  108  34.27 +/- 3.01   0.000% *  0.0794% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.15 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   2.38 +/- 0.13  99.989% * 99.3017% (1.00   3.97  60.45) = 100.000%  kept
          HB3   LEU   63 - HA    VAL  108  13.76 +/- 0.46   0.003% *  0.3238% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   40 - HA    VAL  108  13.17 +/- 0.50   0.004% *  0.1878% (0.38   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    VAL  108  13.25 +/- 0.67   0.004% *  0.0990% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   67 - HA    VAL  108  15.95 +/- 1.03   0.001% *  0.0876% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.13 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   2.45 +/- 0.22  99.959% * 98.7625% (1.00   3.30  60.45) = 100.000%  kept
          QD1   ILE  119 - HA    VAL  108  10.40 +/- 0.57   0.024% *  0.4349% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HA    VAL  108  12.16 +/- 0.69   0.013% *  0.2248% (0.38   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    VAL  108  13.44 +/- 0.16   0.004% *  0.5779% (0.97   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.01 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   2.98 +/- 0.14  97.674% * 98.9038% (1.00   3.30  60.45) =  99.996%  kept
          HA1   GLY  109 - HB    VAL  108   5.64 +/- 0.26   2.310% *  0.1851% (0.31   0.02   7.31) =   0.004%
          HA    ALA   47 - HB    VAL  108  14.78 +/- 0.86   0.007% *  0.5878% (0.98   0.02   0.02) =   0.000%
          HA    CYS   50 - HB    VAL  108  14.47 +/- 0.66   0.008% *  0.2046% (0.34   0.02   0.02) =   0.000%
          HA    TRP   49 - HB    VAL  108  19.06 +/- 0.75   0.001% *  0.1187% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.53 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 +/- 0.01  99.997% * 99.1953% (1.00   3.44  60.45) = 100.000%  kept
          HB3   LEU   63 - HB    VAL  108  15.77 +/- 0.51   0.001% *  0.3731% (0.65   0.02   0.02) =   0.000%
          QD1   LEU   40 - HB    VAL  108  14.47 +/- 0.52   0.001% *  0.2165% (0.38   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB    VAL  108  15.51 +/- 0.67   0.001% *  0.1141% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB    VAL  108  17.44 +/- 1.36   0.000% *  0.1010% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.85 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 +/- 0.02  99.993% * 98.6410% (1.00   3.00  60.45) = 100.000%  kept
        T QD1   ILE  119 - HB    VAL  108  11.57 +/- 0.47   0.004% *  0.4775% (0.73   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL  108  14.28 +/- 0.53   0.001% *  0.6346% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL  108  12.87 +/- 0.84   0.002% *  0.2468% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.89 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 = 60.4:
    * O T HA    VAL  108 - QG1   VAL  108   2.38 +/- 0.13  92.447% * 99.0872% (1.00   3.97  60.45) =  99.987%  kept
          HA1   GLY  109 - QG1   VAL  108   3.72 +/- 0.35   7.528% *  0.1541% (0.31   0.02   7.31) =   0.013%
          HA    ALA   47 - QG1   VAL  108  10.72 +/- 0.82   0.012% *  0.4895% (0.98   0.02   0.02) =   0.000%
          HA    CYS   50 - QG1   VAL  108  10.82 +/- 0.65   0.011% *  0.1703% (0.34   0.02   0.02) =   0.000%
          HA    TRP   49 - QG1   VAL  108  14.45 +/- 0.69   0.002% *  0.0988% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.05 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 +/- 0.01  99.927% * 96.8654% (1.00   3.44  60.45) = 100.000%  kept
          HB2   PRO   93 - QG1   VAL  108   7.37 +/- 0.75   0.069% *  0.4510% (0.80   0.02   0.02) =   0.000%
          HB    ILE  119 - QG1   VAL  108  13.11 +/- 0.39   0.002% *  0.5199% (0.92   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG1   VAL  108  13.78 +/- 0.41   0.001% *  0.5582% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG1   VAL  108  18.49 +/- 0.95   0.000% *  0.5199% (0.92   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG1   VAL  108  20.18 +/- 0.70   0.000% *  0.4885% (0.87   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG1   VAL  108  19.41 +/- 0.99   0.000% *  0.3643% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG1   VAL  108  22.05 +/- 0.85   0.000% *  0.1566% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL  108  30.46 +/- 2.62   0.000% *  0.0762% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.95 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   2.05 +/- 0.06  99.988% * 98.8127% (1.00   3.44  60.45) = 100.000%  kept
          QD1   ILE  119 - QG1   VAL  108  10.42 +/- 0.40   0.006% *  0.4172% (0.73   0.02   0.02) =   0.000%
          HB2   LEU  104 - QG1   VAL  108  13.01 +/- 0.50   0.002% *  0.5544% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL  108  11.24 +/- 0.77   0.004% *  0.2156% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.37 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   2.45 +/- 0.22  97.607% * 98.9038% (1.00   3.30  60.45) =  99.995%  kept
          HA1   GLY  109 - QG2   VAL  108   5.57 +/- 0.58   2.376% *  0.1851% (0.31   0.02   7.31) =   0.005%
          HA    ALA   47 - QG2   VAL  108  12.20 +/- 0.70   0.008% *  0.5878% (0.98   0.02   0.02) =   0.000%
          HA    CYS   50 - QG2   VAL  108  12.43 +/- 0.64   0.007% *  0.2046% (0.34   0.02   0.02) =   0.000%
          HA    TRP   49 - QG2   VAL  108  16.27 +/- 0.66   0.001% *  0.1187% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.13 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 +/- 0.02  99.971% * 96.4222% (1.00   3.00  60.45) = 100.000%  kept
          HB2   PRO   93 - QG2   VAL  108   8.60 +/- 0.72   0.025% *  0.5147% (0.80   0.02   0.02) =   0.000%
        T HB    ILE  119 - QG2   VAL  108  12.21 +/- 0.46   0.003% *  0.5934% (0.92   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   VAL  108  15.25 +/- 0.59   0.001% *  0.6371% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  108  17.75 +/- 0.98   0.000% *  0.5934% (0.92   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  108  18.19 +/- 0.82   0.000% *  0.5576% (0.87   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  108  18.88 +/- 1.09   0.000% *  0.4158% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  108  20.98 +/- 1.03   0.000% *  0.1787% (0.28   0.02   0.02) =   0.000%
          HG2   MET   11 - QG2   VAL  108  29.86 +/- 2.85   0.000% *  0.0870% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.91 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   2.05 +/- 0.06  99.992% * 99.1953% (1.00   3.44  60.45) = 100.000%  kept
          QD1   LEU   40 - QG2   VAL  108  11.37 +/- 0.79   0.004% *  0.2165% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   63 - QG2   VAL  108  12.84 +/- 0.49   0.002% *  0.3731% (0.65   0.02   0.02) =   0.000%
          QG1   VAL   18 - QG2   VAL  108  12.57 +/- 0.74   0.002% *  0.1141% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   67 - QG2   VAL  108  14.14 +/- 1.06   0.001% *  0.1010% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.74 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 = 9.42:
    * O T HA2   GLY  109 - HA1   GLY  109   1.75 +/- 0.00  99.998% * 96.7677% (1.00   2.00   9.42) = 100.000%  kept
          HA    ALA   84 - HA1   GLY  109  12.96 +/- 0.82   0.001% *  0.9154% (0.95   0.02   0.02) =   0.000%
        T HB2   TRP   49 - HA1   GLY  109  12.96 +/- 0.74   0.001% *  0.7749% (0.80   0.02   0.02) =   0.000%
          HA    THR  118 - HA1   GLY  109  13.75 +/- 0.25   0.000% *  0.8394% (0.87   0.02   0.02) =   0.000%
          HA    ILE  119 - HA1   GLY  109  14.94 +/- 0.35   0.000% *  0.7027% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 9.42:
    * O T HA1   GLY  109 - HA2   GLY  109   1.75 +/- 0.00  99.644% * 96.1496% (1.00   2.00   9.42) =  99.999%  kept
          HA    VAL  108 - HA2   GLY  109   4.49 +/- 0.03   0.353% *  0.2968% (0.31   0.02   7.31) =   0.001%
        T HA    CYS   50 - HA2   GLY  109  10.88 +/- 0.61   0.002% *  0.9594% (1.00   0.02   0.02) =   0.000%
          HA    ALA   47 - HA2   GLY  109  12.24 +/- 0.78   0.001% *  0.3953% (0.41   0.02   0.02) =   0.000%
        T HA    TRP   49 - HA2   GLY  109  15.26 +/- 0.81   0.000% *  0.9279% (0.97   0.02   0.02) =   0.000%
          HA    CYS   21 - HA2   GLY  109  21.53 +/- 0.52   0.000% *  0.8031% (0.84   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HA2   GLY  109  20.99 +/- 0.41   0.000% *  0.4680% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 9.57:
    * O T QB    ALA  110 - HA    ALA  110   2.13 +/- 0.02  99.989% * 90.3368% (1.00   1.31   9.57) = 100.000%  kept
        T QB    ALA   61 - HA    ALA  110  10.54 +/- 0.29   0.007% *  1.2765% (0.92   0.02   0.02) =   0.000%
          QG    LYS+  66 - HA    ALA  110  14.57 +/- 0.73   0.001% *  0.8387% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    ALA  110  14.71 +/- 0.55   0.001% *  0.6731% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA  110  16.29 +/- 1.48   0.001% *  0.7275% (0.53   0.02   0.02) =   0.000%
          HB3   LEU   67 - HA    ALA  110  17.97 +/- 0.58   0.000% *  1.1072% (0.80   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA  110  18.81 +/- 0.91   0.000% *  1.3797% (1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - HA    ALA  110  17.51 +/- 0.38   0.000% *  0.5685% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA  110  19.43 +/- 0.74   0.000% *  0.9498% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    ALA  110  21.05 +/- 0.39   0.000% *  1.3706% (0.99   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    ALA  110  16.75 +/- 0.40   0.000% *  0.3448% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA  110  24.17 +/- 0.82   0.000% *  0.4268% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 9.57:
    * O T HA    ALA  110 - QB    ALA  110   2.13 +/- 0.02  99.245% * 92.4698% (1.00   1.31   9.57) =  99.991%  kept
          HA    PHE   55 - QB    ALA  110   5.18 +/- 0.69   0.648% *  1.2278% (0.87   0.02   0.46) =   0.009%
          HA    PHE   55 - QB    ALA   61   8.24 +/- 0.38   0.030% *  0.9086% (0.64   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA  110   8.46 +/- 0.26   0.025% *  0.4369% (0.31   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA  110   8.50 +/- 0.81   0.031% *  0.2801% (0.20   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA  110  11.05 +/- 0.49   0.005% *  1.3874% (0.98   0.02   0.02) =   0.000%
        T HA    ALA  110 - QB    ALA   61  10.54 +/- 0.29   0.007% *  1.0474% (0.74   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA   61  11.42 +/- 0.33   0.004% *  0.2912% (0.21   0.02   0.02) =   0.000%
          HA    VAL   42 - QB    ALA  110  13.49 +/- 0.35   0.002% *  0.3935% (0.28   0.02   0.02) =   0.000%
          HA    VAL  107 - QB    ALA   61  13.80 +/- 0.28   0.001% *  0.3233% (0.23   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   61  17.07 +/- 0.91   0.000% *  1.0267% (0.73   0.02   0.02) =   0.000%
          HA    ALA   91 - QB    ALA   61  16.53 +/- 0.32   0.000% *  0.2073% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.83 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 = 313.4:
    * O T HB2   LYS+ 111 - HA    LYS+ 111   2.64 +/- 0.09  97.618% * 98.4171% (1.00   7.98 313.41) =  99.997%  kept
          QB    GLU- 114 - HA    LYS+ 111   5.45 +/- 0.79   2.365% *  0.1396% (0.57   0.02   5.53) =   0.003%
          HB    ILE  119 - HA    LYS+ 111  11.36 +/- 0.38   0.016% *  0.0549% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 111  22.86 +/- 0.63   0.000% *  0.2443% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 111  25.13 +/- 0.53   0.000% *  0.2443% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LYS+ 111  24.80 +/- 0.97   0.000% *  0.2138% (0.87   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 111  22.88 +/- 0.30   0.000% *  0.1200% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 111  23.69 +/- 1.24   0.000% *  0.1014% (0.41   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HA    LYS+ 111  26.78 +/- 0.76   0.000% *  0.1200% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 111  31.11 +/- 0.36   0.000% *  0.2211% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    LYS+ 111  25.67 +/- 0.40   0.000% *  0.0549% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    LYS+ 111  28.33 +/- 0.47   0.000% *  0.0685% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 313.4:
    * O T HG2   LYS+ 111 - HA    LYS+ 111   3.51 +/- 0.24  99.018% * 98.0045% (1.00   7.31 313.41) =  99.999%  kept
          HB3   PRO   93 - HA    LYS+ 111   8.01 +/- 0.45   0.816% *  0.0828% (0.31   0.02   0.02) =   0.001%
          HB3   ASP-  44 - HA    LYS+ 111  13.50 +/- 0.68   0.033% *  0.1948% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    LYS+ 111  14.16 +/- 0.29   0.024% *  0.2240% (0.84   0.02   0.02) =   0.000%
          QB    ALA   88 - HA    LYS+ 111  14.04 +/- 0.65   0.026% *  0.1202% (0.45   0.02   0.02) =   0.000%
          QG2   THR   77 - HA    LYS+ 111  12.26 +/- 0.44   0.058% *  0.0414% (0.15   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 111  15.54 +/- 0.45   0.014% *  0.0915% (0.34   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 111  19.16 +/- 0.79   0.004% *  0.1518% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    LYS+ 111  22.30 +/- 1.29   0.002% *  0.2476% (0.92   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 111  19.81 +/- 1.06   0.003% *  0.1202% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    LYS+ 111  24.44 +/- 0.47   0.001% *  0.2405% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    LYS+ 111  27.13 +/- 0.54   0.000% *  0.2658% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    LYS+ 111  31.36 +/- 0.41   0.000% *  0.2148% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1373 (1.22, 4.53, 54.74 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 313.4:
    * O T HG3   LYS+ 111 - HA    LYS+ 111   2.42 +/- 0.32  99.484% * 99.1487% (1.00   7.31 313.41) =  99.999%  kept
          HD2   LYS+ 112 - HA    LYS+ 111   7.08 +/- 0.85   0.513% *  0.1017% (0.38   0.02  25.46) =   0.001%
          HG12  ILE   89 - HA    LYS+ 111  16.22 +/- 0.47   0.002% *  0.2687% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HA    LYS+ 111  17.02 +/- 0.93   0.001% *  0.1017% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 111  24.24 +/- 0.62   0.000% *  0.1215% (0.45   0.02   0.02) =   0.000%
          HG    LEU   71 - HA    LYS+ 111  25.00 +/- 0.63   0.000% *  0.1115% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    LYS+ 111  24.42 +/- 0.48   0.000% *  0.0925% (0.34   0.02   0.02) =   0.000%
          HG13  ILE   19 - HA    LYS+ 111  24.88 +/- 0.28   0.000% *  0.0537% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.38 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 = 313.4:
    *   T HD2   LYS+ 111 - HA    LYS+ 111   3.01 +/- 0.36  99.329% * 97.9786% (1.00   6.21 313.41) =  99.998%  kept
          HB3   MET   92 - HA    LYS+ 111   8.75 +/- 1.09   0.311% *  0.3095% (0.98   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    LYS+ 111   8.04 +/- 0.30   0.330% *  0.2739% (0.87   0.02   0.02) =   0.001%
          QD    LYS+ 106 - HA    LYS+ 111  13.38 +/- 0.83   0.021% *  0.2293% (0.73   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    LYS+ 111  17.33 +/- 0.39   0.003% *  0.2832% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LYS+ 111  20.29 +/- 0.35   0.001% *  0.2832% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    LYS+ 111  20.50 +/- 0.46   0.001% *  0.2169% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+ 111  22.57 +/- 0.62   0.001% *  0.2169% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  18.92 +/- 0.85   0.002% *  0.0487% (0.15   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  22.82 +/- 0.50   0.001% *  0.0625% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 111  28.64 +/- 0.30   0.000% *  0.0975% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 313.4:
    *   T HD3   LYS+ 111 - HA    LYS+ 111   3.91 +/- 0.57  99.556% * 98.6169% (1.00   6.21 313.41) =  99.999%  kept
          QB    ALA   57 - HA    LYS+ 111  10.38 +/- 0.34   0.348% *  0.3171% (1.00   0.02   0.02) =   0.001%
          HD2   LYS+  74 - HA    LYS+ 111  16.19 +/- 0.55   0.025% *  0.2654% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    LYS+ 111  14.67 +/- 0.78   0.045% *  0.0884% (0.28   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    LYS+ 111  18.24 +/- 0.79   0.012% *  0.2850% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 111  18.92 +/- 0.85   0.010% *  0.0792% (0.25   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HA    LYS+ 111  26.94 +/- 1.05   0.001% *  0.2850% (0.90   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 111  22.82 +/- 0.50   0.003% *  0.0629% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 313.4:
    *   T QE    LYS+ 111 - HA    LYS+ 111   2.69 +/- 0.42  99.990% * 99.4651% (1.00   5.62 313.41) = 100.000%  kept
          HB2   PHE   45 - HA    LYS+ 111  13.33 +/- 0.31   0.009% *  0.3346% (0.95   0.02   0.02) =   0.000%
          HB2   CYS   21 - HA    LYS+ 111  21.96 +/- 0.39   0.000% *  0.2003% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1377 (4.53, 2.02, 33.52 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 7.98, residual support = 313.4:
    * O T HA    LYS+ 111 - HB2   LYS+ 111   2.64 +/- 0.09  99.980% * 99.7556% (1.00   7.98 313.41) = 100.000%  kept
          HA    PRO   52 - HB2   LYS+ 111  11.07 +/- 0.37   0.019% *  0.1616% (0.65   0.02   0.02) =   0.000%
          HA    PRO   52 - HG3   GLN   30  24.83 +/- 0.72   0.000% *  0.0325% (0.13   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG3   GLN   30  26.78 +/- 0.76   0.000% *  0.0502% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 313.4:
    * O T HG2   LYS+ 111 - HB2   LYS+ 111   2.74 +/- 0.10  99.357% * 97.5627% (1.00   7.31 313.41) = 100.000%  kept
          HB2   LEU   31 - HG3   GLN   30   7.12 +/- 0.64   0.459% *  0.0531% (0.20   0.02  50.84) =   0.000%
          HB3   PRO   93 - HB2   LYS+ 111   9.02 +/- 0.51   0.090% *  0.0823% (0.31   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB2   LYS+ 111  13.78 +/- 0.90   0.008% *  0.1937% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB2   LYS+ 111  14.18 +/- 0.49   0.006% *  0.2228% (0.84   0.02   0.02) =   0.000%
          QB    ALA   88 - HB2   LYS+ 111  13.22 +/- 0.82   0.010% *  0.1196% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   GLN   30  12.35 +/- 0.76   0.013% *  0.0495% (0.19   0.02   0.02) =   0.000%
          QG2   THR   77 - HB2   LYS+ 111  12.86 +/- 0.59   0.011% *  0.0412% (0.15   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   GLN   30  13.41 +/- 0.62   0.008% *  0.0389% (0.15   0.02   0.02) =   0.000%
          QB    ALA   84 - HB2   LYS+ 111  15.66 +/- 0.59   0.003% *  0.0910% (0.34   0.02   0.02) =   0.000%
          QB    ALA  124 - HB2   LYS+ 111  18.23 +/- 0.90   0.001% *  0.1510% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   GLN   30  14.92 +/- 0.48   0.004% *  0.0429% (0.16   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   GLN   30  13.22 +/- 0.73   0.009% *  0.0183% (0.07   0.02   0.02) =   0.000%
          HG    LEU   98 - HB2   LYS+ 111  18.66 +/- 1.34   0.001% *  0.1196% (0.45   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   GLN   30  13.88 +/- 0.79   0.006% *  0.0240% (0.09   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   GLN   30  16.28 +/- 0.76   0.002% *  0.0448% (0.17   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   GLN   30  16.53 +/- 0.76   0.002% *  0.0481% (0.18   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB2   LYS+ 111  22.59 +/- 1.42   0.000% *  0.2463% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB2   LYS+ 111  23.05 +/- 0.73   0.000% *  0.2392% (0.90   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLN   30  14.10 +/- 0.55   0.006% *  0.0083% (0.03   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   GLN   30  17.27 +/- 0.83   0.002% *  0.0240% (0.09   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB2   LYS+ 111  26.65 +/- 0.85   0.000% *  0.2644% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   GLN   30  19.57 +/- 1.02   0.001% *  0.0165% (0.06   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB2   LYS+ 111  30.23 +/- 0.64   0.000% *  0.2136% (0.80   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   GLN   30  22.83 +/- 1.07   0.000% *  0.0304% (0.11   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   GLN   30  27.13 +/- 0.79   0.000% *  0.0536% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 313.4:
    * O T HG3   LYS+ 111 - HB2   LYS+ 111   2.97 +/- 0.13  95.579% * 98.9214% (1.00   7.29 313.41) =  99.999%  kept
          HD2   LYS+ 112 - HB2   LYS+ 111   8.43 +/- 0.82   0.322% *  0.1019% (0.38   0.02  25.46) =   0.000%
          HG13  ILE   19 - HG3   GLN   30   5.81 +/- 0.99   2.832% *  0.0108% (0.04   0.02  13.86) =   0.000%
          HG    LEU   71 - HG3   GLN   30   6.95 +/- 0.99   0.947% *  0.0224% (0.08   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   GLN   30   8.24 +/- 0.88   0.272% *  0.0245% (0.09   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 111  15.74 +/- 0.71   0.004% *  0.2691% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG3   GLN   30  11.31 +/- 0.64   0.034% *  0.0205% (0.08   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HB2   LYS+ 111  17.79 +/- 1.11   0.002% *  0.1019% (0.38   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   GLN   30  16.79 +/- 0.91   0.003% *  0.0541% (0.20   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HG3   GLN   30  17.23 +/- 1.22   0.003% *  0.0186% (0.07   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 111  23.83 +/- 0.77   0.000% *  0.1217% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB2   LYS+ 111  22.97 +/- 0.71   0.000% *  0.0926% (0.34   0.02   0.02) =   0.000%
        T HG    LEU   71 - HB2   LYS+ 111  24.77 +/- 0.84   0.000% *  0.1116% (0.41   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HB2   LYS+ 111  25.34 +/- 0.56   0.000% *  0.0537% (0.20   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - HG3   GLN   30  27.01 +/- 0.82   0.000% *  0.0546% (0.20   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG3   GLN   30  27.11 +/- 0.98   0.000% *  0.0205% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1381 (1.69, 2.02, 33.52 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 313.4:
    * O T HD2   LYS+ 111 - HB2   LYS+ 111   2.44 +/- 0.61  98.996% * 97.6704% (1.00   6.62 313.41) =  99.999%  kept
          HB2   LEU   73 - HG3   GLN   30   6.70 +/- 0.63   0.770% *  0.0532% (0.18   0.02   5.22) =   0.000%
          HB3   MET   92 - HB2   LYS+ 111   9.61 +/- 1.35   0.108% *  0.2894% (0.98   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB2   LYS+ 111   9.68 +/- 0.34   0.058% *  0.2561% (0.87   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB2   LYS+ 111  11.71 +/- 1.08   0.034% *  0.2144% (0.73   0.02   0.02) =   0.000%
          HB2   LEU  123 - HB2   LYS+ 111  16.31 +/- 0.53   0.003% *  0.2648% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  99 - HB2   LYS+ 111  19.20 +/- 0.68   0.001% *  0.2028% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB2   LYS+ 111  20.31 +/- 0.73   0.001% *  0.2648% (0.90   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  12.69 +/- 0.90   0.013% *  0.0117% (0.04   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB2   LYS+ 111  20.82 +/- 0.82   0.001% *  0.2028% (0.69   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG3   GLN   30  16.04 +/- 0.57   0.003% *  0.0408% (0.14   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   GLN   30  15.45 +/- 0.53   0.004% *  0.0183% (0.06   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG3   GLN   30  18.99 +/- 1.35   0.001% *  0.0431% (0.15   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  19.58 +/- 0.83   0.001% *  0.0456% (0.15   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   GLN   30  19.93 +/- 0.91   0.001% *  0.0408% (0.14   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG3   GLN   30  21.40 +/- 0.99   0.001% *  0.0515% (0.17   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  16.27 +/- 1.21   0.003% *  0.0092% (0.03   0.02   0.02) =   0.000%
          HB3   MET   92 - HG3   GLN   30  22.44 +/- 0.98   0.000% *  0.0582% (0.20   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  22.80 +/- 0.72   0.000% *  0.0584% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB2   LYS+ 111  27.49 +/- 0.56   0.000% *  0.0911% (0.31   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   GLN   30  25.40 +/- 0.91   0.000% *  0.0532% (0.18   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG3   GLN   30  28.71 +/- 1.02   0.000% *  0.0593% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 1 structures by 0.06 A, kept.
 
    Peak 1382 (1.64, 2.02, 33.52 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 313.4:
    * O T HD3   LYS+ 111 - HB2   LYS+ 111   2.98 +/- 0.16  97.811% * 98.3856% (1.00   6.62 313.41) =  99.999%  kept
        T QD    LYS+  33 - HG3   GLN   30   5.94 +/- 0.69   2.087% *  0.0536% (0.18   0.02   0.02) =   0.001%
          QB    ALA   57 - HB2   LYS+ 111  11.90 +/- 0.29   0.025% *  0.2968% (1.00   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HB2   LYS+ 111  13.01 +/- 0.81   0.016% *  0.0827% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   GLN   30  11.99 +/- 0.72   0.025% *  0.0499% (0.17   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB2   LYS+ 111  16.99 +/- 0.73   0.003% *  0.2484% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  123 - HB2   LYS+ 111  17.32 +/- 0.79   0.003% *  0.2667% (0.90   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   GLN   30  12.69 +/- 0.90   0.020% *  0.0118% (0.04   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   GLN   30  16.71 +/- 0.56   0.003% *  0.0596% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB2   LYS+ 111  19.58 +/- 0.83   0.001% *  0.0742% (0.25   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   GLN   30  16.27 +/- 1.21   0.004% *  0.0149% (0.05   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LYS+ 111  26.74 +/- 1.23   0.000% *  0.2667% (0.90   0.02   0.02) =   0.000%
          HB    VAL   83 - HB2   LYS+ 111  22.80 +/- 0.72   0.001% *  0.0589% (0.20   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   GLN   30  25.68 +/- 0.94   0.000% *  0.0536% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   GLN   30  22.97 +/- 0.65   0.000% *  0.0166% (0.06   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   GLN   30  28.96 +/- 1.19   0.000% *  0.0598% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1383 (3.06, 2.02, 33.52 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.06, residual support = 313.4:
    *   T QE    LYS+ 111 - HB2   LYS+ 111   3.40 +/- 0.66  98.560% * 99.3382% (1.00   6.06 313.41) =  99.999%  kept
          HB2   CYS   21 - HG3   GLN   30   7.54 +/- 0.58   1.384% *  0.0373% (0.11   0.02   0.02) =   0.001%
          HB2   PHE   45 - HB2   LYS+ 111  13.57 +/- 0.59   0.038% *  0.3104% (0.95   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   GLN   30  15.51 +/- 0.65   0.015% *  0.0624% (0.19   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB2   LYS+ 111  22.45 +/- 0.59   0.002% *  0.1858% (0.57   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG3   GLN   30  25.95 +/- 0.81   0.001% *  0.0659% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.95 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 = 313.4:
    * O T HA    LYS+ 111 - HG2   LYS+ 111   3.51 +/- 0.24  99.858% * 99.8233% (1.00   7.31 313.41) = 100.000%  kept
          HA    PRO   52 - HG2   LYS+ 111  10.63 +/- 0.39   0.142% *  0.1767% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.07 A, kept.
 
    Peak 1385 (2.02, 1.33, 24.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.31, residual support = 313.4:
    * O T HB2   LYS+ 111 - HG2   LYS+ 111   2.74 +/- 0.10  93.843% * 98.2747% (1.00   7.31 313.41) =  99.990%  kept
          QB    GLU- 114 - HG2   LYS+ 111   4.70 +/- 0.70   6.148% *  0.1521% (0.57   0.02   5.53) =   0.010%
          HB    ILE  119 - HG2   LYS+ 111  13.07 +/- 0.50   0.008% *  0.0598% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   LYS+ 111  24.67 +/- 0.64   0.000% *  0.2663% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+ 111  26.27 +/- 0.60   0.000% *  0.2663% (0.99   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   LYS+ 111  23.76 +/- 0.31   0.000% *  0.1308% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+ 111  26.40 +/- 1.07   0.000% *  0.2331% (0.87   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+ 111  25.26 +/- 1.51   0.000% *  0.1105% (0.41   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   LYS+ 111  27.13 +/- 0.79   0.000% *  0.1308% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+ 111  30.90 +/- 0.44   0.000% *  0.2410% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+ 111  25.93 +/- 0.52   0.000% *  0.0598% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+ 111  27.50 +/- 0.53   0.000% *  0.0747% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 313.4:
    * O T HG3   LYS+ 111 - HG2   LYS+ 111   1.75 +/- 0.00  99.996% * 99.1085% (1.00   6.98 313.41) = 100.000%  kept
          HD2   LYS+ 112 - HG2   LYS+ 111  10.41 +/- 0.93   0.004% *  0.1065% (0.38   0.02  25.46) =   0.000%
        T HG12  ILE   89 - HG2   LYS+ 111  14.64 +/- 0.54   0.000% *  0.2814% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HG2   LYS+ 111  17.92 +/- 0.82   0.000% *  0.1065% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 111  24.72 +/- 0.76   0.000% *  0.1273% (0.45   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG2   LYS+ 111  23.97 +/- 0.53   0.000% *  0.0968% (0.34   0.02   0.02) =   0.000%
          HG    LEU   71 - HG2   LYS+ 111  25.63 +/- 0.58   0.000% *  0.1167% (0.41   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG2   LYS+ 111  25.95 +/- 0.29   0.000% *  0.0562% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.40 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 = 313.4:
    * O T HD2   LYS+ 111 - HG2   LYS+ 111   2.88 +/- 0.09  99.553% * 97.9786% (1.00   6.21 313.41) =  99.999%  kept
          HB3   MET   92 - HG2   LYS+ 111   8.01 +/- 1.47   0.310% *  0.3095% (0.98   0.02   0.02) =   0.001%
          HG3   PRO   93 - HG2   LYS+ 111   9.10 +/- 0.47   0.106% *  0.2739% (0.87   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+ 111  11.63 +/- 0.71   0.026% *  0.2293% (0.73   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+ 111  18.66 +/- 0.59   0.001% *  0.2832% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   LYS+ 111  20.51 +/- 0.36   0.001% *  0.2832% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+ 111  20.27 +/- 0.51   0.001% *  0.2169% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+ 111  21.03 +/- 0.71   0.001% *  0.2169% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  21.09 +/- 0.79   0.001% *  0.0487% (0.15   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  21.84 +/- 0.51   0.001% *  0.0625% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+ 111  28.18 +/- 0.41   0.000% *  0.0975% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 313.4:
    * O T HD3   LYS+ 111 - HG2   LYS+ 111   2.33 +/- 0.16  99.992% * 98.6169% (1.00   6.21 313.41) = 100.000%  kept
          QB    ALA   57 - HG2   LYS+ 111  12.56 +/- 0.31   0.004% *  0.3171% (1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG2   LYS+ 111  17.14 +/- 0.69   0.001% *  0.2655% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+ 111  14.86 +/- 0.78   0.002% *  0.0884% (0.28   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+ 111  19.70 +/- 0.77   0.000% *  0.2850% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+ 111  21.09 +/- 0.79   0.000% *  0.0792% (0.25   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+ 111  27.32 +/- 0.93   0.000% *  0.2850% (0.90   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 111  21.84 +/- 0.51   0.000% *  0.0629% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1390 (3.06, 1.33, 24.92 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 313.4:
    * O T QE    LYS+ 111 - HG2   LYS+ 111   2.94 +/- 0.30  99.983% * 99.4651% (1.00   5.62 313.41) = 100.000%  kept
          HB2   PHE   45 - HG2   LYS+ 111  12.88 +/- 0.37   0.017% *  0.3346% (0.95   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG2   LYS+ 111  22.21 +/- 0.50   0.001% *  0.2003% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 313.4:
    * O T HA    LYS+ 111 - HG3   LYS+ 111   2.42 +/- 0.32  99.955% * 99.7755% (1.00   7.31 313.41) = 100.000%  kept
          HA    PRO   52 - HG3   LYS+ 111   9.21 +/- 0.70   0.039% *  0.1765% (0.65   0.02   0.02) =   0.000%
          HA    PRO   52 - HG2   LYS+  74  13.79 +/- 0.55   0.005% *  0.0189% (0.07   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - HG2   LYS+  74  17.02 +/- 0.93   0.001% *  0.0292% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1392 (2.02, 1.22, 24.92 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 7.29, residual support = 313.4:
    * O T HB2   LYS+ 111 - HG3   LYS+ 111   2.97 +/- 0.13  95.869% * 98.0584% (1.00   7.29 313.41) =  99.994%  kept
          QB    GLU- 114 - HG3   LYS+ 111   5.53 +/- 0.86   3.624% *  0.1524% (0.57   0.02   5.53) =   0.006%
        T HB    ILE   19 - HG2   LYS+  74   7.82 +/- 0.51   0.329% *  0.0140% (0.05   0.02   8.48) =   0.000%
          HB2   GLN   17 - HG2   LYS+  74  10.23 +/- 0.45   0.061% *  0.0285% (0.11   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   LYS+ 111  13.03 +/- 0.45   0.014% *  0.0599% (0.22   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG2   LYS+  74  11.31 +/- 0.64   0.034% *  0.0140% (0.05   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   LYS+  74  13.81 +/- 0.83   0.011% *  0.0285% (0.11   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG2   LYS+  74  11.20 +/- 0.29   0.035% *  0.0064% (0.02   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   LYS+  74  15.61 +/- 0.96   0.005% *  0.0258% (0.10   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   LYS+ 111  24.07 +/- 0.57   0.000% *  0.2668% (0.99   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   LYS+  74  15.69 +/- 1.02   0.005% *  0.0163% (0.06   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - HG2   LYS+  74  17.79 +/- 1.11   0.002% *  0.0288% (0.11   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   LYS+  74  18.14 +/- 1.97   0.002% *  0.0250% (0.09   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   LYS+ 111  26.05 +/- 0.66   0.000% *  0.2668% (0.99   0.02   0.02) =   0.000%
        T HB    ILE   19 - HG3   LYS+ 111  23.46 +/- 0.35   0.000% *  0.1310% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   LYS+ 111  26.24 +/- 0.98   0.000% *  0.2335% (0.87   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG3   LYS+ 111  25.14 +/- 1.35   0.000% *  0.1107% (0.41   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   LYS+  74  18.23 +/- 1.42   0.002% *  0.0118% (0.04   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   LYS+  74  16.69 +/- 1.48   0.004% *  0.0064% (0.02   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   LYS+ 111  27.01 +/- 0.82   0.000% *  0.1310% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   LYS+ 111  30.77 +/- 0.49   0.000% *  0.2414% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   LYS+ 111  25.91 +/- 0.44   0.000% *  0.0599% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   LYS+ 111  28.25 +/- 0.79   0.000% *  0.0748% (0.28   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   LYS+  74  22.38 +/- 1.33   0.001% *  0.0080% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 313.4:
    * O T HG2   LYS+ 111 - HG3   LYS+ 111   1.75 +/- 0.00  99.384% * 97.6662% (1.00   6.98 313.41) = 100.000%  kept
          HB3   ASP-  44 - HG2   LYS+  74   5.28 +/- 1.39   0.554% *  0.0217% (0.08   0.02   6.00) =   0.000%
          HB3   PRO   93 - HG3   LYS+ 111   8.12 +/- 0.58   0.011% *  0.0863% (0.31   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   LYS+  74   7.04 +/- 0.73   0.029% *  0.0046% (0.02   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+ 111  12.71 +/- 0.69   0.001% *  0.1254% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG2   LYS+  74  10.29 +/- 1.31   0.003% *  0.0276% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG2   LYS+  74  10.38 +/- 1.52   0.004% *  0.0250% (0.09   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 111  13.99 +/- 0.73   0.000% *  0.2032% (0.73   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+  74   9.17 +/- 0.64   0.005% *  0.0102% (0.04   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+ 111  11.63 +/- 0.47   0.001% *  0.0432% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+ 111  15.45 +/- 0.29   0.000% *  0.2337% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG2   LYS+  74   9.43 +/- 1.09   0.005% *  0.0092% (0.03   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 111  14.65 +/- 0.46   0.000% *  0.0954% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG2   LYS+  74  14.40 +/- 0.47   0.000% *  0.0296% (0.11   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+ 111  21.59 +/- 1.24   0.000% *  0.2583% (0.92   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 111  19.44 +/- 1.18   0.000% *  0.1254% (0.45   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 111  20.38 +/- 0.81   0.000% *  0.1584% (0.57   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   LYS+  74  13.64 +/- 0.68   0.000% *  0.0134% (0.05   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+  74  13.96 +/- 1.21   0.000% *  0.0134% (0.05   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG3   LYS+ 111  24.68 +/- 0.75   0.000% *  0.2509% (0.90   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG2   LYS+  74  17.92 +/- 0.82   0.000% *  0.0299% (0.11   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+ 111  26.87 +/- 0.61   0.000% *  0.2773% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HG2   LYS+  74  19.22 +/- 1.55   0.000% *  0.0268% (0.10   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG3   LYS+ 111  31.46 +/- 0.69   0.000% *  0.2240% (0.80   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+  74  20.94 +/- 1.40   0.000% *  0.0169% (0.06   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG2   LYS+  74  22.12 +/- 0.82   0.000% *  0.0239% (0.09   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1394 (1.22, 1.22, 24.92 ppm):
    2 diagonal assignments:
    *     HG3   LYS+ 111 - HG3   LYS+ 111  (1.00)  kept
          HG2   LYS+  74 - HG2   LYS+  74  (0.04)  kept
 
    Peak 1395 (1.69, 1.22, 24.92 ppm):
    22 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 313.4:
    * O T HD2   LYS+ 111 - HG3   LYS+ 111   2.72 +/- 0.24  98.805% * 97.4042% (1.00   5.40 313.41) =  99.998%  kept
          HB3   MET   92 - HG3   LYS+ 111   7.60 +/- 1.33   0.316% *  0.3537% (0.98   0.02   0.02) =   0.001%
          HG3   PRO   93 - HG3   LYS+ 111   8.09 +/- 0.64   0.183% *  0.3130% (0.87   0.02   0.02) =   0.001%
          HB2   LEU   73 - HG2   LYS+  74   6.55 +/- 0.39   0.596% *  0.0346% (0.10   0.02  43.90) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+ 111  12.63 +/- 1.08   0.012% *  0.2620% (0.73   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+  74  10.73 +/- 0.93   0.031% *  0.0335% (0.09   0.02   0.02) =   0.000%
          HB3   MET   92 - HG2   LYS+  74  12.70 +/- 1.13   0.012% *  0.0378% (0.10   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG3   LYS+ 111  18.85 +/- 0.50   0.001% *  0.3236% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+ 111  20.42 +/- 0.46   0.001% *  0.3236% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG3   LYS+ 111  20.84 +/- 0.71   0.001% *  0.2479% (0.69   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  11.93 +/- 0.87   0.017% *  0.0076% (0.02   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG3   LYS+ 111  22.02 +/- 0.93   0.000% *  0.2479% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG2   LYS+  74  15.54 +/- 1.04   0.003% *  0.0280% (0.08   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  12.93 +/- 1.91   0.016% *  0.0060% (0.02   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG2   LYS+  74  17.22 +/- 1.26   0.002% *  0.0265% (0.07   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.48 +/- 0.84   0.001% *  0.0557% (0.15   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG2   LYS+  74  19.27 +/- 1.25   0.001% *  0.0386% (0.11   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.96 +/- 0.54   0.000% *  0.0714% (0.20   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   LYS+  74  21.15 +/- 1.86   0.001% *  0.0346% (0.10   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   LYS+  74  21.11 +/- 0.95   0.001% *  0.0265% (0.07   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG3   LYS+ 111  28.72 +/- 0.57   0.000% *  0.1114% (0.31   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   LYS+  74  21.40 +/- 0.74   0.000% *  0.0119% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 0.883, support = 5.42, residual support = 294.9:
    * O T HD3   LYS+ 111 - HG3   LYS+ 111   2.93 +/- 0.04  38.183% * 90.1245% (1.00   5.40 313.41) =  87.099%  kept
      O T HD2   LYS+  74 - HG2   LYS+  74   2.70 +/- 0.22  61.697% *  8.2612% (0.09   5.54 170.13) =  12.901%  kept
          QB    ALA   57 - HG3   LYS+ 111  11.58 +/- 0.55   0.010% *  0.3332% (1.00   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+  74   8.20 +/- 0.59   0.085% *  0.0356% (0.11   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HG3   LYS+ 111  16.61 +/- 0.57   0.001% *  0.2789% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG3   LYS+ 111  15.47 +/- 0.90   0.002% *  0.0928% (0.28   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG3   LYS+ 111  19.84 +/- 0.79   0.000% *  0.2995% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   LYS+  74  14.48 +/- 0.96   0.003% *  0.0320% (0.10   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+  74  11.93 +/- 0.87   0.010% *  0.0071% (0.02   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   LYS+  74  12.93 +/- 1.91   0.007% *  0.0089% (0.03   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG3   LYS+ 111  20.48 +/- 0.84   0.000% *  0.0833% (0.25   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   LYS+  74  19.69 +/- 1.41   0.001% *  0.0357% (0.11   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   LYS+ 111  27.33 +/- 1.01   0.000% *  0.2995% (0.90   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 111  21.96 +/- 0.54   0.000% *  0.0661% (0.20   0.02   0.02) =   0.000%
          HB3   LEU  123 - HG2   LYS+  74  21.63 +/- 2.09   0.000% *  0.0320% (0.10   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   LYS+  74  18.72 +/- 1.49   0.001% *  0.0099% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 313.4:
    * O T QE    LYS+ 111 - HG3   LYS+ 111   2.20 +/- 0.36  99.484% * 99.3499% (1.00   5.44 313.41) = 100.000%  kept
          HB2   CYS   21 - HG2   LYS+  74   6.17 +/- 0.90   0.392% *  0.0221% (0.06   0.02   8.54) =   0.000%
          HB2   PHE   45 - HG2   LYS+  74   7.54 +/- 0.52   0.118% *  0.0369% (0.10   0.02   0.02) =   0.000%
          HB2   PHE   45 - HG3   LYS+ 111  12.78 +/- 0.37   0.005% *  0.3454% (0.95   0.02   0.02) =   0.000%
          HB2   CYS   21 - HG3   LYS+ 111  21.91 +/- 0.42   0.000% *  0.2067% (0.57   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - HG2   LYS+  74  17.23 +/- 0.87   0.001% *  0.0390% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 313.4:
    *   T HA    LYS+ 111 - HD2   LYS+ 111   3.01 +/- 0.36  99.937% * 99.5337% (1.00   6.21 313.41) = 100.000%  kept
          HA    PRO   52 - HD2   LYS+ 111  10.95 +/- 0.77   0.057% *  0.2075% (0.65   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  18.92 +/- 0.85   0.002% *  0.0491% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  17.99 +/- 0.90   0.003% *  0.0318% (0.10   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+ 102  22.57 +/- 0.62   0.001% *  0.0839% (0.26   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+ 102  26.80 +/- 0.57   0.000% *  0.0542% (0.17   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  38  28.64 +/- 0.30   0.000% *  0.0241% (0.08   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  38  30.97 +/- 0.29   0.000% *  0.0156% (0.05   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1399 (2.02, 1.69, 29.56 ppm):
    48 chemical-shift based assignments, quality = 1.0, support = 6.62, residual support = 313.4:
    * O T HB2   LYS+ 111 - HD2   LYS+ 111   2.44 +/- 0.61  91.629% * 97.0497% (1.00   6.62 313.41) =  99.996%  kept
          QB    GLU- 114 - HD2   LYS+ 111   5.22 +/- 1.02   1.448% *  0.1661% (0.57   0.02   5.53) =   0.003%
          HB2   GLN   17 - QD    LYS+  65   6.46 +/- 1.43   0.874% *  0.0445% (0.15   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  38   4.66 +/- 0.97   4.703% *  0.0061% (0.02   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+ 102   7.51 +/- 1.57   0.552% *  0.0213% (0.07   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  65   8.23 +/- 2.19   0.246% *  0.0390% (0.13   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   8.28 +/- 2.38   0.417% *  0.0185% (0.06   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65   9.62 +/- 0.92   0.051% *  0.0445% (0.15   0.02   0.02) =   0.000%
          HB    ILE  119 - HD2   LYS+ 111  12.74 +/- 0.86   0.007% *  0.0653% (0.22   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  11.70 +/- 1.25   0.016% *  0.0219% (0.07   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  38  14.18 +/- 2.01   0.010% *  0.0219% (0.07   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+ 102  15.68 +/- 0.52   0.003% *  0.0434% (0.15   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  12.61 +/- 0.66   0.011% *  0.0100% (0.03   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+ 102  20.16 +/- 1.62   0.001% *  0.0760% (0.26   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  16.27 +/- 1.21   0.003% *  0.0219% (0.07   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD2   LYS+ 111  25.36 +/- 0.90   0.000% *  0.2908% (0.99   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  17.08 +/- 0.70   0.002% *  0.0254% (0.09   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+ 102  20.82 +/- 0.82   0.001% *  0.0767% (0.26   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  38  17.00 +/- 1.19   0.002% *  0.0192% (0.07   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  38  15.45 +/- 0.53   0.003% *  0.0107% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  38  13.70 +/- 0.38   0.007% *  0.0049% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+ 102  21.43 +/- 1.65   0.001% *  0.0665% (0.23   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  19.58 +/- 0.83   0.001% *  0.0449% (0.15   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD2   LYS+ 111  27.07 +/- 0.72   0.000% *  0.2908% (0.99   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  15.71 +/- 1.23   0.003% *  0.0100% (0.03   0.02   0.02) =   0.000%
          HB    ILE   19 - HD2   LYS+ 111  25.04 +/- 0.69   0.000% *  0.1428% (0.49   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+ 102  19.93 +/- 0.91   0.001% *  0.0373% (0.13   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+ 102  20.78 +/- 2.54   0.001% *  0.0315% (0.11   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD2   LYS+ 111  26.71 +/- 1.47   0.000% *  0.2545% (0.87   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+ 102  20.19 +/- 0.58   0.001% *  0.0373% (0.13   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  38  16.81 +/- 0.45   0.002% *  0.0107% (0.04   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+ 102  18.02 +/- 0.74   0.001% *  0.0171% (0.06   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  38  17.16 +/- 2.10   0.002% *  0.0091% (0.03   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+ 102  24.35 +/- 0.67   0.000% *  0.0760% (0.26   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD2   LYS+ 111  25.52 +/- 1.72   0.000% *  0.1206% (0.41   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+ 102  23.86 +/- 0.73   0.000% *  0.0688% (0.23   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+ 102  19.25 +/- 0.65   0.001% *  0.0171% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  38  20.72 +/- 0.83   0.001% *  0.0219% (0.07   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD2   LYS+ 111  28.71 +/- 1.02   0.000% *  0.1428% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  38  20.85 +/- 0.72   0.001% *  0.0198% (0.07   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD2   LYS+ 111  32.82 +/- 0.99   0.000% *  0.2631% (0.90   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  23.50 +/- 1.18   0.000% *  0.0403% (0.14   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD2   LYS+ 111  27.50 +/- 0.65   0.000% *  0.0653% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD2   LYS+ 111  28.97 +/- 0.94   0.000% *  0.0816% (0.28   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  38  21.88 +/- 0.39   0.000% *  0.0125% (0.04   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  22.63 +/- 0.94   0.000% *  0.0125% (0.04   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  38  27.49 +/- 0.56   0.000% *  0.0221% (0.08   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  38  22.52 +/- 0.52   0.000% *  0.0049% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 4 structures by 0.10 A, kept.
 
    Peak 1400 (1.33, 1.69, 29.56 ppm):
    52 chemical-shift based assignments, quality = 0.868, support = 6.14, residual support = 298.9:
    * O T HG2   LYS+ 111 - HD2   LYS+ 111   2.88 +/- 0.09  25.434% * 91.4966% (1.00   6.21 313.41) =  85.979%  kept
      O T HG2   LYS+  38 - QD    LYS+  38   2.39 +/- 0.12  74.284% *  5.1083% (0.06   5.75 209.68) =  14.020%  kept
        T HG2   LYS+  99 - QD    LYS+ 102   8.82 +/- 1.30   0.043% *  0.0691% (0.23   0.02   1.21) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  38   7.38 +/- 0.55   0.098% *  0.0199% (0.07   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.50 +/- 0.49   0.043% *  0.0377% (0.13   0.02   1.23) =   0.000%
          HG    LEU   98 - QD    LYS+ 102   8.98 +/- 0.83   0.038% *  0.0346% (0.12   0.02   1.07) =   0.000%
        T HB3   PRO   93 - HD2   LYS+ 111  10.18 +/- 0.66   0.014% *  0.0910% (0.31   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+ 102  12.50 +/- 1.59   0.005% *  0.0617% (0.21   0.02   0.02) =   0.000%
          QB    ALA   88 - HD2   LYS+ 111  14.05 +/- 1.07   0.002% *  0.1322% (0.45   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+ 102  11.80 +/- 1.11   0.007% *  0.0346% (0.12   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 111  15.63 +/- 1.04   0.001% *  0.2141% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD2   LYS+ 111  16.27 +/- 0.65   0.001% *  0.2463% (0.84   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.21 +/- 0.82   0.005% *  0.0328% (0.11   0.02   0.02) =   0.000%
          QG2   THR   77 - HD2   LYS+ 111  13.53 +/- 1.03   0.003% *  0.0455% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  38  12.28 +/- 0.47   0.004% *  0.0220% (0.07   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+ 102  15.29 +/- 0.75   0.001% *  0.0764% (0.26   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 111  16.46 +/- 0.97   0.001% *  0.1006% (0.34   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.13 +/- 0.66   0.003% *  0.0256% (0.09   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  38  12.40 +/- 1.18   0.006% *  0.0099% (0.03   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 111  19.85 +/- 1.35   0.000% *  0.1669% (0.57   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+ 102  16.81 +/- 1.11   0.001% *  0.0436% (0.15   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 111  20.64 +/- 1.43   0.000% *  0.1322% (0.45   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+ 102  15.98 +/- 0.76   0.001% *  0.0263% (0.09   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+ 102  18.01 +/- 0.70   0.000% *  0.0560% (0.19   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD2   LYS+ 111  23.75 +/- 1.59   0.000% *  0.2722% (0.92   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+ 102  18.63 +/- 0.65   0.000% *  0.0644% (0.22   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - HD2   LYS+ 111  25.29 +/- 0.92   0.000% *  0.2644% (0.90   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  18.55 +/- 0.87   0.000% *  0.0405% (0.14   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+ 102  20.39 +/- 0.84   0.000% *  0.0712% (0.24   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+ 102  21.03 +/- 0.71   0.000% *  0.0771% (0.26   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.92 +/- 0.83   0.001% *  0.0139% (0.05   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  20.56 +/- 1.23   0.000% *  0.0448% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  38  17.03 +/- 1.27   0.001% *  0.0126% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD2   LYS+ 111  28.50 +/- 1.02   0.000% *  0.2922% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  21.09 +/- 0.79   0.000% *  0.0452% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  21.57 +/- 1.30   0.000% *  0.0417% (0.14   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  19.08 +/- 0.91   0.000% *  0.0203% (0.07   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+ 102  17.51 +/- 0.69   0.001% *  0.0119% (0.04   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  16.22 +/- 0.74   0.001% *  0.0070% (0.02   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  18.52 +/- 0.77   0.000% *  0.0154% (0.05   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  38  19.36 +/- 0.38   0.000% *  0.0185% (0.06   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.98 +/- 0.99   0.000% *  0.0362% (0.12   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+ 102  20.73 +/- 0.57   0.000% *  0.0238% (0.08   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  38  18.04 +/- 0.81   0.000% *  0.0099% (0.03   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  20.56 +/- 0.87   0.000% *  0.0203% (0.07   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  38  19.72 +/- 0.60   0.000% *  0.0161% (0.05   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HD2   LYS+ 111  32.40 +/- 0.81   0.000% *  0.2361% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  38  21.81 +/- 0.69   0.000% *  0.0205% (0.07   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  38  19.11 +/- 0.52   0.000% *  0.0076% (0.03   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  38  20.60 +/- 0.50   0.000% *  0.0034% (0.01   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  38  28.18 +/- 0.41   0.000% *  0.0222% (0.08   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  38  24.95 +/- 0.40   0.000% *  0.0068% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.67 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 = 313.4:
    * O T HG3   LYS+ 111 - HD2   LYS+ 111   2.72 +/- 0.24  99.129% * 98.1211% (1.00   5.40 313.41) =  99.999%  kept
          HD2   LYS+ 112 - HD2   LYS+ 111   9.12 +/- 1.21   0.297% *  0.1364% (0.38   0.02  25.46) =   0.000%
        T HG3   LYS+  99 - QD    LYS+ 102   8.52 +/- 1.11   0.189% *  0.0324% (0.09   0.02   1.21) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  38   7.65 +/- 0.54   0.260% *  0.0093% (0.03   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD2   LYS+ 111  16.97 +/- 1.10   0.002% *  0.3603% (0.99   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+ 102  15.30 +/- 0.89   0.004% *  0.0942% (0.26   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  12.93 +/- 1.91   0.016% *  0.0209% (0.06   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  12.78 +/- 1.21   0.014% *  0.0229% (0.06   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  38  11.16 +/- 0.62   0.024% *  0.0123% (0.03   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.70 +/- 1.35   0.026% *  0.0110% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  13.28 +/- 1.05   0.010% *  0.0250% (0.07   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  38  12.38 +/- 0.78   0.013% *  0.0112% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+ 102  15.94 +/- 0.99   0.003% *  0.0426% (0.12   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD2   LYS+ 111  19.27 +/- 1.25   0.001% *  0.1364% (0.38   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  14.94 +/- 1.50   0.005% *  0.0209% (0.06   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+ 102  17.58 +/- 0.90   0.002% *  0.0391% (0.11   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+ 102  22.02 +/- 0.93   0.000% *  0.0950% (0.26   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  20.48 +/- 0.84   0.001% *  0.0557% (0.15   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  21.54 +/- 0.82   0.000% *  0.0552% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD2   LYS+ 111  25.99 +/- 0.85   0.000% *  0.1630% (0.45   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HD2   LYS+ 111  25.21 +/- 0.80   0.000% *  0.1240% (0.34   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+ 102  21.11 +/- 0.95   0.001% *  0.0357% (0.10   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.92 +/- 0.85   0.001% *  0.0190% (0.05   0.02   0.02) =   0.000%
          HG    LEU   71 - HD2   LYS+ 111  26.88 +/- 1.00   0.000% *  0.1495% (0.41   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  38  20.64 +/- 0.64   0.001% *  0.0271% (0.07   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD2   LYS+ 111  27.15 +/- 0.66   0.000% *  0.0719% (0.20   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  38  18.10 +/- 0.59   0.001% *  0.0054% (0.01   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+ 102  22.37 +/- 0.61   0.000% *  0.0188% (0.05   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+ 102  25.21 +/- 0.78   0.000% *  0.0357% (0.10   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  38  21.40 +/- 0.74   0.000% *  0.0103% (0.03   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  38  28.72 +/- 0.57   0.000% *  0.0274% (0.08   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  38  29.24 +/- 0.80   0.000% *  0.0103% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.70 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 = 313.4:
    * O T QE    LYS+ 111 - HD2   LYS+ 111   2.30 +/- 0.13  99.995% * 98.9094% (1.00   4.97 313.41) = 100.000%  kept
          HB2   PHE   45 - HD2   LYS+ 111  14.87 +/- 0.95   0.002% *  0.3762% (0.95   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+ 102  18.06 +/- 0.66   0.000% *  0.0983% (0.25   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  17.62 +/- 0.86   0.001% *  0.0576% (0.14   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  16.64 +/- 1.12   0.001% *  0.0345% (0.09   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  19.08 +/- 0.78   0.000% *  0.0609% (0.15   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD2   LYS+ 111  23.92 +/- 0.81   0.000% *  0.2251% (0.57   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+ 102  21.06 +/- 0.71   0.000% *  0.1040% (0.26   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+ 102  20.81 +/- 0.64   0.000% *  0.0589% (0.15   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  38  19.95 +/- 0.48   0.000% *  0.0169% (0.04   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  38  21.87 +/- 0.43   0.000% *  0.0283% (0.07   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  38  27.16 +/- 0.50   0.000% *  0.0299% (0.08   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 313.4:
    *   T HA    LYS+ 111 - HD3   LYS+ 111   3.91 +/- 0.57  99.809% * 99.1911% (1.00   6.21 313.41) = 100.000%  kept
          HA    PRO   52 - HD3   LYS+ 111  11.57 +/- 0.89   0.165% *  0.2068% (0.65   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  65  18.92 +/- 0.85   0.010% *  0.0791% (0.25   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  65  17.99 +/- 0.90   0.013% *  0.0512% (0.16   0.02   0.02) =   0.000%
        T HA    LYS+ 111 - QD    LYS+  33  26.94 +/- 1.05   0.001% *  0.2864% (0.90   0.02   0.02) =   0.000%
          HA    PRO   52 - QD    LYS+  33  26.28 +/- 0.84   0.001% *  0.1853% (0.58   0.02   0.02) =   0.000%
    Distance limit 4.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1406 (2.02, 1.64, 29.56 ppm):
    36 chemical-shift based assignments, quality = 1.0, support = 6.61, residual support = 313.3:
    * O T HB2   LYS+ 111 - HD3   LYS+ 111   2.98 +/- 0.16  82.112% * 95.6877% (1.00   6.62 313.41) =  99.970%  kept
          QB    GLU-  15 - QD    LYS+  33   6.40 +/- 1.78   3.471% *  0.2569% (0.89   0.02   0.02) =   0.011%
          QB    GLU- 114 - HD3   LYS+ 111   5.21 +/- 0.63   4.446% *  0.1638% (0.57   0.02   5.53) =   0.009%
        T HG3   GLN   30 - QD    LYS+  33   5.94 +/- 0.69   1.764% *  0.1262% (0.44   0.02   0.02) =   0.003%
          HB2   GLN   17 - QD    LYS+  65   6.46 +/- 1.43   2.998% *  0.0710% (0.25   0.02   0.02) =   0.003%
          HB2   GLN   30 - QD    LYS+  33   5.36 +/- 0.72   3.393% *  0.0577% (0.20   0.02   0.02) =   0.002%
          HB3   PRO   68 - QD    LYS+  65   8.23 +/- 2.19   0.722% *  0.0621% (0.21   0.02   0.02) =   0.001%
          HB    ILE   19 - QD    LYS+  33   7.93 +/- 1.05   0.310% *  0.1262% (0.44   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  65   8.28 +/- 2.38   0.552% *  0.0294% (0.10   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD    LYS+  33  11.94 +/- 1.45   0.025% *  0.2569% (0.89   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD    LYS+  65   9.62 +/- 0.92   0.090% *  0.0710% (0.25   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  33  12.79 +/- 1.47   0.018% *  0.2325% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD    LYS+  33  13.71 +/- 1.92   0.012% *  0.2249% (0.78   0.02   0.02) =   0.000%
          HB    ILE   19 - QD    LYS+  65  11.70 +/- 1.25   0.029% *  0.0349% (0.12   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD    LYS+  33  14.70 +/- 1.72   0.007% *  0.1066% (0.37   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  33  13.79 +/- 1.31   0.011% *  0.0721% (0.25   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   LYS+ 111  13.55 +/- 0.55   0.010% *  0.0644% (0.22   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  65  12.61 +/- 0.66   0.016% *  0.0159% (0.06   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QD    LYS+  65  16.27 +/- 1.21   0.003% *  0.0349% (0.12   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  65  17.08 +/- 0.70   0.002% *  0.0405% (0.14   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  65  19.58 +/- 0.83   0.001% *  0.0716% (0.25   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD    LYS+  33  22.21 +/- 1.17   0.001% *  0.1468% (0.51   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD    LYS+  65  15.71 +/- 1.23   0.004% *  0.0159% (0.06   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   LYS+ 111  26.10 +/- 1.22   0.000% *  0.2867% (0.99   0.02   0.02) =   0.000%
        T HB2   LYS+ 111 - QD    LYS+  33  26.74 +/- 1.23   0.000% *  0.2592% (0.90   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   LYS+ 111  27.59 +/- 0.71   0.000% *  0.2867% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   LYS+ 111  27.43 +/- 1.26   0.000% *  0.2509% (0.87   0.02   0.02) =   0.000%
          HB    ILE  119 - QD    LYS+  33  21.78 +/- 1.34   0.001% *  0.0577% (0.20   0.02   0.02) =   0.000%
          HB    ILE   19 - HD3   LYS+ 111  25.48 +/- 0.94   0.000% *  0.1408% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   68 - HD3   LYS+ 111  26.24 +/- 1.60   0.000% *  0.1189% (0.41   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD    LYS+  65  23.50 +/- 1.18   0.000% *  0.0642% (0.22   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HD3   LYS+ 111  28.96 +/- 1.19   0.000% *  0.1408% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   LYS+ 111  32.86 +/- 1.04   0.000% *  0.2594% (0.90   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD    LYS+  65  22.63 +/- 0.94   0.000% *  0.0199% (0.07   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   LYS+ 111  27.74 +/- 0.90   0.000% *  0.0644% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   LYS+ 111  28.88 +/- 0.87   0.000% *  0.0804% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.59 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 = 313.4:
    * O T HG2   LYS+ 111 - HD3   LYS+ 111   2.33 +/- 0.16  99.806% * 94.7792% (1.00   6.21 313.41) = 100.000%  kept
          HB2   LEU   31 - QD    LYS+  33   8.42 +/- 0.49   0.052% *  0.2713% (0.89   0.02   0.68) =   0.000%
          HG2   LYS+  38 - QD    LYS+  33   9.81 +/- 0.42   0.020% *  0.2192% (0.72   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  65   8.50 +/- 0.49   0.050% *  0.0632% (0.21   0.02   1.23) =   0.000%
          HB3   PRO   93 - HD3   LYS+ 111  10.53 +/- 0.86   0.029% *  0.0943% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    LYS+  33  12.94 +/- 0.97   0.004% *  0.2455% (0.80   0.02   0.02) =   0.000%
          QB    ALA   88 - HD3   LYS+ 111  13.47 +/- 0.88   0.004% *  0.1369% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD3   LYS+ 111  16.02 +/- 1.20   0.002% *  0.2218% (0.73   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  33  13.76 +/- 0.72   0.003% *  0.1227% (0.40   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  65  12.21 +/- 0.82   0.006% *  0.0549% (0.18   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QD    LYS+  33  15.26 +/- 0.92   0.002% *  0.1987% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    LYS+  33  15.92 +/- 1.36   0.001% *  0.2286% (0.75   0.02   0.02) =   0.000%
          QG2   THR   77 - HD3   LYS+ 111  13.49 +/- 0.96   0.006% *  0.0471% (0.15   0.02   0.02) =   0.000%
          HB2   LEU   63 - HD3   LYS+ 111  16.98 +/- 0.74   0.001% *  0.2551% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  33  16.32 +/- 0.53   0.001% *  0.2527% (0.83   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  65  13.13 +/- 0.66   0.004% *  0.0428% (0.14   0.02   0.02) =   0.000%
          QB    ALA   84 - HD3   LYS+ 111  16.22 +/- 0.87   0.001% *  0.1042% (0.34   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  33  15.92 +/- 0.41   0.001% *  0.0934% (0.31   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    LYS+  33  19.00 +/- 1.68   0.000% *  0.1550% (0.51   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  33  18.29 +/- 0.45   0.000% *  0.1227% (0.40   0.02   0.02) =   0.000%
          HG    LEU   98 - HD3   LYS+ 111  20.50 +/- 1.37   0.000% *  0.1369% (0.45   0.02   0.02) =   0.000%
          QB    ALA  124 - HD3   LYS+ 111  20.38 +/- 0.98   0.000% *  0.1729% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   80 - HD3   LYS+ 111  23.63 +/- 1.49   0.000% *  0.2820% (0.92   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  33  16.72 +/- 0.56   0.001% *  0.0422% (0.14   0.02   0.02) =   0.000%
        T HG2   LYS+  99 - QD    LYS+  65  18.55 +/- 0.87   0.000% *  0.0678% (0.22   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  65  15.92 +/- 0.83   0.001% *  0.0233% (0.08   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HD3   LYS+ 111  25.35 +/- 0.80   0.000% *  0.2739% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    LYS+  65  20.56 +/- 1.23   0.000% *  0.0749% (0.25   0.02   0.02) =   0.000%
          HB3   PRO   93 - QD    LYS+  33  21.29 +/- 1.15   0.000% *  0.0845% (0.28   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  65  21.09 +/- 0.79   0.000% *  0.0756% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   80 - QD    LYS+  65  21.57 +/- 1.30   0.000% *  0.0698% (0.23   0.02   0.02) =   0.000%
          HG    LEU   98 - QD    LYS+  65  19.08 +/- 0.91   0.000% *  0.0339% (0.11   0.02   0.02) =   0.000%
          HB2   LEU   31 - HD3   LYS+ 111  28.47 +/- 1.09   0.000% *  0.3027% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - QD    LYS+  33  27.32 +/- 0.93   0.000% *  0.2737% (0.90   0.02   0.02) =   0.000%
          QG2   THR   77 - QD    LYS+  65  16.22 +/- 0.74   0.001% *  0.0117% (0.04   0.02   0.02) =   0.000%
          QB    ALA   84 - QD    LYS+  65  18.52 +/- 0.77   0.000% *  0.0258% (0.08   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - QD    LYS+  65  21.98 +/- 0.99   0.000% *  0.0605% (0.20   0.02   0.02) =   0.000%
          QB    ALA   88 - QD    LYS+  65  20.56 +/- 0.87   0.000% *  0.0339% (0.11   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HD3   LYS+ 111  32.45 +/- 0.80   0.000% *  0.2446% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.60 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1408 (1.22, 1.64, 29.56 ppm):
    24 chemical-shift based assignments, quality = 1.0, support = 5.4, residual support = 313.4:
    * O T HG3   LYS+ 111 - HD3   LYS+ 111   2.93 +/- 0.04  88.929% * 97.1650% (1.00   5.40 313.41) =  99.983%  kept
          HG    LEU   71 - QD    LYS+  33   5.08 +/- 1.48   8.075% *  0.1326% (0.37   0.02   0.02) =   0.012%
          HB3   LEU   71 - QD    LYS+  33   6.03 +/- 1.43   2.492% *  0.1446% (0.40   0.02   0.02) =   0.004%
          HG13  ILE   19 - QD    LYS+  33   7.96 +/- 1.08   0.313% *  0.0638% (0.18   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HD3   LYS+ 111  10.35 +/- 1.10   0.082% *  0.1351% (0.38   0.02  25.46) =   0.000%
          HG3   LYS+  99 - QD    LYS+  33  13.61 +/- 1.23   0.011% *  0.1100% (0.31   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 111  16.57 +/- 0.95   0.003% *  0.3568% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  33  14.48 +/- 0.96   0.006% *  0.1211% (0.34   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QD    LYS+  65  12.93 +/- 1.91   0.019% *  0.0334% (0.09   0.02   0.02) =   0.000%
          HG    LEU   71 - QD    LYS+  65  12.78 +/- 1.21   0.016% *  0.0366% (0.10   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD    LYS+  65  11.70 +/- 1.35   0.029% *  0.0176% (0.05   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD    LYS+  65  13.28 +/- 1.05   0.012% *  0.0400% (0.11   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  33  18.98 +/- 0.46   0.001% *  0.3197% (0.89   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  65  14.94 +/- 1.50   0.006% *  0.0334% (0.09   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - HD3   LYS+ 111  19.69 +/- 1.41   0.001% *  0.1351% (0.38   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  65  20.48 +/- 0.84   0.001% *  0.0891% (0.25   0.02   0.02) =   0.000%
          HG12  ILE   89 - QD    LYS+  65  21.54 +/- 0.82   0.001% *  0.0883% (0.25   0.02   0.02) =   0.000%
        T HG3   LYS+ 111 - QD    LYS+  33  27.33 +/- 1.01   0.000% *  0.3226% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD    LYS+  65  18.92 +/- 0.85   0.001% *  0.0304% (0.08   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 111  26.32 +/- 0.92   0.000% *  0.1614% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HD3   LYS+ 111  25.26 +/- 0.81   0.000% *  0.1228% (0.34   0.02   0.02) =   0.000%
          HG    LEU   71 - HD3   LYS+ 111  27.25 +/- 1.09   0.000% *  0.1480% (0.41   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD    LYS+  33  26.59 +/- 1.37   0.000% *  0.1211% (0.34   0.02   0.02) =   0.000%
          HG13  ILE   19 - HD3   LYS+ 111  27.65 +/- 0.95   0.000% *  0.0712% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.01 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 = 313.4:
    * O T QE    LYS+ 111 - HD3   LYS+ 111   2.48 +/- 0.13  99.987% * 98.2676% (1.00   4.97 313.41) = 100.000%  kept
          HB2   CYS   21 - QD    LYS+  33  12.29 +/- 0.47   0.007% *  0.2004% (0.51   0.02   0.02) =   0.000%
          HB2   PHE   45 - HD3   LYS+ 111  14.85 +/- 0.98   0.002% *  0.3737% (0.95   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  33  18.17 +/- 0.62   0.001% *  0.3349% (0.85   0.02   0.02) =   0.000%
          HB2   PHE   45 - QD    LYS+  65  17.62 +/- 0.86   0.001% *  0.0925% (0.23   0.02   0.02) =   0.000%
          HB2   CYS   21 - QD    LYS+  65  16.64 +/- 1.12   0.001% *  0.0554% (0.14   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  65  19.08 +/- 0.78   0.001% *  0.0978% (0.25   0.02   0.02) =   0.000%
        T QE    LYS+ 111 - QD    LYS+  33  25.98 +/- 0.86   0.000% *  0.3540% (0.90   0.02   0.02) =   0.000%
          HB2   CYS   21 - HD3   LYS+ 111  24.12 +/- 0.98   0.000% *  0.2237% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 313.4:
    *   T HA    LYS+ 111 - QE    LYS+ 111   2.69 +/- 0.42  99.873% * 99.7705% (1.00   5.62 313.41) = 100.000%  kept
          HA    PRO   52 - QE    LYS+ 111   8.75 +/- 0.70   0.127% *  0.2295% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 1 structures by 0.02 A, kept.
 
    Peak 1413 (2.02, 3.06, 42.92 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 313.4:
    *   T HB2   LYS+ 111 - QE    LYS+ 111   3.40 +/- 0.66  94.576% * 97.9234% (1.00   6.06 313.41) =  99.989%  kept
          QB    GLU- 114 - QE    LYS+ 111   5.83 +/- 0.73   5.364% *  0.1831% (0.57   0.02   5.53) =   0.011%
          HB    ILE  119 - QE    LYS+ 111  12.27 +/- 0.87   0.052% *  0.0720% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    LYS+ 111  22.82 +/- 0.73   0.001% *  0.3206% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  15 - QE    LYS+ 111  24.57 +/- 0.46   0.001% *  0.3206% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   68 - QE    LYS+ 111  24.53 +/- 0.79   0.001% *  0.2805% (0.87   0.02   0.02) =   0.000%
          HB    ILE   19 - QE    LYS+ 111  22.66 +/- 0.47   0.001% *  0.1574% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   68 - QE    LYS+ 111  23.50 +/- 1.10   0.001% *  0.1330% (0.41   0.02   0.02) =   0.000%
        T HG3   GLN   30 - QE    LYS+ 111  25.95 +/- 0.81   0.001% *  0.1574% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    LYS+ 111  29.34 +/- 0.59   0.000% *  0.2901% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   30 - QE    LYS+ 111  24.97 +/- 0.59   0.001% *  0.0720% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QE    LYS+ 111  26.90 +/- 0.73   0.001% *  0.0899% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 1 structures by 0.08 A, kept.
 
    Peak 1414 (1.33, 3.06, 42.92 ppm):
    13 chemical-shift based assignments, quality = 1.0, support = 5.62, residual support = 313.4:
    * O T HG2   LYS+ 111 - QE    LYS+ 111   2.94 +/- 0.30  99.782% * 97.4221% (1.00   5.62 313.41) = 100.000%  kept
          HB3   PRO   93 - QE    LYS+ 111   8.96 +/- 0.50   0.149% *  0.1069% (0.31   0.02   0.02) =   0.000%
          QB    ALA   88 - QE    LYS+ 111  12.86 +/- 0.63   0.016% *  0.1553% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  44 - QE    LYS+ 111  14.25 +/- 0.67   0.009% *  0.2516% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   63 - QE    LYS+ 111  15.10 +/- 0.55   0.007% *  0.2894% (0.84   0.02   0.02) =   0.000%
          QG2   THR   77 - QE    LYS+ 111  11.84 +/- 0.56   0.026% *  0.0535% (0.15   0.02   0.02) =   0.000%
          QB    ALA   84 - QE    LYS+ 111  14.63 +/- 0.55   0.007% *  0.1182% (0.34   0.02   0.02) =   0.000%
          QB    ALA  124 - QE    LYS+ 111  18.61 +/- 0.98   0.002% *  0.1962% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   80 - QE    LYS+ 111  21.16 +/- 1.11   0.001% *  0.3198% (0.92   0.02   0.02) =   0.000%
          HG    LEU   98 - QE    LYS+ 111  19.27 +/- 1.02   0.001% *  0.1553% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QE    LYS+ 111  23.62 +/- 0.65   0.000% *  0.3107% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   31 - QE    LYS+ 111  25.94 +/- 0.68   0.000% *  0.3434% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QE    LYS+ 111  29.84 +/- 0.65   0.000% *  0.2774% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1415 (1.22, 3.06, 42.92 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.44, residual support = 313.4:
    * O T HG3   LYS+ 111 - QE    LYS+ 111   2.20 +/- 0.36  99.832% * 98.8592% (1.00   5.44 313.41) = 100.000%  kept
          HD2   LYS+ 112 - QE    LYS+ 111   8.07 +/- 1.14   0.165% *  0.1363% (0.38   0.02  25.46) =   0.000%
          HG12  ILE   89 - QE    LYS+ 111  15.40 +/- 0.58   0.002% *  0.3601% (0.99   0.02   0.02) =   0.000%
        T HG2   LYS+  74 - QE    LYS+ 111  17.23 +/- 0.87   0.001% *  0.1363% (0.38   0.02   0.02) =   0.000%
          HB3   LEU   71 - QE    LYS+ 111  23.85 +/- 0.69   0.000% *  0.1629% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QE    LYS+ 111  23.59 +/- 0.86   0.000% *  0.1239% (0.34   0.02   0.02) =   0.000%
          HG    LEU   71 - QE    LYS+ 111  24.54 +/- 0.68   0.000% *  0.1494% (0.41   0.02   0.02) =   0.000%
          HG13  ILE   19 - QE    LYS+ 111  24.46 +/- 0.48   0.000% *  0.0719% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 313.4:
    * O T HD2   LYS+ 111 - QE    LYS+ 111   2.30 +/- 0.13  99.884% * 97.4907% (1.00   4.97 313.41) = 100.000%  kept
          HB3   MET   92 - QE    LYS+ 111   8.34 +/- 1.33   0.072% *  0.3842% (0.98   0.02   0.02) =   0.000%
          HG3   PRO   93 - QE    LYS+ 111   8.60 +/- 0.57   0.038% *  0.3400% (0.87   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QE    LYS+ 111  12.80 +/- 0.86   0.004% *  0.2846% (0.73   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    LYS+ 111  17.33 +/- 0.83   0.001% *  0.3515% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    LYS+ 111  20.12 +/- 0.49   0.000% *  0.3515% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    LYS+ 111  19.93 +/- 0.72   0.000% *  0.2692% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QE    LYS+ 111  21.06 +/- 0.71   0.000% *  0.2692% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  19.08 +/- 0.78   0.000% *  0.0605% (0.15   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  21.54 +/- 0.62   0.000% *  0.0776% (0.20   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QE    LYS+ 111  27.16 +/- 0.50   0.000% *  0.1210% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.68 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 = 313.4:
    * O T HD3   LYS+ 111 - QE    LYS+ 111   2.48 +/- 0.13  99.981% * 98.2804% (1.00   4.97 313.41) = 100.000%  kept
          QB    ALA   57 - QE    LYS+ 111  11.04 +/- 0.32   0.014% *  0.3942% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QE    LYS+ 111  16.50 +/- 0.66   0.001% *  0.3300% (0.84   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - QE    LYS+ 111  14.79 +/- 1.15   0.002% *  0.1099% (0.28   0.02   0.02) =   0.000%
          HB3   LEU  123 - QE    LYS+ 111  18.18 +/- 1.17   0.001% *  0.3544% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  65 - QE    LYS+ 111  19.08 +/- 0.78   0.001% *  0.0985% (0.25   0.02   0.02) =   0.000%
        T QD    LYS+  33 - QE    LYS+ 111  25.98 +/- 0.86   0.000% *  0.3544% (0.90   0.02   0.02) =   0.000%
          HB    VAL   83 - QE    LYS+ 111  21.54 +/- 0.62   0.000% *  0.0782% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 234.0:
    * O T HB2   LYS+ 112 - HA    LYS+ 112   2.96 +/- 0.03  99.776% * 97.3317% (1.00   6.00 234.00) = 100.000%  kept
          HB3   PRO   93 - HA    LYS+ 112   8.64 +/- 0.45   0.173% *  0.1579% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    LYS+ 112  14.58 +/- 0.37   0.007% *  0.3180% (0.98   0.02   0.02) =   0.000%
        T HB    VAL   42 - HA    LYS+ 112  15.27 +/- 0.28   0.005% *  0.3069% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    LYS+ 112  16.11 +/- 0.90   0.004% *  0.3069% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    LYS+ 112  12.15 +/- 0.61   0.022% *  0.0501% (0.15   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    LYS+ 112  16.71 +/- 0.42   0.003% *  0.1455% (0.45   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    LYS+ 112  16.05 +/- 0.78   0.004% *  0.0809% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 112  20.35 +/- 0.29   0.001% *  0.3180% (0.98   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+ 112  18.18 +/- 0.39   0.002% *  0.0902% (0.28   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    LYS+ 112  19.17 +/- 0.89   0.001% *  0.1107% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    LYS+ 112  24.61 +/- 1.02   0.000% *  0.3216% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HA    LYS+ 112  27.47 +/- 0.56   0.000% *  0.2910% (0.90   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 112  27.18 +/- 1.79   0.000% *  0.1707% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 234.0:
    * O T HG2   LYS+ 112 - HA    LYS+ 112   2.33 +/- 0.45  99.975% * 99.4886% (1.00   6.08 234.00) = 100.000%  kept
          QG1   VAL   42 - HA    LYS+ 112  10.94 +/- 0.22   0.019% *  0.2736% (0.84   0.02   0.02) =   0.000%
          QB    ALA   47 - HA    LYS+ 112  13.18 +/- 0.38   0.007% *  0.2378% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1422 (1.05, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 5.76, residual support = 234.0:
    * O T HG3   LYS+ 112 - HA    LYS+ 112   3.36 +/- 0.33  99.635% * 99.3122% (1.00   5.76 234.00) =  99.999%  kept
          HG    LEU   63 - HA    LYS+ 112  10.07 +/- 1.00   0.189% *  0.2634% (0.76   0.02   0.02) =   0.001%
          QG2   VAL  108 - HA    LYS+ 112   9.96 +/- 0.36   0.167% *  0.1294% (0.38   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    LYS+ 112  16.48 +/- 0.38   0.008% *  0.0860% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   24 - HA    LYS+ 112  23.17 +/- 0.38   0.001% *  0.2091% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 1 structures by 0.03 A, kept.
 
    Peak 1423 (1.20, 3.46, 61.33 ppm):
    6 chemical-shift based assignments, quality = 0.794, support = 6.16, residual support = 234.0:
      O T HB3   LYS+ 112 - HA    LYS+ 112   2.67 +/- 0.14  88.339% * 46.9556% (0.76   6.27 234.00) =  87.538%  kept
    *   T HD2   LYS+ 112 - HA    LYS+ 112   4.00 +/- 0.47  11.235% * 52.5593% (1.00   5.37 234.00) =  12.461%  kept
          HG3   LYS+ 111 - HA    LYS+ 112   6.62 +/- 0.17   0.395% *  0.0735% (0.38   0.02  25.46) =   0.001%
          QG2   THR   94 - HA    LYS+ 112  10.23 +/- 0.35   0.030% *  0.1569% (0.80   0.02   0.02) =   0.000%
          HG12  ILE   89 - HA    LYS+ 112  17.52 +/- 0.45   0.001% *  0.0605% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   71 - HA    LYS+ 112  22.00 +/- 0.59   0.000% *  0.1942% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 234.0:
    * O T HA    LYS+ 112 - HB2   LYS+ 112   2.96 +/- 0.03  99.745% * 98.7855% (1.00   6.00 234.00) =  99.999%  kept
          HB2   HIS  122 - HB    VAL   42   8.41 +/- 0.64   0.222% *  0.2490% (0.76   0.02   0.02) =   0.001%
          HB    THR   46 - HB    VAL   42  12.29 +/- 0.55   0.021% *  0.1796% (0.55   0.02   0.02) =   0.000%
        T HA    LYS+ 112 - HB    VAL   42  15.27 +/- 0.28   0.005% *  0.2776% (0.84   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LYS+ 112  15.51 +/- 0.61   0.005% *  0.2130% (0.65   0.02   0.02) =   0.000%
          HB2   HIS  122 - HB2   LYS+ 112  17.34 +/- 0.37   0.003% *  0.2953% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.8, support = 5.01, residual support = 135.2:
      O T QG1   VAL   42 - HB    VAL   42   2.12 +/- 0.01  82.619% * 30.2354% (0.70   4.19  87.63) =  67.522%  kept
    * O T HG2   LYS+ 112 - HB2   LYS+ 112   2.77 +/- 0.13  17.377% * 69.1456% (1.00   6.74 234.00) =  32.478%  kept
        T QG1   VAL   42 - HB2   LYS+ 112  13.33 +/- 0.24   0.001% *  0.1714% (0.84   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB2   LYS+ 112  13.81 +/- 0.47   0.001% *  0.1490% (0.73   0.02   0.02) =   0.000%
        T QB    ALA   47 - HB    VAL   42  15.00 +/- 0.36   0.001% *  0.1256% (0.61   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB    VAL   42  16.12 +/- 0.71   0.000% *  0.1730% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 234.0:
    * O T HG3   LYS+ 112 - HB2   LYS+ 112   2.34 +/- 0.16  99.733% * 98.4552% (1.00   5.76 234.00) =  99.999%  kept
          HG    LEU   63 - HB    VAL   42   7.20 +/- 0.90   0.195% *  0.2202% (0.64   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB    VAL   42   8.62 +/- 0.59   0.049% *  0.0718% (0.21   0.02   0.02) =   0.000%
          HG    LEU   63 - HB2   LYS+ 112  12.76 +/- 1.08   0.005% *  0.2612% (0.76   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB2   LYS+ 112  11.41 +/- 0.56   0.009% *  0.1283% (0.38   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB    VAL   42  12.24 +/- 0.78   0.006% *  0.1081% (0.32   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    VAL   42  14.44 +/- 0.55   0.002% *  0.1747% (0.51   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB    VAL   42  17.41 +/- 0.51   0.001% *  0.2881% (0.84   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB2   LYS+ 112  19.31 +/- 0.35   0.000% *  0.0852% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   LYS+ 112  25.08 +/- 0.39   0.000% *  0.2073% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 0.771, support = 6.94, residual support = 234.0:
      O T HB3   LYS+ 112 - HB2   LYS+ 112   1.75 +/- 0.00  97.542% * 46.2108% (0.76   6.97 234.00) =  97.280%  kept
    * O T HD2   LYS+ 112 - HB2   LYS+ 112   3.45 +/- 0.34   2.389% * 52.7388% (1.00   6.08 234.00) =   2.720%  kept
          HB3   LEU   71 - HB    VAL   42   6.95 +/- 0.54   0.029% *  0.1451% (0.84   0.02   2.46) =   0.000%
          HG3   LYS+ 111 - HB2   LYS+ 112   6.63 +/- 0.31   0.034% *  0.0652% (0.38   0.02  25.46) =   0.000%
          QG2   THR   94 - HB    VAL   42   9.72 +/- 0.14   0.003% *  0.1172% (0.68   0.02   0.02) =   0.000%
          QG2   THR   94 - HB2   LYS+ 112  12.01 +/- 0.37   0.001% *  0.1390% (0.80   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB    VAL   42  13.44 +/- 0.32   0.000% *  0.0452% (0.26   0.02   0.02) =   0.000%
        T HD2   LYS+ 112 - HB    VAL   42  17.38 +/- 0.89   0.000% *  0.1464% (0.84   0.02   0.02) =   0.000%
        T HB3   LYS+ 112 - HB    VAL   42  17.51 +/- 0.48   0.000% *  0.1119% (0.64   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB    VAL   42  18.08 +/- 0.34   0.000% *  0.0549% (0.32   0.02   0.02) =   0.000%
          HG12  ILE   89 - HB2   LYS+ 112  19.57 +/- 0.51   0.000% *  0.0536% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   LYS+ 112  24.82 +/- 0.61   0.000% *  0.1721% (0.99   0.02   0.02) =   0.000%
    Distance limit 2.43 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 = 234.0:
    * O T HA    LYS+ 112 - HG2   LYS+ 112   2.33 +/- 0.45  99.995% * 99.4944% (1.00   6.08 234.00) = 100.000%  kept
          HB    THR   46 - HG2   LYS+ 112  13.47 +/- 0.84   0.004% *  0.2119% (0.65   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG2   LYS+ 112  15.91 +/- 0.84   0.002% *  0.2937% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1430 (1.37, 0.36, 25.56 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.74, residual support = 234.0:
    * O T HB2   LYS+ 112 - HG2   LYS+ 112   2.77 +/- 0.13  99.846% * 97.6176% (1.00   6.74 234.00) = 100.000%  kept
          HB3   PRO   93 - HG2   LYS+ 112   8.67 +/- 0.89   0.126% *  0.1410% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG2   LYS+ 112  15.70 +/- 1.04   0.003% *  0.2740% (0.95   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG2   LYS+ 112  16.12 +/- 0.71   0.003% *  0.2740% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG2   LYS+ 112  16.35 +/- 0.71   0.003% *  0.2839% (0.98   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG2   LYS+ 112  12.50 +/- 0.68   0.013% *  0.0447% (0.15   0.02   0.02) =   0.000%
          QB    ALA   84 - HG2   LYS+ 112  17.03 +/- 0.67   0.002% *  0.1299% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG2   LYS+ 112  20.68 +/- 0.73   0.001% *  0.2839% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HG2   LYS+ 112  17.04 +/- 0.78   0.002% *  0.0722% (0.25   0.02   0.02) =   0.000%
          QB    LEU   98 - HG2   LYS+ 112  19.42 +/- 0.61   0.001% *  0.0805% (0.28   0.02   0.02) =   0.000%
          HG    LEU   98 - HG2   LYS+ 112  20.49 +/- 1.17   0.001% *  0.0988% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG2   LYS+ 112  26.33 +/- 0.95   0.000% *  0.2871% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG2   LYS+ 112  28.13 +/- 0.80   0.000% *  0.2598% (0.90   0.02   0.02) =   0.000%
          QB    ALA   12 - HG2   LYS+ 112  27.05 +/- 2.15   0.000% *  0.1524% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 234.0:
    * O T HG3   LYS+ 112 - HG2   LYS+ 112   1.75 +/- 0.00  99.996% * 99.4317% (1.00   6.98 234.00) = 100.000%  kept
          HG    LEU   63 - HG2   LYS+ 112  10.85 +/- 1.15   0.002% *  0.2177% (0.76   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG2   LYS+ 112  11.14 +/- 0.53   0.002% *  0.1069% (0.38   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG2   LYS+ 112  18.18 +/- 0.79   0.000% *  0.0710% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   24 - HG2   LYS+ 112  23.56 +/- 0.76   0.000% *  0.1728% (0.61   0.02   0.02) =   0.000%
    Distance limit 2.56 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 = 0.882, support = 6.57, residual support = 234.0:
    * O T HD2   LYS+ 112 - HG2   LYS+ 112   3.01 +/- 0.08  44.461% * 55.2363% (1.00   6.41 234.00) =  50.045%  kept
      O T HB3   LYS+ 112 - HG2   LYS+ 112   2.90 +/- 0.18  55.292% * 44.3367% (0.76   6.73 234.00) =  49.955%  kept
          HG3   LYS+ 111 - HG2   LYS+ 112   7.39 +/- 0.50   0.228% *  0.0647% (0.38   0.02  25.46) =   0.000%
          QG2   THR   94 - HG2   LYS+ 112  11.17 +/- 0.65   0.019% *  0.1381% (0.80   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG2   LYS+ 112  18.39 +/- 0.72   0.001% *  0.0532% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG2   LYS+ 112  22.71 +/- 0.87   0.000% *  0.1709% (0.99   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 234.0:
    * O T HA    LYS+ 112 - HG3   LYS+ 112   3.36 +/- 0.33  99.975% * 99.4670% (1.00   5.76 234.00) = 100.000%  kept
          HB    THR   46 - HG3   LYS+ 112  14.23 +/- 0.75   0.019% *  0.2233% (0.65   0.02   0.02) =   0.000%
          HB2   HIS  122 - HG3   LYS+ 112  17.12 +/- 0.62   0.006% *  0.3096% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 234.0:
    * O T HB2   LYS+ 112 - HG3   LYS+ 112   2.34 +/- 0.16  99.958% * 97.2246% (1.00   5.76 234.00) = 100.000%  kept
          HB3   PRO   93 - HG3   LYS+ 112   9.54 +/- 0.83   0.035% *  0.1643% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HG3   LYS+ 112  16.41 +/- 1.06   0.001% *  0.3192% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HG3   LYS+ 112  17.61 +/- 0.57   0.001% *  0.3308% (0.98   0.02   0.02) =   0.000%
        T HB    VAL   42 - HG3   LYS+ 112  17.41 +/- 0.51   0.001% *  0.3192% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+ 112  13.67 +/- 0.76   0.003% *  0.0521% (0.15   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+ 112  17.79 +/- 0.64   0.001% *  0.1513% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   73 - HG3   LYS+ 112  21.80 +/- 0.60   0.000% *  0.3308% (0.98   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+ 112  17.77 +/- 0.86   0.001% *  0.0841% (0.25   0.02   0.02) =   0.000%
          QB    LEU   98 - HG3   LYS+ 112  20.62 +/- 0.48   0.000% *  0.0938% (0.28   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+ 112  21.82 +/- 1.05   0.000% *  0.1151% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HG3   LYS+ 112  27.66 +/- 1.20   0.000% *  0.3345% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HG3   LYS+ 112  29.36 +/- 0.77   0.000% *  0.3026% (0.90   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   LYS+ 112  27.77 +/- 2.11   0.000% *  0.1775% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 234.0:
    * O T HG2   LYS+ 112 - HG3   LYS+ 112   1.75 +/- 0.00  99.999% * 99.5547% (1.00   6.98 234.00) = 100.000%  kept
          QG1   VAL   42 - HG3   LYS+ 112  12.80 +/- 0.43   0.001% *  0.2382% (0.84   0.02   0.02) =   0.000%
          QB    ALA   47 - HG3   LYS+ 112  13.03 +/- 0.74   0.001% *  0.2071% (0.73   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1437 (1.05, 1.05, 25.56 ppm):
    1 diagonal assignment:
    *     HG3   LYS+ 112 - HG3   LYS+ 112  (1.00)  kept
 
    Peak 1438 (1.20, 1.05, 25.56 ppm):
    6 chemical-shift based assignments, quality = 0.932, support = 5.82, residual support = 234.0:
    * O T HD2   LYS+ 112 - HG3   LYS+ 112   2.43 +/- 0.12  69.890% * 51.0850% (1.00   5.44 234.00) =  71.055%  kept
      O   HB3   LYS+ 112 - HG3   LYS+ 112   2.80 +/- 0.10  30.019% * 48.4500% (0.76   6.75 234.00) =  28.945%  kept
          HG3   LYS+ 111 - HG3   LYS+ 112   7.72 +/- 0.50   0.085% *  0.0705% (0.38   0.02  25.46) =   0.000%
          QG2   THR   94 - HG3   LYS+ 112  12.10 +/- 0.51   0.005% *  0.1504% (0.80   0.02   0.02) =   0.000%
          HG12  ILE   89 - HG3   LYS+ 112  19.45 +/- 0.69   0.000% *  0.0580% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG3   LYS+ 112  23.95 +/- 0.82   0.000% *  0.1861% (0.99   0.02   0.02) =   0.000%
    Distance limit 2.59 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 = 234.0:
    *   T HA    LYS+ 112 - HD2   LYS+ 112   4.00 +/- 0.47  99.939% * 99.4279% (1.00   5.37 234.00) = 100.000%  kept
          HB    THR   46 - HD2   LYS+ 112  15.34 +/- 0.67   0.037% *  0.2397% (0.65   0.02   0.02) =   0.000%
          HB2   HIS  122 - HD2   LYS+ 112  16.29 +/- 1.06   0.024% *  0.3324% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.98 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 = 234.0:
    * O T HB2   LYS+ 112 - HD2   LYS+ 112   3.45 +/- 0.34  99.810% * 97.3640% (1.00   6.08 234.00) = 100.000%  kept
          HB3   PRO   93 - HD2   LYS+ 112  11.03 +/- 0.61   0.114% *  0.1560% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HD2   LYS+ 112  15.56 +/- 1.41   0.017% *  0.3032% (0.95   0.02   0.02) =   0.000%
        T HB    VAL   42 - HD2   LYS+ 112  17.38 +/- 0.89   0.008% *  0.3032% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HD2   LYS+ 112  18.17 +/- 0.69   0.005% *  0.3142% (0.98   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HD2   LYS+ 112  14.25 +/- 0.73   0.025% *  0.0495% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HD2   LYS+ 112  16.51 +/- 1.16   0.010% *  0.0799% (0.25   0.02   0.02) =   0.000%
          QB    ALA   84 - HD2   LYS+ 112  19.00 +/- 0.55   0.004% *  0.1437% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   73 - HD2   LYS+ 112  22.25 +/- 0.69   0.002% *  0.3142% (0.98   0.02   0.02) =   0.000%
          QB    LEU   98 - HD2   LYS+ 112  20.92 +/- 0.62   0.002% *  0.0891% (0.28   0.02   0.02) =   0.000%
          HG    LEU   98 - HD2   LYS+ 112  22.32 +/- 1.08   0.002% *  0.1093% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HD2   LYS+ 112  27.92 +/- 1.28   0.000% *  0.3177% (0.99   0.02   0.02) =   0.000%
          QB    ALA   12 - HD2   LYS+ 112  27.46 +/- 2.22   0.001% *  0.1686% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HD2   LYS+ 112  29.36 +/- 1.00   0.000% *  0.2874% (0.90   0.02   0.02) =   0.000%
    Distance limit 4.77 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 = 234.0:
    * O T HG2   LYS+ 112 - HD2   LYS+ 112   3.01 +/- 0.08  99.974% * 99.5149% (1.00   6.41 234.00) = 100.000%  kept
          QG1   VAL   42 - HD2   LYS+ 112  12.90 +/- 0.70   0.018% *  0.2595% (0.84   0.02   0.02) =   0.000%
          QB    ALA   47 - HD2   LYS+ 112  14.46 +/- 0.61   0.008% *  0.2256% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 234.0:
    * O T HG3   LYS+ 112 - HD2   LYS+ 112   2.43 +/- 0.12  99.979% * 99.2718% (1.00   5.44 234.00) = 100.000%  kept
          HG    LEU   63 - HD2   LYS+ 112  11.37 +/- 1.55   0.015% *  0.2789% (0.76   0.02   0.02) =   0.000%
          QG2   VAL  108 - HD2   LYS+ 112  13.03 +/- 0.76   0.006% *  0.1370% (0.38   0.02   0.02) =   0.000%
          HB2   LEU  104 - HD2   LYS+ 112  19.45 +/- 0.71   0.000% *  0.0910% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   24 - HD2   LYS+ 112  25.28 +/- 0.53   0.000% *  0.2214% (0.61   0.02   0.02) =   0.000%
    Distance limit 2.52 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1443 (1.20, 1.20, 29.98 ppm):
    1 diagonal assignment:
    *     HD2   LYS+ 112 - HD2   LYS+ 112  (1.00)  kept
 
    Peak 1444 (4.37, 4.37, 57.38 ppm):
    1 diagonal assignment:
    *     HA    ASP- 113 - HA    ASP- 113  (1.00)  kept
 
    Peak 1445 (2.68, 4.37, 57.38 ppm):
    1 chemical-shift based assignment, quality = 1.0, support = 2.0, residual support = 13.6:
    * O T QB    ASP- 113 - HA    ASP- 113   2.45 +/- 0.10 100.000% *100.0000% (1.00   2.00  13.57) = 100.000%  kept
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1446 (4.37, 2.68, 39.79 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 2.0, residual support = 13.6:
    * O T HA    ASP- 113 - QB    ASP- 113   2.45 +/- 0.10  99.956% * 96.8416% (1.00   2.00  13.57) = 100.000%  kept
          HA    ILE   56 - QB    ASP- 113   9.65 +/- 0.26   0.029% *  0.6265% (0.65   0.02   0.02) =   0.000%
        T HA    PHE   59 - QB    ASP- 113  10.94 +/- 0.22   0.013% *  0.5483% (0.57   0.02   0.02) =   0.000%
          HA    LEU  123 - QB    ASP- 113  15.64 +/- 0.40   0.002% *  0.5095% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  99 - QB    ASP- 113  20.97 +/- 0.38   0.000% *  0.8089% (0.84   0.02   0.02) =   0.000%
          HA    ASN   35 - QB    ASP- 113  26.58 +/- 0.43   0.000% *  0.6652% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 0.913, support = 3.19, residual support = 50.6:
    * O T QB    GLU- 114 - HA    GLU- 114   2.26 +/- 0.12  72.900% * 79.4265% (0.97   3.00  39.38) =  94.057%  kept
      O T HB2   LEU  115 - HA    LEU  115   2.75 +/- 0.09  23.466% * 15.5478% (0.09   6.22 228.53) =   5.927%  kept
        T QB    GLU- 114 - HA    LEU  115   4.15 +/- 0.23   2.174% *  0.2437% (0.44   0.02  17.64) =   0.009%
          HB2   LYS+ 111 - HA    GLU- 114   4.86 +/- 0.43   0.983% *  0.3984% (0.73   0.02   5.53) =   0.006%
        T HB2   LEU  115 - HA    GLU- 114   5.58 +/- 0.04   0.322% *  0.1086% (0.20   0.02  17.64) =   0.001%
          HB2   LYS+ 111 - HA    LEU  115   6.44 +/- 0.23   0.143% *  0.1834% (0.33   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    LEU  115  10.71 +/- 0.64   0.007% *  0.0562% (0.10   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  14.07 +/- 0.55   0.001% *  0.1222% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  17.13 +/- 1.60   0.001% *  0.2190% (0.40   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  20.90 +/- 1.92   0.000% *  0.4759% (0.87   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  18.47 +/- 0.30   0.000% *  0.2331% (0.42   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LEU  115  18.67 +/- 0.64   0.000% *  0.2022% (0.37   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.00 +/- 0.38   0.000% *  0.5065% (0.92   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LEU  115  20.10 +/- 0.61   0.000% *  0.2022% (0.37   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    LEU  115  18.38 +/- 1.23   0.000% *  0.1038% (0.19   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    GLU- 114  23.45 +/- 0.66   0.000% *  0.4393% (0.80   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    GLU- 114  24.12 +/- 0.67   0.000% *  0.4393% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   68 - HA    GLU- 114  22.29 +/- 1.60   0.000% *  0.2256% (0.41   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    GLU- 114  32.16 +/- 0.48   0.000% *  0.5190% (0.95   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LEU  115  28.42 +/- 0.34   0.000% *  0.2389% (0.44   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    LEU  115  22.44 +/- 0.65   0.000% *  0.0342% (0.06   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    GLU- 114  26.66 +/- 0.69   0.000% *  0.0743% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.66 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 = 0.883, support = 3.66, residual support = 34.7:
    * O T QG    GLU- 114 - HA    GLU- 114   3.09 +/- 0.41  67.761% * 62.1088% (1.00   3.48  39.38) =  78.620%  kept
        T QG    GLU- 114 - HA    LEU  115   4.06 +/- 1.00  32.200% * 35.5436% (0.46   4.32  17.64) =  21.380%  kept
          HG2   MET   92 - HA    GLU- 114  14.42 +/- 1.80   0.008% *  0.3572% (1.00   0.02   0.02) =   0.000%
          HG2   MET   92 - HA    LEU  115  13.16 +/- 1.48   0.015% *  0.1644% (0.46   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    LEU  115  13.73 +/- 0.87   0.010% *  0.1132% (0.32   0.02   0.02) =   0.000%
          HG2   PRO   52 - HA    GLU- 114  15.67 +/- 0.80   0.004% *  0.2459% (0.69   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    LEU  115  21.74 +/- 0.85   0.001% *  0.1615% (0.45   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    GLU- 114  25.12 +/- 0.94   0.000% *  0.3509% (0.98   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    GLU- 114  31.69 +/- 0.94   0.000% *  0.3572% (1.00   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    LEU  115  28.27 +/- 0.99   0.000% *  0.1644% (0.46   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    GLU- 114  33.95 +/- 0.47   0.000% *  0.1743% (0.49   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    LEU  115  30.28 +/- 0.33   0.000% *  0.0802% (0.22   0.02   0.02) =   0.000%
          QB    MET   11 - HA    GLU- 114  33.52 +/- 1.73   0.000% *  0.1221% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - HA    LEU  115  29.49 +/- 1.69   0.000% *  0.0562% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.955, support = 3.06, residual support = 38.6:
    * O T HA    GLU- 114 - QB    GLU- 114   2.26 +/- 0.12  96.878% * 47.0719% (0.97   3.00  39.38) =  96.587%  kept
        T HA    LEU  115 - QB    GLU- 114   4.15 +/- 0.23   3.112% * 51.7810% (0.66   4.80  17.64) =   3.413%  kept
          HA    CYS   53 - QB    GLU- 114  11.48 +/- 0.86   0.008% *  0.0621% (0.19   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    GLU- 114  18.57 +/- 0.66   0.000% *  0.3029% (0.93   0.02   0.02) =   0.000%
        T HA    ARG+  54 - QB    GLU- 114  14.62 +/- 0.76   0.002% *  0.0550% (0.17   0.02   0.02) =   0.000%
          HA    ALA   34 - QB    GLU- 114  21.55 +/- 0.54   0.000% *  0.2621% (0.81   0.02   0.02) =   0.000%
          HA    ASN   28 - QB    GLU- 114  22.40 +/- 0.71   0.000% *  0.2030% (0.62   0.02   0.02) =   0.000%
          HA    THR   26 - QB    GLU- 114  25.08 +/- 0.62   0.000% *  0.2621% (0.81   0.02   0.02) =   0.000%
    Distance limit 2.91 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 = 3.53, residual support = 39.4:
    * O T QG    GLU- 114 - QB    GLU- 114   2.11 +/- 0.03  99.990% * 97.5133% (0.96   3.53  39.38) = 100.000%  kept
          HG2   MET   92 - QB    GLU- 114  11.15 +/- 1.73   0.007% *  0.5525% (0.96   0.02   0.02) =   0.000%
          HG2   PRO   52 - QB    GLU- 114  12.48 +/- 1.01   0.003% *  0.3804% (0.66   0.02   0.02) =   0.000%
          HB2   GLU-  79 - QB    GLU- 114  20.67 +/- 1.05   0.000% *  0.5428% (0.95   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    GLU- 114  27.49 +/- 0.78   0.000% *  0.5525% (0.96   0.02   0.02) =   0.000%
        T HG3   GLU-  25 - QB    GLU- 114  28.72 +/- 0.64   0.000% *  0.2696% (0.47   0.02   0.02) =   0.000%
          QB    MET   11 - QB    GLU- 114  29.43 +/- 1.76   0.000% *  0.1889% (0.33   0.02   0.02) =   0.000%
    Distance limit 2.72 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 = 0.908, support = 3.72, residual support = 33.1:
    * O T HA    GLU- 114 - QG    GLU- 114   3.09 +/- 0.41  67.740% * 53.3275% (1.00   3.48  39.38) =  71.133%  kept
        T HA    LEU  115 - QG    GLU- 114   4.06 +/- 1.00  32.183% * 45.5513% (0.69   4.32  17.64) =  28.867%  kept
          HA    CYS   53 - QG    GLU- 114  10.43 +/- 0.93   0.062% *  0.0607% (0.20   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG    GLU- 114  13.50 +/- 1.01   0.013% *  0.0537% (0.17   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG    GLU- 114  19.27 +/- 0.74   0.001% *  0.2960% (0.96   0.02   0.02) =   0.000%
          HA    ALA   34 - QG    GLU- 114  21.88 +/- 0.49   0.001% *  0.2562% (0.83   0.02   0.02) =   0.000%
          HA    ASN   28 - QG    GLU- 114  22.45 +/- 0.74   0.001% *  0.1984% (0.65   0.02   0.02) =   0.000%
          HA    THR   26 - QG    GLU- 114  24.88 +/- 0.74   0.000% *  0.2562% (0.83   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.03 A, kept.
 
    Peak 1455 (2.00, 2.31, 37.32 ppm):
    11 chemical-shift based assignments, quality = 0.917, support = 3.13, residual support = 32.8:
    * O T QB    GLU- 114 - QG    GLU- 114   2.11 +/- 0.03  55.037% * 74.2101% (0.96   3.53  39.38) =  80.643%  kept
          HB2   LYS+ 111 - QG    GLU- 114   2.27 +/- 0.36  41.745% * 23.4784% (0.72   1.48   5.53) =  19.352%  kept
          HB2   LEU  115 - QG    GLU- 114   3.91 +/- 1.20   3.215% *  0.0862% (0.20   0.02  17.64) =   0.005%
          HG3   PRO   58 - QG    GLU- 114  11.68 +/- 1.05   0.002% *  0.0970% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG    GLU- 114  19.24 +/- 1.44   0.000% *  0.3780% (0.87   0.02   0.02) =   0.000%
          HB    ILE   19 - QG    GLU- 114  19.37 +/- 0.80   0.000% *  0.4022% (0.92   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG    GLU- 114  20.08 +/- 1.01   0.000% *  0.3489% (0.80   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG    GLU- 114  21.17 +/- 1.00   0.000% *  0.3489% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG    GLU- 114  20.34 +/- 1.11   0.000% *  0.1791% (0.41   0.02   0.02) =   0.000%
        T HB3   GLU-  25 - QG    GLU- 114  26.88 +/- 0.63   0.000% *  0.4122% (0.94   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG    GLU- 114  22.55 +/- 0.87   0.000% *  0.0590% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.44 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 = 0.69, support = 5.75, residual support = 202.6:
    * O T HB2   LEU  115 - HA    LEU  115   2.75 +/- 0.09  18.967% * 84.4621% (0.84   6.22 228.53) =  80.264%  kept
      O T QB    GLU- 114 - HA    GLU- 114   2.26 +/- 0.12  60.534% *  3.4387% (0.07   3.00  39.38) =  10.429%  kept
      O   HB3   ARG+  54 - HA    ARG+  54   2.84 +/- 0.27  18.415% * 10.0782% (0.13   4.76 162.20) =   9.298%  kept
        T QB    GLU- 114 - HA    LEU  115   4.15 +/- 0.23   1.685% *  0.0838% (0.26   0.02  17.64) =   0.007%
        T HB2   LEU  115 - HA    GLU- 114   5.58 +/- 0.04   0.260% *  0.0743% (0.23   0.02  17.64) =   0.001%
          HG3   PRO   58 - HA    ARG+  54   6.38 +/- 0.34   0.122% *  0.1519% (0.47   0.02   0.02) =   0.001%
          HG3   PRO   58 - HA    LEU  115  10.71 +/- 0.64   0.006% *  0.2709% (0.83   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HA    ARG+  54  11.83 +/- 0.31   0.003% *  0.1522% (0.47   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    LEU  115  13.20 +/- 0.90   0.002% *  0.2174% (0.67   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    ARG+  54  13.13 +/- 0.97   0.002% *  0.0801% (0.25   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LEU  115  15.28 +/- 1.09   0.001% *  0.1428% (0.44   0.02   0.02) =   0.000%
          HG3   PRO   58 - HA    GLU- 114  14.07 +/- 0.55   0.001% *  0.0741% (0.23   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    LEU  115  14.70 +/- 0.47   0.001% *  0.0755% (0.23   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LEU  115  17.13 +/- 1.60   0.000% *  0.1217% (0.37   0.02   0.02) =   0.000%
        T QB    GLU- 114 - HA    ARG+  54  14.62 +/- 0.76   0.001% *  0.0470% (0.14   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    ARG+  54  18.24 +/- 0.84   0.000% *  0.1219% (0.37   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LEU  115  18.47 +/- 0.30   0.000% *  0.1019% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   67 - HA    GLU- 114  17.45 +/- 0.93   0.000% *  0.0595% (0.18   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    ARG+  54  18.19 +/- 0.79   0.000% *  0.0571% (0.18   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HA    GLU- 114  17.32 +/- 0.39   0.000% *  0.0207% (0.06   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    GLU- 114  20.04 +/- 1.12   0.000% *  0.0391% (0.12   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    ARG+  54  22.11 +/- 0.99   0.000% *  0.0682% (0.21   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    GLU- 114  20.90 +/- 1.92   0.000% *  0.0333% (0.10   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    GLU- 114  23.00 +/- 0.38   0.000% *  0.0279% (0.09   0.02   0.02) =   0.000%
    Distance limit 2.81 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 = 0.332, support = 6.35, residual support = 228.5:
      O T HB3   LEU  115 - HA    LEU  115   2.23 +/- 0.05  93.169% * 25.5405% (0.26   6.34 228.53) =  84.142%  kept
    * O T HG    LEU  115 - HA    LEU  115   3.72 +/- 0.36   6.204% * 72.2755% (0.72   6.38 228.53) =  15.857%  kept
          QB    ALA  120 - HA    LEU  115   7.02 +/- 0.23   0.096% *  0.2264% (0.72   0.02   0.02) =   0.001%
        T HG    LEU  115 - HA    GLU- 114   6.43 +/- 0.57   0.183% *  0.0619% (0.20   0.02  17.64) =   0.000%
          QB    ALA  120 - HA    GLU- 114   7.25 +/- 0.24   0.079% *  0.0619% (0.20   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    GLU- 114   6.43 +/- 0.16   0.162% *  0.0220% (0.07   0.02  17.64) =   0.000%
          HD2   LYS+ 121 - HA    LEU  115   9.34 +/- 1.71   0.036% *  0.0581% (0.19   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    GLU- 114   9.30 +/- 2.08   0.047% *  0.0159% (0.05   0.02   0.02) =   0.000%
        T HG    LEU  115 - HA    ARG+  54  11.83 +/- 0.66   0.004% *  0.1269% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ARG+  54  12.70 +/- 0.75   0.003% *  0.0888% (0.28   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    LEU  115  15.10 +/- 0.42   0.001% *  0.2587% (0.83   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    LEU  115  13.82 +/- 1.93   0.002% *  0.1073% (0.34   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HA    ARG+  54  11.77 +/- 0.39   0.004% *  0.0452% (0.14   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    LEU  115  13.60 +/- 0.49   0.002% *  0.0806% (0.26   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LEU  115  15.48 +/- 0.74   0.001% *  0.1583% (0.51   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    LEU  115  15.26 +/- 0.69   0.001% *  0.0726% (0.23   0.02   0.02) =   0.000%
          QB    ALA  120 - HA    ARG+  54  16.78 +/- 0.41   0.001% *  0.1269% (0.41   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    ARG+  54  14.33 +/- 0.83   0.001% *  0.0407% (0.13   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    GLU- 114  18.19 +/- 0.44   0.000% *  0.0708% (0.23   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    LEU  115  19.17 +/- 0.42   0.000% *  0.0890% (0.28   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ARG+  54  17.63 +/- 0.70   0.000% *  0.0499% (0.16   0.02   0.02) =   0.000%
          HG    LEU   67 - HA    GLU- 114  17.78 +/- 2.17   0.000% *  0.0294% (0.09   0.02   0.02) =   0.000%
        T HG    LEU   67 - HA    ARG+  54  19.81 +/- 1.05   0.000% *  0.0602% (0.19   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    GLU- 114  16.77 +/- 0.45   0.001% *  0.0220% (0.07   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HA    ARG+  54  23.69 +/- 0.95   0.000% *  0.1451% (0.46   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    GLU- 114  19.92 +/- 0.74   0.000% *  0.0433% (0.14   0.02   0.02) =   0.000%
        T HG    LEU   40 - HA    ARG+  54  22.25 +/- 0.96   0.000% *  0.0452% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    GLU- 114  19.85 +/- 0.66   0.000% *  0.0199% (0.06   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HA    ARG+  54  22.75 +/- 1.42   0.000% *  0.0326% (0.10   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    GLU- 114  22.64 +/- 0.46   0.000% *  0.0244% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 6.22, residual support = 228.5:
    *   T QD1   LEU  115 - HA    LEU  115   4.00 +/- 0.14  93.498% * 99.1809% (0.84   6.22 228.53) =  99.992%  kept
        T QD1   LEU  115 - HA    GLU- 114   6.63 +/- 0.54   5.053% *  0.0872% (0.23   0.02  17.64) =   0.005%
        T QD1   LEU  115 - HA    ARG+  54   8.24 +/- 0.52   1.340% *  0.1787% (0.47   0.02   0.02) =   0.003%
          QG1   VAL   75 - HA    LEU  115  14.62 +/- 0.74   0.041% *  0.3015% (0.79   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    ARG+  54  13.94 +/- 0.65   0.054% *  0.1691% (0.44   0.02   0.02) =   0.000%
          QG1   VAL   75 - HA    GLU- 114  17.44 +/- 0.73   0.014% *  0.0825% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1461 (0.59, 4.12, 59.41 ppm):
    21 chemical-shift based assignments, quality = 0.806, support = 7.47, residual support = 228.5:
    *   T QD2   LEU  115 - HA    LEU  115   2.96 +/- 0.22  91.812% * 97.6521% (0.81   7.47 228.53) =  99.983%  kept
          QD1   LEU   63 - HA    LEU  115   5.10 +/- 0.54   4.655% *  0.2563% (0.79   0.02   0.02) =   0.013%
          QD2   LEU   63 - HA    LEU  115   6.04 +/- 0.56   1.551% *  0.1017% (0.31   0.02   0.02) =   0.002%
        T QD2   LEU  115 - HA    GLU- 114   6.00 +/- 0.18   1.573% *  0.0715% (0.22   0.02  17.64) =   0.001%
          QD1   LEU   63 - HA    GLU- 114   8.92 +/- 0.52   0.145% *  0.0701% (0.22   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HA    ARG+  54  10.19 +/- 0.32   0.064% *  0.1466% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    LEU  115  11.43 +/- 0.33   0.030% *  0.2070% (0.64   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    ARG+  54  11.64 +/- 0.43   0.026% *  0.1437% (0.44   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLU- 114   9.49 +/- 0.53   0.095% *  0.0278% (0.09   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    LEU  115  15.26 +/- 0.38   0.005% *  0.2563% (0.79   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLU- 114  12.98 +/- 0.44   0.015% *  0.0566% (0.17   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    ARG+  54  13.06 +/- 1.02   0.014% *  0.0570% (0.18   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    LEU  115  18.21 +/- 0.59   0.002% *  0.2563% (0.79   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    ARG+  54  17.02 +/- 0.56   0.003% *  0.1437% (0.44   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    ARG+  54  17.22 +/- 0.56   0.002% *  0.1437% (0.44   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    LEU  115  18.93 +/- 0.80   0.002% *  0.0836% (0.26   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLU- 114  18.54 +/- 0.50   0.002% *  0.0701% (0.22   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    ARG+  54  20.79 +/- 0.55   0.001% *  0.1161% (0.36   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLU- 114  21.09 +/- 0.57   0.001% *  0.0701% (0.22   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    ARG+  54  19.83 +/- 0.91   0.001% *  0.0469% (0.14   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLU- 114  21.27 +/- 0.87   0.001% *  0.0229% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 2 structures by 0.05 A, kept.
 
    Peak 1462 (4.12, 1.98, 42.01 ppm):
    9 chemical-shift based assignments, quality = 0.835, support = 6.22, residual support = 228.5:
    * O T HA    LEU  115 - HB2   LEU  115   2.75 +/- 0.09  98.555% * 98.1641% (0.84   6.22 228.53) =  99.998%  kept
        T HA    GLU- 114 - HB2   LEU  115   5.58 +/- 0.04   1.425% *  0.1288% (0.34   0.02  17.64) =   0.002%
        T HA    ARG+  54 - HB2   LEU  115  11.83 +/- 0.31   0.016% *  0.3487% (0.92   0.02   0.02) =   0.000%
          HA    ALA  124 - HB2   LEU  115  17.70 +/- 0.33   0.001% *  0.3155% (0.84   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB2   LEU  115  20.99 +/- 0.74   0.001% *  0.1553% (0.41   0.02   0.02) =   0.000%
          HA    ALA   34 - HB2   LEU  115  23.17 +/- 0.61   0.000% *  0.2595% (0.69   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB2   LEU  115  22.17 +/- 0.87   0.000% *  0.1839% (0.49   0.02   0.02) =   0.000%
          HA    ASN   28 - HB2   LEU  115  24.38 +/- 0.87   0.000% *  0.3276% (0.87   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB2   LEU  115  28.88 +/- 0.58   0.000% *  0.1166% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.447, support = 6.16, residual support = 228.5:
      O T HB3   LEU  115 - HB2   LEU  115   1.75 +/- 0.00  89.692% * 25.5677% (0.31   6.12 228.53) =  75.224%  kept
    * O T HG    LEU  115 - HB2   LEU  115   2.55 +/- 0.21  10.298% * 73.3431% (0.87   6.25 228.53) =  24.776%  kept
          QB    ALA  120 - HB2   LEU  115   8.42 +/- 0.30   0.007% *  0.2346% (0.87   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB2   LEU  115  11.91 +/- 1.74   0.001% *  0.0602% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HB2   LEU  115  15.42 +/- 0.76   0.000% *  0.1641% (0.61   0.02   0.02) =   0.000%
          HG    LEU   67 - HB2   LEU  115  15.48 +/- 1.74   0.000% *  0.1112% (0.41   0.02   0.02) =   0.000%
        T HB3   LEU   40 - HB2   LEU  115  17.36 +/- 0.54   0.000% *  0.2681% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB2   LEU  115  15.50 +/- 0.75   0.000% *  0.0752% (0.28   0.02   0.02) =   0.000%
        T HG    LEU   40 - HB2   LEU  115  15.83 +/- 0.66   0.000% *  0.0835% (0.31   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LEU  115  19.54 +/- 0.51   0.000% *  0.0923% (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 = 228.5:
    * O T QD1   LEU  115 - HB2   LEU  115   2.36 +/- 0.12  99.998% * 99.6857% (1.00   6.00 228.53) = 100.000%  kept
          QG1   VAL   75 - HB2   LEU  115  14.68 +/- 0.87   0.002% *  0.3143% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1466 (0.59, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 228.5:
    * O T QD2   LEU  115 - HB2   LEU  115   3.06 +/- 0.33  97.417% * 98.7875% (0.97   7.24 228.53) =  99.994%  kept
          QD1   LEU   63 - HB2   LEU  115   6.32 +/- 0.73   1.912% *  0.2676% (0.95   0.02   0.02) =   0.005%
          QD2   LEU   63 - HB2   LEU  115   7.48 +/- 0.70   0.646% *  0.1062% (0.38   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB2   LEU  115  13.60 +/- 0.40   0.015% *  0.2162% (0.76   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   LEU  115  16.18 +/- 0.50   0.005% *  0.2676% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LEU  115  18.39 +/- 0.65   0.002% *  0.2676% (0.95   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LEU  115  19.40 +/- 1.01   0.002% *  0.0873% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 6.38, residual support = 228.5:
    * O T HA    LEU  115 - HG    LEU  115   3.72 +/- 0.36  94.274% * 97.5150% (0.72   6.38 228.53) =  99.993%  kept
        T HA    GLU- 114 - HG    LEU  115   6.43 +/- 0.57   4.482% *  0.1248% (0.30   0.02  17.64) =   0.006%
          HA    ALA   34 - HG    LEU   40   8.92 +/- 0.70   0.600% *  0.0853% (0.20   0.02   0.02) =   0.001%
        T HA    ARG+  54 - HG    LEU  115  11.83 +/- 0.66   0.111% *  0.3376% (0.80   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU   40   9.74 +/- 0.77   0.345% *  0.0605% (0.14   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG    LEU   40  13.60 +/- 0.49   0.044% *  0.1038% (0.25   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU   40  13.96 +/- 1.13   0.043% *  0.1038% (0.25   0.02   0.02) =   0.000%
          HA    ALA  124 - HG    LEU  115  16.65 +/- 0.52   0.012% *  0.3055% (0.72   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU   40  14.94 +/- 0.99   0.026% *  0.1077% (0.26   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU   40  13.84 +/- 0.22   0.039% *  0.0383% (0.09   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HG    LEU   40  16.77 +/- 0.45   0.012% *  0.0424% (0.10   0.02   0.02) =   0.000%
          HA    ALA   34 - HG    LEU  115  23.59 +/- 1.05   0.002% *  0.2512% (0.60   0.02   0.02) =   0.000%
          HA    ASN   28 - HG    LEU  115  25.48 +/- 1.05   0.001% *  0.3172% (0.75   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU  115  22.75 +/- 0.79   0.002% *  0.1504% (0.36   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG    LEU  115  23.20 +/- 1.09   0.002% *  0.1780% (0.42   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG    LEU   40  22.25 +/- 0.96   0.002% *  0.1147% (0.27   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG    LEU   40  21.57 +/- 1.05   0.003% *  0.0511% (0.12   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG    LEU  115  29.43 +/- 1.05   0.000% *  0.1129% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1468 (1.98, 1.48, 26.92 ppm):
    16 chemical-shift based assignments, quality = 0.867, support = 6.25, residual support = 228.5:
    * O T HB2   LEU  115 - HG    LEU  115   2.55 +/- 0.21  98.888% * 98.3194% (0.87   6.25 228.53) =  99.998%  kept
          HG3   PRO   58 - HG    LEU  115   7.88 +/- 0.71   0.224% *  0.3138% (0.87   0.02   0.02) =   0.001%
          QB    GLU- 114 - HG    LEU  115   6.12 +/- 0.47   0.631% *  0.0971% (0.27   0.02  17.64) =   0.001%
        T HB2   LEU   67 - HG    LEU   40   8.04 +/- 1.38   0.176% *  0.0855% (0.24   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU   40  11.58 +/- 2.19   0.034% *  0.0479% (0.13   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HG    LEU  115  14.11 +/- 0.99   0.005% *  0.2519% (0.69   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU  115  12.48 +/- 0.42   0.008% *  0.0875% (0.24   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU  115  15.32 +/- 1.42   0.004% *  0.1655% (0.46   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU   40  12.28 +/- 1.30   0.012% *  0.0401% (0.11   0.02   0.02) =   0.000%
          HB    VAL   18 - HG    LEU   40  13.56 +/- 1.72   0.009% *  0.0562% (0.16   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG    LEU  115  17.66 +/- 1.65   0.002% *  0.1410% (0.39   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HG    LEU   40  15.83 +/- 0.66   0.002% *  0.1068% (0.29   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG    LEU   40  14.50 +/- 0.55   0.004% *  0.0330% (0.09   0.02   0.02) =   0.000%
          HB    ILE   19 - HG    LEU  115  19.48 +/- 1.12   0.001% *  0.1180% (0.33   0.02   0.02) =   0.000%
          HG3   PRO   58 - HG    LEU   40  19.76 +/- 0.89   0.001% *  0.1066% (0.29   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HG    LEU   40  24.12 +/- 0.88   0.000% *  0.0297% (0.08   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 6.17, residual support = 228.5:
    * O T QD1   LEU  115 - HG    LEU  115   2.11 +/- 0.01  99.996% * 99.4816% (0.87   6.17 228.53) = 100.000%  kept
          QG1   VAL   75 - HG    LEU  115  15.85 +/- 1.20   0.001% *  0.3052% (0.82   0.02   0.02) =   0.000%
          QG1   VAL   75 - HG    LEU   40  13.60 +/- 1.09   0.002% *  0.1036% (0.28   0.02   0.02) =   0.000%
        T QD1   LEU  115 - HG    LEU   40  13.80 +/- 0.66   0.001% *  0.1096% (0.29   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 7.37, residual support = 228.5:
    * O T QD2   LEU  115 - HG    LEU  115   2.09 +/- 0.01  87.054% * 98.3231% (0.84   7.38 228.53) =  99.989%  kept
          QD1   LEU  104 - HG    LEU   40   4.00 +/- 1.23  12.430% *  0.0717% (0.23   0.02   0.02) =   0.010%
          QD1   LEU   63 - HG    LEU  115   6.24 +/- 0.95   0.235% *  0.2614% (0.82   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG    LEU  115   7.00 +/- 0.92   0.120% *  0.1037% (0.33   0.02   0.02) =   0.000%
          QD1   LEU   63 - HG    LEU   40   7.48 +/- 0.72   0.055% *  0.0888% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG    LEU   40   7.50 +/- 1.22   0.079% *  0.0352% (0.11   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU   40   8.68 +/- 0.92   0.022% *  0.0888% (0.28   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG    LEU  115  13.95 +/- 0.55   0.001% *  0.2111% (0.66   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HG    LEU   40  12.44 +/- 0.58   0.002% *  0.0906% (0.28   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG    LEU  115  16.85 +/- 0.99   0.000% *  0.2614% (0.82   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU   40  15.46 +/- 1.10   0.001% *  0.0888% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG    LEU  115  19.48 +/- 0.80   0.000% *  0.2614% (0.82   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU   40  15.42 +/- 0.98   0.001% *  0.0290% (0.09   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG    LEU  115  20.69 +/- 1.11   0.000% *  0.0853% (0.27   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 6.22, residual support = 228.5:
    *   T HA    LEU  115 - QD1   LEU  115   4.00 +/- 0.14  93.536% * 98.1641% (0.84   6.22 228.53) =  99.988%  kept
        T HA    GLU- 114 - QD1   LEU  115   6.63 +/- 0.54   5.056% *  0.1288% (0.34   0.02  17.64) =   0.007%
        T HA    ARG+  54 - QD1   LEU  115   8.24 +/- 0.52   1.340% *  0.3487% (0.92   0.02   0.02) =   0.005%
          HA    ALA  124 - QD1   LEU  115  14.91 +/- 0.31   0.035% *  0.3155% (0.84   0.02   0.02) =   0.000%
          HA    ALA   34 - QD1   LEU  115  19.57 +/- 0.52   0.007% *  0.2595% (0.69   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD1   LEU  115  18.10 +/- 0.48   0.011% *  0.1553% (0.41   0.02   0.02) =   0.000%
          HA    ASN   28 - QD1   LEU  115  20.75 +/- 0.55   0.005% *  0.3276% (0.87   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD1   LEU  115  19.69 +/- 0.76   0.007% *  0.1839% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD1   LEU  115  24.57 +/- 0.49   0.002% *  0.1166% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1473 (1.98, 0.43, 25.13 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 228.5:
    * O T HB2   LEU  115 - QD1   LEU  115   2.36 +/- 0.12  97.577% * 98.7703% (1.00   6.00 228.53) =  99.993%  kept
          HG3   PRO   58 - QD1   LEU  115   5.16 +/- 0.65   1.841% *  0.3285% (1.00   0.02   0.02) =   0.006%
          QB    GLU- 114 - QD1   LEU  115   5.87 +/- 0.64   0.525% *  0.1016% (0.31   0.02  17.64) =   0.001%
          HB3   ARG+  54 - QD1   LEU  115   8.86 +/- 0.61   0.040% *  0.0915% (0.28   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD1   LEU  115  11.65 +/- 0.61   0.007% *  0.2636% (0.80   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU  115  11.78 +/- 0.62   0.007% *  0.1732% (0.53   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD1   LEU  115  14.84 +/- 1.01   0.002% *  0.1476% (0.45   0.02   0.02) =   0.000%
          HB    ILE   19 - QD1   LEU  115  15.47 +/- 0.54   0.001% *  0.1236% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1474 (1.48, 0.43, 25.13 ppm):
    10 chemical-shift based assignments, quality = 0.784, support = 6.16, residual support = 228.5:
    * O T HG    LEU  115 - QD1   LEU  115   2.11 +/- 0.01  66.631% * 73.0779% (0.87   6.17 228.53) =  84.985%  kept
      O T HB3   LEU  115 - QD1   LEU  115   2.41 +/- 0.28  33.316% * 25.8220% (0.31   6.12 228.53) =  15.015%  kept
          QB    ALA  120 - QD1   LEU  115   7.43 +/- 0.46   0.041% *  0.2370% (0.87   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU  115  12.22 +/- 0.61   0.002% *  0.1657% (0.61   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - QD1   LEU  115  11.26 +/- 1.31   0.004% *  0.0608% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD1   LEU  115  11.34 +/- 0.93   0.003% *  0.0760% (0.28   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   LEU  115  12.48 +/- 1.13   0.002% *  0.1123% (0.41   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD1   LEU  115  15.00 +/- 0.61   0.001% *  0.2708% (0.99   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD1   LEU  115  13.80 +/- 0.66   0.001% *  0.0843% (0.31   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU  115  16.08 +/- 0.47   0.000% *  0.0932% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1475 (0.43, 0.43, 25.13 ppm):
    1 diagonal assignment:
    *     QD1   LEU  115 - QD1   LEU  115  (1.00)  kept
 
    Peak 1476 (0.59, 0.43, 25.13 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 228.5:
    * O T QD2   LEU  115 - QD1   LEU  115   2.00 +/- 0.06  99.380% * 98.7875% (0.97   7.24 228.53) =  99.999%  kept
          QD1   LEU   63 - QD1   LEU  115   5.18 +/- 0.58   0.418% *  0.2676% (0.95   0.02   0.02) =   0.001%
          QD2   LEU   63 - QD1   LEU  115   6.06 +/- 0.72   0.198% *  0.1062% (0.38   0.02   0.02) =   0.000%
          QD1   LEU  104 - QD1   LEU  115  12.26 +/- 0.29   0.002% *  0.2162% (0.76   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD1   LEU  115  13.61 +/- 0.40   0.001% *  0.2676% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   LEU  115  15.48 +/- 0.68   0.000% *  0.2676% (0.95   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   LEU  115  16.72 +/- 0.66   0.000% *  0.0873% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 7.47, residual support = 228.5:
    *   T HA    LEU  115 - QD2   LEU  115   2.96 +/- 0.22  98.173% * 98.4661% (0.81   7.47 228.53) =  99.998%  kept
        T HA    GLU- 114 - QD2   LEU  115   6.00 +/- 0.18   1.733% *  0.1077% (0.33   0.02  17.64) =   0.002%
        T HA    ARG+  54 - QD2   LEU  115  10.19 +/- 0.32   0.070% *  0.2913% (0.89   0.02   0.02) =   0.000%
          HA    ALA  124 - QD2   LEU  115  12.50 +/- 0.37   0.018% *  0.2636% (0.81   0.02   0.02) =   0.000%
          HA    ALA   34 - QD2   LEU  115  18.68 +/- 0.58   0.002% *  0.2168% (0.66   0.02   0.02) =   0.000%
          HA1   GLY  101 - QD2   LEU  115  18.73 +/- 0.68   0.002% *  0.1536% (0.47   0.02   0.02) =   0.000%
          HA    ASN   28 - QD2   LEU  115  20.80 +/- 0.63   0.001% *  0.2738% (0.84   0.02   0.02) =   0.000%
          HA    LYS+  81 - QD2   LEU  115  19.41 +/- 0.46   0.001% *  0.1297% (0.40   0.02   0.02) =   0.000%
          HA    GLU-  36 - QD2   LEU  115  23.58 +/- 0.58   0.000% *  0.0974% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 2 structures by 0.06 A, kept.
 
    Peak 1478 (1.98, 0.59, 23.43 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 228.5:
    * O T HB2   LEU  115 - QD2   LEU  115   3.06 +/- 0.33  96.157% * 98.9784% (0.97   7.24 228.53) =  99.994%  kept
          HG3   PRO   58 - QD2   LEU  115   6.29 +/- 0.57   1.334% *  0.2729% (0.96   0.02   0.02) =   0.004%
          QB    GLU- 114 - QD2   LEU  115   5.82 +/- 0.28   2.311% *  0.0844% (0.30   0.02  17.64) =   0.002%
          HB2   LEU   67 - QD2   LEU  115  10.37 +/- 1.05   0.089% *  0.2190% (0.77   0.02   0.02) =   0.000%
          HB    VAL   18 - QD2   LEU  115  11.96 +/- 0.73   0.035% *  0.1439% (0.51   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU  115  11.04 +/- 0.45   0.049% *  0.0761% (0.27   0.02   0.02) =   0.000%
          HG2   PRO   68 - QD2   LEU  115  13.20 +/- 0.89   0.019% *  0.1226% (0.43   0.02   0.02) =   0.000%
          HB    ILE   19 - QD2   LEU  115  15.45 +/- 0.47   0.007% *  0.1027% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1479 (1.48, 0.59, 23.43 ppm):
    10 chemical-shift based assignments, quality = 0.775, support = 7.37, residual support = 228.5:
    * O T HG    LEU  115 - QD2   LEU  115   2.09 +/- 0.01  72.746% * 73.2015% (0.84   7.38 228.53) =  88.410%  kept
      O T HB3   LEU  115 - QD2   LEU  115   2.52 +/- 0.29  26.974% * 25.8770% (0.30   7.33 228.53) =  11.589%  kept
          QB    ALA  120 - QD2   LEU  115   5.41 +/- 0.29   0.252% *  0.1985% (0.84   0.02   0.02) =   0.001%
          HD2   LYS+ 121 - QD2   LEU  115   9.18 +/- 1.26   0.015% *  0.0509% (0.21   0.02   0.02) =   0.000%
          HG    LEU   67 - QD2   LEU  115  11.02 +/- 1.76   0.005% *  0.0941% (0.40   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU  115  10.87 +/- 0.52   0.004% *  0.0636% (0.27   0.02   0.02) =   0.000%
        T HB3   LEU   40 - QD2   LEU  115  13.51 +/- 0.72   0.001% *  0.2268% (0.96   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD2   LEU  115  12.95 +/- 0.72   0.001% *  0.1388% (0.59   0.02   0.02) =   0.000%
        T HG    LEU   40 - QD2   LEU  115  12.44 +/- 0.58   0.002% *  0.0706% (0.30   0.02   0.02) =   0.000%
          QG2   THR   26 - QD2   LEU  115  16.45 +/- 0.51   0.000% *  0.0781% (0.33   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1480 (0.43, 0.59, 23.43 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 7.24, residual support = 228.5:
    * O T QD1   LEU  115 - QD2   LEU  115   2.00 +/- 0.06  99.999% * 99.7393% (0.97   7.24 228.53) = 100.000%  kept
          QG1   VAL   75 - QD2   LEU  115  13.27 +/- 0.75   0.001% *  0.2607% (0.91   0.02   0.02) =   0.000%
    Distance limit 2.50 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 = 112.2:
    * O T HB2   GLN  116 - HA    GLN  116   2.98 +/- 0.05  99.915% * 98.7527% (1.00   5.00 112.17) = 100.000%  kept
          HB2   PRO   58 - HA    GLN  116  10.06 +/- 0.55   0.071% *  0.2236% (0.57   0.02   0.02) =   0.000%
          HB3   PHE   97 - HA    GLN  116  13.25 +/- 0.43   0.013% *  0.3812% (0.97   0.02   0.02) =   0.000%
        T HB2   GLU- 100 - HA    GLN  116  23.28 +/- 0.84   0.000% *  0.3872% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  79 - HA    GLN  116  24.37 +/- 0.84   0.000% *  0.1771% (0.45   0.02   0.02) =   0.000%
        T QG    GLN   32 - HA    GLN  116  27.00 +/- 0.55   0.000% *  0.0782% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.91 A violated in 0 structures by 0.08 A, kept.
 
    Peak 1484 (2.54, 4.01, 60.31 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.93, residual support = 112.2:
    * O T HG2   GLN  116 - HA    GLN  116   2.32 +/- 0.32  99.975% * 99.4876% (1.00   4.93 112.17) = 100.000%  kept
          HB3   PHE   95 - HA    GLN  116  10.03 +/- 0.27   0.025% *  0.4001% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HA    GLN  116  32.92 +/- 0.36   0.000% *  0.1122% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 1 structures by 0.02 A, kept.
 
    Peak 1485 (4.01, 2.37, 29.51 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 112.2:
    * O T HA    GLN  116 - HB2   GLN  116   2.98 +/- 0.05  99.996% * 98.1081% (1.00   5.00 112.17) = 100.000%  kept
          HA    VAL   70 - HB2   GLN  116  20.47 +/- 0.52   0.001% *  0.3924% (1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   GLN  116  19.81 +/- 0.31   0.001% *  0.2696% (0.69   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB2   GLN  116  21.78 +/- 0.43   0.001% *  0.0777% (0.20   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   GLN  116  24.02 +/- 0.33   0.000% *  0.0979% (0.25   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   GLN  116  30.44 +/- 0.44   0.000% *  0.3404% (0.87   0.02   0.02) =   0.000%
          HB2   SER   37 - HB2   GLN  116  27.74 +/- 0.66   0.000% *  0.1910% (0.49   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   GLN  116  30.96 +/- 0.51   0.000% *  0.2380% (0.61   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   GLN  116  31.88 +/- 0.35   0.000% *  0.2850% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 5.18, residual support = 112.2:
    * O T HG2   GLN  116 - HB2   GLN  116   2.73 +/- 0.08  99.982% * 99.5127% (1.00   5.18 112.17) = 100.000%  kept
          HB3   PHE   95 - HB2   GLN  116  11.55 +/- 0.28   0.018% *  0.3805% (0.99   0.02   0.02) =   0.000%
          HG2   GLU-  25 - HB2   GLN  116  34.73 +/- 0.37   0.000% *  0.1067% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.15 A, kept.
 
    Peak 1488 (4.01, 2.54, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 4.93, residual support = 112.2:
    * O T HA    GLN  116 - HG2   GLN  116   2.32 +/- 0.32  99.998% * 98.0813% (1.00   4.93 112.17) = 100.000%  kept
          HA    VAL   70 - HG2   GLN  116  19.55 +/- 0.44   0.000% *  0.3980% (1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   GLN  116  18.22 +/- 0.56   0.001% *  0.2734% (0.69   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   GLN  116  20.14 +/- 0.65   0.000% *  0.0788% (0.20   0.02   0.02) =   0.000%
          HA    SER   48 - HG2   GLN  116  22.94 +/- 0.58   0.000% *  0.0992% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   GLN  116  29.60 +/- 0.42   0.000% *  0.3452% (0.87   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   GLN  116  26.94 +/- 0.66   0.000% *  0.1937% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   GLN  116  31.04 +/- 0.41   0.000% *  0.2890% (0.73   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   GLN  116  30.76 +/- 0.53   0.000% *  0.2414% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 5.18, residual support = 112.2:
    * O T HB2   GLN  116 - HG2   GLN  116   2.73 +/- 0.08  99.927% * 98.7964% (1.00   5.18 112.17) = 100.000%  kept
          HB2   PRO   58 - HG2   GLN  116   9.31 +/- 0.58   0.069% *  0.2158% (0.57   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG2   GLN  116  15.18 +/- 0.42   0.003% *  0.3679% (0.97   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG2   GLN  116  25.34 +/- 0.81   0.000% *  0.3736% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG2   GLN  116  24.70 +/- 0.90   0.000% *  0.1709% (0.45   0.02   0.02) =   0.000%
          QG    GLN   32 - HG2   GLN  116  28.36 +/- 0.52   0.000% *  0.0754% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.58 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 = 1.63, residual support = 16.5:
    * O T QB    SER  117 - HA    SER  117   2.39 +/- 0.12  98.960% * 94.8095% (1.00   1.63  16.47) =  99.993%  kept
          HA    LYS+ 121 - HA    SER  117   6.13 +/- 0.39   0.392% *  0.9700% (0.84   0.02   0.02) =   0.004%
          HA    ALA  120 - HA    SER  117   5.57 +/- 0.13   0.643% *  0.4774% (0.41   0.02   5.97) =   0.003%
          HA    PHE   60 - HA    SER  117  13.34 +/- 0.23   0.003% *  0.7044% (0.61   0.02   0.02) =   0.000%
          HB    THR   94 - HA    SER  117  16.84 +/- 0.30   0.001% *  0.8875% (0.76   0.02   0.02) =   0.000%
        T HA2   GLY   51 - HA    SER  117  22.74 +/- 0.29   0.000% *  1.0415% (0.90   0.02   0.02) =   0.000%
        T QB    SER   48 - HA    SER  117  25.21 +/- 0.30   0.000% *  0.7513% (0.65   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA    SER  117  22.67 +/- 0.47   0.000% *  0.1792% (0.15   0.02   0.02) =   0.000%
        T QB    SER   85 - HA    SER  117  24.67 +/- 0.61   0.000% *  0.1792% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 1.63, residual support = 16.5:
    * O T HA    SER  117 - QB    SER  117   2.39 +/- 0.12  99.933% * 96.3455% (1.00   1.63  16.47) = 100.000%  kept
        T HA1   GLY   51 - QB    SER   48   8.48 +/- 0.26   0.054% *  0.0474% (0.04   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER  117  14.19 +/- 0.41   0.002% *  0.6681% (0.57   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER  117  14.64 +/- 0.41   0.002% *  0.4429% (0.38   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   48  12.92 +/- 0.25   0.004% *  0.1152% (0.10   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   48  15.01 +/- 0.77   0.002% *  0.2458% (0.21   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER   85  15.13 +/- 0.36   0.002% *  0.1458% (0.12   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER  117  19.53 +/- 0.56   0.000% *  0.1821% (0.15   0.02   0.02) =   0.000%
          HB    THR   26 - QB    SER  117  27.06 +/- 0.44   0.000% *  0.9450% (0.80   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   48  20.47 +/- 0.36   0.000% *  0.1738% (0.15   0.02   0.02) =   0.000%
          HA    ALA   57 - QB    SER   85  19.15 +/- 0.40   0.000% *  0.0683% (0.06   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   48  25.21 +/- 0.30   0.000% *  0.3069% (0.26   0.02   0.02) =   0.000%
        T HA    SER  117 - QB    SER   85  24.67 +/- 0.61   0.000% *  0.1821% (0.15   0.02   0.02) =   0.000%
        T HA1   GLY   51 - QB    SER   85  18.37 +/- 0.63   0.001% *  0.0281% (0.02   0.02   0.02) =   0.000%
          HA    ASP-  62 - QB    SER   85  24.81 +/- 0.39   0.000% *  0.1031% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 6.39, residual support = 247.7:
    * O T HB    ILE  119 - HA    ILE  119   3.01 +/- 0.01  99.926% * 97.6582% (0.87   6.39 247.74) = 100.000%  kept
          HB3   PRO   68 - HA    ILE  119  13.38 +/- 1.49   0.017% *  0.2824% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HA    ILE  119  12.02 +/- 0.35   0.025% *  0.1717% (0.49   0.02   0.02) =   0.000%
          HB    VAL  108 - HA    ILE  119  14.05 +/- 0.32   0.010% *  0.2281% (0.65   0.02   0.02) =   0.000%
          HB2   PRO   93 - HA    ILE  119  14.25 +/- 0.35   0.009% *  0.0980% (0.28   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    ILE  119  16.49 +/- 0.60   0.004% *  0.1450% (0.41   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HA    ILE  119  19.20 +/- 0.52   0.001% *  0.3255% (0.92   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    ILE  119  16.93 +/- 0.74   0.003% *  0.1450% (0.41   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HA    ILE  119  18.00 +/- 0.56   0.002% *  0.1997% (0.57   0.02   0.02) =   0.000%
          HB2   GLN   30 - HA    ILE  119  19.31 +/- 0.34   0.001% *  0.3059% (0.87   0.02   0.02) =   0.000%
          HG3   GLN   30 - HA    ILE  119  21.10 +/- 0.59   0.001% *  0.3526% (1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    ILE  119  28.53 +/- 0.34   0.000% *  0.0879% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 6.7, residual support = 247.7:
    * O T QG2   ILE  119 - HA    ILE  119   2.49 +/- 0.09  98.792% * 99.1599% (1.00   6.70 247.74) =  99.999%  kept
          QD1   LEU   67 - HA    ILE  119   6.76 +/- 2.42   1.117% *  0.0585% (0.20   0.02   0.02) =   0.001%
          QD2   LEU   40 - HA    ILE  119   8.63 +/- 0.49   0.063% *  0.0518% (0.18   0.02   0.02) =   0.000%
          QD1   ILE  103 - HA    ILE  119  12.87 +/- 0.74   0.006% *  0.2798% (0.95   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    ILE  119  10.72 +/- 0.44   0.017% *  0.0823% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   71 - HA    ILE  119  13.53 +/- 0.49   0.004% *  0.2566% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    ILE  119  16.05 +/- 1.14   0.002% *  0.1110% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 6.58, residual support = 247.7:
    * O T HG12  ILE  119 - HA    ILE  119   3.03 +/- 0.28  99.183% * 98.3367% (1.00   6.58 247.74) =  99.999%  kept
          HB2   ASP- 105 - HA    ILE  119   7.07 +/- 0.33   0.746% *  0.0923% (0.31   0.02   0.02) =   0.001%
          HB3   PHE   72 - HA    ILE  119  11.72 +/- 0.55   0.033% *  0.2285% (0.76   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HA    ILE  119  12.14 +/- 0.55   0.028% *  0.1934% (0.65   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    ILE  119  16.93 +/- 1.01   0.004% *  0.1573% (0.53   0.02   0.02) =   0.000%
          QG    GLN   90 - HA    ILE  119  19.11 +/- 1.15   0.002% *  0.2497% (0.84   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    ILE  119  19.22 +/- 0.59   0.002% *  0.2053% (0.69   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    ILE  119  19.95 +/- 1.45   0.001% *  0.2053% (0.69   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    ILE  119  24.98 +/- 0.47   0.000% *  0.2394% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HA    ILE  119  21.88 +/- 0.72   0.001% *  0.0461% (0.15   0.02   0.02) =   0.000%
          QB    MET   11 - HA    ILE  119  26.67 +/- 1.38   0.000% *  0.0461% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 5.84, residual support = 247.7:
    * O T HG13  ILE  119 - HA    ILE  119   2.49 +/- 0.32  98.697% * 98.9029% (1.00   5.84 247.74) =  99.999%  kept
          QG1   VAL  107 - HA    ILE  119   5.74 +/- 0.16   0.817% *  0.0523% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    ILE  119   7.22 +/- 0.13   0.234% *  0.1045% (0.31   0.02   1.94) =   0.000%
          QG2   VAL  107 - HA    ILE  119   7.17 +/- 0.24   0.215% *  0.0523% (0.15   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HA    ILE  119  10.12 +/- 1.32   0.035% *  0.1782% (0.53   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    ILE  119  17.07 +/- 0.41   0.001% *  0.2327% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    ILE  119  20.71 +/- 0.40   0.000% *  0.3379% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    ILE  119  21.80 +/- 0.93   0.000% *  0.1392% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1502 (1.02, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.962, support = 0.0199, residual support = 247.0:
    *   T QD1   ILE  119 - HA    ILE  119   3.51 +/- 0.59  99.592% * 34.1796% (0.97   0.02 247.74) =  99.710%  kept
          HB2   LEU  104 - HA    ILE  119   9.52 +/- 0.41   0.305% * 25.7178% (0.73   0.02   0.02) =   0.230%
          QG2   VAL  108 - HA    ILE  119  11.74 +/- 0.46   0.095% * 20.0513% (0.57   0.02   0.02) =   0.056%
        T HB    VAL   75 - HA    ILE  119  17.63 +/- 0.48   0.008% * 20.0513% (0.57   0.02   0.02) =   0.005%
    Distance limit 3.29 A violated in 15 structures by 0.37 A, eliminated.
    Peak unassigned.
 
    Peak 1503 (3.69, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 6.38, residual support = 247.7:
    * O T HA    ILE  119 - HB    ILE  119   3.01 +/- 0.01  97.962% * 98.8377% (0.87   6.39 247.74) =  99.994%  kept
        T HA    THR  118 - HB    ILE  119   5.74 +/- 0.07   2.027% *  0.2988% (0.84   0.02  38.45) =   0.006%
          HA2   GLY  109 - HB    ILE  119  14.35 +/- 0.48   0.008% *  0.2248% (0.63   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    ILE  119  21.53 +/- 0.54   0.001% *  0.2777% (0.78   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    ILE  119  23.26 +/- 0.59   0.000% *  0.3069% (0.86   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    ILE  119  20.53 +/- 0.47   0.001% *  0.0542% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 247.7:
    * O T QG2   ILE  119 - HB    ILE  119   2.12 +/- 0.01  99.940% * 99.1085% (0.87   6.31 247.74) = 100.000%  kept
          QD1   LEU   67 - HB    ILE  119   8.73 +/- 2.21   0.050% *  0.0621% (0.17   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB    ILE  119  14.69 +/- 0.75   0.001% *  0.2970% (0.82   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB    ILE  119  11.10 +/- 0.48   0.005% *  0.0550% (0.15   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB    ILE  119  12.53 +/- 0.43   0.002% *  0.0873% (0.24   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB    ILE  119  15.50 +/- 0.52   0.001% *  0.2723% (0.75   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB    ILE  119  16.98 +/- 1.15   0.000% *  0.1178% (0.33   0.02   0.02) =   0.000%
    Distance limit 2.82 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 = 5.91, residual support = 247.7:
    * O T HG12  ILE  119 - HB    ILE  119   2.40 +/- 0.08  99.952% * 98.1513% (0.87   5.91 247.74) = 100.000%  kept
          HB2   ASP- 105 - HB    ILE  119   8.90 +/- 0.30   0.039% *  0.1025% (0.27   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB    ILE  119  13.62 +/- 0.64   0.003% *  0.2539% (0.66   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HB    ILE  119  13.42 +/- 0.63   0.004% *  0.2149% (0.56   0.02   0.02) =   0.000%
          HG3   MET   92 - HB    ILE  119  18.79 +/- 0.79   0.000% *  0.2282% (0.60   0.02   0.02) =   0.000%
          QG    GLN   90 - HB    ILE  119  19.83 +/- 1.34   0.000% *  0.2775% (0.72   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB    ILE  119  18.78 +/- 0.93   0.000% *  0.1748% (0.46   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB    ILE  119  21.44 +/- 1.34   0.000% *  0.2282% (0.60   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB    ILE  119  27.22 +/- 0.56   0.000% *  0.2660% (0.69   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB    ILE  119  22.66 +/- 0.92   0.000% *  0.0513% (0.13   0.02   0.02) =   0.000%
          QB    MET   11 - HB    ILE  119  28.30 +/- 1.33   0.000% *  0.0513% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 5.56, residual support = 247.7:
    * O T HG13  ILE  119 - HB    ILE  119   2.99 +/- 0.09  97.264% * 98.8474% (0.87   5.56 247.74) =  99.998%  kept
          HD3   LYS+ 112 - HB    ILE  119   7.63 +/- 1.29   0.537% *  0.1872% (0.46   0.02   0.02) =   0.001%
        T QG1   VAL  107 - HB    ILE  119   6.15 +/- 0.25   1.370% *  0.0549% (0.13   0.02   0.02) =   0.001%
        T QG2   VAL  107 - HB    ILE  119   7.05 +/- 0.38   0.625% *  0.0549% (0.13   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    ILE  119   8.40 +/- 0.17   0.202% *  0.1098% (0.27   0.02   1.94) =   0.000%
          QB    ALA   20 - HB    ILE  119  18.02 +/- 0.47   0.002% *  0.2444% (0.60   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    ILE  119  23.34 +/- 0.42   0.000% *  0.3550% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    ILE  119  23.33 +/- 0.99   0.000% *  0.1463% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 247.7:
    * O T QD1   ILE  119 - HB    ILE  119   2.45 +/- 0.26  99.983% * 99.2972% (0.84   5.44 247.74) = 100.000%  kept
          HB2   LEU  104 - HB    ILE  119  12.23 +/- 0.37   0.009% *  0.2746% (0.63   0.02   0.02) =   0.000%
        T QG2   VAL  108 - HB    ILE  119  12.21 +/- 0.46   0.007% *  0.2141% (0.49   0.02   0.02) =   0.000%
          HB    VAL   75 - HB    ILE  119  19.16 +/- 0.52   0.000% *  0.2141% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1509 (3.69, 0.96, 17.56 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.7, residual support = 247.7:
    * O T HA    ILE  119 - QG2   ILE  119   2.49 +/- 0.09  99.514% * 98.8924% (1.00   6.70 247.74) =  99.999%  kept
          HA    THR  118 - QG2   ILE  119   6.09 +/- 0.03   0.480% *  0.2847% (0.97   0.02  38.45) =   0.001%
          HA2   GLY  109 - QG2   ILE  119  13.49 +/- 0.28   0.004% *  0.2142% (0.73   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   ILE  119  18.48 +/- 0.33   0.001% *  0.2646% (0.90   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   ILE  119  20.01 +/- 0.41   0.000% *  0.2924% (0.99   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   ILE  119  17.00 +/- 0.31   0.001% *  0.0517% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 247.7:
    * O T HB    ILE  119 - QG2   ILE  119   2.12 +/- 0.01  99.977% * 97.6324% (0.87   6.31 247.74) = 100.000%  kept
          HB3   PRO   68 - QG2   ILE  119  10.65 +/- 1.33   0.009% *  0.2855% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE  119  10.82 +/- 0.31   0.006% *  0.1735% (0.49   0.02   0.02) =   0.000%
          HB    VAL  108 - QG2   ILE  119  13.44 +/- 0.32   0.002% *  0.2306% (0.65   0.02   0.02) =   0.000%
          HB2   GLN   17 - QG2   ILE  119  13.34 +/- 0.54   0.002% *  0.1466% (0.41   0.02   0.02) =   0.000%
          HB2   PRO   93 - QG2   ILE  119  12.55 +/- 0.37   0.002% *  0.0991% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QG2   ILE  119  14.25 +/- 0.67   0.001% *  0.2018% (0.57   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE  119  14.18 +/- 0.62   0.001% *  0.1466% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   ILE  119  17.24 +/- 0.33   0.000% *  0.3093% (0.87   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   ILE  119  18.01 +/- 0.51   0.000% *  0.3291% (0.92   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   ILE  119  18.59 +/- 0.53   0.000% *  0.3565% (1.00   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE  119  25.01 +/- 0.36   0.000% *  0.0889% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 6.22, residual support = 247.7:
    * O T HG12  ILE  119 - QG2   ILE  119   3.20 +/- 0.05  99.504% * 98.2421% (1.00   6.22 247.74) =  99.999%  kept
          HB2   ASP- 105 - QG2   ILE  119   8.41 +/- 0.27   0.310% *  0.0975% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   72 - QG2   ILE  119  10.40 +/- 0.49   0.090% *  0.2414% (0.76   0.02   0.02) =   0.000%
          HB2   ASP-  44 - QG2   ILE  119  11.02 +/- 0.51   0.063% *  0.2044% (0.65   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   ILE  119  14.28 +/- 0.82   0.014% *  0.1662% (0.53   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE  119  16.59 +/- 1.03   0.006% *  0.2170% (0.69   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   ILE  119  17.40 +/- 0.86   0.004% *  0.2639% (0.84   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   ILE  119  16.87 +/- 0.53   0.005% *  0.2170% (0.69   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   ILE  119  21.97 +/- 0.43   0.001% *  0.2530% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   ILE  119  19.02 +/- 0.71   0.002% *  0.0487% (0.15   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE  119  22.21 +/- 1.01   0.001% *  0.0487% (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 = 5.86, residual support = 247.7:
    * O T HG13  ILE  119 - QG2   ILE  119   2.51 +/- 0.17  99.087% * 98.9070% (1.00   5.86 247.74) =  99.999%  kept
          HD3   LYS+ 112 - QG2   ILE  119   7.48 +/- 1.10   0.208% *  0.1775% (0.53   0.02   0.02) =   0.000%
          QG1   VAL  107 - QG2   ILE  119   6.43 +/- 0.12   0.377% *  0.0521% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   ILE  119   7.71 +/- 0.15   0.126% *  0.1042% (0.31   0.02   1.94) =   0.000%
          QG2   VAL  107 - QG2   ILE  119   7.18 +/- 0.21   0.198% *  0.0521% (0.15   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   ILE  119  14.43 +/- 0.39   0.003% *  0.2318% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   ILE  119  19.04 +/- 0.36   0.001% *  0.3367% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   ILE  119  19.44 +/- 0.71   0.001% *  0.1387% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.96 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 = 247.7:
    *   T QD1   ILE  119 - QG2   ILE  119   1.97 +/- 0.24  99.988% * 99.3343% (0.97   5.75 247.74) = 100.000%  kept
          HB2   LEU  104 - QG2   ILE  119  10.33 +/- 0.39   0.008% *  0.2601% (0.73   0.02   0.02) =   0.000%
          QG2   VAL  108 - QG2   ILE  119  11.41 +/- 0.31   0.003% *  0.2028% (0.57   0.02   0.02) =   0.000%
          HB    VAL   75 - QG2   ILE  119  16.02 +/- 0.45   0.000% *  0.2028% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1515 (3.69, 2.26, 30.83 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.58, residual support = 247.7:
    * O T HA    ILE  119 - HG12  ILE  119   3.03 +/- 0.28  97.191% * 98.8716% (1.00   6.58 247.74) =  99.992%  kept
        T HA    THR  118 - HG12  ILE  119   5.57 +/- 0.14   2.784% *  0.2901% (0.97   0.02  38.45) =   0.008%
          HA2   GLY  109 - HG12  ILE  119  12.56 +/- 0.36   0.021% *  0.2182% (0.73   0.02   0.02) =   0.000%
          HA    ALA   84 - HG12  ILE  119  19.28 +/- 0.69   0.002% *  0.2695% (0.90   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG12  ILE  119  21.36 +/- 0.44   0.001% *  0.2979% (0.99   0.02   0.02) =   0.000%
          HA    VAL   75 - HG12  ILE  119  18.33 +/- 0.67   0.002% *  0.0526% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 5.91, residual support = 247.7:
    * O T HB    ILE  119 - HG12  ILE  119   2.40 +/- 0.08  99.958% * 97.4741% (0.87   5.91 247.74) = 100.000%  kept
          HB2   LYS+ 111 - HG12  ILE  119   9.69 +/- 0.24   0.024% *  0.1851% (0.49   0.02   0.02) =   0.000%
          HB    VAL  108 - HG12  ILE  119  12.51 +/- 0.45   0.005% *  0.2461% (0.65   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG12  ILE  119  12.00 +/- 0.56   0.007% *  0.1058% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG12  ILE  119  15.21 +/- 1.28   0.002% *  0.3046% (0.80   0.02   0.02) =   0.000%
        T HB2   ARG+  54 - HG12  ILE  119  15.26 +/- 0.54   0.002% *  0.2153% (0.57   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG12  ILE  119  16.51 +/- 0.73   0.001% *  0.1564% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG12  ILE  119  20.02 +/- 0.73   0.000% *  0.3299% (0.87   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG12  ILE  119  17.99 +/- 0.50   0.001% *  0.1564% (0.41   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG12  ILE  119  21.59 +/- 0.87   0.000% *  0.3804% (1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG12  ILE  119  21.38 +/- 0.53   0.000% *  0.3511% (0.92   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG12  ILE  119  28.49 +/- 0.68   0.000% *  0.0948% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 6.22, residual support = 247.7:
    * O T QG2   ILE  119 - HG12  ILE  119   3.20 +/- 0.05  98.917% * 99.0951% (1.00   6.22 247.74) =  99.999%  kept
          QD1   LEU   67 - HG12  ILE  119   8.23 +/- 2.09   0.888% *  0.0631% (0.20   0.02   0.02) =   0.001%
          QD1   ILE  103 - HG12  ILE  119  13.37 +/- 0.96   0.022% *  0.3014% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   40 - HG12  ILE  119  10.25 +/- 0.60   0.100% *  0.0558% (0.18   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG12  ILE  119  11.45 +/- 0.45   0.050% *  0.0886% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG12  ILE  119  14.48 +/- 0.74   0.012% *  0.2764% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  119  14.96 +/- 1.15   0.011% *  0.1196% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.20 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 = 5.5, residual support = 247.7:
    * O T HG13  ILE  119 - HG12  ILE  119   1.75 +/- 0.00  99.604% * 98.8350% (1.00   5.50 247.74) = 100.000%  kept
          QG1   VAL  107 - HG12  ILE  119   4.83 +/- 0.30   0.244% *  0.0555% (0.15   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  119   5.48 +/- 0.35   0.116% *  0.0555% (0.15   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HG12  ILE  119   7.35 +/- 1.44   0.030% *  0.1892% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HG12  ILE  119   9.09 +/- 0.32   0.005% *  0.1110% (0.31   0.02   1.94) =   0.000%
          QB    ALA   20 - HG12  ILE  119  16.48 +/- 0.56   0.000% *  0.2471% (0.69   0.02   0.02) =   0.000%
          HB3   LEU   31 - HG12  ILE  119  21.64 +/- 0.75   0.000% *  0.3589% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   24 - HG12  ILE  119  21.50 +/- 1.15   0.000% *  0.1479% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.61 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 = 5.46, residual support = 247.7:
    * O T QD1   ILE  119 - HG12  ILE  119   2.15 +/- 0.01  99.988% * 99.2992% (0.97   5.46 247.74) = 100.000%  kept
          QG2   VAL  108 - HG12  ILE  119  10.72 +/- 0.50   0.007% *  0.2135% (0.57   0.02   0.02) =   0.000%
          HB2   LEU  104 - HG12  ILE  119  11.40 +/- 0.46   0.005% *  0.2738% (0.73   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  119  16.92 +/- 0.69   0.000% *  0.2135% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.78 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 = 5.84, residual support = 247.7:
    * O T HA    ILE  119 - HG13  ILE  119   2.49 +/- 0.32  99.545% * 98.7306% (1.00   5.84 247.74) =  99.998%  kept
        T HA    THR  118 - HG13  ILE  119   6.30 +/- 0.41   0.449% *  0.3263% (0.97   0.02  38.45) =   0.001%
          HA2   GLY  109 - HG13  ILE  119  13.73 +/- 0.43   0.004% *  0.2455% (0.73   0.02   0.02) =   0.000%
          HA    ALA   84 - HG13  ILE  119  19.29 +/- 0.56   0.001% *  0.3032% (0.90   0.02   0.02) =   0.000%
          HB2   TRP   49 - HG13  ILE  119  21.79 +/- 0.36   0.000% *  0.3351% (0.99   0.02   0.02) =   0.000%
          HA    VAL   75 - HG13  ILE  119  17.83 +/- 0.56   0.001% *  0.0592% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 5.56, residual support = 247.7:
    * O T HB    ILE  119 - HG13  ILE  119   2.99 +/- 0.09  99.899% * 97.3181% (0.87   5.56 247.74) = 100.000%  kept
          HB2   LYS+ 111 - HG13  ILE  119  11.25 +/- 0.34   0.036% *  0.1966% (0.49   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG13  ILE  119  13.61 +/- 1.25   0.014% *  0.3234% (0.80   0.02   0.02) =   0.000%
          HB    VAL  108 - HG13  ILE  119  13.64 +/- 0.53   0.012% *  0.2613% (0.65   0.02   0.02) =   0.000%
          HB2   PRO   93 - HG13  ILE  119  12.44 +/- 0.41   0.020% *  0.1123% (0.28   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HG13  ILE  119  15.72 +/- 0.52   0.005% *  0.2286% (0.57   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG13  ILE  119  15.14 +/- 0.67   0.006% *  0.1660% (0.41   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG13  ILE  119  16.57 +/- 0.53   0.004% *  0.1660% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG13  ILE  119  18.87 +/- 0.66   0.002% *  0.3503% (0.87   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG13  ILE  119  20.45 +/- 0.79   0.001% *  0.4039% (1.00   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG13  ILE  119  20.58 +/- 0.52   0.001% *  0.3728% (0.92   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG13  ILE  119  27.70 +/- 0.64   0.000% *  0.1007% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 5.86, residual support = 247.7:
    * O T QG2   ILE  119 - HG13  ILE  119   2.51 +/- 0.17  99.001% * 99.0404% (1.00   5.86 247.74) =  99.999%  kept
          QD1   LEU   67 - HG13  ILE  119   6.90 +/- 2.11   0.936% *  0.0669% (0.20   0.02   0.02) =   0.001%
          QD2   LEU   40 - HG13  ILE  119   9.53 +/- 0.52   0.038% *  0.0592% (0.18   0.02   0.02) =   0.000%
          QD1   ILE  103 - HG13  ILE  119  13.44 +/- 0.88   0.005% *  0.3196% (0.95   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG13  ILE  119  13.30 +/- 0.72   0.005% *  0.2931% (0.87   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG13  ILE  119  11.59 +/- 0.45   0.012% *  0.0939% (0.28   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  119  14.31 +/- 1.20   0.004% *  0.1268% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1524 (2.26, 1.12, 30.83 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 5.5, residual support = 247.7:
    * O T HG12  ILE  119 - HG13  ILE  119   1.75 +/- 0.00  99.986% * 98.0152% (1.00   5.50 247.74) = 100.000%  kept
          HB2   ASP- 105 - HG13  ILE  119   8.31 +/- 0.42   0.009% *  0.1101% (0.31   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG13  ILE  119  10.78 +/- 0.82   0.002% *  0.2726% (0.76   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG13  ILE  119  10.69 +/- 0.73   0.002% *  0.2307% (0.65   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG13  ILE  119  16.61 +/- 1.00   0.000% *  0.1877% (0.53   0.02   0.02) =   0.000%
          QG    GLN   90 - HG13  ILE  119  18.30 +/- 1.02   0.000% *  0.2979% (0.84   0.02   0.02) =   0.000%
          HG3   MET   92 - HG13  ILE  119  17.68 +/- 0.62   0.000% *  0.2450% (0.69   0.02   0.02) =   0.000%
          QG    GLU-  14 - HG13  ILE  119  19.14 +/- 1.53   0.000% *  0.2450% (0.69   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HG13  ILE  119  24.39 +/- 0.71   0.000% *  0.2856% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG13  ILE  119  20.21 +/- 0.91   0.000% *  0.0550% (0.15   0.02   0.02) =   0.000%
          QB    MET   11 - HG13  ILE  119  26.18 +/- 1.61   0.000% *  0.0550% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.67 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 = 5.11, residual support = 247.7:
    * O T QD1   ILE  119 - HG13  ILE  119   2.15 +/- 0.01  99.989% * 99.2522% (0.97   5.11 247.74) = 100.000%  kept
          HB2   LEU  104 - HG13  ILE  119  11.04 +/- 0.41   0.006% *  0.2922% (0.73   0.02   0.02) =   0.000%
          QG2   VAL  108 - HG13  ILE  119  11.51 +/- 0.55   0.004% *  0.2278% (0.57   0.02   0.02) =   0.000%
          HB    VAL   75 - HG13  ILE  119  16.52 +/- 0.66   0.001% *  0.2278% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.56 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 = 5.78, residual support = 247.7:
    *   T HA    ILE  119 - QD1   ILE  119   3.51 +/- 0.59  96.925% * 98.7185% (0.97   5.78 247.74) =  99.990%  kept
          HA    THR  118 - QD1   ILE  119   6.31 +/- 0.73   2.915% *  0.3294% (0.93   0.02  38.45) =   0.010%
          HA2   GLY  109 - QD1   ILE  119  11.13 +/- 0.26   0.122% *  0.2479% (0.70   0.02   0.02) =   0.000%
          HA    ALA   84 - QD1   ILE  119  16.65 +/- 0.60   0.010% *  0.3061% (0.87   0.02   0.02) =   0.000%
          HB2   TRP   49 - QD1   ILE  119  17.33 +/- 0.48   0.009% *  0.3383% (0.96   0.02   0.02) =   0.000%
        T HA    VAL   75 - QD1   ILE  119  15.14 +/- 0.26   0.019% *  0.0598% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 247.7:
    * O T HB    ILE  119 - QD1   ILE  119   2.45 +/- 0.26  99.875% * 97.2635% (0.84   5.44 247.74) = 100.000%  kept
          HB2   LYS+ 111 - QD1   ILE  119   8.91 +/- 0.31   0.053% *  0.2006% (0.47   0.02   0.02) =   0.000%
          HB3   PRO   68 - QD1   ILE  119  11.91 +/- 0.93   0.012% *  0.3300% (0.77   0.02   0.02) =   0.000%
        T HB    VAL  108 - QD1   ILE  119  11.57 +/- 0.47   0.013% *  0.2666% (0.62   0.02   0.02) =   0.000%
          HB2   PRO   93 - QD1   ILE  119   9.91 +/- 0.38   0.026% *  0.1146% (0.27   0.02   0.02) =   0.000%
          HB2   ARG+  54 - QD1   ILE  119  11.78 +/- 0.82   0.009% *  0.2333% (0.55   0.02   0.02) =   0.000%
          HB2   GLN   17 - QD1   ILE  119  12.66 +/- 0.55   0.006% *  0.1694% (0.40   0.02   0.02) =   0.000%
          QB    GLU-  15 - QD1   ILE  119  14.36 +/- 0.49   0.003% *  0.1694% (0.40   0.02   0.02) =   0.000%
          HB2   GLN   30 - QD1   ILE  119  16.61 +/- 0.39   0.001% *  0.3575% (0.84   0.02   0.02) =   0.000%
          HG3   GLN   30 - QD1   ILE  119  17.81 +/- 0.57   0.001% *  0.4121% (0.97   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QD1   ILE  119  18.75 +/- 0.98   0.001% *  0.3804% (0.89   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   ILE  119  23.69 +/- 0.41   0.000% *  0.1028% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 247.7:
    *   T QG2   ILE  119 - QD1   ILE  119   1.97 +/- 0.24  99.829% * 99.0213% (0.97   5.75 247.74) = 100.000%  kept
          QD1   LEU   67 - QD1   ILE  119   6.66 +/- 1.51   0.120% *  0.0682% (0.19   0.02   0.02) =   0.000%
          QD2   LEU   40 - QD1   ILE  119   9.25 +/- 0.79   0.030% *  0.0604% (0.17   0.02   0.02) =   0.000%
          QD1   ILE  103 - QD1   ILE  119  12.24 +/- 0.80   0.003% *  0.3260% (0.91   0.02   0.02) =   0.000%
          QG2   ILE  103 - QD1   ILE  119  10.78 +/- 0.84   0.011% *  0.0958% (0.27   0.02   0.02) =   0.000%
          QD2   LEU   71 - QD1   ILE  119  11.83 +/- 0.46   0.003% *  0.2989% (0.84   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QD1   ILE  119  11.87 +/- 0.93   0.003% *  0.1293% (0.36   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1530 (2.26, 1.02, 16.06 ppm):
    11 chemical-shift based assignments, quality = 0.965, support = 5.46, residual support = 247.7:
    * O T HG12  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  99.905% * 98.0014% (0.97   5.46 247.74) = 100.000%  kept
          HB2   ASP- 105 - QD1   ILE  119   8.23 +/- 0.93   0.061% *  0.1109% (0.30   0.02   0.02) =   0.000%
          HB2   ASP-  44 - QD1   ILE  119   9.19 +/- 0.39   0.017% *  0.2324% (0.62   0.02   0.02) =   0.000%
          HB3   PHE   72 - QD1   ILE  119   9.61 +/- 0.52   0.013% *  0.2745% (0.74   0.02   0.02) =   0.000%
          HG3   MET   92 - QD1   ILE  119  14.28 +/- 0.50   0.001% *  0.2467% (0.66   0.02   0.02) =   0.000%
          QG    GLN   90 - QD1   ILE  119  15.49 +/- 0.85   0.001% *  0.3000% (0.81   0.02   0.02) =   0.000%
          QG    GLU-  15 - QD1   ILE  119  14.41 +/- 0.75   0.001% *  0.1890% (0.51   0.02   0.02) =   0.000%
          QG    GLU-  14 - QD1   ILE  119  16.29 +/- 1.09   0.001% *  0.2467% (0.66   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD1   ILE  119  21.10 +/- 0.59   0.000% *  0.2876% (0.77   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QD1   ILE  119  16.76 +/- 0.65   0.000% *  0.0554% (0.15   0.02   0.02) =   0.000%
          QB    MET   11 - QD1   ILE  119  22.26 +/- 1.16   0.000% *  0.0554% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.76 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 = 5.11, residual support = 247.7:
    * O T HG13  ILE  119 - QD1   ILE  119   2.15 +/- 0.01  98.359% * 98.7485% (0.97   5.11 247.74) =  99.998%  kept
          HD3   LYS+ 112 - QD1   ILE  119   5.64 +/- 1.23   0.607% *  0.2033% (0.51   0.02   0.02) =   0.001%
          QG1   VAL  107 - QD1   ILE  119   5.30 +/- 0.49   0.599% *  0.0596% (0.15   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD1   ILE  119   5.44 +/- 0.33   0.411% *  0.0596% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD1   ILE  119   9.00 +/- 0.61   0.021% *  0.1193% (0.30   0.02   1.94) =   0.000%
          QB    ALA   20 - QD1   ILE  119  13.11 +/- 0.32   0.002% *  0.2654% (0.66   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD1   ILE  119  18.50 +/- 0.60   0.000% *  0.3855% (0.96   0.02   0.02) =   0.000%
          QG1   VAL   24 - QD1   ILE  119  18.12 +/- 0.64   0.000% *  0.1588% (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 = 2.35, residual support = 12.6:
    * O T QB    ALA  120 - HA    ALA  120   2.14 +/- 0.01  99.893% * 96.2025% (0.95   2.35  12.58) = 100.000%  kept
          HG    LEU  115 - HA    ALA  120   9.53 +/- 0.37   0.013% *  0.8201% (0.95   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    ALA  120   7.24 +/- 0.54   0.072% *  0.1338% (0.15   0.02   2.59) =   0.000%
          HG    LEU   67 - HA    ALA  120  11.55 +/- 2.33   0.008% *  0.4561% (0.53   0.02   0.02) =   0.000%
          HB3   LEU  115 - HA    ALA  120  10.04 +/- 0.42   0.010% *  0.3564% (0.41   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    ALA  120  14.15 +/- 0.72   0.001% *  0.8650% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    ALA  120  13.64 +/- 0.60   0.002% *  0.3564% (0.41   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    ALA  120  15.01 +/- 0.66   0.001% *  0.1716% (0.20   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    ALA  120  20.36 +/- 0.93   0.000% *  0.4220% (0.49   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    ALA  120  22.64 +/- 0.53   0.000% *  0.2162% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1535 (3.95, 1.48, 18.41 ppm):
    10 chemical-shift based assignments, quality = 0.938, support = 2.43, residual support = 12.2:
    * O T HA    ALA  120 - QB    ALA  120   2.14 +/- 0.01  96.146% * 39.8099% (0.95   2.35  12.58) =  96.229%  kept
          HA    LYS+ 121 - QB    ALA  120   3.91 +/- 0.03   2.568% * 58.3273% (0.72   4.50   2.59) =   3.766%  kept
          QB    SER  117 - QB    ALA  120   4.41 +/- 0.17   1.283% *  0.1395% (0.39   0.02   5.97) =   0.005%
          HA    LYS+  65 - QB    ALA  120  13.69 +/- 0.49   0.001% *  0.2594% (0.72   0.02   0.02) =   0.000%
          HB    THR   94 - QB    ALA  120  15.72 +/- 0.23   0.001% *  0.2835% (0.79   0.02   0.02) =   0.000%
          HA2   GLY   16 - QB    ALA  120  17.45 +/- 0.48   0.000% *  0.2835% (0.79   0.02   0.02) =   0.000%
          HA2   GLY   51 - QB    ALA  120  20.32 +/- 0.41   0.000% *  0.2331% (0.65   0.02   0.02) =   0.000%
          QB    SER   48 - QB    ALA  120  22.22 +/- 0.31   0.000% *  0.3133% (0.87   0.02   0.02) =   0.000%
          QB    SER   85 - QB    ALA  120  22.09 +/- 0.42   0.000% *  0.2835% (0.79   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA  120  18.90 +/- 0.40   0.000% *  0.0672% (0.19   0.02   0.02) =   0.000%
    Distance limit 2.69 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 = 0.972, support = 8.21, residual support = 302.0:
    * O T HB2   LYS+ 121 - HA    LYS+ 121   2.89 +/- 0.05  53.050% * 95.3149% (1.00   8.32 306.29) =  97.050%  kept
        T QD    LYS+  65 - HA    LYS+  65   3.03 +/- 0.48  45.063% *  3.4077% (0.06   4.75 161.77) =   2.947%  kept
        T HB2   LEU  123 - HA    LYS+ 121   5.29 +/- 0.89   1.845% *  0.0707% (0.31   0.02   2.42) =   0.003%
        T QD    LYS+ 102 - HA    LYS+ 121  15.21 +/- 1.00   0.003% *  0.1206% (0.53   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HA    LYS+ 121  16.89 +/- 0.55   0.001% *  0.2287% (1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+ 121  19.42 +/- 0.73   0.001% *  0.2056% (0.90   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+ 121  16.94 +/- 0.33   0.001% *  0.0707% (0.31   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+ 121  17.02 +/- 0.52   0.001% *  0.0637% (0.28   0.02   0.02) =   0.000%
          QB    ALA   57 - HA    LYS+  65  10.90 +/- 0.26   0.018% *  0.0044% (0.02   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+ 121  20.50 +/- 0.67   0.000% *  0.1390% (0.61   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LYS+  65  13.35 +/- 1.01   0.006% *  0.0087% (0.04   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+ 121  20.16 +/- 0.29   0.000% *  0.0782% (0.34   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HA    LYS+  65  16.00 +/- 0.65   0.002% *  0.0144% (0.06   0.02   0.02) =   0.000%
        T HB2   LEU  123 - HA    LYS+  65  13.90 +/- 1.01   0.005% *  0.0044% (0.02   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+ 121  26.49 +/- 0.35   0.000% *  0.2247% (0.98   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    LYS+  65  20.36 +/- 0.65   0.000% *  0.0129% (0.06   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LYS+  65  18.97 +/- 0.51   0.001% *  0.0049% (0.02   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LYS+  65  23.83 +/- 0.37   0.000% *  0.0141% (0.06   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HA    LYS+  65  23.14 +/- 0.81   0.000% *  0.0076% (0.03   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HA    LYS+  65  24.07 +/- 0.75   0.000% *  0.0040% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1539 (1.15, 3.94, 58.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 7.27, residual support = 306.3:
    * O T HG2   LYS+ 121 - HA    LYS+ 121   2.33 +/- 0.44  99.865% * 99.1720% (1.00   7.27 306.29) = 100.000%  kept
          QG2   VAL  107 - HA    LYS+ 121  10.22 +/- 0.23   0.026% *  0.2518% (0.92   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+ 121   8.60 +/- 0.26   0.075% *  0.0842% (0.31   0.02   1.94) =   0.000%
          HG13  ILE  103 - HA    LYS+ 121  14.38 +/- 0.62   0.003% *  0.1328% (0.49   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+  65  12.05 +/- 0.60   0.009% *  0.0137% (0.05   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    LYS+  65  11.03 +/- 0.46   0.016% *  0.0053% (0.02   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    LYS+ 121  21.72 +/- 0.40   0.000% *  0.2184% (0.80   0.02   0.02) =   0.000%
          QG2   VAL  107 - HA    LYS+  65  14.53 +/- 0.23   0.003% *  0.0158% (0.06   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+ 121  23.09 +/- 0.58   0.000% *  0.0758% (0.28   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HA    LYS+  65  18.41 +/- 0.56   0.001% *  0.0171% (0.06   0.02   0.02) =   0.000%
          HG13  ILE  103 - HA    LYS+  65  20.40 +/- 0.59   0.000% *  0.0083% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    LYS+  65  20.35 +/- 0.68   0.000% *  0.0048% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.01 A, kept.
 
    Peak 1540 (0.80, 3.94, 58.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.69, residual support = 306.3:
    * O T HG3   LYS+ 121 - HA    LYS+ 121   3.11 +/- 0.47  98.674% * 99.4579% (1.00   6.69 306.29) =  99.998%  kept
          QD2   LEU  123 - HA    LYS+ 121   6.96 +/- 0.07   1.036% *  0.1447% (0.49   0.02   2.42) =   0.002%
          QD1   ILE   56 - HA    LYS+ 121  12.45 +/- 0.31   0.030% *  0.1803% (0.61   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+  65   9.94 +/- 0.71   0.127% *  0.0091% (0.03   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HA    LYS+ 121  16.28 +/- 0.86   0.006% *  0.1014% (0.34   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HA    LYS+  65  10.47 +/- 0.55   0.100% *  0.0064% (0.02   0.02   0.02) =   0.000%
          QD1   ILE   56 - HA    LYS+  65  13.40 +/- 0.21   0.020% *  0.0113% (0.04   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HA    LYS+  65  18.22 +/- 0.61   0.003% *  0.0187% (0.06   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 121  23.28 +/- 1.19   0.001% *  0.0662% (0.22   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+  65  19.42 +/- 1.18   0.003% *  0.0042% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 0.752, support = 7.34, residual support = 297.7:
    *   T HD2   LYS+ 121 - HA    LYS+ 121   3.26 +/- 0.81  24.161% * 70.5281% (1.00   7.13 306.29) =  66.176%  kept
      O T HB3   LYS+ 121 - HA    LYS+ 121   2.82 +/- 0.06  28.412% * 25.2901% (0.31   8.28 306.29) =  27.904%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.61 +/- 0.46  46.942% *  3.2470% (0.06   5.27 161.77) =   5.919%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.65 +/- 0.32   0.449% *  0.0099% (0.05   0.02  27.59) =   0.000%
        T QD    LYS+  66 - HA    LYS+ 121  11.84 +/- 0.97   0.006% *  0.1585% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  10.78 +/- 0.60   0.011% *  0.0611% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+ 121  12.36 +/- 0.49   0.004% *  0.0347% (0.18   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.89 +/- 0.55   0.000% *  0.1962% (0.99   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.72 +/- 0.44   0.002% *  0.0441% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.65 +/- 0.70   0.004% *  0.0095% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.34 +/- 0.82   0.000% *  0.1512% (0.76   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.66 +/- 0.51   0.000% *  0.1910% (0.97   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.22 +/- 0.43   0.001% *  0.0120% (0.06   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  21.01 +/- 0.70   0.000% *  0.0392% (0.20   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  13.59 +/- 0.86   0.003% *  0.0025% (0.01   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    LYS+  65  13.63 +/- 1.09   0.003% *  0.0022% (0.01   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  18.21 +/- 0.80   0.000% *  0.0124% (0.06   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.22 +/- 0.60   0.001% *  0.0038% (0.02   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  17.93 +/- 0.59   0.000% *  0.0038% (0.02   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.79 +/- 0.33   0.000% *  0.0028% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 0.988, support = 6.67, residual support = 287.7:
    *     QE    LYS+ 121 - HA    LYS+ 121   3.86 +/- 0.68  90.300% * 57.1090% (1.00   6.73 306.29) =  92.756%  kept
          HB3   HIS  122 - HA    LYS+ 121   5.94 +/- 0.13   9.445% * 42.6387% (0.84   6.01  50.01) =   7.243%  kept
          HB3   HIS  122 - HA    LYS+  65  11.38 +/- 1.00   0.217% *  0.0089% (0.05   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+ 121  25.37 +/- 0.50   0.002% *  0.1166% (0.69   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HA    LYS+  65  17.50 +/- 0.79   0.015% *  0.0107% (0.06   0.02   0.02) =   0.000%
          HG2   GLN   30 - HA    LYS+  65  17.00 +/- 0.71   0.017% *  0.0073% (0.04   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+ 121  28.37 +/- 0.71   0.001% *  0.0761% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+ 121  29.57 +/- 0.61   0.001% *  0.0262% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    LYS+  65  23.67 +/- 0.67   0.002% *  0.0048% (0.03   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    LYS+  65  24.28 +/- 0.56   0.002% *  0.0016% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.86 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 = 8.32, residual support = 306.3:
    * O T HA    LYS+ 121 - HB2   LYS+ 121   2.89 +/- 0.05  97.000% * 98.5849% (1.00   8.32 306.29) =  99.994%  kept
          QB    SER  117 - HB2   LYS+ 121   6.19 +/- 0.96   1.539% *  0.1980% (0.84   0.02   0.02) =   0.003%
          HA    ALA  120 - HB2   LYS+ 121   5.87 +/- 0.33   1.429% *  0.1812% (0.76   0.02   2.59) =   0.003%
          HA    PHE   60 - HB2   LYS+ 121  11.77 +/- 0.48   0.022% *  0.0659% (0.28   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LYS+ 121  15.56 +/- 0.29   0.004% *  0.2350% (0.99   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   LYS+ 121  16.00 +/- 0.65   0.004% *  0.0809% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LYS+ 121  19.34 +/- 0.92   0.001% *  0.0975% (0.41   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LYS+ 121  24.43 +/- 0.55   0.000% *  0.2350% (0.99   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LYS+ 121  25.03 +/- 0.39   0.000% *  0.2243% (0.95   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LYS+ 121  22.71 +/- 0.51   0.000% *  0.0975% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1544 (1.66, 1.66, 32.89 ppm):
    1 diagonal assignment:
    *     HB2   LYS+ 121 - HB2   LYS+ 121  (1.00)  kept
 
    Peak 1545 (1.15, 1.66, 32.89 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 7.79, residual support = 306.3:
    * O T HG2   LYS+ 121 - HB2   LYS+ 121   2.90 +/- 0.16  99.334% * 99.2870% (1.00   7.79 306.29) =  99.999%  kept
          QG2   VAL  107 - HB2   LYS+ 121   8.35 +/- 0.44   0.180% *  0.2353% (0.92   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   LYS+ 121   7.17 +/- 0.50   0.460% *  0.0787% (0.31   0.02   1.94) =   0.000%
          HG13  ILE  103 - HB2   LYS+ 121  11.97 +/- 0.66   0.024% *  0.1241% (0.49   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   LYS+ 121  19.91 +/- 0.48   0.001% *  0.2041% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   LYS+ 121  20.89 +/- 0.81   0.001% *  0.0709% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 7.22, residual support = 306.3:
    * O T HG3   LYS+ 121 - HB2   LYS+ 121   2.74 +/- 0.24  99.761% * 99.5430% (1.00   7.22 306.29) = 100.000%  kept
        T QD2   LEU  123 - HB2   LYS+ 121   7.86 +/- 0.16   0.201% *  0.1342% (0.49   0.02   2.42) =   0.000%
          QD1   ILE   56 - HB2   LYS+ 121  10.93 +/- 0.52   0.032% *  0.1673% (0.61   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HB2   LYS+ 121  14.49 +/- 1.00   0.005% *  0.0941% (0.34   0.02   0.02) =   0.000%
          HG    LEU   31 - HB2   LYS+ 121  20.94 +/- 1.34   0.001% *  0.0614% (0.22   0.02   0.02) =   0.000%
    Distance limit 5.06 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 = 0.52, support = 8.54, residual support = 306.3:
      O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  86.389% * 26.1696% (0.31   8.92 306.29) =  69.486%  kept
    * O T HD2   LYS+ 121 - HB2   LYS+ 121   2.77 +/- 0.68  13.602% * 72.9888% (1.00   7.68 306.29) =  30.514%  kept
          HG    LEU  104 - HB2   LYS+ 121   9.11 +/- 0.89   0.006% *  0.0587% (0.31   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HB2   LYS+ 121  11.87 +/- 1.07   0.001% *  0.1523% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB2   LYS+ 121  10.97 +/- 0.99   0.002% *  0.0333% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  12.88 +/- 0.79   0.001% *  0.0423% (0.22   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.82 +/- 0.67   0.000% *  0.1885% (0.99   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.05 +/- 0.82   0.000% *  0.1453% (0.76   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  20.72 +/- 0.56   0.000% *  0.1835% (0.97   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  18.68 +/- 0.72   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 = 0.981, support = 7.06, residual support = 277.1:
    *     QE    LYS+ 121 - HB2   LYS+ 121   3.68 +/- 0.26  84.775% * 58.1751% (1.00   7.18 306.29) =  88.617%  kept
          HB3   HIS  122 - HB2   LYS+ 121   5.16 +/- 0.62  15.223% * 41.6158% (0.84   6.15  50.01) =  11.383%  kept
          HG2   GLN   30 - HB2   LYS+ 121  23.20 +/- 0.71   0.001% *  0.1114% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 121  26.05 +/- 0.96   0.001% *  0.0727% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   LYS+ 121  26.98 +/- 0.65   0.001% *  0.0250% (0.15   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1549 (3.94, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.27, residual support = 306.3:
    * O T HA    LYS+ 121 - HG2   LYS+ 121   2.33 +/- 0.44  98.466% * 98.3847% (1.00   7.27 306.29) =  99.996%  kept
          QB    SER  117 - HG2   LYS+ 121   5.95 +/- 0.67   1.296% *  0.2260% (0.84   0.02   0.02) =   0.003%
          HA    ALA  120 - HG2   LYS+ 121   6.68 +/- 0.28   0.232% *  0.2068% (0.76   0.02   2.59) =   0.000%
          HB    THR   94 - HG2   LYS+ 121  17.31 +/- 0.73   0.001% *  0.2682% (0.99   0.02   0.02) =   0.000%
          HA    PHE   60 - HG2   LYS+ 121  14.34 +/- 0.44   0.003% *  0.0752% (0.28   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG2   LYS+ 121  18.41 +/- 0.56   0.001% *  0.0923% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG2   LYS+ 121  26.37 +/- 0.62   0.000% *  0.2682% (0.99   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG2   LYS+ 121  21.73 +/- 0.83   0.000% *  0.1112% (0.41   0.02   0.02) =   0.000%
          QB    SER   48 - HG2   LYS+ 121  26.94 +/- 0.69   0.000% *  0.2560% (0.95   0.02   0.02) =   0.000%
          QB    SER   85 - HG2   LYS+ 121  24.03 +/- 0.83   0.000% *  0.1112% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1550 (1.66, 1.15, 24.39 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.79, residual support = 306.3:
    * O T HB2   LYS+ 121 - HG2   LYS+ 121   2.90 +/- 0.16  99.550% * 98.6716% (1.00   7.79 306.29) = 100.000%  kept
          HB2   LEU  123 - HG2   LYS+ 121   7.49 +/- 0.94   0.429% *  0.0782% (0.31   0.02   2.42) =   0.000%
          QD    LYS+ 102 - HG2   LYS+ 121  14.03 +/- 1.02   0.011% *  0.1333% (0.53   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG2   LYS+ 121  18.30 +/- 0.54   0.002% *  0.2528% (1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG2   LYS+ 121  15.95 +/- 0.83   0.004% *  0.0704% (0.28   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG2   LYS+ 121  19.46 +/- 0.68   0.001% *  0.2272% (0.90   0.02   0.02) =   0.000%
          QB    ALA   57 - HG2   LYS+ 121  17.37 +/- 0.44   0.002% *  0.0782% (0.31   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG2   LYS+ 121  20.62 +/- 0.74   0.001% *  0.1536% (0.61   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG2   LYS+ 121  19.75 +/- 0.65   0.001% *  0.0864% (0.34   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   LYS+ 121  25.74 +/- 0.61   0.000% *  0.2483% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 306.3:
    * O T HG3   LYS+ 121 - HG2   LYS+ 121   1.75 +/- 0.00  99.992% * 99.4778% (1.00   6.31 306.29) = 100.000%  kept
          QD2   LEU  123 - HG2   LYS+ 121   8.75 +/- 0.28   0.007% *  0.1534% (0.49   0.02   2.42) =   0.000%
          QD1   ILE   56 - HG2   LYS+ 121  12.36 +/- 0.56   0.001% *  0.1911% (0.61   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HG2   LYS+ 121  16.53 +/- 1.03   0.000% *  0.1075% (0.34   0.02   0.02) =   0.000%
        T HG    LEU   31 - HG2   LYS+ 121  23.01 +/- 1.16   0.000% *  0.0702% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.78 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 = 0.83, support = 6.92, residual support = 306.3:
    * O T HD2   LYS+ 121 - HG2   LYS+ 121   2.61 +/- 0.24  52.526% * 72.7262% (1.00   6.64 306.29) =  75.374%  kept
      O T HB3   LYS+ 121 - HG2   LYS+ 121   2.66 +/- 0.26  47.446% * 26.3043% (0.31   7.78 306.29) =  24.626%  kept
          HG    LEU  104 - HG2   LYS+ 121  10.19 +/- 0.69   0.017% *  0.0676% (0.31   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HG2   LYS+ 121  13.57 +/- 1.00   0.003% *  0.1754% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG2   LYS+ 121  12.79 +/- 0.41   0.004% *  0.0384% (0.18   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG2   LYS+ 121  13.79 +/- 0.80   0.002% *  0.0488% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   LYS+ 121  19.30 +/- 0.57   0.000% *  0.2171% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG2   LYS+ 121  21.61 +/- 0.97   0.000% *  0.1674% (0.76   0.02   0.02) =   0.000%
          QG2   THR   26 - HG2   LYS+ 121  22.76 +/- 0.63   0.000% *  0.2114% (0.97   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG2   LYS+ 121  21.16 +/- 0.66   0.000% *  0.0434% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 306.3:
    * O   QE    LYS+ 121 - HG2   LYS+ 121   2.46 +/- 0.40  99.800% * 99.3314% (1.00   6.31 306.29) =  99.999%  kept
          HB3   HIS  122 - HG2   LYS+ 121   7.37 +/- 0.34   0.200% *  0.2628% (0.84   0.02  50.01) =   0.001%
          HG2   GLN   30 - HG2   LYS+ 121  25.58 +/- 0.65   0.000% *  0.2161% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG2   LYS+ 121  28.06 +/- 0.76   0.000% *  0.1411% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG2   LYS+ 121  29.10 +/- 0.97   0.000% *  0.0485% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1555 (3.94, 0.80, 24.39 ppm):
    20 chemical-shift based assignments, quality = 1.0, support = 6.69, residual support = 306.3:
    * O T HA    LYS+ 121 - HG3   LYS+ 121   3.11 +/- 0.47  97.121% * 97.5665% (1.00   6.69 306.29) =  99.994%  kept
          QB    SER  117 - HG3   LYS+ 121   6.62 +/- 0.50   1.549% *  0.2436% (0.84   0.02   0.02) =   0.004%
          HA    ALA  120 - HG3   LYS+ 121   7.50 +/- 0.29   0.574% *  0.2228% (0.76   0.02   2.59) =   0.001%
          HA2   GLY   16 - QD2   LEU   73   9.26 +/- 1.10   0.256% *  0.0409% (0.14   0.02   0.02) =   0.000%
          HA    PHE   60 - QD2   LEU   73   8.71 +/- 0.54   0.267% *  0.0276% (0.09   0.02   0.90) =   0.000%
          HB    THR   94 - QD2   LEU   73  11.43 +/- 1.19   0.058% *  0.0986% (0.34   0.02   0.02) =   0.000%
        T HA    LYS+  65 - QD2   LEU   73  10.47 +/- 0.55   0.098% *  0.0339% (0.12   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 121  16.58 +/- 0.64   0.006% *  0.2890% (0.99   0.02   0.02) =   0.000%
          HA    PHE   60 - HG3   LYS+ 121  14.00 +/- 0.57   0.017% *  0.0811% (0.28   0.02   0.02) =   0.000%
          QB    SER   48 - QD2   LEU   73  14.56 +/- 0.57   0.012% *  0.0941% (0.32   0.02   0.02) =   0.000%
          QB    SER   85 - QD2   LEU   73  13.80 +/- 0.83   0.016% *  0.0409% (0.14   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD2   LEU   73  16.28 +/- 0.86   0.006% *  0.0994% (0.34   0.02   0.02) =   0.000%
          QB    SER  117 - QD2   LEU   73  16.17 +/- 1.02   0.006% *  0.0831% (0.28   0.02   0.02) =   0.000%
          HA    ALA  120 - QD2   LEU   73  16.45 +/- 0.78   0.006% *  0.0760% (0.26   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD2   LEU   73  18.03 +/- 0.69   0.003% *  0.0986% (0.34   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 121  18.22 +/- 0.61   0.003% *  0.0995% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 121  21.27 +/- 0.89   0.001% *  0.1199% (0.41   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG3   LYS+ 121  26.28 +/- 0.52   0.000% *  0.2890% (0.99   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 121  26.47 +/- 0.59   0.000% *  0.2758% (0.95   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 121  23.14 +/- 0.75   0.001% *  0.1199% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.75 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 = 7.22, residual support = 306.3:
    * O T HB2   LYS+ 121 - HG3   LYS+ 121   2.74 +/- 0.24  99.241% * 97.9982% (1.00   7.22 306.29) =  99.999%  kept
          HD2   LYS+  74 - QD2   LEU   73   7.28 +/- 0.63   0.415% *  0.0562% (0.21   0.02  43.90) =   0.000%
        T HB2   LEU  123 - HG3   LYS+ 121   8.22 +/- 0.85   0.198% *  0.0838% (0.31   0.02   2.42) =   0.000%
          HB    VAL   83 - QD2   LEU   73  10.56 +/- 0.70   0.039% *  0.0908% (0.33   0.02   0.02) =   0.000%
          QD    LYS+  65 - QD2   LEU   73  11.00 +/- 1.03   0.028% *  0.0924% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HG3   LYS+ 121  12.90 +/- 1.02   0.011% *  0.1428% (0.53   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU   73  12.05 +/- 0.21   0.015% *  0.0830% (0.31   0.02   0.02) =   0.000%
          QB    ALA   57 - QD2   LEU   73  11.27 +/- 0.38   0.024% *  0.0286% (0.11   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - QD2   LEU   73  14.49 +/- 1.00   0.005% *  0.0926% (0.34   0.02   0.02) =   0.000%
          QD    LYS+  65 - HG3   LYS+ 121  18.24 +/- 0.51   0.001% *  0.2709% (1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU   73  14.18 +/- 0.99   0.007% *  0.0487% (0.18   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG3   LYS+ 121  18.42 +/- 0.57   0.001% *  0.2435% (0.90   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HG3   LYS+ 121  16.17 +/- 0.64   0.003% *  0.0755% (0.28   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU   73  14.51 +/- 1.05   0.006% *  0.0316% (0.12   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   LYS+ 121  17.32 +/- 0.39   0.002% *  0.0838% (0.31   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG3   LYS+ 121  19.99 +/- 0.82   0.001% *  0.1647% (0.61   0.02   0.02) =   0.000%
          HG3   PRO   93 - HG3   LYS+ 121  19.51 +/- 0.59   0.001% *  0.0926% (0.34   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD2   LEU   73  16.62 +/- 0.85   0.002% *  0.0286% (0.11   0.02   0.02) =   0.000%
          HB    VAL   83 - HG3   LYS+ 121  24.67 +/- 0.72   0.000% *  0.2661% (0.98   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU   73  19.98 +/- 1.33   0.001% *  0.0257% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 306.3:
    * O T HG2   LYS+ 121 - HG3   LYS+ 121   1.75 +/- 0.00  99.921% * 98.7203% (1.00   6.31 306.29) = 100.000%  kept
          QB    ALA   20 - QD2   LEU   73   6.70 +/- 0.59   0.037% *  0.0854% (0.27   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG3   LYS+ 121   9.43 +/- 0.51   0.004% *  0.2887% (0.92   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QD2   LEU   73   6.94 +/- 0.41   0.028% *  0.0296% (0.09   0.02   3.24) =   0.000%
          HG13  ILE  119 - HG3   LYS+ 121   9.49 +/- 0.44   0.004% *  0.0965% (0.31   0.02   1.94) =   0.000%
          HG13  ILE  103 - HG3   LYS+ 121  11.87 +/- 0.99   0.001% *  0.1522% (0.49   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD2   LEU   73  11.49 +/- 0.94   0.002% *  0.0984% (0.31   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD2   LEU   73  10.96 +/- 1.35   0.003% *  0.0519% (0.17   0.02   0.02) =   0.000%
          HG13  ILE  119 - QD2   LEU   73  12.39 +/- 0.93   0.001% *  0.0329% (0.11   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - QD2   LEU   73  16.53 +/- 1.03   0.000% *  0.1066% (0.34   0.02   0.02) =   0.000%
          QB    ALA   20 - HG3   LYS+ 121  21.54 +/- 0.54   0.000% *  0.2504% (0.80   0.02   0.02) =   0.000%
        T HB3   LEU   31 - HG3   LYS+ 121  21.53 +/- 0.79   0.000% *  0.0869% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.666, support = 6.64, residual support = 306.3:
    * O T HD2   LYS+ 121 - HG3   LYS+ 121   2.90 +/- 0.21  27.094% * 72.7468% (1.00   6.20 306.29) =  51.624%  kept
      O T HB3   LYS+ 121 - HG3   LYS+ 121   2.44 +/- 0.18  71.711% * 25.7548% (0.31   7.11 306.29) =  48.373%  kept
          QG2   THR   26 - QD2   LEU   73   5.50 +/- 0.65   0.681% *  0.0773% (0.33   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QD2   LEU   73   6.14 +/- 0.47   0.336% *  0.0612% (0.26   0.02  43.90) =   0.001%
          HG    LEU  104 - HG3   LYS+ 121   8.85 +/- 0.66   0.036% *  0.0725% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  65 - QD2   LEU   73  10.72 +/- 0.79   0.011% *  0.0794% (0.34   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - QD2   LEU   73   8.34 +/- 0.40   0.051% *  0.0158% (0.07   0.02  43.90) =   0.000%
          HB3   LEU   40 - QD2   LEU   73   8.53 +/- 0.85   0.050% *  0.0140% (0.06   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HG3   LYS+ 121  13.79 +/- 1.07   0.003% *  0.1880% (0.80   0.02   0.02) =   0.000%
          HG    LEU  104 - QD2   LEU   73  11.16 +/- 1.11   0.011% *  0.0247% (0.11   0.02   0.02) =   0.000%
          HB3   LEU   40 - HG3   LYS+ 121  11.74 +/- 0.39   0.006% *  0.0411% (0.18   0.02   0.02) =   0.000%
        T QD    LYS+  66 - QD2   LEU   73  12.69 +/- 0.35   0.004% *  0.0641% (0.27   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+ 121  13.86 +/- 0.60   0.002% *  0.0523% (0.22   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - QD2   LEU   73  16.03 +/- 1.36   0.001% *  0.0801% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG3   LYS+ 121  19.13 +/- 0.62   0.000% *  0.2328% (0.99   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - QD2   LEU   73  14.68 +/- 1.09   0.002% *  0.0247% (0.11   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HG3   LYS+ 121  20.92 +/- 0.78   0.000% *  0.1795% (0.76   0.02   0.02) =   0.000%
          QG2   THR   26 - HG3   LYS+ 121  21.95 +/- 0.58   0.000% *  0.2266% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QD2   LEU   73  17.08 +/- 1.14   0.001% *  0.0178% (0.08   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HG3   LYS+ 121  20.61 +/- 1.01   0.000% *  0.0465% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 306.3:
    * O   QE    LYS+ 121 - HG3   LYS+ 121   2.61 +/- 0.49  94.580% * 98.9477% (1.00   6.00 306.29) =  99.995%  kept
          HG2   GLN   30 - QD2   LEU   73   4.86 +/- 0.82   4.970% *  0.0773% (0.23   0.02   5.22) =   0.004%
          HB3   HIS  122 - HG3   LYS+ 121   7.15 +/- 0.50   0.367% *  0.2755% (0.84   0.02  50.01) =   0.001%
          HB3   ASN   28 - QD2   LEU   73   9.45 +/- 0.51   0.059% *  0.0504% (0.15   0.02   0.02) =   0.000%
          HB3   HIS  122 - QD2   LEU   73  12.22 +/- 0.77   0.014% *  0.0939% (0.28   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD2   LEU   73  14.84 +/- 1.25   0.005% *  0.1125% (0.34   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD2   LEU   73  14.72 +/- 0.58   0.005% *  0.0174% (0.05   0.02   0.02) =   0.000%
          HG2   GLN   30 - HG3   LYS+ 121  24.56 +/- 0.63   0.000% *  0.2266% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HG3   LYS+ 121  26.83 +/- 0.97   0.000% *  0.1479% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HG3   LYS+ 121  28.44 +/- 0.90   0.000% *  0.0509% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 7.12, residual support = 306.1:
    *   T HA    LYS+ 121 - HD2   LYS+ 121   3.26 +/- 0.81  77.944% * 97.8252% (1.00   7.13 306.29) =  99.953%  kept
          QB    SER  117 - HD2   LYS+ 121   6.36 +/- 1.92  14.230% *  0.2293% (0.84   0.02   0.02) =   0.043%
        T HA    ALA  120 - HD2   LYS+ 121   7.24 +/- 0.54   0.872% *  0.2098% (0.76   0.02   2.59) =   0.002%
        T HA    LYS+  65 - QD    LYS+  66   5.65 +/- 0.32   4.795% *  0.0116% (0.04   0.02  27.59) =   0.001%
          HA    ALA  120 - QD    LYS+  66   8.66 +/- 0.98   0.436% *  0.0261% (0.10   0.02   0.02) =   0.000%
          HB    THR   94 - HD3   LYS+  74   9.94 +/- 1.01   0.193% *  0.0424% (0.15   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+  74   8.04 +/- 0.59   0.679% *  0.0119% (0.04   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+  74  10.25 +/- 0.76   0.168% *  0.0405% (0.15   0.02   0.02) =   0.000%
          HB    THR   94 - HD2   LYS+ 121  16.94 +/- 1.56   0.010% *  0.2721% (0.99   0.02   0.02) =   0.000%
          HA    PHE   60 - QD    LYS+  66   9.25 +/- 0.70   0.274% *  0.0095% (0.03   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+  74  11.86 +/- 0.52   0.055% *  0.0424% (0.15   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - QD    LYS+  66  11.84 +/- 0.97   0.068% *  0.0341% (0.12   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    LYS+  66  10.08 +/- 0.42   0.144% *  0.0140% (0.05   0.02   0.02) =   0.000%
          HA    PHE   60 - HD2   LYS+ 121  14.09 +/- 1.06   0.026% *  0.0763% (0.28   0.02   0.02) =   0.000%
          QB    SER  117 - QD    LYS+  66  13.08 +/- 0.78   0.032% *  0.0285% (0.10   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD2   LYS+ 121  18.21 +/- 0.80   0.005% *  0.0936% (0.34   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+  74  13.59 +/- 0.86   0.025% *  0.0146% (0.05   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+  74  15.26 +/- 1.06   0.014% *  0.0176% (0.06   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+  74  15.35 +/- 0.77   0.011% *  0.0176% (0.06   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD2   LYS+ 121  21.37 +/- 1.31   0.002% *  0.1128% (0.41   0.02   0.02) =   0.000%
          QB    SER  117 - HD3   LYS+  74  17.75 +/- 0.66   0.005% *  0.0358% (0.13   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD2   LYS+ 121  26.23 +/- 1.61   0.001% *  0.2721% (0.99   0.02   0.02) =   0.000%
          QB    SER   48 - HD2   LYS+ 121  26.63 +/- 1.30   0.001% *  0.2597% (0.95   0.02   0.02) =   0.000%
          QB    SER   85 - HD2   LYS+ 121  23.59 +/- 1.28   0.001% *  0.1128% (0.41   0.02   0.02) =   0.000%
          HB    THR   94 - QD    LYS+  66  19.01 +/- 0.73   0.003% *  0.0338% (0.12   0.02   0.02) =   0.000%
          HA    ALA  120 - HD3   LYS+  74  19.79 +/- 0.75   0.003% *  0.0327% (0.12   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HD3   LYS+  74  21.01 +/- 0.70   0.002% *  0.0428% (0.16   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    LYS+  66  20.85 +/- 0.70   0.002% *  0.0338% (0.12   0.02   0.02) =   0.000%
          QB    SER   48 - QD    LYS+  66  22.31 +/- 0.56   0.001% *  0.0323% (0.12   0.02   0.02) =   0.000%
          QB    SER   85 - QD    LYS+  66  25.09 +/- 0.75   0.001% *  0.0140% (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 = 0.813, support = 6.78, residual support = 278.1:
    * O T HB2   LYS+ 121 - HD2   LYS+ 121   2.77 +/- 0.68  13.595% * 94.4209% (1.00   7.68 306.29) =  79.318%  kept
      O   HD2   LYS+  74 - HD3   LYS+  74   1.75 +/- 0.00  86.229% *  3.8816% (0.09   3.34 170.13) =  20.682%  kept
        T QD    LYS+  65 - QD    LYS+  66   5.61 +/- 0.60   0.099% *  0.0305% (0.12   0.02  27.59) =   0.000%
          HB2   LEU  123 - HD2   LYS+ 121   7.98 +/- 1.11   0.015% *  0.0759% (0.31   0.02   2.42) =   0.000%
          QB    ALA   57 - HD3   LYS+  74   6.58 +/- 0.64   0.037% *  0.0118% (0.05   0.02   0.02) =   0.000%
          HB2   LEU  123 - QD    LYS+  66   8.06 +/- 1.17   0.016% *  0.0094% (0.04   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD2   LYS+ 121  13.59 +/- 1.57   0.001% *  0.1294% (0.53   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+  74   9.24 +/- 0.90   0.005% *  0.0131% (0.05   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - QD    LYS+  66  11.87 +/- 1.07   0.001% *  0.0306% (0.12   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD3   LYS+  74  12.53 +/- 1.27   0.001% *  0.0383% (0.16   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+  74  13.24 +/- 0.92   0.001% *  0.0376% (0.15   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD2   LYS+ 121  18.15 +/- 0.64   0.000% *  0.2455% (1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   LYS+ 121  18.92 +/- 1.67   0.000% *  0.2206% (0.90   0.02   0.02) =   0.000%
          QB    ALA   57 - QD    LYS+  66  11.06 +/- 0.61   0.001% *  0.0094% (0.04   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD2   LYS+ 121  16.09 +/- 2.06   0.000% *  0.0684% (0.28   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   LYS+ 121  17.26 +/- 1.06   0.000% *  0.0759% (0.31   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HD2   LYS+ 121  20.23 +/- 1.36   0.000% *  0.1492% (0.61   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD    LYS+  66  15.43 +/- 1.24   0.000% *  0.0186% (0.08   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   LYS+ 121  19.57 +/- 1.60   0.000% *  0.0839% (0.34   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   LYS+ 121  25.17 +/- 1.25   0.000% *  0.2412% (0.98   0.02   0.02) =   0.000%
        T HB2   LYS+ 121 - HD3   LYS+  74  18.68 +/- 0.72   0.000% *  0.0384% (0.16   0.02   0.02) =   0.000%
        T QD    LYS+  38 - QD    LYS+  66  19.59 +/- 0.45   0.000% *  0.0274% (0.11   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD    LYS+  66  17.99 +/- 0.95   0.000% *  0.0104% (0.04   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+  74  18.58 +/- 1.12   0.000% *  0.0107% (0.04   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD3   LYS+  74  22.80 +/- 0.32   0.000% *  0.0344% (0.14   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - QD    LYS+  66  20.74 +/- 0.90   0.000% *  0.0161% (0.07   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HD3   LYS+  74  22.06 +/- 0.63   0.000% *  0.0202% (0.08   0.02   0.02) =   0.000%
          HB2   LEU  123 - HD3   LYS+  74  20.85 +/- 0.92   0.000% *  0.0118% (0.05   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - QD    LYS+  66  20.09 +/- 0.88   0.000% *  0.0085% (0.03   0.02   0.02) =   0.000%
          HB    VAL   83 - QD    LYS+  66  24.68 +/- 0.73   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 = 6.64, residual support = 306.3:
    * O T HG2   LYS+ 121 - HD2   LYS+ 121   2.61 +/- 0.24  98.668% * 98.8500% (1.00   6.64 306.29) =  99.999%  kept
          QB    ALA   20 - HD3   LYS+  74   6.04 +/- 0.66   0.922% *  0.0372% (0.12   0.02   8.28) =   0.000%
          QG2   VAL  107 - HD2   LYS+ 121   9.48 +/- 1.44   0.089% *  0.2749% (0.92   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD2   LYS+ 121   9.48 +/- 0.91   0.065% *  0.0919% (0.31   0.02   1.94) =   0.000%
          HG13  ILE  119 - QD    LYS+  66   8.16 +/- 0.85   0.188% *  0.0114% (0.04   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   LYS+ 121  12.62 +/- 1.04   0.011% *  0.1449% (0.49   0.02   0.02) =   0.000%
          QG2   VAL  107 - HD3   LYS+  74  10.64 +/- 0.64   0.025% *  0.0429% (0.14   0.02   0.02) =   0.000%
          QG2   VAL  107 - QD    LYS+  66  12.48 +/- 0.68   0.010% *  0.0342% (0.11   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - QD    LYS+  66  13.57 +/- 1.00   0.006% *  0.0370% (0.12   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    LYS+  66  14.88 +/- 0.52   0.003% *  0.0297% (0.10   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+  74  13.46 +/- 0.82   0.006% *  0.0143% (0.05   0.02   0.02) =   0.000%
          QB    ALA   20 - HD2   LYS+ 121  21.70 +/- 0.88   0.000% *  0.2384% (0.80   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD3   LYS+  74  16.42 +/- 0.78   0.002% *  0.0226% (0.08   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD2   LYS+ 121  22.12 +/- 1.32   0.000% *  0.0828% (0.28   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+  74  16.49 +/- 0.47   0.002% *  0.0129% (0.04   0.02   0.02) =   0.000%
        T HG2   LYS+ 121 - HD3   LYS+  74  21.16 +/- 0.66   0.000% *  0.0464% (0.16   0.02   0.02) =   0.000%
          HG13  ILE  103 - QD    LYS+  66  18.98 +/- 0.82   0.001% *  0.0180% (0.06   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    LYS+  66  21.53 +/- 0.47   0.000% *  0.0103% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 6.2, residual support = 306.3:
    * O T HG3   LYS+ 121 - HD2   LYS+ 121   2.90 +/- 0.21  92.086% * 99.2306% (1.00   6.20 306.29) =  99.998%  kept
          QD2   LEU  123 - QD    LYS+  66   4.78 +/- 0.76   7.450% *  0.0194% (0.06   0.02   0.02) =   0.002%
          QD2   LEU  123 - HD2   LYS+ 121   9.03 +/- 0.56   0.119% *  0.1559% (0.49   0.02   2.42) =   0.000%
          QD1   ILE   56 - HD2   LYS+ 121  12.35 +/- 1.38   0.022% *  0.1943% (0.61   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HD3   LYS+  74   8.34 +/- 0.40   0.184% *  0.0170% (0.05   0.02  43.90) =   0.000%
          QD1   ILE   56 - HD3   LYS+  74   9.75 +/- 0.61   0.073% *  0.0303% (0.09   0.02   0.02) =   0.000%
          QD1   ILE   56 - QD    LYS+  66  11.48 +/- 0.70   0.027% *  0.0242% (0.08   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HD2   LYS+ 121  16.03 +/- 1.36   0.004% *  0.1093% (0.34   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QD    LYS+  66  13.79 +/- 1.07   0.009% *  0.0398% (0.12   0.02   0.02) =   0.000%
        T QD2   LEU   73 - QD    LYS+  66  12.69 +/- 0.35   0.014% *  0.0136% (0.04   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+  74  14.25 +/- 0.55   0.007% *  0.0111% (0.03   0.02   0.02) =   0.000%
          QD2   LEU  123 - HD3   LYS+  74  16.93 +/- 0.86   0.003% *  0.0243% (0.08   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - HD3   LYS+  74  20.61 +/- 1.01   0.001% *  0.0500% (0.16   0.02   0.02) =   0.000%
          HG    LEU   31 - HD2   LYS+ 121  22.36 +/- 1.40   0.001% *  0.0713% (0.22   0.02   0.02) =   0.000%
          HG    LEU   31 - QD    LYS+  66  21.00 +/- 1.06   0.001% *  0.0089% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 6.14, residual support = 306.3:
    * O   QE    LYS+ 121 - HD2   LYS+ 121   2.37 +/- 0.15  99.691% * 99.0312% (1.00   6.14 306.29) = 100.000%  kept
          HB3   HIS  122 - HD2   LYS+ 121   7.34 +/- 0.83   0.160% *  0.2697% (0.84   0.02  50.01) =   0.000%
          HB3   HIS  122 - QD    LYS+  66   7.99 +/- 1.30   0.126% *  0.0335% (0.10   0.02   0.02) =   0.000%
          QE    LYS+ 121 - QD    LYS+  66  13.34 +/- 1.06   0.004% *  0.0401% (0.12   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD3   LYS+  74  13.04 +/- 0.63   0.004% *  0.0346% (0.11   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+  74  10.86 +/- 0.92   0.012% *  0.0078% (0.02   0.02   0.02) =   0.000%
          HB3   HIS  122 - HD3   LYS+  74  16.75 +/- 0.79   0.001% *  0.0421% (0.13   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HD3   LYS+  74  19.39 +/- 0.69   0.000% *  0.0504% (0.16   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HD2   LYS+ 121  24.95 +/- 1.23   0.000% *  0.2218% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+  74  17.87 +/- 0.53   0.001% *  0.0226% (0.07   0.02   0.02) =   0.000%
        T HG2   GLN   30 - QD    LYS+  66  19.85 +/- 0.48   0.000% *  0.0276% (0.09   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD2   LYS+ 121  27.38 +/- 1.26   0.000% *  0.1447% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   LYS+ 121  28.69 +/- 1.42   0.000% *  0.0498% (0.15   0.02   0.02) =   0.000%
          HB3   ASN   28 - QD    LYS+  66  25.18 +/- 0.56   0.000% *  0.0180% (0.06   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QD    LYS+  66  24.99 +/- 0.81   0.000% *  0.0062% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1567 (4.88, 4.88, 56.57 ppm):
    1 diagonal assignment:
    *     HA    HIS  122 - HA    HIS  122  (1.00)  kept
 
    Peak 1568 (3.45, 4.88, 56.57 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 2.76, residual support = 67.4:
    * O T HB2   HIS  122 - HA    HIS  122   2.43 +/- 0.05  99.998% * 98.7181% (1.00   2.76  67.44) = 100.000%  kept
          HA    LYS+ 112 - HA    HIS  122  15.09 +/- 0.30   0.002% *  0.6409% (0.90   0.02   0.02) =   0.000%
          HB    THR   46 - HA    HIS  122  20.28 +/- 0.48   0.000% *  0.6409% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 3.64, residual support = 67.4:
    * O T HB3   HIS  122 - HA    HIS  122   2.87 +/- 0.26  98.793% * 99.0418% (1.00   3.64  67.44) =  99.994%  kept
          QE    LYS+ 121 - HA    HIS  122   6.49 +/- 0.84   1.206% *  0.4541% (0.84   0.02  50.01) =   0.006%
          HG2   GLN   30 - HA    HIS  122  21.86 +/- 0.56   0.001% *  0.1854% (0.34   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HA    HIS  122  28.42 +/- 0.49   0.000% *  0.2235% (0.41   0.02   0.02) =   0.000%
          HB3   ASN   28 - HA    HIS  122  25.34 +/- 0.75   0.000% *  0.0952% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1570 (4.88, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.76, residual support = 67.4:
    * O T HA    HIS  122 - HB2   HIS  122   2.43 +/- 0.05  99.984% * 99.0680% (1.00   2.76  67.44) = 100.000%  kept
          HA    VAL   41 - HB2   HIS  122  10.62 +/- 0.62   0.015% *  0.5743% (0.80   0.02   0.02) =   0.000%
          HA    PHE   45 - HB2   HIS  122  17.90 +/- 0.46   0.001% *  0.1788% (0.25   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   HIS  122  22.04 +/- 0.35   0.000% *  0.1788% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1571 (3.45, 3.45, 31.73 ppm):
    1 diagonal assignment:
    *     HB2   HIS  122 - HB2   HIS  122  (1.00)  kept
 
    Peak 1572 (2.76, 3.45, 31.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 67.4:
    * O T HB3   HIS  122 - HB2   HIS  122   1.75 +/- 0.00  99.989% * 99.0089% (1.00   3.52  67.44) = 100.000%  kept
          QE    LYS+ 121 - HB2   HIS  122   8.19 +/- 0.69   0.011% *  0.4696% (0.84   0.02  50.01) =   0.000%
          HG2   GLN   30 - HB2   HIS  122  20.01 +/- 0.61   0.000% *  0.1918% (0.34   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB2   HIS  122  26.89 +/- 0.53   0.000% *  0.2312% (0.41   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   HIS  122  23.99 +/- 0.84   0.000% *  0.0985% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.67 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 = 3.64, residual support = 67.4:
    * O T HA    HIS  122 - HB3   HIS  122   2.87 +/- 0.26  99.969% * 99.2918% (1.00   3.64  67.44) = 100.000%  kept
          HA    VAL   41 - HB3   HIS  122  11.33 +/- 0.80   0.028% *  0.4364% (0.80   0.02   0.02) =   0.000%
          HA    PHE   45 - HB3   HIS  122  17.41 +/- 0.43   0.002% *  0.1359% (0.25   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   HIS  122  21.04 +/- 0.28   0.001% *  0.1359% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1574 (3.45, 2.76, 31.73 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 3.52, residual support = 67.4:
    * O T HB2   HIS  122 - HB3   HIS  122   1.75 +/- 0.00  99.999% * 98.9917% (1.00   3.52  67.44) = 100.000%  kept
          HA    LYS+ 112 - HB3   HIS  122  13.18 +/- 0.55   0.001% *  0.5042% (0.90   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   HIS  122  17.94 +/- 0.53   0.000% *  0.5042% (0.90   0.02   0.02) =   0.000%
    Distance limit 2.67 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 = 193.9:
    * O T HB2   LEU  123 - HA    LEU  123   2.91 +/- 0.25  99.584% * 97.7989% (1.00   6.00 193.86) = 100.000%  kept
          HB2   LYS+ 121 - HA    LEU  123   7.65 +/- 0.30   0.345% *  0.1006% (0.31   0.02   2.42) =   0.000%
        T QD    LYS+  99 - HA    LEU  123  10.88 +/- 0.86   0.044% *  0.1340% (0.41   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    LEU  123  12.75 +/- 0.59   0.016% *  0.1112% (0.34   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HA    LEU  123  15.94 +/- 1.01   0.005% *  0.1462% (0.45   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    LEU  123  18.65 +/- 0.98   0.002% *  0.3009% (0.92   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    LEU  123  20.23 +/- 0.91   0.001% *  0.2924% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    LEU  123  19.39 +/- 1.06   0.001% *  0.1846% (0.57   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    LEU  123  19.85 +/- 0.75   0.001% *  0.2109% (0.65   0.02   0.02) =   0.000%
          HG3   PRO   93 - HA    LEU  123  21.64 +/- 0.47   0.001% *  0.3253% (1.00   0.02   0.02) =   0.000%
          HB3   MET   92 - HA    LEU  123  23.50 +/- 0.55   0.000% *  0.2610% (0.80   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    LEU  123  28.03 +/- 0.67   0.000% *  0.1340% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 5.88, residual support = 193.9:
    * O T HB3   LEU  123 - HA    LEU  123   2.58 +/- 0.13  99.997% * 98.8146% (1.00   5.88 193.86) = 100.000%  kept
          QB    ALA   57 - HA    LEU  123  16.02 +/- 0.43   0.002% *  0.2914% (0.87   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    LEU  123  20.32 +/- 1.69   0.001% *  0.3360% (1.00   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    LEU  123  20.90 +/- 0.48   0.000% *  0.3013% (0.90   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HA    LEU  123  20.07 +/- 0.65   0.000% *  0.1902% (0.57   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HA    LEU  123  24.44 +/- 0.98   0.000% *  0.0665% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1579 (1.85, 4.38, 55.67 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.42, residual support = 193.8:
    * O T HG    LEU  123 - HA    LEU  123   3.59 +/- 0.51  89.869% * 96.0301% (0.69   5.42 193.86) =  99.980%  kept
          HG3   PRO   68 - HA    LEU  123   9.21 +/- 2.53   2.286% *  0.4763% (0.92   0.02   0.02) =   0.013%
          QB    LYS+  66 - HA    LEU  123   5.68 +/- 0.45   7.687% *  0.0796% (0.15   0.02   0.02) =   0.007%
          HB3   ASP- 105 - HA    LEU  123  11.34 +/- 0.46   0.110% *  0.4310% (0.84   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HA    LEU  123  15.58 +/- 0.39   0.016% *  0.2715% (0.53   0.02   0.02) =   0.000%
          HB    ILE  103 - HA    LEU  123  18.75 +/- 0.69   0.005% *  0.4628% (0.90   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    LEU  123  17.27 +/- 0.77   0.009% *  0.1435% (0.28   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU  123  18.57 +/- 0.95   0.006% *  0.2121% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    LEU  123  20.64 +/- 0.86   0.003% *  0.3747% (0.73   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    LEU  123  23.94 +/- 1.00   0.001% *  0.4476% (0.87   0.02   0.02) =   0.000%
        T HB    ILE   56 - HA    LEU  123  18.49 +/- 0.44   0.006% *  0.0904% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU  123  24.16 +/- 0.60   0.001% *  0.3545% (0.69   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    LEU  123  28.79 +/- 0.89   0.000% *  0.3338% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    LEU  123  29.00 +/- 0.55   0.000% *  0.2921% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.52 A violated in 2 structures by 0.21 A, kept.
 
    Peak 1580 (0.86, 4.38, 55.67 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 6.05, residual support = 193.9:
    *   T QD1   LEU  123 - HA    LEU  123   2.22 +/- 0.58  99.756% * 98.7151% (1.00   6.05 193.86) =  99.999%  kept
          QG1   VAL   70 - HA    LEU  123   7.86 +/- 0.77   0.170% *  0.3015% (0.92   0.02   0.02) =   0.001%
          HB3   LEU   63 - HA    LEU  123   9.51 +/- 0.74   0.054% *  0.1114% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    LEU  123  11.65 +/- 0.68   0.015% *  0.2728% (0.84   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    LEU  123  15.72 +/- 0.82   0.002% *  0.3266% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    LEU  123  15.38 +/- 0.81   0.003% *  0.2728% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 4 structures by 0.10 A, kept.
 
    Peak 1581 (0.82, 4.38, 55.67 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.76, residual support = 193.9:
    *   T QD2   LEU  123 - HA    LEU  123   2.90 +/- 0.10  99.861% * 99.7129% (1.00   4.76 193.86) = 100.000%  kept
          HG3   LYS+ 121 - HA    LEU  123   9.11 +/- 0.38   0.113% *  0.2041% (0.49   0.02   2.42) =   0.000%
          HB3   LEU  104 - HA    LEU  123  11.65 +/- 0.68   0.026% *  0.0830% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 1 structures by 0.06 A, kept.
 
    Peak 1582 (4.38, 1.68, 43.16 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 6.0, residual support = 193.9:
    * O T HA    LEU  123 - HB2   LEU  123   2.91 +/- 0.25  99.967% * 98.3857% (1.00   6.00 193.86) = 100.000%  kept
          HA    ASP- 113 - HB2   LEU  123  13.25 +/- 0.63   0.013% *  0.1725% (0.53   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   LEU  123  15.43 +/- 0.44   0.005% *  0.3215% (0.98   0.02   0.02) =   0.000%
        T HA    LYS+  99 - HB2   LEU  123  16.92 +/- 0.87   0.003% *  0.2845% (0.87   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   LEU  123  14.72 +/- 0.82   0.006% *  0.1231% (0.38   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   LEU  123  15.92 +/- 0.94   0.004% *  0.1725% (0.53   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   LEU  123  23.62 +/- 1.01   0.000% *  0.3165% (0.97   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   LEU  123  21.01 +/- 1.13   0.001% *  0.1119% (0.34   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   LEU  123  26.98 +/- 1.61   0.000% *  0.1119% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 5.32, residual support = 193.9:
    * O T HG    LEU  123 - HB2   LEU  123   2.32 +/- 0.20  99.534% * 95.9605% (0.69   5.32 193.86) = 100.000%  kept
          QB    LYS+  66 - HB2   LEU  123   7.00 +/- 0.96   0.438% *  0.0810% (0.15   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   LEU  123  11.75 +/- 2.44   0.014% *  0.4847% (0.92   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB2   LEU  123  11.10 +/- 0.62   0.010% *  0.4386% (0.84   0.02   0.02) =   0.000%
        T QB    LYS+ 106 - HB2   LEU  123  15.01 +/- 0.51   0.002% *  0.2762% (0.53   0.02   0.02) =   0.000%
          HB    ILE  103 - HB2   LEU  123  18.88 +/- 0.82   0.000% *  0.4709% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   LEU  123  18.95 +/- 1.02   0.000% *  0.2159% (0.41   0.02   0.02) =   0.000%
        T HB    VAL   41 - HB2   LEU  123  18.68 +/- 0.82   0.000% *  0.1460% (0.28   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   LEU  123  22.43 +/- 0.93   0.000% *  0.3813% (0.73   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   LEU  123  23.15 +/- 1.01   0.000% *  0.4555% (0.87   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   LEU  123  17.52 +/- 0.43   0.001% *  0.0920% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   LEU  123  23.00 +/- 0.74   0.000% *  0.3607% (0.69   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   LEU  123  28.26 +/- 0.93   0.000% *  0.3397% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   LEU  123  29.04 +/- 0.66   0.000% *  0.2973% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1586 (0.86, 1.68, 43.16 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 193.9:
    * O T QD1   LEU  123 - HB2   LEU  123   2.86 +/- 0.20  99.816% * 98.6938% (1.00   5.95 193.86) = 100.000%  kept
          QG1   VAL   70 - HB2   LEU  123   9.67 +/- 0.83   0.092% *  0.3065% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB2   LEU  123  10.33 +/- 0.95   0.067% *  0.1132% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB2   LEU  123  12.07 +/- 0.81   0.019% *  0.2773% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB2   LEU  123  16.14 +/- 0.95   0.004% *  0.2773% (0.84   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB2   LEU  123  17.34 +/- 0.97   0.002% *  0.3320% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1587 (0.82, 1.68, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 193.9:
    * O T QD2   LEU  123 - HB2   LEU  123   2.89 +/- 0.28  99.703% * 99.7125% (1.00   4.75 193.86) =  99.999%  kept
        T HG3   LYS+ 121 - HB2   LEU  123   8.22 +/- 0.85   0.273% *  0.2044% (0.49   0.02   2.42) =   0.001%
          HB3   LEU  104 - HB2   LEU  123  12.07 +/- 0.81   0.024% *  0.0831% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 5.42, residual support = 193.9:
    * O T HA    LEU  123 - HG    LEU  123   3.59 +/- 0.51  99.791% * 98.2155% (0.69   5.42 193.86) = 100.000%  kept
          HA    ASP- 113 - HG    LEU  123  12.42 +/- 0.89   0.080% *  0.1907% (0.36   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU  123  13.80 +/- 0.54   0.039% *  0.3553% (0.67   0.02   0.02) =   0.000%
          HA    PRO   58 - HG    LEU  123  12.85 +/- 0.65   0.060% *  0.1361% (0.26   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  123  17.29 +/- 0.76   0.010% *  0.3145% (0.60   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU  123  16.10 +/- 0.75   0.015% *  0.1907% (0.36   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU  123  23.76 +/- 0.82   0.001% *  0.3499% (0.66   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG    LEU  123  20.14 +/- 0.59   0.004% *  0.1237% (0.23   0.02   0.02) =   0.000%
          HA    SER   13 - HG    LEU  123  26.11 +/- 1.11   0.001% *  0.1237% (0.23   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 5.32, residual support = 193.9:
    * O T HB2   LEU  123 - HG    LEU  123   2.32 +/- 0.20  99.884% * 97.5251% (0.69   5.32 193.86) = 100.000%  kept
          HB2   LYS+ 121 - HG    LEU  123   7.33 +/- 0.49   0.102% *  0.1131% (0.21   0.02   2.42) =   0.000%
        T QD    LYS+  65 - HG    LEU  123  12.45 +/- 0.90   0.006% *  0.1250% (0.23   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG    LEU  123  12.87 +/- 0.81   0.005% *  0.1507% (0.28   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG    LEU  123  15.59 +/- 1.26   0.001% *  0.1643% (0.31   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HG    LEU  123  17.40 +/- 1.27   0.001% *  0.3287% (0.62   0.02   0.02) =   0.000%
        T HG3   PRO   93 - HG    LEU  123  19.39 +/- 0.56   0.000% *  0.3657% (0.69   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG    LEU  123  19.84 +/- 1.02   0.000% *  0.3384% (0.63   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG    LEU  123  20.08 +/- 0.58   0.000% *  0.2371% (0.44   0.02   0.02) =   0.000%
          HB3   MET   92 - HG    LEU  123  21.43 +/- 0.64   0.000% *  0.2935% (0.55   0.02   0.02) =   0.000%
          QD    LYS+  38 - HG    LEU  123  21.70 +/- 0.86   0.000% *  0.2075% (0.39   0.02   0.02) =   0.000%
          HB    VAL   83 - HG    LEU  123  27.83 +/- 0.63   0.000% *  0.1507% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.88 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 = 5.21, residual support = 193.9:
    * O T HB3   LEU  123 - HG    LEU  123   2.73 +/- 0.14  99.992% * 98.6631% (0.69   5.21 193.86) = 100.000%  kept
          QB    ALA   57 - HG    LEU  123  14.22 +/- 0.49   0.005% *  0.3287% (0.60   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG    LEU  123  18.17 +/- 0.87   0.001% *  0.3398% (0.62   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HG    LEU  123  19.19 +/- 0.92   0.001% *  0.2145% (0.39   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG    LEU  123  21.85 +/- 1.41   0.000% *  0.3789% (0.69   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG    LEU  123  21.82 +/- 1.00   0.000% *  0.0750% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 193.9:
    * O T QD1   LEU  123 - HG    LEU  123   2.12 +/- 0.01  99.965% * 98.6179% (0.69   5.62 193.86) = 100.000%  kept
          QG1   VAL   70 - HG    LEU  123   9.56 +/- 0.66   0.013% *  0.3242% (0.63   0.02   0.02) =   0.000%
          HB3   LEU   63 - HG    LEU  123   9.18 +/- 0.70   0.018% *  0.1198% (0.23   0.02   0.02) =   0.000%
          HB3   LEU  104 - HG    LEU  123  12.74 +/- 0.67   0.002% *  0.2934% (0.57   0.02   0.02) =   0.000%
          QG1   VAL   18 - HG    LEU  123  15.02 +/- 0.60   0.001% *  0.2934% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   71 - HG    LEU  123  17.00 +/- 0.82   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 = 193.9:
    * O T QD2   LEU  123 - HG    LEU  123   2.13 +/- 0.01  99.981% * 99.6927% (0.69   4.44 193.86) = 100.000%  kept
          HG3   LYS+ 121 - HG    LEU  123   9.14 +/- 0.44   0.017% *  0.2185% (0.33   0.02   2.42) =   0.000%
          HB3   LEU  104 - HG    LEU  123  12.74 +/- 0.67   0.002% *  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 = 6.05, residual support = 193.9:
    *   T HA    LEU  123 - QD1   LEU  123   2.22 +/- 0.58  99.922% * 98.3977% (1.00   6.05 193.86) = 100.000%  kept
          HA    ILE   56 - QD1   LEU  123  11.47 +/- 0.62   0.015% *  0.3191% (0.98   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD1   LEU  123  11.12 +/- 0.59   0.026% *  0.1713% (0.53   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU  123  10.45 +/- 0.88   0.024% *  0.1222% (0.38   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD1   LEU  123  13.09 +/- 0.83   0.005% *  0.2824% (0.87   0.02   0.02) =   0.000%
          HA    LEU   40 - QD1   LEU  123  12.02 +/- 0.96   0.007% *  0.1713% (0.53   0.02   0.02) =   0.000%
          HA    ASN   35 - QD1   LEU  123  18.38 +/- 1.08   0.001% *  0.3141% (0.97   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD1   LEU  123  15.44 +/- 1.02   0.002% *  0.1110% (0.34   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU  123  20.47 +/- 1.35   0.000% *  0.1110% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1601 (1.68, 0.86, 26.01 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 5.95, residual support = 193.9:
    * O T HB2   LEU  123 - QD1   LEU  123   2.86 +/- 0.20  97.979% * 97.7793% (1.00   5.95 193.86) =  99.998%  kept
          HB2   LYS+ 121 - QD1   LEU  123   5.61 +/- 0.17   1.834% *  0.1015% (0.31   0.02   2.42) =   0.002%
          QD    LYS+  99 - QD1   LEU  123   9.59 +/- 0.71   0.077% *  0.1352% (0.41   0.02   0.02) =   0.000%
          QD    LYS+  65 - QD1   LEU  123   9.73 +/- 1.08   0.072% *  0.1122% (0.34   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   LEU  123  12.48 +/- 0.85   0.016% *  0.1475% (0.45   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD1   LEU  123  14.94 +/- 0.73   0.005% *  0.2950% (0.90   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD1   LEU  123  15.69 +/- 0.83   0.004% *  0.3036% (0.92   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD1   LEU  123  15.98 +/- 0.56   0.003% *  0.3282% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD1   LEU  123  15.55 +/- 1.00   0.004% *  0.2128% (0.65   0.02   0.02) =   0.000%
          HB3   MET   92 - QD1   LEU  123  17.64 +/- 0.55   0.002% *  0.2634% (0.80   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD1   LEU  123  16.84 +/- 0.90   0.003% *  0.1862% (0.57   0.02   0.02) =   0.000%
          HB    VAL   83 - QD1   LEU  123  22.19 +/- 0.85   0.000% *  0.1352% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.80 A violated in 2 structures by 0.10 A, kept.
 
    Peak 1602 (1.63, 0.86, 26.01 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 0.02, residual support = 193.8:
    * O T HB3   LEU  123 - QD1   LEU  123   2.96 +/- 0.26  99.949% * 22.0833% (1.00   0.02 193.86) =  99.959%  kept
          QB    ALA   57 - QD1   LEU  123  11.65 +/- 0.68   0.032% * 19.1557% (0.87   0.02   0.02) =   0.028%
          HD3   LYS+ 111 - QD1   LEU  123  15.55 +/- 0.48   0.005% * 19.8050% (0.90   0.02   0.02) =   0.005%
          HD2   LYS+  74 - QD1   LEU  123  15.13 +/- 1.22   0.007% * 12.5025% (0.57   0.02   0.02) =   0.004%
          QD    LYS+  33 - QD1   LEU  123  16.90 +/- 1.44   0.004% * 22.0833% (1.00   0.02   0.02) =   0.004%
          HG3   ARG+  54 - QD1   LEU  123  18.22 +/- 1.17   0.002% *  4.3703% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.74 A violated in 16 structures by 0.28 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 = 193.8:
    * O T HG    LEU  123 - QD1   LEU  123   2.12 +/- 0.01  95.794% * 96.1639% (0.69   5.62 193.86) =  99.996%  kept
          QB    LYS+  66 - QD1   LEU  123   3.99 +/- 0.95   4.036% *  0.0769% (0.15   0.02   0.02) =   0.003%
          HG3   PRO   68 - QD1   LEU  123   8.27 +/- 2.24   0.139% *  0.4603% (0.92   0.02   0.02) =   0.001%
          HB3   ASP- 105 - QD1   LEU  123   8.58 +/- 0.42   0.023% *  0.4165% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   LEU  123  11.96 +/- 0.27   0.003% *  0.2623% (0.53   0.02   0.02) =   0.000%
          HB    ILE  103 - QD1   LEU  123  15.16 +/- 0.53   0.001% *  0.4472% (0.90   0.02   0.02) =   0.000%
          HB    VAL   41 - QD1   LEU  123  14.00 +/- 0.93   0.001% *  0.1386% (0.28   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD1   LEU  123  14.94 +/- 0.76   0.001% *  0.2050% (0.41   0.02   0.02) =   0.000%
          HB    ILE   56 - QD1   LEU  123  13.29 +/- 0.62   0.002% *  0.0873% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   LEU  123  17.11 +/- 1.12   0.000% *  0.3621% (0.73   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD1   LEU  123  17.83 +/- 1.14   0.000% *  0.4325% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD1   LEU  123  18.00 +/- 0.58   0.000% *  0.3425% (0.69   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   LEU  123  22.38 +/- 0.91   0.000% *  0.3226% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   LEU  123  22.84 +/- 0.64   0.000% *  0.2823% (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 = 193.9:
    * O T QD2   LEU  123 - QD1   LEU  123   2.10 +/- 0.05  99.930% * 99.7223% (1.00   4.92 193.86) = 100.000%  kept
          HG3   LYS+ 121 - QD1   LEU  123   7.26 +/- 0.17   0.059% *  0.1974% (0.49   0.02   2.42) =   0.000%
        T HB3   LEU  104 - QD1   LEU  123   9.65 +/- 0.54   0.011% *  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 = 4.76, residual support = 193.9:
    *   T HA    LEU  123 - QD2   LEU  123   2.90 +/- 0.10  99.903% * 97.9717% (1.00   4.76 193.86) = 100.000%  kept
          HA    ILE   56 - QD2   LEU  123  12.44 +/- 0.61   0.017% *  0.4039% (0.98   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU  123  10.91 +/- 0.78   0.039% *  0.1546% (0.38   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD2   LEU  123  11.71 +/- 0.53   0.025% *  0.2168% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD2   LEU  123  15.37 +/- 0.65   0.005% *  0.3574% (0.87   0.02   0.02) =   0.000%
          HA    LEU   40 - QD2   LEU  123  14.23 +/- 0.72   0.008% *  0.2168% (0.53   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU  123  16.59 +/- 0.66   0.003% *  0.1406% (0.34   0.02   0.02) =   0.000%
          HA    ASN   35 - QD2   LEU  123  20.52 +/- 0.80   0.001% *  0.3977% (0.97   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU  123  21.37 +/- 1.26   0.001% *  0.1406% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1607 (1.68, 0.82, 23.66 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.75, residual support = 193.9:
    * O T HB2   LEU  123 - QD2   LEU  123   2.89 +/- 0.28  99.570% * 97.2351% (1.00   4.75 193.86) =  99.999%  kept
        T HB2   LYS+ 121 - QD2   LEU  123   7.86 +/- 0.16   0.283% *  0.1264% (0.31   0.02   2.42) =   0.000%
          QD    LYS+  65 - QD2   LEU  123   9.76 +/- 0.90   0.095% *  0.1397% (0.34   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD2   LEU  123  11.49 +/- 0.65   0.030% *  0.1684% (0.41   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QD2   LEU  123  16.00 +/- 0.85   0.004% *  0.3673% (0.90   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD2   LEU  123  14.55 +/- 0.92   0.008% *  0.1836% (0.45   0.02   0.02) =   0.000%
          HG3   PRO   93 - QD2   LEU  123  17.35 +/- 0.57   0.003% *  0.4086% (1.00   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QD2   LEU  123  17.76 +/- 0.77   0.002% *  0.3780% (0.92   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD2   LEU  123  17.55 +/- 0.69   0.002% *  0.2649% (0.65   0.02   0.02) =   0.000%
          HB3   MET   92 - QD2   LEU  123  19.26 +/- 0.54   0.001% *  0.3279% (0.80   0.02   0.02) =   0.000%
          QD    LYS+  38 - QD2   LEU  123  18.54 +/- 0.81   0.002% *  0.2318% (0.57   0.02   0.02) =   0.000%
          HB    VAL   83 - QD2   LEU  123  24.39 +/- 0.66   0.000% *  0.1684% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.60 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 = 4.52, residual support = 193.9:
    * O T HB3   LEU  123 - QD2   LEU  123   2.29 +/- 0.34  99.992% * 98.4619% (1.00   4.52 193.86) = 100.000%  kept
          QB    ALA   57 - QD2   LEU  123  12.25 +/- 0.62   0.005% *  0.3781% (0.87   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - QD2   LEU  123  16.71 +/- 0.55   0.001% *  0.3910% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  33 - QD2   LEU  123  18.38 +/- 1.30   0.001% *  0.4359% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+  74 - QD2   LEU  123  16.76 +/- 1.03   0.001% *  0.2468% (0.57   0.02   0.02) =   0.000%
          HG3   ARG+  54 - QD2   LEU  123  18.78 +/- 1.03   0.000% *  0.0863% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 193.9:
    * O T HG    LEU  123 - QD2   LEU  123   2.13 +/- 0.01  98.217% * 95.1988% (0.69   4.44 193.86) =  99.998%  kept
          QB    LYS+  66 - QD2   LEU  123   4.47 +/- 0.66   1.731% *  0.0963% (0.15   0.02   0.02) =   0.002%
          HG3   PRO   68 - QD2   LEU  123   8.92 +/- 1.65   0.042% *  0.5761% (0.92   0.02   0.02) =   0.000%
          HB3   ASP- 105 - QD2   LEU  123  11.01 +/- 0.37   0.005% *  0.5213% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD2   LEU  123  13.99 +/- 0.30   0.001% *  0.3283% (0.53   0.02   0.02) =   0.000%
          HB    ILE  103 - QD2   LEU  123  17.61 +/- 0.51   0.000% *  0.5597% (0.90   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QD2   LEU  123  18.45 +/- 1.05   0.000% *  0.5413% (0.87   0.02   0.02) =   0.000%
        T HB    ILE   56 - QD2   LEU  123  14.45 +/- 0.62   0.001% *  0.1093% (0.18   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD2   LEU  123  18.73 +/- 0.82   0.000% *  0.4532% (0.73   0.02   0.02) =   0.000%
          HB    VAL   41 - QD2   LEU  123  16.24 +/- 0.65   0.001% *  0.1735% (0.28   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  123  17.41 +/- 0.71   0.000% *  0.2566% (0.41   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  123  19.12 +/- 0.63   0.000% *  0.4287% (0.69   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD2   LEU  123  24.39 +/- 0.89   0.000% *  0.4037% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD2   LEU  123  24.68 +/- 0.55   0.000% *  0.3533% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 193.9:
    * O T QD1   LEU  123 - QD2   LEU  123   2.10 +/- 0.05  99.930% * 98.4247% (1.00   4.92 193.86) = 100.000%  kept
          QG1   VAL   70 - QD2   LEU  123   8.23 +/- 0.68   0.032% *  0.3696% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   63 - QD2   LEU  123   8.33 +/- 0.81   0.032% *  0.1366% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  104 - QD2   LEU  123  12.03 +/- 0.49   0.003% *  0.3344% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   18 - QD2   LEU  123  12.87 +/- 0.70   0.002% *  0.3344% (0.84   0.02   0.02) =   0.000%
          QD1   LEU   71 - QD2   LEU  123  14.45 +/- 0.73   0.001% *  0.4004% (1.00   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1611 (0.82, 0.82, 23.66 ppm):
    1 diagonal assignment:
    *     QD2   LEU  123 - QD2   LEU  123  (1.00)  kept
 
    Peak 1612 (4.11, 4.11, 54.16 ppm):
    2 diagonal assignments:
    *     HA    ALA  124 - HA    ALA  124  (1.00)  kept
          HA    ALA   34 - HA    ALA   34  (0.04)  kept
 
    Peak 1614 (1.35, 4.11, 54.16 ppm):
    30 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 9.48:
    * O T QB    ALA  124 - HA    ALA  124   2.13 +/- 0.02  99.805% * 84.4132% (1.00   1.00   9.48) = 100.000%  kept
          HG2   LYS+  38 - HA    ALA   34   6.61 +/- 0.27   0.114% *  0.0435% (0.03   0.02   0.02) =   0.000%
        T HB2   LEU   31 - HA    ALA   34   8.01 +/- 0.16   0.035% *  0.1265% (0.07   0.02   5.07) =   0.000%
          HB2   LEU   63 - HA    ALA  124  14.49 +/- 0.51   0.001% *  1.5141% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA   34   8.88 +/- 0.74   0.022% *  0.0603% (0.04   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA   34  10.79 +/- 0.77   0.007% *  0.1916% (0.11   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    ALA  124  15.13 +/- 1.14   0.001% *  0.5211% (0.31   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA   34  10.04 +/- 0.23   0.009% *  0.0342% (0.02   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    ALA  124  20.13 +/- 1.18   0.000% *  1.6548% (0.98   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA  124  20.08 +/- 0.79   0.000% *  1.6293% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA  124  18.20 +/- 0.80   0.000% *  0.5759% (0.34   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ALA   34  15.32 +/- 0.58   0.001% *  0.1887% (0.11   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ALA   34  15.77 +/- 0.55   0.001% *  0.1753% (0.10   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA  124  23.23 +/- 0.33   0.000% *  1.5141% (0.90   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA   34  16.61 +/- 0.40   0.000% *  0.1804% (0.11   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ALA  124  25.25 +/- 0.60   0.000% *  1.5585% (0.92   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA  124  23.35 +/- 0.44   0.000% *  0.9558% (0.57   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ALA   34  18.39 +/- 1.19   0.000% *  0.1955% (0.12   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA  124  20.90 +/- 0.48   0.000% *  0.4210% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA   34  17.92 +/- 0.59   0.000% *  0.1565% (0.09   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA   34  14.49 +/- 1.18   0.001% *  0.0387% (0.02   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ALA  124  20.84 +/- 1.43   0.000% *  0.3341% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    ALA  124  22.22 +/- 1.33   0.000% *  0.3759% (0.22   0.02   0.02) =   0.000%
        T HB2   LEU   31 - HA    ALA  124  26.95 +/- 0.97   0.000% *  1.0921% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ALA   34  17.27 +/- 0.74   0.000% *  0.0667% (0.04   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    ALA  124  23.82 +/- 0.75   0.000% *  0.2957% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ALA   34  21.91 +/- 0.57   0.000% *  0.1753% (0.10   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ALA  124  31.36 +/- 1.23   0.000% *  1.3519% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ALA   34  27.47 +/- 0.40   0.000% *  0.1107% (0.07   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ALA   34  28.38 +/- 0.41   0.000% *  0.0487% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1629 (1.35, 1.35, 20.20 ppm):
    1 diagonal assignment:
    *     QB    ALA  124 - QB    ALA  124  (1.00)  kept
 
    Peak 1630 (4.11, 1.35, 20.20 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 1.0, residual support = 9.48:
    * O T HA    ALA  124 - QB    ALA  124   2.13 +/- 0.02  99.998% * 92.6901% (1.00   1.00   9.48) = 100.000%  kept
          HA    LEU  115 - QB    ALA  124  13.69 +/- 0.64   0.001% *  0.9023% (0.49   0.02   0.02) =   0.000%
        T HA    ALA   34 - QB    ALA  124  18.39 +/- 1.19   0.000% *  0.6323% (0.34   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA  124  21.95 +/- 0.53   0.000% *  1.8171% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA  124  21.87 +/- 1.36   0.000% *  1.1992% (0.65   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA  124  19.08 +/- 0.93   0.000% *  0.3669% (0.20   0.02   0.02) =   0.000%
        T HA    ASN   28 - QB    ALA  124  24.79 +/- 0.96   0.000% *  0.9753% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    ALA  124  28.66 +/- 0.56   0.000% *  1.4167% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 5.68, residual support = 193.9:
    * O T HB3   LEU  123 - HB2   LEU  123   1.75 +/- 0.00 100.000% * 98.7720% (1.00   5.68 193.86) = 100.000%  kept
          QB    ALA   57 - HB2   LEU  123  15.73 +/- 0.57   0.000% *  0.3019% (0.87   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB2   LEU  123  18.95 +/- 0.62   0.000% *  0.3121% (0.90   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HB2   LEU  123  22.22 +/- 1.75   0.000% *  0.3480% (1.00   0.02   0.02) =   0.000%
        T HD2   LYS+  74 - HB2   LEU  123  20.52 +/- 0.71   0.000% *  0.1970% (0.57   0.02   0.02) =   0.000%
          HG3   ARG+  54 - HB2   LEU  123  23.59 +/- 0.90   0.000% *  0.0689% (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 = 5.68, residual support = 193.9:
      O T HB2   LEU  123 - HB3   LEU  123   1.75 +/- 0.00  99.985% * 97.6644% (0.99   5.68 193.86) = 100.000%  kept
          HB2   LYS+ 121 - HB3   LEU  123   7.95 +/- 0.52   0.013% *  0.1303% (0.38   0.02   2.42) =   0.000%
          QD    LYS+  99 - HB3   LEU  123  12.69 +/- 0.87   0.001% *  0.1184% (0.34   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LEU  123  13.51 +/- 0.76   0.001% *  0.1427% (0.41   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HB3   LEU  123  16.48 +/- 1.13   0.000% *  0.1303% (0.38   0.02   0.02) =   0.000%
        T HD2   LYS+ 111 - HB3   LEU  123  19.26 +/- 1.14   0.000% *  0.2900% (0.84   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HB3   LEU  123  19.86 +/- 0.96   0.000% *  0.3351% (0.97   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LEU  123  21.55 +/- 1.02   0.000% *  0.3464% (1.00   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LEU  123  21.41 +/- 1.07   0.000% *  0.2246% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   73 - HB3   LEU  123  21.42 +/- 1.00   0.000% *  0.1966% (0.57   0.02   0.02) =   0.000%
          HB3   MET   92 - HB3   LEU  123  23.45 +/- 1.11   0.000% *  0.2521% (0.73   0.02   0.02) =   0.000%
        T HB    VAL   83 - HB3   LEU  123  29.31 +/- 1.01   0.000% *  0.1690% (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 = 5.83, residual support = 193.9:
    * O T QD1   LEU  123 - HB3   LEU  123   2.96 +/- 0.26  99.832% * 98.6674% (1.00   5.83 193.86) = 100.000%  kept
          QG1   VAL   70 - HB3   LEU  123   9.78 +/- 0.83   0.092% *  0.3126% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   63 - HB3   LEU  123  10.70 +/- 1.12   0.054% *  0.1155% (0.34   0.02   0.02) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  12.95 +/- 0.81   0.016% *  0.2829% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   18 - HB3   LEU  123  16.38 +/- 1.04   0.004% *  0.2829% (0.84   0.02   0.02) =   0.000%
          QD1   LEU   71 - HB3   LEU  123  17.51 +/- 0.92   0.003% *  0.3387% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.04 A, kept.
 
    Peak 1637 (0.82, 1.63, 43.16 ppm):
    3 chemical-shift based assignments, quality = 1.0, support = 4.52, residual support = 193.9:
    * O T QD2   LEU  123 - HB3   LEU  123   2.29 +/- 0.34  99.936% * 99.6978% (1.00   4.52 193.86) = 100.000%  kept
          HG3   LYS+ 121 - HB3   LEU  123   9.34 +/- 0.70   0.057% *  0.2149% (0.49   0.02   2.42) =   0.000%
          HB3   LEU  104 - HB3   LEU  123  12.95 +/- 0.81   0.007% *  0.0874% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.02 A, kept.
 
    Peak 1638 (1.85, 1.63, 43.16 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 5.21, residual support = 193.9:
    * O T HG    LEU  123 - HB3   LEU  123   2.73 +/- 0.14  99.407% * 95.8760% (0.69   5.21 193.86) =  99.999%  kept
          QB    LYS+  66 - HB3   LEU  123   6.74 +/- 0.72   0.511% *  0.0827% (0.15   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HB3   LEU  123  11.35 +/- 2.37   0.061% *  0.4948% (0.92   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HB3   LEU  123  12.13 +/- 0.85   0.014% *  0.4477% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HB3   LEU  123  16.01 +/- 0.78   0.003% *  0.2820% (0.53   0.02   0.02) =   0.000%
          HB    ILE  103 - HB3   LEU  123  19.87 +/- 0.91   0.001% *  0.4807% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   LEU  123  19.87 +/- 1.11   0.001% *  0.2204% (0.41   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   LEU  123  19.18 +/- 0.96   0.001% *  0.1490% (0.28   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HB3   LEU  123  22.59 +/- 0.90   0.000% *  0.3892% (0.73   0.02   0.02) =   0.000%
        T HG2   ARG+  54 - HB3   LEU  123  23.60 +/- 1.33   0.000% *  0.4650% (0.87   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   LEU  123  18.22 +/- 0.92   0.001% *  0.0939% (0.18   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB3   LEU  123  23.76 +/- 1.10   0.000% *  0.3682% (0.69   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   LEU  123  29.24 +/- 1.19   0.000% *  0.3468% (0.65   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   LEU  123  29.78 +/- 0.94   0.000% *  0.3035% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 5.88, residual support = 193.9:
    * O T HA    LEU  123 - HB3   LEU  123   2.58 +/- 0.13  99.986% * 98.3539% (1.00   5.88 193.86) = 100.000%  kept
          HA    ASP- 113 - HB3   LEU  123  14.14 +/- 0.63   0.004% *  0.1759% (0.53   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   LEU  123  16.03 +/- 0.93   0.002% *  0.3278% (0.98   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LEU  123  14.90 +/- 0.96   0.003% *  0.1255% (0.38   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB3   LEU  123  17.48 +/- 0.88   0.001% *  0.2901% (0.87   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   LEU  123  16.38 +/- 1.01   0.002% *  0.1759% (0.53   0.02   0.02) =   0.000%
          HA    ASN   35 - HB3   LEU  123  24.04 +/- 1.07   0.000% *  0.3227% (0.97   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LEU  123  20.88 +/- 1.03   0.000% *  0.1141% (0.34   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LEU  123  26.72 +/- 1.54   0.000% *  0.1141% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 5.21, residual support = 306.3:
    * O   HD2   LYS+ 121 - HD3   LYS+ 121   1.75 +/- 0.00  98.292% * 98.2142% (1.00   5.21 306.29) =  99.998%  kept
      O   HB3   LYS+ 121 - HD3   LYS+ 121   3.56 +/- 0.32   1.689% *  0.1164% (0.31   0.02 306.29) =   0.002%
          HG    LEU  104 - HD3   LYS+ 121   8.81 +/- 1.32   0.015% *  0.1164% (0.31   0.02   0.02) =   0.000%
          QD    LYS+  66 - HD3   LYS+ 121  13.71 +/- 1.43   0.001% *  0.3020% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   40 - HD3   LYS+ 121  11.54 +/- 1.56   0.002% *  0.0661% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HD3   LYS+ 121  14.03 +/- 1.76   0.001% *  0.0840% (0.22   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD3   LYS+ 121  19.01 +/- 1.10   0.000% *  0.3739% (0.99   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HD3   LYS+ 121  20.85 +/- 1.01   0.000% *  0.2883% (0.76   0.02   0.02) =   0.000%
          QG2   THR   26 - HD3   LYS+ 121  21.80 +/- 0.78   0.000% *  0.3640% (0.97   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD3   LYS+ 121  20.55 +/- 1.04   0.000% *  0.0747% (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 = 306.3:
    * O   HG2   LYS+ 121 - HD3   LYS+ 121   2.93 +/- 0.16  99.755% * 99.1172% (1.00   6.28 306.29) = 100.000%  kept
          QG2   VAL  107 - HD3   LYS+ 121   9.54 +/- 1.17   0.122% *  0.2913% (0.92   0.02   0.02) =   0.000%
          HG13  ILE  119 - HD3   LYS+ 121   9.60 +/- 0.77   0.096% *  0.0974% (0.31   0.02   1.94) =   0.000%
          HG13  ILE  103 - HD3   LYS+ 121  11.94 +/- 0.93   0.026% *  0.1536% (0.49   0.02   0.02) =   0.000%
          QB    ALA   20 - HD3   LYS+ 121  21.41 +/- 0.69   0.001% *  0.2527% (0.80   0.02   0.02) =   0.000%
          HB3   LEU   31 - HD3   LYS+ 121  21.38 +/- 1.21   0.001% *  0.0878% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 306.3:
    * O T HG3   LYS+ 121 - HD3   LYS+ 121   2.56 +/- 0.25  99.917% * 99.4488% (1.00   5.98 306.29) = 100.000%  kept
          QD2   LEU  123 - HD3   LYS+ 121   9.31 +/- 0.81   0.071% *  0.1619% (0.49   0.02   2.42) =   0.000%
        T QD1   ILE   56 - HD3   LYS+ 121  12.52 +/- 1.04   0.010% *  0.2018% (0.61   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HD3   LYS+ 121  15.58 +/- 1.26   0.003% *  0.1135% (0.34   0.02   0.02) =   0.000%
          HG    LEU   31 - HD3   LYS+ 121  21.67 +/- 1.55   0.000% *  0.0741% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1661 (1.66, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 7.15, residual support = 306.3:
    * O   HB2   LYS+ 121 - HD3   LYS+ 121   2.73 +/- 0.37  99.783% * 98.5552% (1.00   7.15 306.29) = 100.000%  kept
          HB2   LEU  123 - HD3   LYS+ 121   8.34 +/- 1.27   0.184% *  0.0850% (0.31   0.02   2.42) =   0.000%
          QD    LYS+ 102 - HD3   LYS+ 121  12.89 +/- 1.52   0.022% *  0.1450% (0.53   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   LYS+ 121  18.24 +/- 1.64   0.002% *  0.2471% (0.90   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD3   LYS+ 121  18.10 +/- 0.92   0.001% *  0.2749% (1.00   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HD3   LYS+ 121  16.37 +/- 1.89   0.004% *  0.0766% (0.28   0.02   0.02) =   0.000%
          QB    ALA   57 - HD3   LYS+ 121  17.32 +/- 0.68   0.002% *  0.0850% (0.31   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD3   LYS+ 121  19.94 +/- 1.03   0.001% *  0.1671% (0.61   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD3   LYS+ 121  19.58 +/- 1.20   0.001% *  0.0940% (0.34   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   LYS+ 121  24.61 +/- 0.82   0.000% *  0.2701% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 5.82, residual support = 306.3:
    * O   QE    LYS+ 121 - HD3   LYS+ 121   2.37 +/- 0.15  99.751% * 99.2747% (1.00   5.82 306.29) =  99.999%  kept
          HB3   HIS  122 - HD3   LYS+ 121   7.17 +/- 1.13   0.249% *  0.2851% (0.84   0.02  50.01) =   0.001%
          HG2   GLN   30 - HD3   LYS+ 121  24.36 +/- 1.03   0.000% *  0.2345% (0.69   0.02   0.02) =   0.000%
          HB3   ASN   28 - HD3   LYS+ 121  26.68 +/- 1.21   0.000% *  0.1530% (0.45   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD3   LYS+ 121  28.41 +/- 1.05   0.000% *  0.0527% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1663 (3.94, 1.41, 29.95 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 6.64, residual support = 306.2:
    *   T HA    LYS+ 121 - HD3   LYS+ 121   3.60 +/- 0.81  87.483% * 98.2351% (1.00   6.64 306.29) =  99.964%  kept
          QB    SER  117 - HD3   LYS+ 121   6.91 +/- 1.73  11.392% *  0.2470% (0.84   0.02   0.02) =   0.033%
          HA    ALA  120 - HD3   LYS+ 121   7.69 +/- 0.76   1.049% *  0.2260% (0.76   0.02   2.59) =   0.003%
          HB    THR   94 - HD3   LYS+ 121  16.66 +/- 1.14   0.019% *  0.2931% (0.99   0.02   0.02) =   0.000%
          HA    PHE   60 - HD3   LYS+ 121  13.96 +/- 0.81   0.042% *  0.0822% (0.28   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HD3   LYS+ 121  18.07 +/- 1.14   0.007% *  0.1009% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   LYS+ 121  21.05 +/- 1.44   0.003% *  0.1216% (0.41   0.02   0.02) =   0.000%
          HA2   GLY   51 - HD3   LYS+ 121  26.31 +/- 1.23   0.001% *  0.2931% (0.99   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   LYS+ 121  23.15 +/- 1.02   0.002% *  0.1216% (0.41   0.02   0.02) =   0.000%
          QB    SER   48 - HD3   LYS+ 121  26.47 +/- 0.97   0.001% *  0.2797% (0.95   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 = 306.3:
    * O T HG2   LYS+ 121 - HB3   LYS+ 121   2.66 +/- 0.26  99.606% * 99.2860% (0.84   7.78 306.29) = 100.000%  kept
          QG2   VAL  107 - HB3   LYS+ 121   8.34 +/- 0.45   0.109% *  0.2356% (0.77   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB3   LYS+ 121   7.25 +/- 0.42   0.268% *  0.0788% (0.26   0.02   1.94) =   0.000%
          HG13  ILE  103 - HB3   LYS+ 121  12.04 +/- 0.76   0.016% *  0.1242% (0.41   0.02   0.02) =   0.000%
          QB    ALA   20 - HB3   LYS+ 121  20.09 +/- 0.43   0.001% *  0.2044% (0.67   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB3   LYS+ 121  21.07 +/- 0.73   0.001% *  0.0710% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 7.11, residual support = 306.3:
    * O T HG3   LYS+ 121 - HB3   LYS+ 121   2.44 +/- 0.18  99.884% * 99.5358% (0.84   7.11 306.29) = 100.000%  kept
          QD2   LEU  123 - HB3   LYS+ 121   7.92 +/- 0.22   0.097% *  0.1363% (0.41   0.02   2.42) =   0.000%
          QD1   ILE   56 - HB3   LYS+ 121  10.95 +/- 0.55   0.016% *  0.1699% (0.51   0.02   0.02) =   0.000%
        T QD2   LEU   73 - HB3   LYS+ 121  14.68 +/- 1.09   0.003% *  0.0955% (0.28   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   LYS+ 121  21.13 +/- 1.16   0.000% *  0.0624% (0.19   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 8.92, residual support = 306.3:
    * O T HB2   LYS+ 121 - HB3   LYS+ 121   1.75 +/- 0.00  99.966% * 98.8375% (0.84   8.92 306.29) = 100.000%  kept
          HB2   LEU  123 - HB3   LYS+ 121   6.86 +/- 0.71   0.032% *  0.0684% (0.26   0.02   2.42) =   0.000%
        T QD    LYS+ 102 - HB3   LYS+ 121  14.04 +/- 0.84   0.000% *  0.1166% (0.44   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HB3   LYS+ 121  16.39 +/- 0.51   0.000% *  0.2212% (0.83   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HB3   LYS+ 121  15.37 +/- 0.82   0.000% *  0.0616% (0.23   0.02   0.02) =   0.000%
          QB    ALA   57 - HB3   LYS+ 121  15.58 +/- 0.41   0.000% *  0.0684% (0.26   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HB3   LYS+ 121  18.70 +/- 0.74   0.000% *  0.1988% (0.75   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HB3   LYS+ 121  18.30 +/- 0.68   0.000% *  0.1345% (0.51   0.02   0.02) =   0.000%
          HG3   PRO   93 - HB3   LYS+ 121  17.95 +/- 0.48   0.000% *  0.0756% (0.28   0.02   0.02) =   0.000%
          HB    VAL   83 - HB3   LYS+ 121  23.94 +/- 0.45   0.000% *  0.2173% (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 = 0.819, support = 6.83, residual support = 275.3:
    *     QE    LYS+ 121 - HB3   LYS+ 121   4.07 +/- 0.30  81.752% * 61.7191% (0.84   7.06 306.29) =  87.905%  kept
          HB3   HIS  122 - HB3   LYS+ 121   5.39 +/- 0.51  18.243% * 38.0553% (0.70   5.21  50.01) =  12.095%  kept
        T HG2   GLN   30 - HB3   LYS+ 121  23.43 +/- 0.70   0.002% *  0.1202% (0.57   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB3   LYS+ 121  26.24 +/- 0.72   0.001% *  0.0784% (0.37   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HB3   LYS+ 121  27.09 +/- 0.63   0.001% *  0.0270% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1671 (3.94, 1.52, 32.89 ppm):
    10 chemical-shift based assignments, quality = 0.835, support = 8.28, residual support = 306.3:
    * O T HA    LYS+ 121 - HB3   LYS+ 121   2.82 +/- 0.06  97.430% * 98.5788% (0.84   8.28 306.29) =  99.995%  kept
          QB    SER  117 - HB3   LYS+ 121   6.02 +/- 0.71   1.274% *  0.1989% (0.70   0.02   0.02) =   0.003%
          HA    ALA  120 - HB3   LYS+ 121   5.85 +/- 0.36   1.270% *  0.1820% (0.64   0.02   2.59) =   0.002%
          HA    PHE   60 - HB3   LYS+ 121  11.95 +/- 0.42   0.017% *  0.0662% (0.23   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LYS+ 121  15.62 +/- 0.29   0.003% *  0.2360% (0.83   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB3   LYS+ 121  16.22 +/- 0.60   0.003% *  0.0812% (0.28   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LYS+ 121  19.57 +/- 0.85   0.001% *  0.0979% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LYS+ 121  24.49 +/- 0.46   0.000% *  0.2360% (0.83   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LYS+ 121  25.12 +/- 0.35   0.000% *  0.2252% (0.79   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LYS+ 121  22.77 +/- 0.53   0.000% *  0.0979% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.817, support = 8.8, residual support = 306.3:
    * O T HB3   LYS+ 121 - HB2   LYS+ 121   1.75 +/- 0.00  86.390% * 59.5651% (0.84   8.92 306.29) =  90.500%  kept
      O T HD2   LYS+ 121 - HB2   LYS+ 121   2.77 +/- 0.68  13.602% * 39.7125% (0.65   7.68 306.29) =   9.500%  kept
          HG    LEU  104 - HB2   LYS+ 121   9.11 +/- 0.89   0.006% *  0.1336% (0.84   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HB2   LYS+ 121  11.87 +/- 1.07   0.001% *  0.1544% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HB2   LYS+ 121  12.88 +/- 0.79   0.001% *  0.1162% (0.73   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HB2   LYS+ 121  16.82 +/- 0.67   0.000% *  0.0906% (0.57   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HB2   LYS+ 121  18.68 +/- 0.72   0.000% *  0.1099% (0.69   0.02   0.02) =   0.000%
          QG2   THR   26 - HB2   LYS+ 121  20.72 +/- 0.56   0.000% *  0.0779% (0.49   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - HB2   LYS+ 121  19.05 +/- 0.82   0.000% *  0.0399% (0.25   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 = 0.747, support = 7.79, residual support = 302.3:
    * O T HB3   LYS+ 121 - HA    LYS+ 121   2.82 +/- 0.06  28.415% * 58.5556% (0.84   8.28 306.29) =  62.048%  kept
        T HD2   LYS+ 121 - HA    LYS+ 121   3.26 +/- 0.81  24.163% * 39.0352% (0.65   7.13 306.29) =  35.174%  kept
      O T HG2   LYS+  65 - HA    LYS+  65   2.61 +/- 0.46  46.945% *  1.5869% (0.04   5.27 161.77) =   2.778%  kept
        T QD    LYS+  66 - HA    LYS+  65   5.65 +/- 0.32   0.449% *  0.0103% (0.06   0.02  27.59) =   0.000%
          HG    LEU  104 - HA    LYS+ 121  10.78 +/- 0.60   0.011% *  0.1414% (0.84   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HA    LYS+ 121  11.84 +/- 0.97   0.006% *  0.1634% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+ 121  14.72 +/- 0.44   0.002% *  0.1230% (0.73   0.02   0.02) =   0.000%
        T HG2   LYS+  65 - HA    LYS+ 121  17.89 +/- 0.55   0.000% *  0.0959% (0.57   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+ 121  21.01 +/- 0.70   0.000% *  0.1163% (0.69   0.02   0.02) =   0.000%
        T HD3   LYS+  74 - HA    LYS+  65  13.59 +/- 0.86   0.003% *  0.0073% (0.04   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+  65  12.65 +/- 0.70   0.004% *  0.0026% (0.02   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+ 121  22.66 +/- 0.51   0.000% *  0.0824% (0.49   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HA    LYS+  65  16.22 +/- 0.60   0.001% *  0.0089% (0.05   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    LYS+ 121  21.34 +/- 0.82   0.000% *  0.0422% (0.25   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    LYS+  65  15.22 +/- 0.43   0.001% *  0.0052% (0.03   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    LYS+  65  17.93 +/- 0.59   0.000% *  0.0089% (0.05   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HA    LYS+  65  18.21 +/- 0.80   0.000% *  0.0069% (0.04   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    LYS+  65  20.79 +/- 0.33   0.000% *  0.0077% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 0.195, support = 4.3, residual support = 188.5:
      O T HG3   LYS+  65 - HA    LYS+  65   3.13 +/- 0.64  56.124% * 29.5457% (0.01   5.27 161.77) =  81.462%  kept
    *   T HD3   LYS+ 121 - HA    LYS+ 121   3.60 +/- 0.81  41.790% *  9.0189% (1.00   0.02 306.29) =  18.515%  kept
          QB    ALA   61 - HA    LYS+  65   6.01 +/- 0.30   1.173% *  0.1747% (0.02   0.02   0.02) =   0.010%
          HB3   LEU   67 - HA    LYS+  65   6.78 +/- 0.58   0.769% *  0.1120% (0.01   0.02   0.02) =   0.004%
          QB    LEU   98 - HA    LYS+ 121  14.02 +/- 0.42   0.007% *  7.8232% (0.87   0.02   0.02) =   0.003%
          HB3   LEU   67 - HA    LYS+ 121  12.85 +/- 1.08   0.014% *  1.7848% (0.20   0.02   0.02) =   0.001%
          HB    VAL   42 - HA    LYS+ 121  13.35 +/- 0.49   0.010% *  1.7848% (0.20   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    LYS+ 121  15.81 +/- 0.42   0.003% *  4.7450% (0.53   0.02   0.02) =   0.001%
          QB    ALA   61 - HA    LYS+ 121  15.08 +/- 0.42   0.005% *  2.7837% (0.31   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HA    LYS+  65  12.77 +/- 0.79   0.014% *  0.5648% (0.06   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+  65  12.37 +/- 0.58   0.016% *  0.3433% (0.04   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    LYS+  65  10.38 +/- 0.50   0.045% *  0.1120% (0.01   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HA    LYS+ 121  21.93 +/- 0.58   0.000% *  8.9989% (1.00   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - HA    LYS+ 121  18.09 +/- 0.58   0.002% *  1.7848% (0.20   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+  65  14.78 +/- 1.57   0.008% *  0.3433% (0.04   0.02   0.02) =   0.000%
          HG12  ILE   19 - HA    LYS+ 121  23.31 +/- 0.44   0.000% *  5.4702% (0.61   0.02   0.02) =   0.000%
          QB    LEU   98 - HA    LYS+  65  16.84 +/- 0.50   0.002% *  0.4910% (0.05   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+ 121  27.63 +/- 0.89   0.000% *  8.7038% (0.97   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - HA    LYS+  65  18.07 +/- 1.14   0.002% *  0.5661% (0.06   0.02   0.02) =   0.000%
          QB    ALA   12 - HA    LYS+ 121  26.31 +/- 1.27   0.000% *  5.4702% (0.61   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    LYS+  65  16.08 +/- 0.49   0.003% *  0.2978% (0.03   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+ 121  21.31 +/- 0.25   0.001% *  1.3916% (0.15   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+ 121  23.75 +/- 1.26   0.000% *  2.2489% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    LYS+  65  14.13 +/- 0.56   0.007% *  0.0873% (0.01   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+ 121  27.34 +/- 0.87   0.000% *  4.3900% (0.49   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - HA    LYS+  65  17.01 +/- 1.23   0.002% *  0.1412% (0.02   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    LYS+  65  23.75 +/- 0.89   0.000% *  0.5463% (0.06   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    LYS+  65  22.10 +/- 1.00   0.001% *  0.2755% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1676 (2.75, 2.75, 41.87 ppm):
    1 diagonal assignment:
    *     QE    LYS+ 121 - QE    LYS+ 121  (1.00)  kept
 
    Peak 1684 (0.24, 0.24, 20.84 ppm):
    1 diagonal assignment:
    *     QG2   THR  118 - QG2   THR  118  (0.80)  kept
 
    Peak 1685 (3.69, 3.69, 67.42 ppm):
    1 diagonal assignment:
    *     HA    THR  118 - HA    THR  118  (0.80)  kept
 
    Peak 1686 (3.88, 3.88, 68.07 ppm):
    1 diagonal assignment:
    *     HB    THR  118 - HB    THR  118  (1.00)  kept
 
    Peak 1694 (1.98, 1.46, 42.01 ppm):
    16 chemical-shift based assignments, quality = 1.0, support = 6.12, residual support = 228.5:
    * O T HB2   LEU  115 - HB3   LEU  115   1.75 +/- 0.00  99.841% * 98.6184% (1.00   6.12 228.53) = 100.000%  kept
          QB    GLU- 114 - HB3   LEU  115   5.43 +/- 0.34   0.125% *  0.0994% (0.31   0.02  17.64) =   0.000%
          HG3   PRO   58 - HB3   LEU  115   8.76 +/- 0.53   0.007% *  0.3213% (1.00   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU   40   8.21 +/- 1.40   0.016% *  0.0303% (0.09   0.02   0.02) =   0.000%
        T HB2   LEU   67 - HB3   LEU  115  13.04 +/- 1.07   0.001% *  0.2579% (0.80   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU   40  10.92 +/- 2.55   0.007% *  0.0169% (0.05   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU  115  14.02 +/- 0.98   0.000% *  0.1694% (0.53   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU  115  12.62 +/- 0.50   0.001% *  0.0895% (0.28   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LEU  115  17.16 +/- 1.35   0.000% *  0.1444% (0.45   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU  115  17.67 +/- 0.48   0.000% *  0.1209% (0.38   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LEU   40  12.92 +/- 0.96   0.001% *  0.0142% (0.04   0.02   0.02) =   0.000%
          HB    VAL   18 - HB3   LEU   40  14.43 +/- 1.84   0.000% *  0.0199% (0.06   0.02   0.02) =   0.000%
        T HB2   LEU  115 - HB3   LEU   40  17.36 +/- 0.54   0.000% *  0.0378% (0.12   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   40  15.93 +/- 0.47   0.000% *  0.0117% (0.04   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   40  20.99 +/- 0.85   0.000% *  0.0377% (0.12   0.02   0.02) =   0.000%
          HB3   ARG+  54 - HB3   LEU   40  25.64 +/- 0.77   0.000% *  0.0105% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1695 (1.46, 1.46, 42.01 ppm):
    2 diagonal assignments:
    *     HB3   LEU  115 - HB3   LEU  115  (1.00)  kept
          HB3   LEU   40 - HB3   LEU   40  (0.04)  kept
 
    Peak 1704 (2.43, 2.43, 41.54 ppm):
    2 diagonal assignments:
    *     QE    LYS+ 112 - QE    LYS+ 112  (0.70)  kept
          HB3   ASP-  62 - HB3   ASP-  62  (0.07)  kept
 
    Peak 1709 (1.37, 1.19, 32.81 ppm):
    14 chemical-shift based assignments, quality = 1.0, support = 6.97, residual support = 234.0:
    * O T HB2   LYS+ 112 - HB3   LYS+ 112   1.75 +/- 0.00  99.997% * 97.6932% (1.00   6.97 234.00) = 100.000%  kept
          HB3   PRO   93 - HB3   LYS+ 112  10.87 +/- 0.60   0.002% *  0.1365% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HB3   LYS+ 112  17.04 +/- 1.13   0.000% *  0.2653% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HB3   LYS+ 112  16.96 +/- 0.37   0.000% *  0.2749% (0.98   0.02   0.02) =   0.000%
        T HB    VAL   42 - HB3   LYS+ 112  17.51 +/- 0.48   0.000% *  0.2653% (0.95   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 112  14.50 +/- 0.85   0.000% *  0.0433% (0.15   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 112  16.44 +/- 0.87   0.000% *  0.0699% (0.25   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 112  18.74 +/- 0.54   0.000% *  0.1258% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   73 - HB3   LYS+ 112  22.68 +/- 0.53   0.000% *  0.2749% (0.98   0.02   0.02) =   0.000%
          QB    LEU   98 - HB3   LYS+ 112  20.38 +/- 0.51   0.000% *  0.0780% (0.28   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 112  21.72 +/- 0.84   0.000% *  0.0957% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HB3   LYS+ 112  26.92 +/- 1.07   0.000% *  0.2780% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HB3   LYS+ 112  29.69 +/- 0.68   0.000% *  0.2516% (0.90   0.02   0.02) =   0.000%
          QB    ALA   12 - HB3   LYS+ 112  28.49 +/- 1.79   0.000% *  0.1476% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.52 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 = 0.914, support = 4.34, residual support = 234.0:
    * O   HD2   LYS+ 112 - HD3   LYS+ 112   1.75 +/- 0.00  85.800% * 49.8781% (0.95   4.16 234.00) =  85.891%  kept
      O   HB3   LYS+ 112 - HD3   LYS+ 112   2.51 +/- 0.43  14.194% * 49.5288% (0.72   5.41 234.00) =  14.109%  kept
          HG3   LYS+ 111 - HD3   LYS+ 112   9.20 +/- 0.69   0.005% *  0.0899% (0.36   0.02  25.46) =   0.000%
          QG2   THR   94 - HD3   LYS+ 112  12.49 +/- 0.76   0.001% *  0.1918% (0.76   0.02   0.02) =   0.000%
          HB3   LEU   71 - HD3   LYS+ 112  22.92 +/- 1.54   0.000% *  0.2374% (0.94   0.02   0.02) =   0.000%
          HG12  ILE   89 - HD3   LYS+ 112  20.06 +/- 0.89   0.000% *  0.0739% (0.29   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1717 (1.11, 1.11, 29.98 ppm):
    1 diagonal assignment:
    *     HD3   LYS+ 112 - HD3   LYS+ 112  (0.89)  kept
 
    Peak 1724 (2.02, 1.53, 33.52 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.48, residual support = 313.4:
    * O   HB2   LYS+ 111 - HB3   LYS+ 111   1.75 +/- 0.00  91.245% * 98.0561% (1.00   6.48 313.41) =  99.983%  kept
          QB    GLU- 114 - HB3   LYS+ 111   3.32 +/- 0.85   8.753% *  0.1714% (0.57   0.02   5.53) =   0.017%
          HB    ILE  119 - HB3   LYS+ 111  10.86 +/- 0.51   0.002% *  0.0674% (0.22   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LYS+ 111  22.74 +/- 0.60   0.000% *  0.3001% (0.99   0.02   0.02) =   0.000%
          QB    GLU-  15 - HB3   LYS+ 111  24.44 +/- 0.59   0.000% *  0.3001% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   68 - HB3   LYS+ 111  24.15 +/- 1.10   0.000% *  0.2626% (0.87   0.02   0.02) =   0.000%
          HB    ILE   19 - HB3   LYS+ 111  22.02 +/- 0.26   0.000% *  0.1474% (0.49   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   LYS+ 111  23.00 +/- 1.51   0.000% *  0.1245% (0.41   0.02   0.02) =   0.000%
          HG3   GLN   30 - HB3   LYS+ 111  25.57 +/- 0.72   0.000% *  0.1474% (0.49   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LYS+ 111  29.90 +/- 0.35   0.000% *  0.2715% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   LYS+ 111  24.30 +/- 0.45   0.000% *  0.0674% (0.22   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   LYS+ 111  25.90 +/- 0.48   0.000% *  0.0842% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1725 (1.53, 1.53, 33.52 ppm):
    1 diagonal assignment:
    *     HB3   LYS+ 111 - HB3   LYS+ 111  (1.00)  kept
 
    Peak 1743 (1.09, 1.09, 22.46 ppm):
    2 diagonal assignments:
    *     QG1   VAL  107 - QG1   VAL  107  (1.00)  kept
          QG2   VAL   24 - QG2   VAL   24  (0.06)  kept
 
    Peak 1745 (1.15, 1.15, 21.16 ppm):
    1 diagonal assignment:
    *     QG2   VAL  107 - QG2   VAL  107  (1.00)  kept
 
    Peak 1747 (1.09, 4.48, 62.32 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 3.63, residual support = 53.5:
    * O T QG1   VAL  107 - HA    VAL  107   2.17 +/- 0.06  99.975% * 98.7524% (1.00   3.63  53.49) = 100.000%  kept
          HD3   LYS+ 112 - HA    VAL  107  11.52 +/- 0.76   0.005% *  0.3948% (0.73   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107   9.68 +/- 0.47   0.014% *  0.0839% (0.15   0.02   0.02) =   0.000%
          HG    LEU   63 - HA    VAL  107  11.23 +/- 0.48   0.005% *  0.0839% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   24 - HA    VAL  107  18.87 +/- 1.07   0.000% *  0.4542% (0.84   0.02   0.02) =   0.000%
        T QG2   VAL   24 - HA    VAL  107  18.85 +/- 0.53   0.000% *  0.1356% (0.25   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  20.09 +/- 0.35   0.000% *  0.0952% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.90 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 +/- 0.06  99.911% * 98.5100% (1.00   3.31  53.49) = 100.000%  kept
          HG13  ILE  103 - HA    VAL  107   9.84 +/- 0.50   0.031% *  0.4319% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HA    VAL  107  10.65 +/- 0.82   0.022% *  0.5491% (0.92   0.02   0.02) =   0.000%
          HG13  ILE  119 - HA    VAL  107   9.68 +/- 0.47   0.034% *  0.0918% (0.15   0.02   0.02) =   0.000%
          QB    ALA   20 - HA    VAL  107  17.92 +/- 0.29   0.001% *  0.3367% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   31 - HA    VAL  107  20.09 +/- 0.35   0.000% *  0.0805% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 0.987, support = 3.13, residual support = 38.5:
    * O T HB3   ASP- 105 - HA    ASP- 105   3.04 +/- 0.03  90.643% * 43.6815% (1.00   3.00  40.54) =  90.069%  kept
          QB    LYS+ 106 - HA    ASP- 105   4.56 +/- 0.15   8.062% * 54.1167% (0.87   4.28  19.68) =   9.925%  kept
          HB    ILE  103 - HA    ASP- 105   6.62 +/- 0.20   0.869% *  0.2886% (0.99   0.02   4.10) =   0.006%
          HG12  ILE  103 - HA    ASP- 105   7.57 +/- 0.33   0.396% *  0.0449% (0.15   0.02   4.10) =   0.000%
          HG    LEU  123 - HA    ASP- 105  13.42 +/- 0.69   0.013% *  0.0993% (0.34   0.02   0.02) =   0.000%
          HG3   PRO   68 - HA    ASP- 105  18.16 +/- 2.33   0.003% *  0.2854% (0.98   0.02   0.02) =   0.000%
          HB    ILE   56 - HA    ASP- 105  15.78 +/- 0.34   0.005% *  0.1306% (0.45   0.02   0.02) =   0.000%
          HB3   GLN   90 - HA    ASP- 105  18.83 +/- 0.99   0.002% *  0.2755% (0.95   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    ASP- 105  19.38 +/- 0.39   0.001% *  0.2854% (0.98   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    ASP- 105  17.61 +/- 0.56   0.002% *  0.0899% (0.31   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    ASP- 105  20.99 +/- 0.38   0.001% *  0.2612% (0.90   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HA    ASP- 105  23.30 +/- 0.90   0.000% *  0.2906% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    ASP- 105  19.75 +/- 0.48   0.001% *  0.0993% (0.34   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    ASP- 105  19.33 +/- 0.30   0.001% *  0.0510% (0.18   0.02   0.02) =   0.000%
    Distance limit 5.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1751 (2.23, 1.86, 47.73 ppm):
    9 chemical-shift based assignments, quality = 0.946, support = 3.1, residual support = 40.5:
    * O T HB2   ASP- 105 - HB3   ASP- 105   1.75 +/- 0.00  99.978% * 97.1834% (0.95   3.10  40.54) = 100.000%  kept
          HB2   MET   96 - HB3   ASP- 105   8.42 +/- 0.42   0.009% *  0.4019% (0.61   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   ASP- 105   8.15 +/- 0.45   0.010% *  0.1160% (0.18   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   ASP- 105  13.58 +/- 0.53   0.000% *  0.6495% (0.98   0.02   0.02) =   0.000%
          HB    VAL   70 - HB3   ASP- 105  10.66 +/- 0.44   0.002% *  0.1475% (0.22   0.02   0.02) =   0.000%
          HG3   MET   92 - HB3   ASP- 105  18.45 +/- 0.76   0.000% *  0.4019% (0.61   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   ASP- 105  21.11 +/- 0.51   0.000% *  0.6611% (1.00   0.02   0.02) =   0.000%
          QG    GLN   17 - HB3   ASP- 105  17.57 +/- 0.44   0.000% *  0.1160% (0.18   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   ASP- 105  22.98 +/- 0.54   0.000% *  0.3225% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.53 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 = 0.821, support = 4.93, residual support = 139.7:
    * O   HG2   LYS+ 106 - HG3   LYS+ 106   1.75 +/- 0.00  49.999% * 64.2100% (1.00   4.76 130.11) =  65.161%  kept
      O   HG2   LYS+  33 - HG3   LYS+  33   1.75 +/- 0.00  49.999% * 34.3301% (0.49   5.25 157.76) =  34.839%  kept
          HG2   LYS+ 106 - HG3   LYS+ 102  11.16 +/- 0.94   0.001% *  0.0491% (0.18   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 106  11.88 +/- 0.28   0.001% *  0.0416% (0.15   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 106  18.41 +/- 0.86   0.000% *  0.2672% (0.99   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  65  12.38 +/- 1.02   0.000% *  0.0198% (0.07   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 106  19.92 +/- 1.21   0.000% *  0.2060% (0.76   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+  65  17.99 +/- 1.29   0.000% *  0.0865% (0.32   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 106  16.65 +/- 1.22   0.000% *  0.0472% (0.18   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  33  20.67 +/- 1.11   0.000% *  0.1698% (0.63   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  33  21.10 +/- 1.22   0.000% *  0.1713% (0.64   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HG3   LYS+ 102  18.28 +/- 1.35   0.000% *  0.0375% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+ 106 - HG3   LYS+  65  21.84 +/- 1.04   0.000% *  0.1131% (0.42   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+  33  17.89 +/- 0.46   0.000% *  0.0300% (0.11   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+  65  23.19 +/- 0.47   0.000% *  0.1121% (0.42   0.02   0.02) =   0.000%
          QG    LYS+  81 - HG3   LYS+ 102  22.93 +/- 0.67   0.000% *  0.0487% (0.18   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  65  19.95 +/- 0.83   0.000% *  0.0175% (0.06   0.02   0.02) =   0.000%
        T HB3   LYS+ 111 - HG3   LYS+ 102  22.45 +/- 1.14   0.000% *  0.0076% (0.03   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG3   LYS+  33  27.80 +/- 0.55   0.000% *  0.0264% (0.10   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HG3   LYS+ 102  23.53 +/- 1.14   0.000% *  0.0086% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1762 (1.37, 1.37, 25.37 ppm):
    4 diagonal assignments:
    *     HG3   LYS+ 106 - HG3   LYS+ 106  (1.00)  kept
          HG3   LYS+  33 - HG3   LYS+  33  (0.51)  kept
          HG3   LYS+  65 - HG3   LYS+  65  (0.36)  kept
          HG3   LYS+ 102 - HG3   LYS+ 102  (0.17)  kept
 
    Peak 1770 (1.82, 1.82, 28.60 ppm):
    1 diagonal assignment:
    *     HG12  ILE  103 - HG12  ILE  103  (0.64)  kept
 
    Peak 1771 (1.82, 1.16, 28.60 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 4.3, residual support = 139.1:
    * O T HG12  ILE  103 - HG13  ILE  103   1.75 +/- 0.00  99.954% * 96.7462% (0.80   4.30 139.10) = 100.000%  kept
          QB    LYS+ 102 - HG13  ILE  103   6.59 +/- 0.32   0.037% *  0.4077% (0.73   0.02  22.69) =   0.000%
          HB    VAL   41 - HG13  ILE  103   9.02 +/- 1.42   0.008% *  0.5183% (0.92   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG13  ILE  103  13.44 +/- 0.43   0.001% *  0.3179% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE  103  16.20 +/- 0.59   0.000% *  0.5602% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE  103  16.11 +/- 0.38   0.000% *  0.5183% (0.92   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE  103  18.18 +/- 0.77   0.000% *  0.2954% (0.53   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE  103  18.67 +/- 0.38   0.000% *  0.3405% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE  103  20.38 +/- 0.43   0.000% *  0.2954% (0.53   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1773 (1.16, 1.16, 28.60 ppm):
    1 diagonal assignment:
    *     HG13  ILE  103 - HG13  ILE  103  (1.00)  kept
 
    Peak 1786 (1.81, 1.81, 34.65 ppm):
    2 diagonal assignments:
    *     QB    LYS+ 102 - QB    LYS+ 102  (1.00)  kept
          HB    VAL   41 - HB    VAL   41  (0.22)  kept
 
    Peak 1825 (0.59, 0.59, 24.39 ppm):
    1 diagonal assignment:
    *     QD2   LEU   80 - QD2   LEU   80  (1.00)  kept
 
    Peak 1828 (1.44, 1.44, 26.98 ppm):
    4 diagonal assignments:
    *     HG    LEU   80 - HG    LEU   80  (0.42)  kept
          HG    LEU   73 - HG    LEU   73  (0.24)  kept
          HG    LEU   40 - HG    LEU   40  (0.24)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.12)  kept
 
    Peak 1835 (2.14, 2.14, 31.53 ppm):
    2 diagonal assignments:
    *     HB3   GLU-  79 - HB3   GLU-  79  (1.00)  kept
          HB2   GLN   90 - HB2   GLN   90  (0.23)  kept
 
    Peak 1858 (1.48, 1.41, 36.69 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.53, residual support = 170.1:
    * O   HB2   LYS+  74 - HB3   LYS+  74   1.75 +/- 0.00  99.965% * 98.1283% (0.80   5.53 170.13) = 100.000%  kept
          QG2   THR   26 - HB3   LYS+  74   6.81 +/- 0.55   0.032% *  0.2334% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HB3   LYS+  74  11.63 +/- 1.19   0.001% *  0.1989% (0.45   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB3   LYS+  74  15.87 +/- 0.99   0.000% *  0.3978% (0.90   0.02   0.02) =   0.000%
          HG    LEU   67 - HB3   LYS+  74  14.21 +/- 1.19   0.000% *  0.1106% (0.25   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   LYS+  74  16.83 +/- 1.10   0.000% *  0.3047% (0.69   0.02   0.02) =   0.000%
          HG    LEU   40 - HB3   LYS+  74  14.67 +/- 1.44   0.000% *  0.0777% (0.18   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   LYS+  74  18.59 +/- 0.52   0.000% *  0.3047% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  115 - HB3   LYS+  74  15.04 +/- 0.56   0.000% *  0.0777% (0.18   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   LYS+  74  21.76 +/- 0.96   0.000% *  0.1665% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1859 (1.41, 1.41, 36.69 ppm):
    1 diagonal assignment:
    *     HB3   LYS+  74 - HB3   LYS+  74  (1.00)  kept
 
    Peak 1861 (1.53, 1.53, 30.09 ppm):
    2 diagonal assignments:
    *     HD3   LYS+  74 - HD3   LYS+  74  (1.00)  kept
          HD2   LYS+ 121 - HD2   LYS+ 121  (0.03)  kept
 
    Peak 1884 (1.22, -0.08, 26.04 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 5.12, residual support = 214.5:
    * O T HG12  ILE   89 - HG13  ILE   89   1.75 +/- 0.00  99.997% * 98.7382% (1.00   5.12 214.55) = 100.000%  kept
          HG2   LYS+  74 - HG13  ILE   89  10.42 +/- 0.63   0.002% *  0.1730% (0.45   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG13  ILE   89  15.31 +/- 0.51   0.000% *  0.3824% (0.99   0.02   0.02) =   0.000%
          HG    LEU   71 - HG13  ILE   89  16.76 +/- 1.08   0.000% *  0.1878% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   71 - HG13  ILE   89  16.16 +/- 0.93   0.000% *  0.1448% (0.38   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - HG13  ILE   89  18.13 +/- 0.64   0.000% *  0.1586% (0.41   0.02   0.02) =   0.000%
          HG13  ILE   19 - HG13  ILE   89  16.93 +/- 0.48   0.000% *  0.0962% (0.25   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG13  ILE   89  20.33 +/- 0.70   0.000% *  0.1191% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1885 (-0.08, -0.08, 26.04 ppm):
    1 diagonal assignment:
    *     HG13  ILE   89 - HG13  ILE   89  (1.00)  kept
 
    Peak 1887 (0.09, 0.09, 9.19 ppm):
    1 diagonal assignment:
    *     QD1   ILE   89 - QD1   ILE   89  (1.00)  kept
 
    Peak 1902 (1.44, 1.44, 27.31 ppm):
    5 diagonal assignments:
    *     HG    LEU   73 - HG    LEU   73  (1.00)  kept
          HG    LEU   40 - HG    LEU   40  (0.13)  kept
          HG12  ILE   19 - HG12  ILE   19  (0.11)  kept
          HG    LEU   80 - HG    LEU   80  (0.05)  kept
          HG    LEU  115 - HG    LEU  115  (0.00)  kept
 
    Peak 1909 (1.24, 1.24, 27.63 ppm):
    2 diagonal assignments:
    *     HG    LEU   71 - HG    LEU   71  (1.00)  kept
          HG13  ILE   19 - HG13  ILE   19  (0.13)  kept
 
    Peak 1923 (1.64, 1.64, 16.31 ppm):
    1 diagonal assignment:
    *     QB    ALA   57 - QB    ALA   57  (1.00)  kept
 
    Peak 1924 (4.26, 1.64, 16.31 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 23.2:
    * O T HA    ALA   57 - QB    ALA   57   2.13 +/- 0.01  99.945% * 97.3811% (1.00   2.81  23.20) = 100.000%  kept
          HA1   GLY   51 - QB    ALA   57   8.11 +/- 0.30   0.034% *  0.6014% (0.87   0.02   0.02) =   0.000%
          HA    ASP-  44 - QB    ALA   57   9.19 +/- 0.45   0.016% *  0.1214% (0.18   0.02   0.02) =   0.000%
          HB    THR   77 - QB    ALA   57  12.66 +/- 0.56   0.002% *  0.1544% (0.22   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA   57  15.71 +/- 0.39   0.001% *  0.4763% (0.69   0.02   0.02) =   0.000%
          HA    SER  117 - QB    ALA   57  14.71 +/- 0.31   0.001% *  0.2602% (0.38   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA   57  20.07 +/- 0.29   0.000% *  0.5299% (0.76   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA   57  18.31 +/- 0.27   0.000% *  0.2140% (0.31   0.02   0.02) =   0.000%
          HA    SER   85 - QB    ALA   57  17.97 +/- 0.41   0.000% *  0.1544% (0.22   0.02   0.02) =   0.000%
          HA    MET   11 - QB    ALA   57  23.57 +/- 2.15   0.000% *  0.1070% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1926 (4.26, 4.26, 57.40 ppm):
    1 diagonal assignment:
    *     HA    ALA   57 - HA    ALA   57  (1.00)  kept
 
    Peak 1933 (0.79, 0.79, 15.02 ppm):
    1 diagonal assignment:
    *     QD1   ILE   56 - QD1   ILE   56  (0.89)  kept
 
    Peak 1940 (4.27, 4.27, 48.66 ppm):
    1 diagonal assignment:
    *     HA1   GLY   51 - HA1   GLY   51  (1.00)  kept
 
    Peak 1941 (4.27, 3.94, 48.66 ppm):
    10 chemical-shift based assignments, quality = 1.0, support = 2.81, residual support = 9.59:
    * O T HA1   GLY   51 - HA2   GLY   51   1.75 +/- 0.00  99.995% * 96.3542% (1.00   2.81   9.59) = 100.000%  kept
          HA    ALA   57 - HA2   GLY   51   9.72 +/- 0.31   0.004% *  0.5951% (0.87   0.02   0.02) =   0.000%
          HB    THR   77 - HA2   GLY   51  12.86 +/- 0.31   0.001% *  0.3339% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA2   GLY   51  17.05 +/- 0.52   0.000% *  0.6490% (0.95   0.02   0.02) =   0.000%
          HA    ASP-  44 - HA2   GLY   51  14.89 +/- 0.28   0.000% *  0.2820% (0.41   0.02   0.02) =   0.000%
        T HA    SER   85 - HA2   GLY   51  20.26 +/- 0.54   0.000% *  0.3339% (0.49   0.02   0.02) =   0.000%
        T HA    ILE  103 - HA2   GLY   51  26.17 +/- 0.16   0.000% *  0.4161% (0.61   0.02   0.02) =   0.000%
        T HA    THR   39 - HA2   GLY   51  30.66 +/- 0.27   0.000% *  0.6725% (0.98   0.02   0.02) =   0.000%
        T HA    SER  117 - HA2   GLY   51  22.74 +/- 0.29   0.000% *  0.1059% (0.15   0.02   0.02) =   0.000%
          HA    MET   11 - HA2   GLY   51  34.32 +/- 3.46   0.000% *  0.2575% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 1942 (3.94, 3.94, 48.66 ppm):
    1 diagonal assignment:
    *     HA2   GLY   51 - HA2   GLY   51  (1.00)  kept
 
    Peak 1975 (0.76, 0.76, 22.78 ppm):
    3 diagonal assignments:
    *     QG1   VAL   41 - QG1   VAL   41  (1.00)  kept
          QG2   VAL   18 - QG2   VAL   18  (0.58)  kept
          QD2   LEU  104 - QD2   LEU  104  (0.01)  kept
 
    Peak 1986 (2.86, 2.86, 38.12 ppm):
    1 diagonal assignment:
    *     HB3   ASN   35 - HB3   ASN   35  (1.00)  kept
 
    Peak 2005 (2.11, 2.11, 32.16 ppm):
    2 diagonal assignments:
    *     HB    VAL   24 - HB    VAL   24  (1.00)  kept
          HB2   PRO   68 - HB2   PRO   68  (0.51)  kept
 
    Peak 2007 (1.07, 1.10, 23.10 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 2.7, residual support = 65.6:
    * O T QG2   VAL   24 - QG1   VAL   24   2.07 +/- 0.03  99.999% * 98.6698% (1.00   2.70  65.56) = 100.000%  kept
          HG    LEU   63 - QG1   VAL   24  19.96 +/- 0.80   0.000% *  0.7050% (0.97   0.02   0.02) =   0.000%
        T QG1   VAL  107 - QG1   VAL   24  16.38 +/- 0.94   0.000% *  0.1822% (0.25   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - QG1   VAL   24  23.88 +/- 1.31   0.000% *  0.4431% (0.61   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2010 (4.81, 4.81, 72.92 ppm):
    1 diagonal assignment:
    *     HB    THR   23 - HB    THR   23  (1.00)  kept
 
    Peak 2025 (0.69, 0.69, 16.64 ppm):
    1 diagonal assignment:
    *     QG2   ILE   19 - QG2   ILE   19  (1.00)  kept
 
    Peak 2031 (3.96, 3.96, 45.84 ppm):
    1 diagonal assignment:
    *     HA2   GLY   16 - HA2   GLY   16  (1.00)  kept
 
    Peak 2038 (1.46, 1.46, 26.98 ppm):
    3 diagonal assignments:
    *     HG    LEU   40 - HG    LEU   40  (1.00)  kept
          HG    LEU  115 - HG    LEU  115  (0.35)  kept
          HG    LEU   73 - HG    LEU   73  (0.13)  kept
 
    Peak 2039 (0.98, 0.98, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   40 - QD2   LEU   40  (1.00)  kept
 
    Peak 2040 (0.98, 0.98, 27.63 ppm):
    1 diagonal assignment:
    *     QD1   LEU   67 - QD1   LEU   67  (1.00)  kept
 
    Peak 2045 (1.35, 1.35, 27.95 ppm):
    1 diagonal assignment:
    *     HG    LEU   98 - HG    LEU   98  (1.00)  kept
 
    Peak 2047 (4.99, 4.99, 52.22 ppm):
    2 diagonal assignments:
    *     HA    LEU   67 - HA    LEU   67  (1.00)  kept
          HA    ASP-  76 - HA    ASP-  76  (0.04)  kept
 
    Peak 2050 (0.91, 0.91, 26.66 ppm):
    1 diagonal assignment:
    *     QD1   LEU   40 - QD1   LEU   40  (1.00)  kept
 
    Peak 2051 (1.98, 1.98, 42.52 ppm):
    1 diagonal assignment:
    *     HB2   LEU   67 - HB2   LEU   67  (0.53)  kept
 
    Peak 2052 (1.43, 1.43, 42.52 ppm):
    1 diagonal assignment:
    *     HB3   LEU   67 - HB3   LEU   67  (0.89)  kept
 
    Peak 2055 (1.46, 1.46, 26.01 ppm):
    2 diagonal assignments:
    *     HG    LEU   67 - HG    LEU   67  (1.00)  kept
          QG    LYS+  66 - QG    LYS+  66  (0.03)  kept
 
    Peak 2056 (0.92, 0.92, 24.07 ppm):
    1 diagonal assignment:
    *     QD2   LEU   67 - QD2   LEU   67  (1.00)  kept
 
    Peak 2057 (3.84, 3.84, 51.93 ppm):
    1 diagonal assignment:
    *     HD3   PRO   52 - HD3   PRO   52  (1.00)  kept
 
    Peak 2062 (3.33, 3.33, 50.60 ppm):
    2 diagonal assignments:
    *     HD3   PRO   68 - HD3   PRO   68  (1.00)  kept
          HD3   PRO   93 - HD3   PRO   93  (0.18)  kept
 
    Peak 2063 (3.75, 3.75, 50.60 ppm):
    2 diagonal assignments:
    *     HD2   PRO   68 - HD2   PRO   68  (1.00)  kept
          HD3   PRO   58 - HD3   PRO   58  (0.02)  kept
 
    Peak 2067 (3.72, 3.72, 50.93 ppm):
    2 diagonal assignments:
    *     HD3   PRO   58 - HD3   PRO   58  (0.89)  kept
          HD2   PRO   68 - HD2   PRO   68  (0.01)  kept
 
    Peak 2077 (1.98, 1.98, 28.60 ppm):
    1 diagonal assignment:
    *     HG3   PRO   58 - HG3   PRO   58  (1.00)  kept
 
    Peak 2082 (1.36, 1.36, 34.10 ppm):
    1 diagonal assignment:
    *     HB3   PRO   93 - HB3   PRO   93  (1.00)  kept
 
    Peak 2086 (1.68, 1.68, 24.81 ppm):
    1 diagonal assignment:
    *     HG3   PRO   93 - HG3   PRO   93  (1.00)  kept
 
    Peak 2090 (1.98, 1.98, 27.31 ppm):
    1 diagonal assignment:
    *     HG2   PRO   68 - HG2   PRO   68  (0.47)  kept
 
    Peak 2091 (1.86, 1.86, 27.31 ppm):
    2 diagonal assignments:
    *     HG3   PRO   68 - HG3   PRO   68  (1.00)  kept
          HG2   ARG+  54 - HG2   ARG+  54  (0.26)  kept
 
    Peak 2094 (2.02, 2.02, 31.99 ppm):
    1 diagonal assignment:
    *     HB3   PRO   68 - HB3   PRO   68  (1.00)  kept
 
    Peak 2097 (2.12, 2.12, 38.95 ppm):
    1 diagonal assignment:
    *     HG3   GLU- 100 - HG3   GLU- 100  (1.00)  kept
 
    Peak 2111 (1.95, 1.95, 30.44 ppm):
    1 diagonal assignment:
    *     HB3   ARG+  54 - HB3   ARG+  54  (1.00)  kept
 
    Peak 2115 (3.25, 3.25, 43.59 ppm):
    1 diagonal assignment:
    *     HD3   ARG+  54 - HD3   ARG+  54  (1.00)  kept
 
    Peak 2117 (1.86, 1.86, 27.63 ppm):
    2 diagonal assignments:
    *     HG2   ARG+  54 - HG2   ARG+  54  (1.00)  kept
          HG3   PRO   68 - HG3   PRO   68  (0.26)  kept
 
    Peak 2119 (1.60, 1.60, 27.63 ppm):
    1 diagonal assignment:
    *     HG3   ARG+  54 - HG3   ARG+  54  (1.00)  kept
 
    Peak 2122 (2.15, 2.15, 30.04 ppm):
    2 diagonal assignments:
    *     QB    GLU-  36 - QB    GLU-  36  (1.00)  kept
          HB3   GLU-  29 - HB3   GLU-  29  (0.27)  kept
 
    Peak 2133 (2.73, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 6.37, residual support = 160.6:
    * O T HG2   GLN   30 - HG3   GLN   30   1.75 +/- 0.00  99.987% * 99.1368% (1.00   6.37 160.63) = 100.000%  kept
          HB3   ASN   28 - HG3   GLN   30   8.25 +/- 0.70   0.011% *  0.2872% (0.92   0.02   6.34) =   0.000%
          QE    LYS+ 121 - HB2   LYS+ 111  12.70 +/- 1.55   0.001% *  0.0430% (0.14   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HG3   GLN   30  22.66 +/- 1.07   0.000% *  0.2137% (0.69   0.02   0.02) =   0.000%
          HB3   HIS  122 - HG3   GLN   30  20.16 +/- 0.82   0.000% *  0.1061% (0.34   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   LYS+ 111  15.50 +/- 0.43   0.000% *  0.0213% (0.07   0.02   0.02) =   0.000%
          QE    LYS+ 121 - HB2   PRO   93  17.45 +/- 1.06   0.000% *  0.0167% (0.05   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   PRO   93  18.99 +/- 0.76   0.000% *  0.0242% (0.08   0.02   0.02) =   0.000%
          HB3   HIS  122 - HB2   PRO   93  16.93 +/- 0.32   0.000% *  0.0083% (0.03   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   PRO   93  22.24 +/- 0.79   0.000% *  0.0224% (0.07   0.02   0.02) =   0.000%
        T HG2   GLN   30 - HB2   LYS+ 111  26.81 +/- 0.69   0.000% *  0.0625% (0.20   0.02   0.02) =   0.000%
          HB3   ASN   28 - HB2   LYS+ 111  29.39 +/- 0.99   0.000% *  0.0577% (0.19   0.02   0.02) =   0.000%
    Distance limit 2.61 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 = 157.8:
    * O   QE    LYS+  33 - HG2   LYS+  33   2.85 +/- 0.33  95.245% * 96.1744% (1.00   4.66 157.76) =  99.994%  kept
          HB2   ASP-  78 - QG    LYS+  81   5.14 +/- 0.30   3.220% *  0.1277% (0.31   0.02   0.66) =   0.004%
          HB2   ASN   35 - HG2   LYS+  33   7.24 +/- 0.57   0.384% *  0.1406% (0.34   0.02   0.79) =   0.001%
          HB2   ASP-  76 - QG    LYS+  81   6.43 +/- 0.46   0.943% *  0.0440% (0.11   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+  33  10.46 +/- 0.77   0.061% *  0.4042% (0.98   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QG    LYS+  81   9.38 +/- 0.22   0.093% *  0.1356% (0.33   0.02   0.02) =   0.000%
          HB2   ASN   28 - QG    LYS+  81  13.53 +/- 0.48   0.010% *  0.1935% (0.47   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+ 106  14.24 +/- 1.19   0.009% *  0.1718% (0.42   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+  33  16.82 +/- 1.74   0.004% *  0.3698% (0.90   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+  33  12.40 +/- 1.69   0.018% *  0.0636% (0.15   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG2   LYS+  33  18.13 +/- 0.63   0.002% *  0.2832% (0.69   0.02   0.02) =   0.000%
          QE    LYS+  33 - QG    LYS+  81  18.58 +/- 1.15   0.001% *  0.1974% (0.48   0.02   0.02) =   0.000%
          QE    LYS+  33 - HG2   LYS+ 106  20.18 +/- 1.11   0.001% *  0.2501% (0.61   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG2   LYS+ 106  21.29 +/- 1.61   0.001% *  0.2451% (0.59   0.02   0.02) =   0.000%
          QE    LYS+  65 - HG2   LYS+ 106  21.07 +/- 1.08   0.001% *  0.2243% (0.54   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+  33  18.57 +/- 0.63   0.002% *  0.0918% (0.22   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG2   LYS+ 106  18.70 +/- 1.44   0.002% *  0.0853% (0.21   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+  33  22.71 +/- 0.54   0.000% *  0.2667% (0.65   0.02   0.02) =   0.000%
          QE    LYS+  65 - QG    LYS+  81  21.40 +/- 0.75   0.001% *  0.1770% (0.43   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG2   LYS+ 106  22.25 +/- 1.15   0.001% *  0.1618% (0.39   0.02   0.02) =   0.000%
          HB2   ASN   35 - QG    LYS+  81  19.78 +/- 0.57   0.001% *  0.0673% (0.16   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HG2   LYS+ 106  20.28 +/- 1.19   0.001% *  0.0557% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   69 - HG2   LYS+ 106  20.19 +/- 1.28   0.001% *  0.0386% (0.09   0.02   0.02) =   0.000%
          HB2   ASN   69 - QG    LYS+  81  26.82 +/- 0.59   0.000% *  0.0305% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2142 (1.55, 1.55, 25.23 ppm):
    3 diagonal assignments:
    *     HG2   LYS+  33 - HG2   LYS+  33  (1.00)  kept
          HG2   LYS+ 106 - HG2   LYS+ 106  (0.46)  kept
          QG    LYS+  81 - QG    LYS+  81  (0.40)  kept
 
    Peak 2144 (1.55, 1.86, 32.27 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 5.68, residual support = 157.8:
    * O T HG2   LYS+  33 - QB    LYS+  33   2.24 +/- 0.07  99.997% * 98.8290% (1.00   5.68 157.76) = 100.000%  kept
          HG    LEU  104 - QB    LYS+  33  14.86 +/- 0.64   0.001% *  0.1307% (0.38   0.02   0.02) =   0.000%
          HD3   LYS+  74 - QB    LYS+  33  15.78 +/- 0.29   0.001% *  0.1832% (0.53   0.02   0.02) =   0.000%
        T QG    LYS+  81 - QB    LYS+  33  17.97 +/- 0.48   0.000% *  0.2909% (0.84   0.02   0.02) =   0.000%
        T HG2   LYS+ 106 - QB    LYS+  33  19.26 +/- 1.24   0.000% *  0.2661% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+ 121 - QB    LYS+  33  20.64 +/- 0.79   0.000% *  0.1307% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - QB    LYS+  33  25.13 +/- 0.37   0.000% *  0.1695% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2145 (3.02, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.999, support = 4.58, residual support = 209.5:
    *     QE    LYS+  38 - HA    LYS+  38   4.57 +/- 0.02  63.702% * 98.9476% (1.00   4.58 209.68) =  99.915%  kept
          QE    LYS+  99 - HA    LYS+  38   6.33 +/- 0.80  11.996% *  0.3874% (0.90   0.02   0.02) =   0.074%
          QE    LYS+  38 - HA    GLU- 100   6.43 +/- 0.74  10.045% *  0.0261% (0.06   0.02   0.02) =   0.004%
          QE    LYS+  99 - HA    GLU- 100   6.18 +/- 0.35  10.940% *  0.0234% (0.05   0.02  40.20) =   0.004%
          QE    LYS+ 102 - HA    LYS+  38  11.43 +/- 0.88   0.288% *  0.3988% (0.92   0.02   0.02) =   0.002%
          QE    LYS+ 102 - HA    GLU- 100   7.90 +/- 0.64   2.704% *  0.0241% (0.06   0.02   0.02) =   0.001%
          HB2   PHE   97 - HA    LYS+  38  14.01 +/- 0.33   0.077% *  0.0855% (0.20   0.02   0.02) =   0.000%
        T HB3   TRP   27 - HA    LYS+  38  16.43 +/- 0.29   0.030% *  0.0962% (0.22   0.02   0.02) =   0.000%
          HB2   PHE   97 - HA    GLU- 100  12.01 +/- 0.20   0.194% *  0.0052% (0.01   0.02   0.02) =   0.000%
        T HB3   TRP   27 - HA    GLU- 100  17.22 +/- 0.95   0.023% *  0.0058% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.77 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 = 0.917, support = 4.66, residual support = 160.3:
    * O T QE    LYS+  65 - HG3   LYS+  65   2.37 +/- 0.48  62.108% * 49.5235% (1.00   4.29 161.77) =  63.176%  kept
      O T QE    LYS+  33 - HG3   LYS+  33   2.71 +/- 0.60  37.763% * 47.4748% (0.77   5.31 157.76) =  36.823%  kept
          HB2   ASN   35 - HG3   LYS+  33   6.70 +/- 0.29   0.114% *  0.1210% (0.52   0.02   0.79) =   0.000%
          HB2   ASN   28 - HG3   LYS+  33  10.81 +/- 1.66   0.009% *  0.1926% (0.83   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 102  13.40 +/- 1.34   0.002% *  0.1141% (0.49   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+  65  16.96 +/- 2.00   0.001% *  0.2073% (0.90   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 102  16.23 +/- 0.84   0.001% *  0.1736% (0.75   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+ 106  14.36 +/- 0.84   0.001% *  0.0895% (0.39   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+  33  17.65 +/- 1.72   0.000% *  0.1996% (0.86   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 102  17.62 +/- 1.38   0.000% *  0.1687% (0.73   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  33  18.56 +/- 1.12   0.000% *  0.1842% (0.80   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 102  19.79 +/- 1.14   0.000% *  0.1815% (0.79   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+ 106  18.00 +/- 0.96   0.000% *  0.0588% (0.25   0.02   0.02) =   0.000%
        T QE    LYS+  33 - HG3   LYS+ 106  19.45 +/- 0.83   0.000% *  0.0870% (0.38   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 106  20.35 +/- 0.93   0.000% *  0.0970% (0.42   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+  65  24.27 +/- 0.71   0.000% *  0.2230% (0.97   0.02   0.02) =   0.000%
          HB2   ASN   28 - HG3   LYS+ 106  20.86 +/- 1.05   0.000% *  0.0936% (0.41   0.02   0.02) =   0.000%
          HB2   ASN   35 - HG3   LYS+  65  23.22 +/- 0.88   0.000% *  0.1402% (0.61   0.02   0.02) =   0.000%
        T QE    LYS+  65 - HG3   LYS+ 102  25.19 +/- 1.33   0.000% *  0.1881% (0.81   0.02   0.02) =   0.000%
          HB2   ASP-  86 - HG3   LYS+  65  26.31 +/- 0.43   0.000% *  0.2133% (0.92   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  65  23.04 +/- 0.72   0.000% *  0.0867% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+  33  23.78 +/- 1.23   0.000% *  0.0749% (0.32   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 106  22.25 +/- 1.04   0.000% *  0.0364% (0.16   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HG3   LYS+ 102  28.50 +/- 0.65   0.000% *  0.0706% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 4.7, residual support = 88.1:
    * O T HB2   GLU-  29 - HG3   GLU-  29   2.63 +/- 0.28  99.973% * 97.9557% (1.00   4.70  88.05) = 100.000%  kept
          QG    GLU-  14 - HG3   GLU-  29  13.27 +/- 2.33   0.013% *  0.1288% (0.31   0.02   0.02) =   0.000%
          QG    GLU-  15 - HG3   GLU-  29  13.84 +/- 1.60   0.006% *  0.0826% (0.20   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HG3   GLU-  29  16.49 +/- 0.50   0.002% *  0.1871% (0.45   0.02   0.02) =   0.000%
          HB3   PHE   72 - HG3   GLU-  29  16.15 +/- 0.81   0.002% *  0.1566% (0.38   0.02   0.02) =   0.000%
        T QG    GLN   90 - HG3   GLU-  29  19.23 +/- 2.02   0.001% *  0.1871% (0.45   0.02   0.02) =   0.000%
          HB2   ASP-  44 - HG3   GLU-  29  17.18 +/- 0.73   0.002% *  0.1160% (0.28   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HG3   GLU-  29  20.01 +/- 1.57   0.001% *  0.1566% (0.38   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HG3   GLU-  29  25.53 +/- 0.62   0.000% *  0.2866% (0.69   0.02   0.02) =   0.000%
          HG3   MET   92 - HG3   GLU-  29  27.05 +/- 1.30   0.000% *  0.4090% (0.98   0.02   0.02) =   0.000%
          HG12  ILE  119 - HG3   GLU-  29  27.15 +/- 1.03   0.000% *  0.3341% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 6 structures by 0.24 A, kept.
 
    Peak 2179 (2.43, 2.16, 36.74 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 88.1:
    * O T HG2   GLU-  29 - HG3   GLU-  29   1.75 +/- 0.00 100.000% * 98.5140% (1.00   4.43  88.05) = 100.000%  kept
          HB3   ASP-  86 - HG3   GLU-  29  16.13 +/- 0.50   0.000% *  0.4297% (0.97   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   GLU-  29  18.08 +/- 0.45   0.000% *  0.2880% (0.65   0.02   0.02) =   0.000%
          HG3   MET   96 - HG3   GLU-  29  19.09 +/- 0.43   0.000% *  0.0991% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HG3   GLU-  29  26.51 +/- 0.96   0.000% *  0.2701% (0.61   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HG3   GLU-  29  26.87 +/- 1.02   0.000% *  0.2880% (0.65   0.02   0.02) =   0.000%
          HB    VAL  107 - HG3   GLU-  29  24.52 +/- 0.57   0.000% *  0.1110% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2192 (2.21, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 4.31, residual support = 83.8:
    * O T QG    GLN   17 - HB3   GLN   17   2.42 +/- 0.07  99.987% * 97.6147% (0.76   4.31  83.81) = 100.000%  kept
        T HB    VAL   70 - HB3   GLN   17  11.28 +/- 0.76   0.011% *  0.4947% (0.84   0.02   0.02) =   0.000%
          HB2   MET   96 - HB3   GLN   17  17.51 +/- 0.34   0.001% *  0.5870% (0.99   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   GLN   17  17.83 +/- 1.05   0.001% *  0.3353% (0.57   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HB3   GLN   17  19.76 +/- 0.94   0.000% *  0.3831% (0.65   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   GLN   17  21.14 +/- 1.40   0.000% *  0.3831% (0.65   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   GLN   17  20.90 +/- 0.44   0.000% *  0.2020% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2193 (1.79, 1.79, 31.50 ppm):
    1 diagonal assignment:
    *     HB3   GLN   17 - HB3   GLN   17  (1.00)  kept
 
    Peak 2195 (4.42, 1.79, 31.50 ppm):
    8 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.8:
    * O T HA    GLN   17 - HB3   GLN   17   2.61 +/- 0.27  96.855% * 97.7367% (1.00   4.00  83.81) =  99.991%  kept
          HA    GLU-  15 - HB3   GLN   17   5.33 +/- 0.59   3.063% *  0.2767% (0.57   0.02   0.67) =   0.009%
          HA    SER   13 - HB3   GLN   17   9.89 +/- 1.28   0.064% *  0.2767% (0.57   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   GLN   17  12.62 +/- 0.83   0.009% *  0.2571% (0.53   0.02   0.02) =   0.000%
          HA    VAL   42 - HB3   GLN   17  14.24 +/- 0.31   0.004% *  0.2964% (0.61   0.02   0.02) =   0.000%
          HA    THR   46 - HB3   GLN   17  17.36 +/- 0.76   0.001% *  0.4844% (0.99   0.02   0.02) =   0.000%
          HA    SER   37 - HB3   GLN   17  17.62 +/- 1.26   0.001% *  0.4887% (1.00   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   GLN   17  16.30 +/- 0.64   0.002% *  0.1834% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2196 (2.01, 1.79, 31.50 ppm):
    12 chemical-shift based assignments, quality = 1.0, support = 4.0, residual support = 83.8:
    * O T HB2   GLN   17 - HB3   GLN   17   1.75 +/- 0.00  99.893% * 96.8891% (1.00   4.00  83.81) = 100.000%  kept
        T QB    GLU-  15 - HB3   GLN   17   6.21 +/- 0.57   0.075% *  0.4844% (1.00   0.02   0.67) =   0.000%
          HB    ILE   19 - HB3   GLN   17   7.61 +/- 0.61   0.017% *  0.2743% (0.57   0.02   0.02) =   0.000%
        T HB3   PRO   68 - HB3   GLN   17  10.33 +/- 2.82   0.009% *  0.3879% (0.80   0.02   0.02) =   0.000%
          HG2   PRO   68 - HB3   GLN   17  11.36 +/- 2.15   0.003% *  0.2358% (0.49   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HB3   GLN   17  12.13 +/- 1.21   0.001% *  0.1992% (0.41   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   GLN   17  12.00 +/- 0.81   0.001% *  0.0848% (0.18   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   GLN   17  20.17 +/- 1.00   0.000% *  0.4583% (0.95   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   GLN   17  21.29 +/- 0.73   0.000% *  0.3134% (0.65   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   GLN   17  18.19 +/- 0.63   0.000% *  0.0848% (0.18   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   GLN   17  24.70 +/- 0.76   0.000% *  0.4802% (0.99   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   GLN   17  23.04 +/- 1.30   0.000% *  0.1079% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.43 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 = 0.876, support = 3.16, residual support = 46.5:
    * O T HB3   GLU-  14 - HA    GLU-  14   2.85 +/- 0.19  67.011% * 65.4443% (1.00   2.96  46.63) =  80.248%  kept
      O T HG3   MET   11 - HA    MET   11   3.31 +/- 0.62  32.847% * 32.8622% (0.37   4.00  46.12) =  19.752%  kept
        T HG3   MET   11 - HA    GLU-  14  10.05 +/- 1.33   0.064% *  0.4187% (0.95   0.02   0.02) =   0.000%
        T HB3   GLU-  14 - HA    MET   11  10.16 +/- 1.71   0.075% *  0.1737% (0.39   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    GLU-  14  17.49 +/- 1.32   0.001% *  0.2154% (0.49   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    GLU-  14  21.78 +/- 1.65   0.000% *  0.3839% (0.87   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    GLU-  14  21.08 +/- 1.11   0.000% *  0.1231% (0.28   0.02   0.02) =   0.000%
          HB2   LEU   40 - HA    MET   11  22.89 +/- 2.56   0.000% *  0.0845% (0.19   0.02   0.02) =   0.000%
          HB3   MET   96 - HA    MET   11  28.10 +/- 3.43   0.000% *  0.1507% (0.34   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    GLU-  14  28.98 +/- 1.90   0.000% *  0.0683% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   11  29.40 +/- 2.00   0.000% *  0.0483% (0.11   0.02   0.02) =   0.000%
          HB2   MET   92 - HA    MET   11  36.10 +/- 3.78   0.000% *  0.0268% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.14 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2207 (2.01, 2.01, 31.54 ppm):
    2 diagonal assignments:
    *     QB    GLU-  15 - QB    GLU-  15  (0.99)  kept
          HB2   GLN   17 - HB2   GLN   17  (0.98)  kept
 
    Peak 2213 (4.91, 4.91, 52.55 ppm):
    1 diagonal assignment:
    *     HA    MET   92 - HA    MET   92  (1.00)  kept
 
    Peak 2215 (1.89, 1.89, 34.43 ppm):
    1 diagonal assignment:
    *     HB2   MET   92 - HB2   MET   92  (1.00)  kept
 
    Peak 2216 (1.69, 1.69, 34.43 ppm):
    1 diagonal assignment:
    *     HB3   MET   92 - HB3   MET   92  (1.00)  kept
 
    Peak 2219 (1.89, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.87, residual support = 61.7:
    * O T HB2   MET   92 - HA    MET   92   2.91 +/- 0.14  99.515% * 97.6040% (1.00   3.87  61.72) =  99.999%  kept
          HB    ILE   56 - HA    MET   92   8.15 +/- 0.55   0.230% *  0.3468% (0.69   0.02   0.02) =   0.001%
          HB3   GLN   90 - HA    MET   92   8.45 +/- 0.58   0.193% *  0.0999% (0.20   0.02   0.02) =   0.000%
          QB    LYS+  81 - HA    MET   92  11.57 +/- 1.12   0.037% *  0.1259% (0.25   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HA    MET   92  12.27 +/- 0.40   0.019% *  0.1404% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   58 - HA    MET   92  16.24 +/- 0.34   0.003% *  0.4776% (0.95   0.02   0.02) =   0.000%
          HB3   GLN   30 - HA    MET   92  20.66 +/- 0.93   0.001% *  0.4873% (0.97   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HA    MET   92  29.68 +/- 0.65   0.000% *  0.4218% (0.84   0.02   0.02) =   0.000%
          QB    LYS+  33 - HA    MET   92  23.35 +/- 0.69   0.000% *  0.0779% (0.15   0.02   0.02) =   0.000%
          HB3   GLU-  14 - HA    MET   92  26.90 +/- 2.19   0.000% *  0.0779% (0.15   0.02   0.02) =   0.000%
          HG3   MET   11 - HA    MET   92  34.57 +/- 3.51   0.000% *  0.1404% (0.28   0.02   0.02) =   0.000%
    Distance limit 5.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2220 (1.69, 4.91, 52.55 ppm):
    10 chemical-shift based assignments, quality = 0.987, support = 4.21, residual support = 58.5:
    * O T HB3   MET   92 - HA    MET   92   2.85 +/- 0.07  93.778% * 52.2814% (1.00   4.18  61.72) =  94.637%  kept
          HG3   PRO   93 - HA    MET   92   4.65 +/- 0.54   5.990% * 46.3751% (0.76   4.85   1.60) =   5.362%  kept
          QG1   ILE   56 - HA    MET   92   8.07 +/- 0.56   0.198% *  0.0495% (0.20   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HA    MET   92  11.94 +/- 1.38   0.023% *  0.2453% (0.98   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HA    MET   92  14.29 +/- 0.89   0.007% *  0.2090% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   73 - HA    MET   92  15.98 +/- 0.75   0.003% *  0.2415% (0.97   0.02   0.02) =   0.000%
          QD    LYS+  99 - HA    MET   92  22.14 +/- 0.35   0.000% *  0.2004% (0.80   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    MET   92  24.14 +/- 0.45   0.000% *  0.2004% (0.80   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    MET   92  22.92 +/- 0.66   0.000% *  0.1417% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HA    MET   92  27.98 +/- 0.77   0.000% *  0.0557% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2221 (2.31, 2.31, 33.13 ppm):
    1 diagonal assignment:
    *     HG2   MET   92 - HG2   MET   92  (1.00)  kept
 
    Peak 2222 (2.24, 2.24, 33.13 ppm):
    1 diagonal assignment:
    *     HG3   MET   92 - HG3   MET   92  (1.00)  kept
 
    Peak 2223 (2.31, 4.91, 52.55 ppm):
    7 chemical-shift based assignments, quality = 0.999, support = 2.49, residual support = 61.7:
    * O T HG2   MET   92 - HA    MET   92   2.55 +/- 0.32  88.093% * 96.5627% (1.00   2.49  61.72) =  99.930%  kept
          HG2   PRO   52 - HA    MET   92   3.89 +/- 0.82  11.882% *  0.5023% (0.65   0.02   0.02) =   0.070%
          QG    GLU- 114 - HA    MET   92  11.03 +/- 0.71   0.017% *  0.7696% (0.99   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HA    MET   92  12.97 +/- 1.09   0.007% *  0.7494% (0.97   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HA    MET   92  25.25 +/- 1.07   0.000% *  0.3481% (0.45   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HA    MET   92  31.41 +/- 0.91   0.000% *  0.7765% (1.00   0.02   0.02) =   0.000%
          QB    MET   11 - HA    MET   92  31.23 +/- 3.24   0.000% *  0.2914% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2224 (2.24, 4.91, 52.55 ppm):
    11 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 61.7:
    * O T HG3   MET   92 - HA    MET   92   2.73 +/- 0.52  99.526% * 97.6880% (1.00   3.97  61.72) =  99.999%  kept
          QG    GLN   90 - HA    MET   92   7.82 +/- 0.57   0.363% *  0.1679% (0.34   0.02   0.02) =   0.001%
          HB3   ASP-  76 - HA    MET   92  10.81 +/- 0.88   0.068% *  0.2787% (0.57   0.02   0.02) =   0.000%
        T HB2   ASP-  44 - HA    MET   92  11.71 +/- 0.50   0.031% *  0.0974% (0.20   0.02   0.02) =   0.000%
          HG12  ILE  119 - HA    MET   92  16.03 +/- 0.48   0.004% *  0.3382% (0.69   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    MET   92  16.82 +/- 0.21   0.003% *  0.3942% (0.80   0.02   0.02) =   0.000%
          HB3   PHE   72 - HA    MET   92  17.28 +/- 0.78   0.003% *  0.1369% (0.28   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HA    MET   92  24.00 +/- 1.37   0.000% *  0.4826% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  14 - HA    MET   92  23.77 +/- 2.14   0.001% *  0.1096% (0.22   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    MET   92  27.53 +/- 0.73   0.000% *  0.2397% (0.49   0.02   0.02) =   0.000%
          QG    GLU-  15 - HA    MET   92  23.70 +/- 1.03   0.000% *  0.0666% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 0.884, support = 0.0191, residual support = 0.312:
          HB    VAL  108 - QB    LYS+ 106   5.74 +/- 0.45  91.791% * 12.6890% (0.92   0.02   0.33) =  95.723%  kept
          HB    ILE  119 - QB    LYS+ 106  11.93 +/- 0.21   1.222% * 13.7458% (1.00   0.02   0.02) =   1.380%
          HB2   LYS+ 111 - QB    LYS+ 106   9.84 +/- 0.56   4.585% *  3.0603% (0.22   0.02   0.02) =   1.153%
          HB2   PRO   93 - QB    LYS+ 106  11.36 +/- 0.31   1.603% *  7.7823% (0.57   0.02   0.02) =   1.025%
          HB3   GLU- 100 - QB    LYS+ 106  15.26 +/- 0.49   0.287% * 13.6242% (0.99   0.02   0.02) =   0.322%
        T HB2   GLN   30 - QB    LYS+ 106  16.92 +/- 0.52   0.151% * 13.7458% (1.00   0.02   0.02) =   0.170%
          HG3   GLN   30 - QB    LYS+ 106  18.48 +/- 0.63   0.090% * 11.9235% (0.87   0.02   0.02) =   0.088%
          HB2   ARG+  54 - QB    LYS+ 106  18.64 +/- 0.33   0.083% * 11.9235% (0.87   0.02   0.02) =   0.081%
          HB3   PRO   68 - QB    LYS+ 106  19.81 +/- 0.90   0.058% *  6.6908% (0.49   0.02   0.02) =   0.032%
          QB    GLU-  15 - QB    LYS+ 106  19.22 +/- 0.98   0.072% *  2.4073% (0.18   0.02   0.02) =   0.014%
          HB2   GLN   17 - QB    LYS+ 106  19.74 +/- 0.33   0.059% *  2.4073% (0.18   0.02   0.02) =   0.012%
    Distance limit 3.43 A violated in 20 structures by 2.31 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 = 27.2:
      O   HN    ASP-  76 - HA    VAL   75   2.23 +/- 0.04  99.691% * 99.5162% (0.76   4.64  27.21) =  99.999%  kept
          HN    HIS   22 - HA    VAL   75   5.87 +/- 0.17   0.309% *  0.2731% (0.49   0.02   0.02) =   0.001%
          HN    VAL  108 - HA    VAL   75  17.07 +/- 0.33   0.001% *  0.2106% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.87 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   2.93 +/- 0.01  99.591% * 99.5913% (0.90   5.14  83.34) =  99.998%  kept
          HN    ASP-  78 - HA    VAL   75   7.35 +/- 0.17   0.409% *  0.4087% (0.95   0.02   0.02) =   0.002%
    Distance limit 3.72 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 = 17.3:
          HA    PHE   45 - HB    VAL   75   3.46 +/- 0.22  99.917% * 89.9031% (0.45   0.75  17.28) =  99.995%  kept
          HA    VAL   41 - HB    VAL   75  11.47 +/- 0.48   0.081% *  5.1606% (0.97   0.02   0.02) =   0.005%
          HA    HIS  122 - HB    VAL   75  20.20 +/- 0.61   0.003% *  4.9363% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2232 (6.85, 1.00, 35.37 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.0, residual support = 17.3:
          QD    PHE   45 - HB    VAL   75   3.47 +/- 0.15  99.992% * 98.4856% (0.87   2.00  17.28) = 100.000%  kept
          HD2   HIS  122 - HB    VAL   75  17.28 +/- 0.58   0.007% *  0.7799% (0.69   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB    VAL   75  23.11 +/- 0.96   0.001% *  0.7345% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2233 (6.72, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.229, support = 0.02, residual support = 3.72:
          HZ2   TRP   27 - HB    VAL   75   6.98 +/- 0.34  98.668% * 19.8169% (0.20   0.02   3.92) =  94.819%  kept
        T HZ    PHE   72 - HB    VAL   75  14.36 +/- 0.60   1.332% * 80.1831% (0.80   0.02   0.02) =   5.181%  kept
    Distance limit 4.10 A violated in 20 structures by 2.86 A, eliminated.
    Peak unassigned.
 
    Peak 2234 (8.54, 1.00, 35.37 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.38, residual support = 83.3:
      O   HN    VAL   75 - HB    VAL   75   2.57 +/- 0.32  99.757% * 99.7031% (0.99   4.38  83.34) =  99.999%  kept
          HN    ASP-  78 - HB    VAL   75   8.04 +/- 0.42   0.243% *  0.2969% (0.65   0.02   0.02) =   0.001%
    Distance limit 3.26 A violated in 1 structures by 0.03 A, kept.
 
    Peak 2235 (6.71, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.31, residual support = 17.3:
        T QE    PHE   45 - QG1   VAL   75   2.17 +/- 0.25  99.964% * 96.5153% (0.34   2.31  17.28) =  99.999%  kept
          QD    PHE   72 - QG1   VAL   75   9.94 +/- 0.74   0.032% *  1.2884% (0.53   0.02   0.02) =   0.000%
          HZ    PHE   72 - QG1   VAL   75  13.59 +/- 0.95   0.004% *  2.1962% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 17.3:
          QD    PHE   45 - QG1   VAL   75   2.14 +/- 0.25  99.999% * 99.5615% (1.00   2.96  17.28) = 100.000%  kept
          HD2   HIS  122 - QG1   VAL   75  15.84 +/- 0.86   0.001% *  0.2302% (0.34   0.02   0.02) =   0.000%
          HE22  GLN  116 - QG1   VAL   75  20.51 +/- 0.96   0.000% *  0.2083% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 5.04, residual support = 80.4:
          HN    VAL   75 - QG1   VAL   75   3.40 +/- 0.52  92.441% * 69.1059% (0.90   5.14  83.34) =  96.473%  kept
          HN    ASP-  78 - QG1   VAL   75   5.52 +/- 0.56   7.559% * 30.8941% (0.95   2.18   0.02) =   3.527%  kept
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2238 (9.12, 0.44, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 4.97, residual support = 27.2:
          HN    ASP-  76 - QG1   VAL   75   2.80 +/- 0.52  99.205% * 99.1034% (0.41   4.97  27.21) =  99.998%  kept
          HN    HIS   22 - QG1   VAL   75   6.60 +/- 0.36   0.768% *  0.1920% (0.20   0.02   0.02) =   0.001%
          HN    VAL  108 - QG1   VAL   75  12.92 +/- 0.58   0.027% *  0.7046% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 2 structures by 0.07 A, kept.
 
    Peak 2239 (3.09, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.764, support = 0.75, residual support = 2.49:
          HB2   CYS   21 - QG2   VAL   75   1.97 +/- 0.13  99.980% * 98.7151% (0.76   0.75   2.49) = 100.000%  kept
          QE    LYS+  81 - QG2   VAL   75   8.38 +/- 0.59   0.020% *  0.6032% (0.18   0.02   0.02) =   0.000%
          QE    LYS+ 111 - QG2   VAL   75  16.85 +/- 0.39   0.000% *  0.6817% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 0.542, support = 0.917, residual support = 7.9:
          HZ3   TRP   27 - QG2   VAL   75   3.51 +/- 0.24  75.346% * 43.5714% (0.45   0.99   3.92) =  70.236%  kept
          HZ    PHE   45 - QG2   VAL   75   4.28 +/- 0.18  24.654% * 56.4286% (0.76   0.75  17.28) =  29.764%  kept
    Distance limit 3.36 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2241 (6.69, 0.13, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 1.77, residual support = 17.3:
          QE    PHE   45 - QG2   VAL   75   3.73 +/- 0.06  99.324% * 98.5592% (0.97   1.77  17.28) =  99.993%  kept
          QD    PHE   72 - QG2   VAL   75   8.76 +/- 0.20   0.602% *  1.1528% (1.00   0.02   0.02) =   0.007%
          HZ    PHE   72 - QG2   VAL   75  12.44 +/- 0.37   0.074% *  0.2881% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 1.2, residual support = 3.92:
          HE3   TRP   27 - QG2   VAL   75   2.53 +/- 0.28  95.985% * 92.3647% (0.80   1.20   3.92) =  99.927%  kept
          HN    THR   23 - QG2   VAL   75   4.53 +/- 0.21   3.282% *  1.8579% (0.97   0.02   0.02) =   0.069%
          HD2   HIS   22 - QG2   VAL   75   6.23 +/- 0.85   0.666% *  0.3810% (0.20   0.02   0.02) =   0.003%
          QE    PHE   95 - QG2   VAL   75   9.25 +/- 0.28   0.052% *  1.8870% (0.98   0.02   0.02) =   0.001%
          HD1   TRP   49 - QG2   VAL   75  12.08 +/- 0.20   0.009% *  0.5942% (0.31   0.02   0.02) =   0.000%
          HN    LEU   67 - QG2   VAL   75  14.64 +/- 0.28   0.003% *  1.2454% (0.65   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   VAL   75  15.79 +/- 0.35   0.002% *  1.6699% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 4.99, residual support = 83.3:
          HN    VAL   75 - QG2   VAL   75   3.28 +/- 0.11  99.315% * 99.5790% (0.90   4.99  83.34) =  99.997%  kept
          HN    ASP-  78 - QG2   VAL   75   7.59 +/- 0.20   0.685% *  0.4210% (0.95   0.02   0.02) =   0.003%
    Distance limit 3.57 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 = 0.594, support = 0.0196, residual support = 0.0196:
          HN    VAL   43 - QG2   VAL   75   7.39 +/- 0.33  98.001% * 48.3894% (0.61   0.02   0.02) =  97.871%  kept
          HN    VAL  108 - QG2   VAL   75  14.18 +/- 0.38   1.999% * 51.6106% (0.65   0.02   0.02) =   2.129%
    Distance limit 4.01 A violated in 20 structures by 3.39 A, eliminated.
    Peak unassigned.
 
    Peak 2245 (9.13, 2.24, 42.19 ppm):
    2 chemical-shift based assignments, quality = 0.152, support = 3.75, residual support = 36.3:
      O   HN    ASP-  76 - HB3   ASP-  76   3.17 +/- 0.31  99.997% * 97.1441% (0.15   3.75  36.33) = 100.000%  kept
          HN    VAL  108 - HB3   ASP-  76  18.11 +/- 0.38   0.003% *  2.8559% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2246 (9.12, 2.90, 42.19 ppm):
    9 chemical-shift based assignments, quality = 0.411, support = 3.72, residual support = 36.3:
      O   HN    ASP-  76 - HB2   ASP-  76   2.36 +/- 0.38  99.856% * 98.2022% (0.41   3.72  36.33) = 100.000%  kept
          HN    HIS   22 - HB2   ASP-  76   7.32 +/- 0.70   0.133% *  0.2540% (0.20   0.02   0.02) =   0.000%
          HN    VAL  108 - HB2   ASP-  76  18.57 +/- 0.37   0.001% *  0.9319% (0.73   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  33  12.39 +/- 1.48   0.007% *  0.0379% (0.03   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  66  17.39 +/- 0.80   0.001% *  0.1938% (0.15   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  33  15.74 +/- 1.20   0.002% *  0.0787% (0.06   0.02   0.02) =   0.000%
          HN    ASP-  76 - QE    LYS+  66  21.67 +/- 0.52   0.000% *  0.1097% (0.09   0.02   0.02) =   0.000%
          HN    VAL  108 - QE    LYS+  33  23.36 +/- 0.79   0.000% *  0.1390% (0.11   0.02   0.02) =   0.000%
          HN    HIS   22 - QE    LYS+  66  23.28 +/- 0.47   0.000% *  0.0528% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2247 (8.10, 3.58, 65.17 ppm):
    4 chemical-shift based assignments, quality = 0.378, support = 0.0197, residual support = 0.0197:
          HN    LEU   80 - HA    THR   77   5.93 +/- 0.71  96.877% * 19.6829% (0.38   0.02   0.02) =  95.046%  kept
          HN    CYS   53 - HA    THR   77  11.60 +/- 0.38   2.199% * 31.8091% (0.61   0.02   0.02) =   3.487%  kept
          HN    THR   26 - HA    THR   77  13.44 +/- 0.30   0.825% * 33.9265% (0.65   0.02   0.02) =   1.395%
          HN    ALA   34 - HA    THR   77  19.22 +/- 0.27   0.099% * 14.5815% (0.28   0.02   0.02) =   0.072%
    Distance limit 3.62 A violated in 20 structures by 2.29 A, eliminated.
    Peak unassigned.
 
    Peak 2248 (8.54, 3.58, 65.17 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 4.71, residual support = 29.1:
      O   HN    ASP-  78 - HA    THR   77   3.55 +/- 0.04  98.256% * 99.3535% (0.65   4.71  29.13) =  99.988%  kept
          HN    VAL   75 - HA    THR   77   6.97 +/- 0.16   1.744% *  0.6465% (0.99   0.02   0.34) =   0.012%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2249 (9.29, 3.58, 65.17 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 4.01, residual support = 37.8:
      O   HN    THR   77 - HA    THR   77   2.79 +/- 0.03 100.000% *100.0000% (0.53   4.01  37.77) = 100.000%  kept
    Distance limit 3.53 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 = 2.72, residual support = 11.0:
        T QD    PHE   45 - QG2   THR   77   2.82 +/- 0.23 100.000% *100.0000% (0.80   2.72  10.99) = 100.000%  kept
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2251 (8.47, 1.30, 23.34 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.73, residual support = 12.3:
          HN    THR   46 - QG2   THR   77   2.95 +/- 0.20  91.220% * 98.2275% (0.87   3.73  12.29) =  99.959%  kept
          HN    MET   92 - QG2   THR   77   4.55 +/- 0.37   8.665% *  0.4171% (0.69   0.02   0.02) =   0.040%
          HN    LYS+  74 - QG2   THR   77   9.17 +/- 0.25   0.103% *  0.5951% (0.98   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QG2   THR   77  13.28 +/- 0.44   0.012% *  0.3194% (0.53   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   77  25.66 +/- 2.97   0.000% *  0.4409% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2252 (9.28, 1.30, 23.34 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 4.01, residual support = 37.8:
          HN    THR   77 - QG2   THR   77   2.11 +/- 0.16 100.000% *100.0000% (0.87   4.01  37.77) = 100.000%  kept
    Distance limit 3.10 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 = 8.28:
          HA    ALA   20 - HB2   LYS+  74   3.51 +/- 0.38  99.821% * 98.6222% (0.61   1.50   8.28) =  99.997%  kept
          HA    LEU   71 - HB2   LYS+  74  10.75 +/- 0.80   0.179% *  1.3778% (0.64   0.02   0.02) =   0.003%
    Distance limit 3.76 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2254 (4.64, 1.41, 36.69 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 2.96, residual support = 8.28:
          HA    ALA   20 - HB3   LYS+  74   2.48 +/- 0.54  99.957% * 99.2963% (0.76   2.96   8.28) = 100.000%  kept
          HA    LEU   71 - HB3   LYS+  74  10.54 +/- 0.45   0.043% *  0.7037% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 6.06, residual support = 170.1:
      O   HA    LYS+  74 - HB3   LYS+  74   2.96 +/- 0.10  99.977% * 99.6596% (0.80   6.06 170.13) = 100.000%  kept
          HA    THR   94 - HB3   LYS+  74  12.89 +/- 0.33   0.015% *  0.2490% (0.61   0.02   0.02) =   0.000%
          HA    MET   92 - HB3   LYS+  74  14.36 +/- 0.63   0.008% *  0.0914% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 128.8:
      O T HA    PRO   93 - HB2   PRO   93   2.30 +/- 0.00 100.000% * 99.9739% (0.49   5.98 128.77) = 100.000%  kept
        T HA    PRO   93 - HG3   GLN   30  18.56 +/- 0.80   0.000% *  0.0261% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.542, support = 1.33, residual support = 1.17:
          HB3   MET   92 - HB3   PRO   93   5.26 +/- 0.19   6.092% * 89.1937% (0.41   1.81   1.60) =  72.968%  kept
          QG1   ILE   56 - HB3   PRO   93   3.29 +/- 0.20  93.581% *  2.1476% (0.90   0.02   0.02) =  26.989%  kept
          HB    ILE   89 - HB3   PRO   93   9.98 +/- 0.23   0.129% *  0.8987% (0.38   0.02   0.02) =   0.016%
        T HD2   LYS+ 111 - HB3   PRO   93  10.18 +/- 0.66   0.131% *  0.7391% (0.31   0.02   0.02) =   0.013%
          QD    LYS+ 106 - HB3   PRO   93  12.29 +/- 0.55   0.037% *  1.8301% (0.76   0.02   0.02) =   0.009%
        T HB2   LEU   73 - HB3   PRO   93  13.25 +/- 0.62   0.025% *  1.3558% (0.57   0.02   0.02) =   0.004%
          QD    LYS+  99 - HB3   PRO   93  18.29 +/- 0.47   0.003% *  1.9175% (0.80   0.02   0.02) =   0.001%
          HB3   LYS+  99 - HB3   PRO   93  19.28 +/- 0.76   0.002% *  1.9175% (0.80   0.02   0.02) =   0.001%
    Distance limit 3.41 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2258 (2.07, 1.36, 34.10 ppm):
    10 chemical-shift based assignments, quality = 0.801, support = 5.96, residual support = 128.8:
      O   HB2   PRO   93 - HB3   PRO   93   1.75 +/- 0.00  99.874% * 98.1672% (0.80   5.96 128.77) = 100.000%  kept
          HG3   PRO   52 - HB3   PRO   93   5.71 +/- 0.65   0.110% *  0.2825% (0.69   0.02   3.57) =   0.000%
          HB    VAL  108 - HB3   PRO   93   8.59 +/- 0.72   0.009% *  0.1691% (0.41   0.02   0.02) =   0.000%
          HG2   PRO   58 - HB3   PRO   93   9.64 +/- 0.23   0.004% *  0.2825% (0.69   0.02   0.02) =   0.000%
          HB2   ARG+  54 - HB3   PRO   93  10.04 +/- 0.47   0.003% *  0.2002% (0.49   0.02   0.02) =   0.000%
          HB    ILE  119 - HB3   PRO   93  12.77 +/- 0.55   0.001% *  0.0916% (0.22   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HB3   PRO   93  23.12 +/- 2.03   0.000% *  0.3143% (0.76   0.02   0.02) =   0.000%
          HB2   GLN   30 - HB3   PRO   93  18.81 +/- 0.64   0.000% *  0.0916% (0.22   0.02   0.02) =   0.000%
          HG2   MET   11 - HB3   PRO   93  31.27 +/- 2.54   0.000% *  0.3293% (0.80   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HB3   PRO   93  24.85 +/- 0.44   0.000% *  0.0720% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.78 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 = 5.08, residual support = 128.8:
      O   HA    PRO   93 - HB3   PRO   93   2.73 +/- 0.00 100.000% *100.0000% (0.92   5.08 128.77) = 100.000%  kept
    Distance limit 3.56 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   7.36 +/- 0.34 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 4.09 A violated in 20 structures by 3.27 A, eliminated.
    Peak unassigned.
 
    Peak 2263 (0.74, 2.73, 33.78 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.01, residual support = 13.9:
          QD1   ILE   19 - HG2   GLN   30   3.42 +/- 0.23  98.820% * 96.0942% (0.95   2.01  13.86) =  99.992%  kept
          QG1   VAL   43 - HG2   GLN   30   8.59 +/- 0.65   0.479% *  0.6931% (0.69   0.02   0.02) =   0.003%
          QG1   VAL   41 - HG2   GLN   30   8.42 +/- 0.39   0.494% *  0.4912% (0.49   0.02   0.02) =   0.003%
          QG2   VAL   18 - HG2   GLN   30  10.32 +/- 0.54   0.141% *  0.9049% (0.90   0.02   0.02) =   0.001%
          QG2   THR   46 - HG2   GLN   30  12.04 +/- 0.74   0.058% *  0.9738% (0.97   0.02   0.02) =   0.001%
          QD2   LEU  104 - HG2   GLN   30  16.66 +/- 0.75   0.009% *  0.8428% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 5.51:
        T QG2   THR   26 - HG2   GLN   30   2.88 +/- 0.38  99.919% * 80.7705% (0.61   0.75   5.51) =  99.999%  kept
          HB2   LYS+  74 - HG2   GLN   30  10.13 +/- 0.58   0.061% *  1.2113% (0.34   0.02   0.02) =   0.001%
        T HD3   LYS+  74 - HG2   GLN   30  13.04 +/- 0.63   0.013% *  2.0105% (0.57   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HG2   GLN   30  17.12 +/- 1.04   0.003% *  2.4393% (0.69   0.02   0.02) =   0.000%
          HG    LEU  104 - HG2   GLN   30  18.15 +/- 0.71   0.002% *  2.5787% (0.73   0.02   0.02) =   0.000%
        T QD    LYS+  66 - HG2   GLN   30  19.85 +/- 0.48   0.001% *  3.5433% (1.00   0.02   0.02) =   0.000%
        T HB3   LYS+ 121 - HG2   GLN   30  23.43 +/- 0.70   0.000% *  2.5787% (0.73   0.02   0.02) =   0.000%
        T HD2   LYS+ 121 - HG2   GLN   30  24.95 +/- 1.23   0.000% *  2.7139% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HG2   GLN   30  25.48 +/- 0.59   0.000% *  2.1539% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 6.73, residual support = 234.0:
      O T HG2   LYS+ 112 - HB3   LYS+ 112   2.90 +/- 0.18  99.980% * 99.4183% (0.95   6.73 234.00) = 100.000%  kept
          QG1   VAL   42 - HB3   LYS+ 112  12.89 +/- 0.38   0.014% *  0.3015% (0.97   0.02   0.02) =   0.000%
          QB    ALA   47 - HB3   LYS+ 112  14.63 +/- 0.55   0.006% *  0.2802% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 6.27, residual support = 234.0:
      O T HA    LYS+ 112 - HB3   LYS+ 112   2.67 +/- 0.14  99.995% * 99.5427% (0.73   6.27 234.00) = 100.000%  kept
          HB2   HIS  122 - HB3   LYS+ 112  16.15 +/- 0.40   0.002% *  0.1960% (0.45   0.02   0.02) =   0.000%
          HB    THR   46 - HB3   LYS+ 112  15.90 +/- 0.70   0.002% *  0.0973% (0.22   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB3   LYS+ 112  28.31 +/- 0.82   0.000% *  0.1640% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2267 (8.49, 1.19, 32.81 ppm):
    5 chemical-shift based assignments, quality = 0.965, support = 5.7, residual support = 234.0:
      O   HN    LYS+ 112 - HB3   LYS+ 112   3.39 +/- 0.07  99.985% * 99.1357% (0.97   5.70 234.00) = 100.000%  kept
          HN    THR   46 - HB3   LYS+ 112  17.78 +/- 0.57   0.005% *  0.1354% (0.38   0.02   0.02) =   0.000%
          HN    MET   92 - HB3   LYS+ 112  16.37 +/- 0.63   0.008% *  0.0803% (0.22   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   LYS+ 112  21.11 +/- 0.52   0.002% *  0.2888% (0.80   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LYS+ 112  37.51 +/- 1.71   0.000% *  0.3599% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 234.0:
      O   HN    LYS+ 112 - HB2   LYS+ 112   2.14 +/- 0.16  99.971% * 98.7196% (0.84   5.71 234.00) = 100.000%  kept
          HN    LYS+  74 - HB    VAL   42   8.71 +/- 0.60   0.028% *  0.1077% (0.26   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB    VAL   42  17.39 +/- 0.22   0.000% *  0.2914% (0.70   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB    VAL   42  17.74 +/- 0.41   0.000% *  0.1190% (0.29   0.02   0.02) =   0.000%
          HN    MET   11 - HB    VAL   42  23.30 +/- 2.24   0.000% *  0.2257% (0.55   0.02   0.02) =   0.000%
          HN    ASP-  78 - HB2   LYS+ 112  21.17 +/- 0.62   0.000% *  0.1412% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   LYS+ 112  21.24 +/- 0.41   0.000% *  0.1277% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+ 112  38.18 +/- 1.85   0.000% *  0.2677% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 2.83, residual support = 6.07:
          HA    PHE   72 - HB    VAL   42   3.05 +/- 0.54  99.444% * 99.2334% (0.85   2.83   6.07) =  99.999%  kept
          HA    MET   96 - HB    VAL   42   7.99 +/- 0.23   0.548% *  0.1593% (0.19   0.02   0.02) =   0.001%
          HA    PHE   72 - HB2   LYS+ 112  20.05 +/- 0.34   0.002% *  0.4949% (0.60   0.02   0.02) =   0.000%
          HA    MET   96 - HB2   LYS+ 112  16.45 +/- 0.33   0.006% *  0.1124% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2270 (8.95, 1.39, 32.90 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.53, residual support = 87.6:
      O   HN    VAL   42 - HB    VAL   42   2.34 +/- 0.10  97.151% * 98.5317% (0.80   5.53  87.63) =  99.990%  kept
          HN    LEU   73 - HB    VAL   42   4.44 +/- 0.54   2.752% *  0.3563% (0.80   0.02   2.83) =   0.010%
          HN    ILE   19 - HB    VAL   42   7.73 +/- 0.66   0.086% *  0.1073% (0.24   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    VAL   42  11.35 +/- 0.45   0.008% *  0.2497% (0.56   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB2   LYS+ 112  14.63 +/- 0.29   0.002% *  0.1762% (0.40   0.02   0.02) =   0.000%
          HN    LEU   73 - HB2   LYS+ 112  19.84 +/- 0.31   0.000% *  0.2515% (0.57   0.02   0.02) =   0.000%
          HN    VAL   42 - HB2   LYS+ 112  20.24 +/- 0.33   0.000% *  0.2515% (0.57   0.02   0.02) =   0.000%
          HN    ILE   19 - HB2   LYS+ 112  21.60 +/- 0.42   0.000% *  0.0757% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.594, support = 1.78, residual support = 6.01:
          QD    PHE   60 - HB    VAL   42   5.14 +/- 0.64  12.952% * 93.8811% (0.66   2.00   6.82) =  87.368%  kept
          QD    PHE   55 - HB2   LYS+ 112   3.49 +/- 0.45  86.441% *  2.0313% (0.12   0.24   0.41) =  12.617%  kept
          HN    LYS+  66 - HB    VAL   42   9.06 +/- 0.37   0.350% *  0.3416% (0.24   0.02   0.02) =   0.009%
          HE3   TRP   27 - HB    VAL   42   9.92 +/- 0.68   0.201% *  0.3063% (0.22   0.02   0.02) =   0.004%
          QD    PHE   60 - HB2   LYS+ 112  13.10 +/- 0.38   0.034% *  0.6625% (0.47   0.02   0.02) =   0.002%
          HN    LYS+  81 - HB    VAL   42  19.43 +/- 0.43   0.003% *  1.2176% (0.86   0.02   0.02) =   0.000%
          QD    PHE   55 - HB    VAL   42  16.23 +/- 0.41   0.011% *  0.2431% (0.17   0.02   0.02) =   0.000%
          HN    LYS+  66 - HB2   LYS+ 112  16.95 +/- 0.46   0.007% *  0.2410% (0.17   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB2   LYS+ 112  26.29 +/- 0.60   0.001% *  0.8593% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LYS+ 112  23.85 +/- 0.41   0.001% *  0.2162% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2272 (6.71, 1.39, 32.90 ppm):
    6 chemical-shift based assignments, quality = 0.542, support = 0.936, residual support = 6.07:
        T QD    PHE   72 - HB    VAL   42   2.99 +/- 0.54  85.501% * 30.8902% (0.46   0.87   6.07) =  73.306%  kept
          HZ    PHE   72 - HB    VAL   42   4.28 +/- 0.53  14.359% * 66.9750% (0.78   1.11   6.07) =  26.692%  kept
          QE    PHE   45 - HB    VAL   42   9.27 +/- 0.21   0.130% *  0.4591% (0.30   0.02   0.02) =   0.002%
          HZ    PHE   72 - HB2   LYS+ 112  17.53 +/- 0.76   0.003% *  0.8519% (0.55   0.02   0.02) =   0.000%
        T QD    PHE   72 - HB2   LYS+ 112  16.14 +/- 0.41   0.005% *  0.4998% (0.32   0.02   0.02) =   0.000%
          QE    PHE   45 - HB2   LYS+ 112  17.91 +/- 0.37   0.003% *  0.3240% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.90 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   2.44 +/- 0.18  99.979% * 95.0954% (0.14   2.86  15.44) =  99.999%  kept
          HN    LEU   40 - HA1   GLY  101  10.08 +/- 0.91   0.021% *  4.9046% (1.00   0.02   0.02) =   0.001%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2274 (8.87, 3.52, 45.70 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 2.86, residual support = 15.4:
      O   HN    GLY  101 - HA2   GLY  101   2.91 +/- 0.04  99.949% * 98.5294% (0.38   2.86  15.44) =  99.999%  kept
          HN    LEU   40 - HA2   GLY  101  10.40 +/- 0.46   0.051% *  1.4706% (0.80   0.02   0.02) =   0.001%
    Distance limit 3.22 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 = 5.17:
      O   HN    SER   13 - HA    ALA   12   2.46 +/- 0.20  99.997% * 99.8148% (0.84   1.72   5.17) = 100.000%  kept
          HN    VAL   18 - HA    ALA   12  14.96 +/- 1.53   0.003% *  0.1852% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 12.5:
      O   HN    ALA   12 - HA    ALA   12   2.56 +/- 0.32  99.998% * 98.8497% (0.85   2.38  12.52) = 100.000%  kept
          HN    ASN   35 - HA    ALA   12  18.50 +/- 3.80   0.002% *  0.5141% (0.53   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ALA   12  27.01 +/- 2.18   0.000% *  0.3181% (0.33   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ALA   12  32.35 +/- 1.50   0.000% *  0.3181% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2277 (8.36, 1.39, 19.22 ppm):
    4 chemical-shift based assignments, quality = 0.46, support = 2.29, residual support = 12.5:
      O   HN    ALA   12 - QB    ALA   12   2.76 +/- 0.21  99.993% * 97.6832% (0.46   2.29  12.52) = 100.000%  kept
          HN    ASN   35 - QB    ALA   12  15.66 +/- 3.08   0.006% *  1.6192% (0.87   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    ALA   12  22.14 +/- 2.28   0.000% *  0.3905% (0.21   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    ALA   12  21.25 +/- 1.10   0.001% *  0.3072% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 3.5, residual support = 12.2:
      O   HN    ALA   12 - HA    MET   11   2.69 +/- 0.10  99.783% * 97.5943% (0.65   3.50  12.21) = 100.000%  kept
          HN    ALA   12 - HA    GLU-  14   8.08 +/- 0.90   0.211% *  0.2186% (0.25   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    MET   11  18.81 +/- 4.34   0.002% *  0.1917% (0.22   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    GLU-  14  16.21 +/- 1.95   0.003% *  0.0752% (0.09   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU-  14  22.41 +/- 1.46   0.000% *  0.2706% (0.31   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    MET   11  28.71 +/- 2.95   0.000% *  0.6895% (0.80   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    GLU-  14  27.14 +/- 1.24   0.000% *  0.2706% (0.31   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    MET   11  34.88 +/- 2.13   0.000% *  0.6895% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2279 (8.38, 1.92, 30.22 ppm):
    8 chemical-shift based assignments, quality = 0.965, support = 3.59, residual support = 12.2:
          HN    ALA   12 - HG3   MET   11   3.68 +/- 0.28  97.983% * 98.7312% (0.97   3.59  12.21) =  99.996%  kept
          HN    ALA   12 - HB3   GLU-  14   8.55 +/- 1.72   1.969% *  0.1955% (0.34   0.02   0.02) =   0.004%
          HN    ASN   35 - HG3   MET   11  19.50 +/- 4.57   0.017% *  0.3230% (0.57   0.02   0.02) =   0.000%
          HN    ASN   35 - HB3   GLU-  14  15.36 +/- 2.06   0.028% *  0.1147% (0.20   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   GLU-  14  22.00 +/- 1.69   0.003% *  0.0833% (0.15   0.02   0.02) =   0.000%
          HN    PHE   97 - HG3   MET   11  29.17 +/- 3.04   0.001% *  0.2345% (0.41   0.02   0.02) =   0.000%
          HN    LEU  115 - HB3   GLU-  14  27.14 +/- 1.52   0.001% *  0.0833% (0.15   0.02   0.02) =   0.000%
          HN    LEU  115 - HG3   MET   11  35.09 +/- 2.21   0.000% *  0.2345% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2280 (8.32, 4.41, 58.75 ppm):
    18 chemical-shift based assignments, quality = 0.923, support = 2.1, residual support = 6.65:
      O   HN    GLU-  14 - HA    SER   13   2.46 +/- 0.21  99.956% * 92.1754% (0.92   2.10   6.65) = 100.000%  kept
          HN    GLN   30 - HA    SER   13  14.33 +/- 3.40   0.015% *  0.7598% (0.80   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    SER   37  12.74 +/- 0.20   0.006% *  0.4060% (0.43   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   37  13.09 +/- 0.42   0.005% *  0.3682% (0.39   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    THR   46  13.97 +/- 0.44   0.003% *  0.4170% (0.44   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   13  16.16 +/- 3.53   0.005% *  0.2929% (0.31   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    SER   37  14.99 +/- 2.34   0.003% *  0.4681% (0.49   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   37  17.40 +/- 1.54   0.001% *  0.4060% (0.43   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   46  17.29 +/- 0.59   0.001% *  0.4598% (0.48   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    THR   46  17.55 +/- 0.31   0.001% *  0.4598% (0.48   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    SER   37  14.69 +/- 0.16   0.002% *  0.1565% (0.16   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   46  20.03 +/- 0.14   0.000% *  0.4170% (0.44   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    SER   13  22.50 +/- 0.97   0.000% *  0.7598% (0.80   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    THR   46  18.49 +/- 0.36   0.001% *  0.1772% (0.19   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    THR   46  22.58 +/- 1.53   0.000% *  0.5301% (0.56   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    SER   13  23.87 +/- 2.18   0.000% *  0.6890% (0.73   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   37  23.98 +/- 0.54   0.000% *  0.3682% (0.39   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    SER   13  28.39 +/- 2.86   0.000% *  0.6890% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 0.651, support = 0.02, residual support = 0.02:
          HN    ILE   19 - HA    SER   13  12.40 +/- 1.76  20.163% * 21.8157% (0.99   0.02   0.02) =  38.097%  kept
          HN    LEU   73 - HA    THR   46  11.39 +/- 0.22  26.792% *  7.5418% (0.34   0.02   0.02) =  17.501%  kept
          HN    ILE   19 - HA    THR   46  12.70 +/- 0.42  14.075% * 13.2032% (0.60   0.02   0.02) =  16.095%  kept
          HN    VAL   42 - HA    SER   37  12.49 +/- 0.32  15.483% *  6.6588% (0.30   0.02   0.02) =   8.929%  kept
          HN    LEU   73 - HA    SER   13  15.82 +/- 1.96   4.286% * 12.4613% (0.57   0.02   0.02) =   4.626%  kept
          HN    VAL   42 - HA    THR   46  14.35 +/- 0.12   6.697% *  7.5418% (0.34   0.02   0.02) =   4.375%  kept
          HN    ILE   19 - HA    SER   37  15.63 +/- 0.49   4.102% * 11.6574% (0.53   0.02   0.02) =   4.141%  kept
          HN    LEU   73 - HA    SER   37  14.78 +/- 0.31   5.639% *  6.6588% (0.30   0.02   0.02) =   3.252%  kept
          HN    VAL   42 - HA    SER   13  16.86 +/- 1.79   2.763% * 12.4613% (0.57   0.02   0.02) =   2.982%  kept
    Distance limit 3.38 A violated in 20 structures by 5.72 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 = 25.7:
      O   HN    SER   37 - HB3   SER   37   2.66 +/- 0.36  99.979% * 97.3483% (0.83   3.43  25.73) = 100.000%  kept
          HN    SER   37 - QB    SER   13  14.00 +/- 3.11   0.011% *  0.4348% (0.63   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    SER   13  14.40 +/- 1.83   0.006% *  0.1646% (0.24   0.02   0.02) =   0.000%
          HN    CYS   21 - HB3   SER   37  16.55 +/- 0.31   0.002% *  0.2151% (0.31   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   SER   37  21.57 +/- 0.57   0.000% *  0.4788% (0.70   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   SER   37  22.08 +/- 0.54   0.000% *  0.5619% (0.82   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    SER   13  23.96 +/- 0.92   0.000% *  0.3664% (0.53   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    SER   13  25.60 +/- 2.00   0.000% *  0.4300% (0.63   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.706, support = 0.0196, residual support = 0.0196:
          HA    PHE   59 - HB3   GLU-  14  20.56 +/- 1.38  48.560% * 22.8936% (0.69   0.02   0.02) =  56.293%  kept
          HA    TRP   87 - HB3   GLU-  14  24.99 +/- 2.18  15.986% * 33.2545% (1.00   0.02   0.02) =  26.919%  kept
          HA    LEU  104 - HB3   GLU-  14  25.40 +/- 1.63  13.963% * 12.5086% (0.38   0.02   0.02) =   8.844%  kept
          HA    PHE   59 - HG3   MET   11  28.63 +/- 1.90   7.205% *  8.1279% (0.24   0.02   0.02) =   2.965%  kept
          HA    TRP   87 - HG3   MET   11  31.44 +/- 3.89   4.740% * 11.8063% (0.35   0.02   0.02) =   2.834%  kept
          HA    ASP- 113 - HB3   GLU-  14  30.79 +/- 1.51   4.259% *  5.1424% (0.15   0.02   0.02) =   1.109%
          HA    LEU  104 - HG3   MET   11  31.77 +/- 3.26   4.133% *  4.4409% (0.13   0.02   0.02) =   0.929%
          HA    ASP- 113 - HG3   MET   11  38.66 +/- 2.21   1.153% *  1.8257% (0.05   0.02   0.02) =   0.107%
    Distance limit 3.60 A violated in 20 structures by 14.90 A, eliminated.
    Peak unassigned.
 
    Peak 2285 (8.33, 1.92, 30.50 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 3.87, residual support = 46.6:
      O   HN    GLU-  14 - HB3   GLU-  14   2.98 +/- 0.37  99.737% * 97.8801% (0.92   3.87  46.63) = 100.000%  kept
          HN    GLU-  14 - HG3   MET   11   9.19 +/- 0.99   0.208% *  0.1798% (0.33   0.02   0.02) =   0.000%
          HN    GLN   30 - HB3   GLU-  14  12.67 +/- 2.16   0.036% *  0.1871% (0.34   0.02   0.02) =   0.000%
          HN    GLN   30 - HG3   MET   11  17.68 +/- 4.40   0.015% *  0.0664% (0.12   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  14  20.16 +/- 1.23   0.002% *  0.5437% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  14  21.92 +/- 1.74   0.001% *  0.5485% (1.00   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  14  25.98 +/- 2.13   0.000% *  0.1525% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG3   MET   11  27.78 +/- 3.68   0.000% *  0.1947% (0.36   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   MET   11  27.35 +/- 2.29   0.000% *  0.1930% (0.35   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   MET   11  32.04 +/- 4.18   0.000% *  0.0541% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2286 (8.34, 2.08, 30.50 ppm):
    12 chemical-shift based assignments, quality = 0.487, support = 3.87, residual support = 46.6:
      O   HN    GLU-  14 - HB2   GLU-  14   3.14 +/- 0.59  99.330% * 96.9414% (0.49   3.87  46.63) =  99.999%  kept
          HN    GLU-  14 - HG2   MET   11   8.93 +/- 1.37   0.638% *  0.1878% (0.18   0.02   0.02) =   0.001%
          HN    ASN   35 - HB2   GLU-  14  15.34 +/- 2.29   0.015% *  0.4236% (0.41   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  14  19.98 +/- 1.34   0.003% *  0.6665% (0.65   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   11  19.53 +/- 4.88   0.009% *  0.1586% (0.15   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  14  21.78 +/- 1.86   0.001% *  0.7482% (0.73   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ARG+  54  21.13 +/- 1.25   0.002% *  0.0980% (0.10   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   MET   11  27.72 +/- 4.10   0.001% *  0.2802% (0.27   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   MET   11  27.13 +/- 2.64   0.000% *  0.2496% (0.24   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ARG+  54  27.60 +/- 0.31   0.000% *  0.1100% (0.11   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ARG+  54  26.96 +/- 1.23   0.000% *  0.0738% (0.07   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ARG+  54  30.28 +/- 0.60   0.000% *  0.0623% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2289 (8.65, 4.41, 56.54 ppm):
    9 chemical-shift based assignments, quality = 0.965, support = 2.59, residual support = 7.58:
      O   HN    GLY   16 - HA    GLU-  15   2.54 +/- 0.18  99.987% * 96.9527% (0.97   2.59   7.58) = 100.000%  kept
          HN    GLY   16 - HA    LEU   40  12.44 +/- 1.33   0.009% *  0.6058% (0.78   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    ASN   35  15.23 +/- 1.49   0.003% *  0.1389% (0.18   0.02   0.02) =   0.000%
          HN    SER  117 - HA    LEU   40  18.70 +/- 0.32   0.001% *  0.5026% (0.65   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LEU   40  22.47 +/- 0.49   0.000% *  0.4312% (0.56   0.02   0.02) =   0.000%
          HN    SER  117 - HA    GLU-  15  24.63 +/- 0.42   0.000% *  0.6216% (0.80   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLU-  15  24.49 +/- 1.00   0.000% *  0.5332% (0.69   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ASN   35  20.96 +/- 0.58   0.000% *  0.0989% (0.13   0.02   0.02) =   0.000%
          HN    SER  117 - HA    ASN   35  25.86 +/- 0.42   0.000% *  0.1152% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2290 (8.81, 4.13, 56.27 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.71, residual support = 89.5:
      O   HN    ASN   28 - HA    ASN   28   2.75 +/- 0.01  99.999% * 99.6254% (0.84   5.71  89.52) = 100.000%  kept
          HN    ASN   69 - HA    ASN   28  19.33 +/- 0.49   0.001% *  0.3746% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2291 (1.36, 4.13, 56.27 ppm):
    16 chemical-shift based assignments, quality = 0.375, support = 2.54, residual support = 17.4:
        T HB2   LEU   31 - HA    ASN   28   2.34 +/- 0.32  99.800% * 84.3475% (0.38   2.54  17.39) =  99.998%  kept
          HB3   LEU   73 - HA    ASN   28   8.11 +/- 0.57   0.066% *  0.6636% (0.38   0.02   0.02) =   0.001%
          HG3   LYS+  33 - HA    ASN   28   9.20 +/- 1.37   0.078% *  0.4409% (0.25   0.02   0.02) =   0.000%
        T QB    ALA   84 - HA    ASN   28  10.92 +/- 0.39   0.013% *  1.7643% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    ASN   28   9.91 +/- 0.41   0.022% *  0.9303% (0.53   0.02   1.84) =   0.000%
          HG    LEU   98 - HA    ASN   28  11.30 +/- 1.17   0.012% *  1.7065% (0.97   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HA    ASN   28  15.10 +/- 0.69   0.002% *  1.3514% (0.76   0.02   0.02) =   0.000%
          HB    VAL   42 - HA    ASN   28  13.89 +/- 0.70   0.003% *  0.5458% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    ASN   28  17.10 +/- 1.11   0.001% *  0.7270% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    ASN   28  18.16 +/- 1.01   0.001% *  1.0725% (0.61   0.02   0.02) =   0.000%
          HB3   PRO   93 - HA    ASN   28  20.23 +/- 0.74   0.000% *  1.7683% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HA    ASN   28  19.18 +/- 0.69   0.000% *  1.1439% (0.65   0.02   0.02) =   0.000%
        T QB    ALA  124 - HA    ASN   28  24.79 +/- 0.96   0.000% *  1.5858% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HA    ASN   28  22.45 +/- 0.85   0.000% *  0.5458% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HA    ASN   28  26.71 +/- 0.54   0.000% *  0.5458% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    ASN   28  29.29 +/- 0.56   0.000% *  0.8607% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 17.4:
          HG    LEU   31 - HA    ASN   28   2.67 +/- 0.76  98.805% * 97.1720% (0.61   3.00  17.39) =  99.990%  kept
          QD2   LEU   73 - HA    ASN   28   7.51 +/- 0.52   1.191% *  0.8162% (0.76   0.02   0.02) =   0.010%
          QD1   ILE   56 - HA    ASN   28  20.23 +/- 0.46   0.002% *  1.0308% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HA    ASN   28  24.37 +/- 0.90   0.001% *  0.8162% (0.76   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    ASN   28  23.40 +/- 0.75   0.001% *  0.1648% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 2 structures by 0.06 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   2.89 +/- 0.02  99.999% * 98.8276% (0.97   2.60   5.20) = 100.000%  kept
          HN    SER  117 - HA2   GLY   16  22.65 +/- 0.36   0.000% *  0.6310% (0.80   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY   16  27.43 +/- 0.69   0.000% *  0.5413% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.47 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   3.49 +/- 0.01  99.515% * 97.5785% (0.65   3.47  18.36) =  99.998%  kept
          HD21  ASN   69 - HA2   GLY   16   9.27 +/- 1.41   0.427% *  0.3894% (0.45   0.02   0.02) =   0.002%
          HN    ALA   61 - HA2   GLY   16  12.45 +/- 0.50   0.050% *  0.4228% (0.49   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA2   GLY   16  22.06 +/- 1.28   0.002% *  0.6955% (0.80   0.02   0.02) =   0.000%
          HN    TRP   27 - HA2   GLY   16  18.46 +/- 0.79   0.005% *  0.1340% (0.15   0.02   0.02) =   0.000%
          HN    TRP   87 - HA2   GLY   16  25.37 +/- 0.92   0.001% *  0.4228% (0.49   0.02   0.02) =   0.000%
          HN    ALA   91 - HA2   GLY   16  26.84 +/- 0.57   0.000% *  0.3571% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.75 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   3.19 +/- 0.01  99.329% * 97.5785% (0.65   3.47  18.36) =  99.997%  kept
          HD21  ASN   69 - HA1   GLY   16   8.02 +/- 1.27   0.623% *  0.3894% (0.45   0.02   0.02) =   0.003%
          HN    ALA   61 - HA1   GLY   16  11.71 +/- 0.43   0.042% *  0.4228% (0.49   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA1   GLY   16  20.55 +/- 1.41   0.002% *  0.6955% (0.80   0.02   0.02) =   0.000%
          HN    TRP   27 - HA1   GLY   16  17.74 +/- 0.88   0.004% *  0.1340% (0.15   0.02   0.02) =   0.000%
          HN    TRP   87 - HA1   GLY   16  24.03 +/- 1.09   0.001% *  0.4228% (0.49   0.02   0.02) =   0.000%
          HN    ALA   91 - HA1   GLY   16  25.63 +/- 0.72   0.000% *  0.3571% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.96 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   2.28 +/- 0.02 100.000% * 97.5109% (0.57   2.60   5.20) = 100.000%  kept
          HN    SER  117 - HA1   GLY   16  21.35 +/- 0.39   0.000% *  0.4521% (0.34   0.02   0.02) =   0.000%
          HN    SER   82 - HA1   GLY   16  26.45 +/- 0.86   0.000% *  1.3225% (1.00   0.02   0.02) =   0.000%
          HN    ILE  103 - HA1   GLY   16  21.48 +/- 1.22   0.000% *  0.2623% (0.20   0.02   0.02) =   0.000%
          HN    GLN   90 - HA1   GLY   16  24.13 +/- 1.05   0.000% *  0.4521% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2297 (1.80, 2.21, 33.80 ppm):
    18 chemical-shift based assignments, quality = 0.584, support = 4.31, residual support = 83.8:
      O T HB3   GLN   17 - QG    GLN   17   2.42 +/- 0.07  98.986% * 96.7276% (0.58   4.31  83.81) =  99.998%  kept
          QB    LYS+  65 - QG    GLN   17   7.45 +/- 1.27   0.254% *  0.5664% (0.74   0.02   0.02) =   0.002%
          HB2   LEU   71 - HB    VAL   70   6.37 +/- 0.32   0.314% *  0.1178% (0.15   0.02  31.30) =   0.000%
          HB2   LEU   71 - QG    GLN   17   9.39 +/- 1.30   0.045% *  0.5753% (0.75   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB    VAL   70   7.10 +/- 0.83   0.199% *  0.0494% (0.06   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG    GLN   17  10.20 +/- 0.90   0.021% *  0.2413% (0.31   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB    VAL   70   9.25 +/- 0.81   0.036% *  0.1160% (0.15   0.02   0.02) =   0.000%
          HB    VAL   41 - HB    VAL   70   8.16 +/- 0.69   0.082% *  0.0300% (0.04   0.02   2.71) =   0.000%
        T HB3   GLN   17 - HB    VAL   70  11.28 +/- 0.76   0.011% *  0.0919% (0.12   0.02   0.02) =   0.000%
          HB    VAL   41 - QG    GLN   17  12.68 +/- 1.25   0.006% *  0.1463% (0.19   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB    VAL   70   9.42 +/- 0.91   0.036% *  0.0185% (0.02   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB    VAL   70  13.29 +/- 1.06   0.004% *  0.1078% (0.14   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG    GLN   17  18.21 +/- 0.73   0.001% *  0.4031% (0.52   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG    GLN   17  19.60 +/- 1.00   0.000% *  0.5263% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG    GLN   17  17.59 +/- 0.90   0.001% *  0.0906% (0.12   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB    VAL   70  13.62 +/- 0.60   0.003% *  0.0185% (0.02   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG    GLN   17  19.27 +/- 0.84   0.000% *  0.0906% (0.12   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB    VAL   70  19.04 +/- 0.66   0.000% *  0.0826% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.01 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2298 (7.70, 2.21, 33.80 ppm):
    14 chemical-shift based assignments, quality = 0.494, support = 5.63, residual support = 83.8:
          HN    GLN   17 - QG    GLN   17   2.56 +/- 0.57  95.480% * 98.1173% (0.49   5.63  83.81) =  99.997%  kept
          HD21  ASN   69 - HB    VAL   70   4.96 +/- 0.77   4.185% *  0.0495% (0.07   0.02  28.01) =   0.002%
          HN    ALA   61 - QG    GLN   17   9.60 +/- 0.91   0.135% *  0.2625% (0.37   0.02   0.02) =   0.000%
          HN    GLN   17 - HB    VAL   70   8.81 +/- 0.72   0.141% *  0.0714% (0.10   0.02   0.02) =   0.000%
          HD21  ASN   69 - QG    GLN   17  11.57 +/- 0.84   0.024% *  0.2417% (0.34   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    VAL   70  11.77 +/- 0.78   0.022% *  0.0538% (0.08   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG    GLN   17  18.55 +/- 1.13   0.001% *  0.4318% (0.61   0.02   0.02) =   0.000%
          HN    TRP   27 - QG    GLN   17  13.75 +/- 1.55   0.004% *  0.0832% (0.12   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    VAL   70  15.61 +/- 0.62   0.003% *  0.0884% (0.13   0.02   0.02) =   0.000%
          HN    TRP   87 - QG    GLN   17  20.71 +/- 0.97   0.000% *  0.2625% (0.37   0.02   0.02) =   0.000%
          HN    ALA   91 - QG    GLN   17  21.62 +/- 0.49   0.000% *  0.2217% (0.31   0.02   0.02) =   0.000%
          HN    TRP   87 - HB    VAL   70  20.10 +/- 0.46   0.001% *  0.0538% (0.08   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    VAL   70  17.68 +/- 0.45   0.002% *  0.0170% (0.02   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    VAL   70  22.24 +/- 0.69   0.000% *  0.0454% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 51.1:
          HN    VAL   18 - QG    GLN   17   3.48 +/- 0.11  98.990% * 99.7451% (0.76   5.81  51.08) =  99.999%  kept
          HN    SER   13 - QG    GLN   17   8.59 +/- 1.42   0.800% *  0.0766% (0.17   0.02   0.02) =   0.001%
          HN    VAL   18 - HB    VAL   70  10.32 +/- 0.94   0.173% *  0.0703% (0.16   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG    GLN   17  14.46 +/- 1.68   0.023% *  0.0766% (0.17   0.02   0.02) =   0.000%
          HN    SER   13 - HB    VAL   70  17.10 +/- 1.49   0.008% *  0.0157% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB    VAL   70  17.66 +/- 0.42   0.006% *  0.0157% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2300 (7.70, 1.79, 31.50 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 5.29, residual support = 83.8:
      O   HN    GLN   17 - HB3   GLN   17   3.18 +/- 0.27  99.855% * 98.3968% (0.65   5.29  83.81) = 100.000%  kept
          HN    ALA   61 - HB3   GLN   17  10.40 +/- 0.69   0.105% *  0.2799% (0.49   0.02   0.02) =   0.000%
          HD21  ASN   69 - HB3   GLN   17  12.90 +/- 1.17   0.032% *  0.2578% (0.45   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   GLN   17  21.39 +/- 0.63   0.001% *  0.4605% (0.80   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   GLN   17  16.43 +/- 0.69   0.006% *  0.0887% (0.15   0.02   0.02) =   0.000%
          HN    TRP   87 - HB3   GLN   17  23.90 +/- 0.54   0.001% *  0.2799% (0.49   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   GLN   17  24.60 +/- 0.74   0.000% *  0.2364% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 51.1:
          HN    VAL   18 - HB3   GLN   17   3.68 +/- 0.03  99.591% * 99.8372% (1.00   5.47  51.08) = 100.000%  kept
          HN    SER   13 - HB3   GLN   17  10.34 +/- 1.36   0.399% *  0.0814% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   GLN   17  17.29 +/- 0.78   0.010% *  0.0814% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2302 (1.80, 4.42, 54.38 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 4.0, residual support = 83.8:
      O T HB3   GLN   17 - HA    GLN   17   2.61 +/- 0.27  98.896% * 97.1413% (0.76   4.00  83.81) =  99.993%  kept
          QB    LYS+  65 - HA    GLN   17   6.01 +/- 0.52   0.974% *  0.6134% (0.97   0.02   0.02) =   0.006%
          QB    LYS+  66 - HA    GLN   17   8.86 +/- 0.49   0.086% *  0.2613% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    GLN   17  10.08 +/- 0.60   0.034% *  0.6230% (0.98   0.02   0.02) =   0.000%
          HB    VAL   41 - HA    GLN   17  13.41 +/- 0.81   0.007% *  0.1585% (0.25   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    GLN   17  18.68 +/- 0.76   0.001% *  0.4366% (0.69   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    GLN   17  20.67 +/- 0.89   0.000% *  0.5700% (0.90   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HA    GLN   17  18.14 +/- 0.89   0.001% *  0.0981% (0.15   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    GLN   17  20.20 +/- 0.52   0.001% *  0.0981% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.05 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2303 (1.80, 2.01, 31.84 ppm):
    27 chemical-shift based assignments, quality = 0.185, support = 4.0, residual support = 83.8:
      O T HB3   GLN   17 - HB2   GLN   17   1.75 +/- 0.00  99.722% * 86.6210% (0.18   4.00  83.81) =  99.998%  kept
          QB    LYS+  66 - HB3   PRO   68   6.85 +/- 1.15   0.105% *  0.5846% (0.25   0.02   0.02) =   0.001%
        T HB3   GLN   17 - QB    GLU-  15   6.21 +/- 0.57   0.075% *  0.4861% (0.21   0.02   0.67) =   0.000%
          QB    LYS+  65 - HB3   PRO   68   7.66 +/- 1.36   0.026% *  1.3722% (0.59   0.02   0.02) =   0.000%
          HB2   LEU   71 - QB    GLU-  15   7.50 +/- 1.65   0.032% *  0.6235% (0.27   0.02   0.02) =   0.000%
          QB    LYS+  65 - HB2   GLN   17   7.58 +/- 0.66   0.018% *  0.5469% (0.23   0.02   0.02) =   0.000%
        T HB3   GLN   17 - HB3   PRO   68  10.33 +/- 2.82   0.009% *  1.0867% (0.46   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB3   PRO   68  11.62 +/- 0.99   0.001% *  1.3937% (0.59   0.02   0.02) =   0.000%
          QB    LYS+  65 - QB    GLU-  15  10.16 +/- 0.50   0.003% *  0.6139% (0.26   0.02   0.02) =   0.000%
          HB2   LEU   71 - HB2   GLN   17  11.27 +/- 0.60   0.001% *  0.5555% (0.24   0.02   0.02) =   0.000%
          QB    LYS+  66 - HB2   GLN   17  10.95 +/- 0.55   0.002% *  0.2330% (0.10   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    GLU-  15  11.43 +/- 0.54   0.001% *  0.2615% (0.11   0.02   0.02) =   0.000%
          HB    VAL   41 - QB    GLU-  15  11.63 +/- 1.62   0.002% *  0.1586% (0.07   0.02   0.02) =   0.000%
          HB    VAL   41 - HB3   PRO   68  15.01 +/- 0.89   0.000% *  0.3546% (0.15   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB3   PRO   68  19.16 +/- 1.54   0.000% *  1.2752% (0.54   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QB    GLU-  15  18.29 +/- 1.59   0.000% *  0.5705% (0.24   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB3   PRO   68  15.85 +/- 1.55   0.000% *  0.2194% (0.09   0.02   0.02) =   0.000%
          HB    VAL   41 - HB2   GLN   17  14.56 +/- 0.79   0.000% *  0.1413% (0.06   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB2   GLN   17  19.02 +/- 0.91   0.000% *  0.3893% (0.17   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QB    GLU-  15  15.97 +/- 1.81   0.000% *  0.0981% (0.04   0.02   0.02) =   0.000%
          HG2   PRO   93 - HB3   PRO   68  23.59 +/- 0.84   0.000% *  0.9767% (0.42   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HB2   GLN   17  22.16 +/- 0.84   0.000% *  0.5083% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   93 - QB    GLU-  15  22.09 +/- 0.73   0.000% *  0.4369% (0.19   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB3   PRO   68  20.91 +/- 1.01   0.000% *  0.2194% (0.09   0.02   0.02) =   0.000%
          HG12  ILE  103 - QB    GLU-  15  19.02 +/- 1.46   0.000% *  0.0981% (0.04   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   GLN   17  20.03 +/- 0.86   0.000% *  0.0874% (0.04   0.02   0.02) =   0.000%
          HG12  ILE  103 - HB2   GLN   17  21.51 +/- 0.47   0.000% *  0.0874% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2304 (4.75, 2.01, 31.84 ppm):
    3 chemical-shift based assignments, quality = 0.187, support = 2.96, residual support = 35.6:
      O   HA    PRO   68 - HB3   PRO   68   2.43 +/- 0.20  99.568% * 99.4311% (0.19   2.96  35.64) =  99.999%  kept
          HA    PRO   68 - QB    GLU-  15   7.31 +/- 1.74   0.372% *  0.3008% (0.08   0.02   0.02) =   0.001%
          HA    PRO   68 - HB2   GLN   17   9.80 +/- 2.19   0.059% *  0.2680% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 51.1:
          HN    VAL   18 - HB2   GLN   17   2.27 +/- 0.05  99.481% * 97.9601% (0.24   5.47  51.08) =  99.999%  kept
          HN    SER   13 - QB    GLU-  15   6.54 +/- 1.29   0.438% *  0.0897% (0.06   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    GLU-  15   8.15 +/- 0.41   0.051% *  0.4018% (0.27   0.02   0.02) =   0.000%
          HN    VAL   18 - HB3   PRO   68  11.39 +/- 2.24   0.013% *  0.8982% (0.61   0.02   0.02) =   0.000%
          HN    SER   13 - HB2   GLN   17  11.30 +/- 1.49   0.012% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    SER   13 - HB3   PRO   68  15.58 +/- 2.90   0.002% *  0.2004% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  15  13.87 +/- 1.18   0.002% *  0.0897% (0.06   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   GLN   17  16.83 +/- 0.48   0.001% *  0.0799% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   PRO   68  22.40 +/- 1.41   0.000% *  0.2004% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 51.1:
      O   HN    VAL   18 - HA    GLN   17   2.59 +/- 0.03  99.999% * 99.7203% (0.84   5.47  51.08) = 100.000%  kept
          HN    GLU-  29 - HA    GLN   17  17.41 +/- 0.45   0.001% *  0.2124% (0.49   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   17  23.94 +/- 0.37   0.000% *  0.0673% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2307 (0.38, 4.42, 54.38 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 1.22, residual support = 2.45:
        T QB    ALA   64 - HA    GLN   17   3.02 +/- 0.16  99.829% * 97.0200% (0.69   1.22   2.45) =  99.998%  kept
        T QG1   VAL   42 - HA    GLN   17   9.00 +/- 0.53   0.166% *  1.1234% (0.49   0.02   0.02) =   0.002%
        T QB    ALA   47 - HA    GLN   17  16.95 +/- 0.52   0.003% *  1.3999% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HA    GLN   17  18.81 +/- 0.73   0.002% *  0.4567% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2308 (8.28, 1.96, 32.56 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.99, residual support = 78.4:
      O   HN    VAL   18 - HB    VAL   18   2.42 +/- 0.40  99.997% * 99.6934% (0.84   4.99  78.41) = 100.000%  kept
          HN    GLU-  29 - HB    VAL   18  16.01 +/- 0.59   0.002% *  0.2328% (0.49   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB    VAL   18  20.63 +/- 0.81   0.001% *  0.0738% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 1 structures by 0.03 A, kept.
 
    Peak 2309 (2.84, 4.00, 62.64 ppm):
    3 chemical-shift based assignments, quality = 0.505, support = 0.75, residual support = 3.41:
        T HB2   PHE   72 - HA    VAL   18   2.76 +/- 0.52  98.127% * 33.0475% (0.49   0.75   3.23) =  96.303%  kept
          HA    ALA   64 - HA    VAL   18   5.62 +/- 0.50   1.871% * 66.5494% (0.98   0.75   8.16) =   3.697%  kept
        T HB3   ASN   35 - HA    VAL   18  17.37 +/- 0.56   0.002% *  0.4031% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 4.82, residual support = 22.6:
      O   HN    ILE   19 - HA    VAL   18   2.21 +/- 0.04  99.273% * 98.8311% (0.73   4.82  22.56) =  99.996%  kept
          HN    LEU   73 - HA    VAL   18   5.15 +/- 0.30   0.660% *  0.5216% (0.92   0.02   0.02) =   0.004%
          HN    VAL   42 - HA    VAL   18   7.56 +/- 0.37   0.067% *  0.5216% (0.92   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   18  17.75 +/- 0.24   0.000% *  0.1258% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.83 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 = 0.405, support = 0.018, residual support = 1.22:
          HG    LEU   73 - QG1   VAL   18   6.39 +/- 0.80  24.062% *  8.7275% (0.61   0.02   0.02) =  49.381%  kept
          QB    ALA   61 - QG1   VAL   18   5.16 +/- 0.49  68.482% *  2.2202% (0.15   0.02   3.37) =  35.752%  kept
          HG    LEU   67 - QG1   VAL   18   9.89 +/- 0.97   1.507% * 14.3572% (1.00   0.02   0.02) =   5.089%  kept
          HG    LEU   40 - QG1   VAL   18  11.28 +/- 1.25   0.688% * 14.2618% (0.99   0.02   0.02) =   2.308%
          HB3   LEU   67 - QG1   VAL   18   9.16 +/- 1.05   2.471% *  3.5880% (0.25   0.02   0.02) =   2.085%
          QG    LYS+  66 - QG1   VAL   18   9.81 +/- 0.85   1.364% *  5.9156% (0.41   0.02   0.02) =   1.898%
          HB3   LEU  115 - QG1   VAL   18  11.50 +/- 0.46   0.506% * 14.2618% (0.99   0.02   0.02) =   1.698%
          HG    LEU  115 - QG1   VAL   18  12.79 +/- 1.02   0.316% *  9.8840% (0.69   0.02   0.02) =   0.735%
          HB3   LEU   40 - QG1   VAL   18  12.17 +/- 1.28   0.431% *  6.4511% (0.45   0.02   0.02) =   0.654%
          QB    ALA  120 - QG1   VAL   18  14.11 +/- 0.51   0.147% *  9.8840% (0.69   0.02   0.02) =   0.342%
          HG2   LYS+ 102 - QG1   VAL   18  19.29 +/- 1.14   0.023% * 10.4487% (0.73   0.02   0.02) =   0.058%
    Distance limit 2.97 A violated in 20 structures by 1.82 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 = 9.05:
        T QB    ALA   34 - QG1   VAL   41   1.78 +/- 0.23  99.904% * 94.2977% (0.49   2.96   9.05) = 100.000%  kept
          QG2   ILE   56 - QG2   VAL   18   7.03 +/- 0.39   0.037% *  0.3091% (0.24   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG1   VAL   41   7.49 +/- 0.50   0.024% *  0.2295% (0.18   0.02   0.02) =   0.000%
          QG2   THR   77 - QG2   VAL   18   9.84 +/- 0.61   0.005% *  0.6073% (0.46   0.02   0.02) =   0.000%
        T QB    ALA   34 - QG2   VAL   18   9.50 +/- 0.33   0.006% *  0.4874% (0.37   0.02   0.02) =   0.000%
          QG2   THR   77 - QG1   VAL   41  12.38 +/- 0.45   0.001% *  0.7947% (0.61   0.02   0.02) =   0.000%
          QB    ALA   88 - QG1   VAL   41  11.55 +/- 0.79   0.003% *  0.3267% (0.25   0.02   0.02) =   0.000%
          QG2   THR   23 - QG2   VAL   18  12.65 +/- 0.42   0.001% *  0.8364% (0.64   0.02   0.02) =   0.000%
          QG2   THR   23 - QG1   VAL   41  13.50 +/- 0.20   0.001% *  1.0944% (0.84   0.02   0.02) =   0.000%
        T QG2   ILE   56 - QG1   VAL   41  12.70 +/- 0.32   0.001% *  0.4044% (0.31   0.02   0.02) =   0.000%
          QB    ALA   34 - QD2   LEU  104   8.71 +/- 0.50   0.010% *  0.0343% (0.03   0.02   0.02) =   0.000%
          QB    ALA   88 - QG2   VAL   18  14.25 +/- 0.64   0.001% *  0.2497% (0.19   0.02   0.02) =   0.000%
          QB    ALA   88 - QD2   LEU  104  11.34 +/- 0.65   0.002% *  0.0175% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD2   LEU  104  10.91 +/- 0.82   0.003% *  0.0123% (0.01   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QG2   VAL   18  17.72 +/- 0.48   0.000% *  0.1754% (0.13   0.02   0.02) =   0.000%
          QG2   THR   77 - QD2   LEU  104  14.90 +/- 0.44   0.000% *  0.0427% (0.03   0.02   0.02) =   0.000%
          QG2   ILE   56 - QD2   LEU  104  13.77 +/- 0.60   0.001% *  0.0217% (0.02   0.02   0.02) =   0.000%
          QG2   THR   23 - QD2   LEU  104  19.34 +/- 0.54   0.000% *  0.0588% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.56 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 = 3.67, residual support = 69.0:
      O T HB    VAL   41 - QG1   VAL   41   2.13 +/- 0.02  86.760% * 93.0646% (0.84   3.67  68.97) =  99.978%  kept
          HB2   LEU   71 - QG1   VAL   41   3.91 +/- 0.56   3.191% *  0.4175% (0.69   0.02   2.75) =   0.016%
          QB    LYS+ 102 - QD2   LEU  104   3.31 +/- 0.54   8.748% *  0.0273% (0.04   0.02   0.38) =   0.003%
          QB    LYS+  65 - QG2   VAL   18   5.71 +/- 0.64   0.301% *  0.3373% (0.55   0.02   0.02) =   0.001%
          HB3   GLN   17 - QG2   VAL   18   5.28 +/- 0.53   0.466% *  0.0919% (0.15   0.02  51.08) =   0.001%
          HG12  ILE  103 - QG1   VAL   41   7.40 +/- 0.64   0.060% *  0.4175% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG2   VAL   18   7.71 +/- 0.52   0.042% *  0.4483% (0.74   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG1   VAL   41   7.99 +/- 0.77   0.036% *  0.5077% (0.84   0.02   0.02) =   0.000%
          HG12  ILE  103 - QD2   LEU  104   5.70 +/- 0.50   0.323% *  0.0224% (0.04   0.02  38.55) =   0.000%
          HB2   LEU   71 - QG2   VAL   18   8.80 +/- 0.46   0.018% *  0.3191% (0.52   0.02   0.02) =   0.000%
        T HB    VAL   41 - QG2   VAL   18  10.27 +/- 0.72   0.008% *  0.3880% (0.64   0.02   0.02) =   0.000%
          QB    LYS+  66 - QG1   VAL   41  11.82 +/- 0.45   0.003% *  0.5866% (0.97   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG2   VAL   18  11.66 +/- 0.67   0.003% *  0.4553% (0.75   0.02   0.02) =   0.000%
          QB    LYS+  65 - QG1   VAL   41  13.13 +/- 0.32   0.002% *  0.4414% (0.73   0.02   0.02) =   0.000%
        T HB    VAL   41 - QD2   LEU  104   8.67 +/- 0.92   0.022% *  0.0273% (0.04   0.02   0.02) =   0.000%
          HG    LEU  123 - QG2   VAL   18  13.10 +/- 0.53   0.002% *  0.1910% (0.31   0.02   0.02) =   0.000%
          HG12  ILE  103 - QG2   VAL   18  14.83 +/- 0.73   0.001% *  0.3191% (0.52   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  12.95 +/- 0.60   0.002% *  0.1203% (0.20   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG2   VAL   18  14.01 +/- 0.49   0.001% *  0.1910% (0.31   0.02   0.02) =   0.000%
          HG2   PRO   93 - QG1   VAL   41  16.99 +/- 0.56   0.000% *  0.5958% (0.98   0.02   0.02) =   0.000%
          QB    LYS+ 102 - QG2   VAL   18  16.20 +/- 0.58   0.000% *  0.3880% (0.64   0.02   0.02) =   0.000%
          HG    LEU  123 - QG1   VAL   41  15.76 +/- 0.58   0.001% *  0.2499% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   71 - QD2   LEU  104  11.15 +/- 0.65   0.004% *  0.0224% (0.04   0.02   0.02) =   0.000%
          QB    LYS+  66 - QD2   LEU  104  12.20 +/- 0.60   0.003% *  0.0315% (0.05   0.02   0.02) =   0.000%
          HB3   PRO   52 - QG1   VAL   41  20.46 +/- 0.46   0.000% *  0.2499% (0.41   0.02   0.02) =   0.000%
          HG    LEU  123 - QD2   LEU  104  13.02 +/- 0.61   0.002% *  0.0134% (0.02   0.02   0.02) =   0.000%
          QB    LYS+  65 - QD2   LEU  104  15.27 +/- 0.52   0.001% *  0.0237% (0.04   0.02   0.02) =   0.000%
          HG2   PRO   93 - QD2   LEU  104  17.51 +/- 0.50   0.000% *  0.0320% (0.05   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  18.61 +/- 0.81   0.000% *  0.0065% (0.01   0.02   0.02) =   0.000%
          HB3   PRO   52 - QD2   LEU  104  21.15 +/- 0.55   0.000% *  0.0134% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.66 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 = 0.883, support = 0.0198, residual support = 1.38:
          HB2   LYS+  74 - QG2   VAL   18   4.45 +/- 1.41  51.875% * 10.4543% (0.99   0.02   0.99) =  62.136%  kept
          HG2   LYS+  65 - QG2   VAL   18   4.89 +/- 1.26  35.046% *  8.0608% (0.76   0.02   0.02) =  32.367%  kept
          HB3   LEU   40 - QG1   VAL   41   5.01 +/- 0.15   7.593% *  4.8891% (0.46   0.02  17.85) =   4.253%  kept
          HB3   LEU   40 - QD2   LEU  104   6.18 +/- 0.96   3.511% *  0.9830% (0.09   0.02   0.02) =   0.395%
          QG2   THR   26 - QG2   VAL   18   8.75 +/- 0.47   0.274% *  8.8101% (0.84   0.02   0.02) =   0.277%
          QG2   THR   26 - QG1   VAL   41   9.06 +/- 0.42   0.225% *  6.7329% (0.64   0.02   0.02) =   0.174%
          QD    LYS+  66 - QG2   VAL   18   8.88 +/- 0.69   0.282% *  3.2555% (0.31   0.02   0.02) =   0.105%
          HD2   LYS+ 121 - QD2   LEU  104   7.93 +/- 1.13   0.775% *  1.1133% (0.11   0.02   0.02) =   0.099%
          HB2   LYS+  74 - QG1   VAL   41  11.29 +/- 0.63   0.060% *  7.9895% (0.76   0.02   0.02) =   0.055%
          HB3   LEU   40 - QG2   VAL   18  11.44 +/- 0.92   0.065% *  6.3975% (0.61   0.02   0.02) =   0.048%
          HG    LEU  115 - QG2   VAL   18  11.64 +/- 0.96   0.056% *  3.9586% (0.38   0.02   0.02) =   0.026%
          QB    ALA  120 - QG2   VAL   18  12.72 +/- 0.37   0.029% *  3.9586% (0.38   0.02   0.02) =   0.013%
          HD2   LYS+ 121 - QG1   VAL   41  13.85 +/- 1.08   0.019% *  5.5370% (0.52   0.02   0.02) =   0.012%
          HG2   LYS+  65 - QG1   VAL   41  14.19 +/- 0.61   0.015% *  6.1603% (0.58   0.02   0.02) =   0.011%
          HD2   LYS+ 121 - QG2   VAL   18  15.70 +/- 0.91   0.009% *  7.2452% (0.69   0.02   0.02) =   0.007%
          QB    ALA  120 - QD2   LEU  104  10.64 +/- 0.34   0.085% *  0.6083% (0.06   0.02   0.02) =   0.006%
          QB    ALA  120 - QG1   VAL   41  14.22 +/- 0.28   0.015% *  3.0253% (0.29   0.02   0.02) =   0.005%
          QD    LYS+  66 - QG1   VAL   41  13.95 +/- 0.49   0.016% *  2.4879% (0.24   0.02   0.02) =   0.005%
          HG    LEU  115 - QG1   VAL   41  16.73 +/- 0.86   0.006% *  3.0253% (0.29   0.02   0.02) =   0.002%
          QG2   THR   26 - QD2   LEU  104  15.57 +/- 0.77   0.009% *  1.3538% (0.13   0.02   0.02) =   0.001%
          HB2   LYS+  74 - QD2   LEU  104  16.70 +/- 0.88   0.006% *  1.6064% (0.15   0.02   0.02) =   0.001%
          QD    LYS+  66 - QD2   LEU  104  14.41 +/- 0.71   0.014% *  0.5002% (0.05   0.02   0.02) =   0.001%
          HG    LEU  115 - QD2   LEU  104  15.11 +/- 0.57   0.010% *  0.6083% (0.06   0.02   0.02) =   0.001%
          HG2   LYS+  65 - QD2   LEU  104  17.54 +/- 0.68   0.004% *  1.2386% (0.12   0.02   0.02) =   0.001%
    Distance limit 2.89 A violated in 17 structures by 0.39 A, eliminated.
    Peak unassigned.
 
    Peak 2315 (3.75, 0.75, 22.78 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 0.987, residual support = 3.37:
        T HA    ALA   61 - QG2   VAL   18   2.86 +/- 0.33  99.633% * 91.4762% (0.87   0.99   3.37) =  99.996%  kept
          HD2   PRO   68 - QG2   VAL   18   9.64 +/- 0.54   0.077% *  2.0944% (0.98   0.02   0.02) =   0.002%
          HD2   PRO   68 - QG1   VAL   41  10.95 +/- 1.05   0.048% *  1.6006% (0.75   0.02   0.02) =   0.001%
          HD3   PRO   58 - QG2   VAL   18   8.60 +/- 0.26   0.158% *  0.4229% (0.20   0.02   0.02) =   0.001%
          HA    VAL   24 - QG1   VAL   41  11.39 +/- 0.25   0.029% *  0.7948% (0.37   0.02   0.02) =   0.000%
        T HA    ALA   61 - QG1   VAL   41  13.39 +/- 0.39   0.011% *  1.4165% (0.66   0.02   0.02) =   0.000%
          HA    VAL   24 - QG2   VAL   18  13.59 +/- 0.41   0.011% *  1.0401% (0.49   0.02   0.02) =   0.000%
          HD2   PRO   68 - QD2   LEU  104  12.58 +/- 1.46   0.023% *  0.3218% (0.15   0.02   0.02) =   0.000%
          HA    ALA   61 - QD2   LEU  104  16.68 +/- 0.69   0.003% *  0.2848% (0.13   0.02   0.02) =   0.000%
          HD3   PRO   58 - QG1   VAL   41  17.20 +/- 0.30   0.003% *  0.3232% (0.15   0.02   0.02) =   0.000%
          HA    VAL   24 - QD2   LEU  104  18.15 +/- 0.67   0.002% *  0.1598% (0.07   0.02   0.02) =   0.000%
          HD3   PRO   58 - QD2   LEU  104  18.15 +/- 0.55   0.002% *  0.0650% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 1 structures by 0.12 A, kept.
 
    Peak 2316 (4.86, 0.76, 22.78 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 3.97, residual support = 69.0:
      O T HA    VAL   41 - QG1   VAL   41   2.79 +/- 0.26  99.267% * 97.8291% (0.65   3.97  68.97) =  99.998%  kept
          HA    PHE   45 - QG2   VAL   18   8.51 +/- 0.67   0.171% *  0.5812% (0.76   0.02   0.02) =   0.001%
        T HA    VAL   41 - QG2   VAL   18   8.78 +/- 0.50   0.130% *  0.3768% (0.49   0.02   0.02) =   0.001%
          HA    PHE   45 - QG1   VAL   41  11.74 +/- 0.44   0.023% *  0.7604% (1.00   0.02   0.02) =   0.000%
          HA    HIS  122 - QG1   VAL   41  11.59 +/- 0.48   0.023% *  0.2119% (0.28   0.02   0.02) =   0.000%
        T HA    VAL   41 - QD2   LEU  104   8.88 +/- 0.61   0.126% *  0.0265% (0.03   0.02   0.02) =   0.000%
          HA    HIS  122 - QD2   LEU  104   7.99 +/- 0.57   0.246% *  0.0114% (0.01   0.02   0.02) =   0.000%
          HA    HIS  122 - QG2   VAL   18  12.95 +/- 0.55   0.011% *  0.1619% (0.21   0.02   0.02) =   0.000%
          HA    PHE   45 - QD2   LEU  104  15.61 +/- 0.60   0.004% *  0.0408% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.37 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 = 3.05:
          QD    PHE   60 - QG1   VAL   18   2.84 +/- 0.42  99.420% * 95.5540% (1.00   0.75   3.05) =  99.995%  kept
          HN    LYS+  66 - QG1   VAL   18   8.90 +/- 0.63   0.141% *  1.7503% (0.69   0.02   0.02) =   0.003%
          QE    PHE   59 - QG1   VAL   18   7.55 +/- 0.64   0.430% *  0.5673% (0.22   0.02   0.02) =   0.003%
          HN    LYS+  81 - QG1   VAL   18  14.17 +/- 0.38   0.009% *  2.1284% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2318 (8.26, 0.86, 22.91 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 5.49, residual support = 78.4:
          HN    VAL   18 - QG1   VAL   18   3.56 +/- 0.15  99.938% * 99.8233% (0.92   5.49  78.41) = 100.000%  kept
          HN    SER   13 - QG1   VAL   18  13.01 +/- 1.42   0.062% *  0.1767% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2319 (8.45, 0.86, 22.91 ppm):
    4 chemical-shift based assignments, quality = 0.308, support = 0.986, residual support = 0.986:
          HN    LYS+  74 - QG1   VAL   18   3.59 +/- 0.26  98.650% * 88.9052% (0.31   0.99   0.99) =  99.935%  kept
          HN    THR   46 - QG1   VAL   18   7.50 +/- 0.41   1.308% *  4.2380% (0.73   0.02   0.02) =   0.063%
          HN    MET   92 - QG1   VAL   18  14.01 +/- 0.42   0.030% *  5.2341% (0.90   0.02   0.02) =   0.002%
          HN    ASP- 113 - QG1   VAL   18  16.44 +/- 0.29   0.011% *  1.6227% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 3 structures by 0.15 A, kept.
 
    Peak 2320 (8.92, 0.86, 22.91 ppm):
    3 chemical-shift based assignments, quality = 0.835, support = 4.82, residual support = 22.6:
          HN    ILE   19 - QG1   VAL   18   2.71 +/- 0.28  94.100% * 99.8037% (0.84   4.82  22.56) =  99.994%  kept
          HN    LEU   73 - QG1   VAL   18   4.64 +/- 0.89   5.679% *  0.0982% (0.20   0.02   0.02) =   0.006%
          HN    VAL   42 - QG1   VAL   18   7.51 +/- 0.93   0.220% *  0.0982% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 2.3, residual support = 3.05:
          QD    PHE   60 - QG2   VAL   18   2.76 +/- 0.40  98.112% * 94.8700% (0.80   2.30   3.05) =  99.986%  kept
          HN    LYS+  66 - QG2   VAL   18   6.63 +/- 0.62   0.872% *  1.0082% (0.98   0.02   0.02) =   0.009%
          QE    PHE   59 - QG2   VAL   18   6.80 +/- 0.65   0.542% *  0.5823% (0.57   0.02   0.02) =   0.003%
          HN    PHE   59 - QG2   VAL   18   7.70 +/- 0.28   0.260% *  0.2290% (0.22   0.02   0.02) =   0.001%
          QD    PHE   60 - QG1   VAL   41   9.64 +/- 0.37   0.068% *  0.6294% (0.61   0.02   0.02) =   0.000%
          QE    PHE   59 - QG1   VAL   41  10.18 +/- 0.43   0.050% *  0.4450% (0.43   0.02   0.02) =   0.000%
          HN    LYS+  66 - QG1   VAL   41  12.74 +/- 0.39   0.013% *  0.7705% (0.75   0.02   0.02) =   0.000%
          QE    PHE   59 - QD2   LEU  104  10.17 +/- 0.48   0.050% *  0.0895% (0.09   0.02   0.02) =   0.000%
          QD    PHE   60 - QD2   LEU  104  12.30 +/- 0.79   0.016% *  0.1266% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG2   VAL   18  16.08 +/- 0.65   0.003% *  0.4611% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG1   VAL   41  16.22 +/- 0.56   0.003% *  0.3524% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD2   LEU  104  14.52 +/- 0.61   0.006% *  0.1549% (0.15   0.02   0.02) =   0.000%
          HN    PHE   59 - QG1   VAL   41  15.75 +/- 0.30   0.004% *  0.1750% (0.17   0.02   0.02) =   0.000%
          HN    PHE   59 - QD2   LEU  104  16.53 +/- 0.53   0.003% *  0.0352% (0.03   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD2   LEU  104  20.99 +/- 0.64   0.001% *  0.0709% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 5.28, residual support = 78.4:
          HN    VAL   18 - QG2   VAL   18   2.41 +/- 0.51  99.777% * 98.1508% (0.61   5.28  78.41) = 100.000%  kept
          HN    GLN   30 - QG1   VAL   41   7.89 +/- 0.26   0.141% *  0.1167% (0.19   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG1   VAL   41   9.70 +/- 0.22   0.038% *  0.3398% (0.55   0.02   0.02) =   0.000%
          HN    VAL   18 - QG1   VAL   41  11.86 +/- 0.39   0.012% *  0.2839% (0.46   0.02   0.02) =   0.000%
          HN    GLU-  29 - QG2   VAL   18  13.75 +/- 0.47   0.005% *  0.4447% (0.73   0.02   0.02) =   0.000%
          HN    GLN   30 - QG2   VAL   18  11.87 +/- 0.45   0.013% *  0.1527% (0.25   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG1   VAL   41  13.43 +/- 0.71   0.006% *  0.1445% (0.24   0.02   0.02) =   0.000%
          HN    ASP-  86 - QG2   VAL   18  16.90 +/- 0.68   0.002% *  0.1890% (0.31   0.02   0.02) =   0.000%
          HN    GLU-  29 - QD2   LEU  104  17.72 +/- 0.62   0.001% *  0.0683% (0.11   0.02   0.02) =   0.000%
          HN    VAL   18 - QD2   LEU  104  17.16 +/- 0.75   0.001% *  0.0571% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  86 - QD2   LEU  104  16.37 +/- 0.55   0.002% *  0.0290% (0.05   0.02   0.02) =   0.000%
          HN    GLN   30 - QD2   LEU  104  16.16 +/- 0.65   0.002% *  0.0235% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.02 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 = 4.27, residual support = 69.0:
          HN    VAL   41 - QG1   VAL   41   2.18 +/- 0.23  99.729% * 98.3990% (0.14   4.27  68.97) = 100.000%  kept
          HN    VAL   41 - QD2   LEU  104   6.61 +/- 0.63   0.192% *  0.0247% (0.01   0.02   0.02) =   0.000%
          HN    VAL   41 - QG2   VAL   18  10.88 +/- 0.49   0.008% *  0.3520% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG1   VAL   41  11.91 +/- 0.40   0.004% *  0.6734% (0.20   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QD2   LEU  104   7.59 +/- 0.19   0.065% *  0.0362% (0.01   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QG2   VAL   18  14.27 +/- 0.40   0.002% *  0.5147% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2325 (6.61, 0.60, 22.78 ppm):
    4 chemical-shift based assignments, quality = 0.357, support = 5.38, residual support = 87.8:
          HN    VAL   83 - QG1   VAL   83   2.38 +/- 0.16  99.938% * 98.5455% (0.36   5.38  87.80) = 100.000%  kept
          HE22  GLN   30 - QG1   VAL   83   8.75 +/- 1.21   0.059% *  0.1764% (0.17   0.02   0.02) =   0.000%
          HN    CYS   50 - QG1   VAL   83  15.17 +/- 0.75   0.002% *  0.7733% (0.75   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   83  15.12 +/- 0.72   0.002% *  0.5047% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2326 (1.09, 0.60, 22.78 ppm):
    5 chemical-shift based assignments, quality = 0.456, support = 1.16, residual support = 2.21:
          QG1   VAL   24 - QG1   VAL   83   2.48 +/- 0.90  53.293% * 52.5755% (0.46   1.23   2.21) =  57.278%  kept
        T QG2   VAL   24 - QG1   VAL   83   2.40 +/- 0.47  46.703% * 44.7478% (0.46   1.05   2.21) =  42.722%  kept
        T QG1   VAL  107 - QG1   VAL   83  14.60 +/- 0.56   0.003% *  1.4039% (0.75   0.02   0.02) =   0.000%
        T HG    LEU   63 - QG1   VAL   83  18.60 +/- 0.84   0.001% *  0.6074% (0.33   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - QG1   VAL   83  22.93 +/- 1.15   0.000% *  0.6654% (0.36   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 1 structures by 0.03 A, kept.
 
    Peak 2327 (10.23, 0.60, 22.78 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2328 (2.36, 4.18, 60.49 ppm):
    6 chemical-shift based assignments, quality = 0.628, support = 0.02, residual support = 0.02:
          HB2   PRO   58 - HA    ILE   19  16.65 +/- 0.38  10.555% * 25.4758% (0.92   0.02   0.02) =  30.422%  kept
          QG    GLU-  79 - HA    ILE   19  12.36 +/- 0.69  62.842% *  4.2582% (0.15   0.02   0.02) =  30.276%  kept
          HB3   PHE   97 - HA    ILE   19  17.19 +/- 0.38   8.825% * 25.4758% (0.92   0.02   0.02) =  25.438%  kept
        T HG3   GLU-  25 - HA    ILE   19  15.88 +/- 0.46  14.345% *  3.7349% (0.14   0.02   0.02) =   6.062%  kept
          HB2   GLU- 100 - HA    ILE   19  21.70 +/- 0.61   2.196% * 18.9570% (0.69   0.02   0.02) =   4.710%  kept
          HB2   GLN  116 - HA    ILE   19  23.80 +/- 0.37   1.237% * 22.0984% (0.80   0.02   0.02) =   3.092%  kept
    Distance limit 3.79 A violated in 20 structures by 7.61 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 = 25.3:
      O   HN    ALA   20 - HA    ILE   19   2.26 +/- 0.06  99.997% * 99.7481% (0.73   5.05  25.30) = 100.000%  kept
          HN    PHE   45 - HA    ILE   19  12.68 +/- 0.19   0.003% *  0.1679% (0.31   0.02   0.02) =   0.000%
          HN    ALA  110 - HA    ILE   19  20.67 +/- 0.55   0.000% *  0.0840% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.64 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 = 6.55, residual support = 164.7:
      O   HN    ILE   19 - HA    ILE   19   2.88 +/- 0.02  99.509% * 99.6237% (0.98   6.55 164.67) =  99.999%  kept
          HN    LEU   73 - HA    ILE   19   7.12 +/- 0.15   0.440% *  0.1881% (0.61   0.02   5.03) =   0.001%
          HN    VAL   42 - HA    ILE   19  10.22 +/- 0.29   0.050% *  0.1881% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 5.03:
          HA    LEU   73 - HB    ILE   19   2.70 +/- 0.22 100.000% *100.0000% (0.95   2.00   5.03) = 100.000%  kept
    Distance limit 3.84 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 = 5.58, residual support = 164.7:
      O   HN    ILE   19 - HB    ILE   19   2.09 +/- 0.04  99.461% * 98.7909% (0.65   5.58 164.67) =  99.997%  kept
          HN    LEU   73 - HB    ILE   19   5.06 +/- 0.14   0.501% *  0.5284% (0.97   0.02   5.03) =   0.003%
          HN    VAL   42 - HB    ILE   19   7.78 +/- 0.28   0.038% *  0.5284% (0.97   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HB    ILE   19  19.18 +/- 0.25   0.000% *  0.1522% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2334 (1.27, 0.69, 16.64 ppm):
    9 chemical-shift based assignments, quality = 0.278, support = 4.89, residual support = 164.6:
      O   HG13  ILE   19 - QG2   ILE   19   3.16 +/- 0.03  95.708% * 93.0198% (0.28   4.89 164.67) =  99.969%  kept
          QB    ALA   34 - QG2   ILE   19   6.54 +/- 0.25   1.258% *  1.3550% (0.99   0.02   0.02) =   0.019%
          HG2   LYS+  74 - QG2   ILE   19   5.84 +/- 0.19   2.456% *  0.1850% (0.14   0.02   8.48) =   0.005%
          QG2   THR   23 - QG2   ILE   19   8.18 +/- 0.16   0.321% *  1.0448% (0.76   0.02   0.02) =   0.004%
          QG2   THR   39 - QG2   ILE   19   9.25 +/- 0.33   0.156% *  0.8292% (0.61   0.02   0.02) =   0.001%
          QG2   ILE   56 - QG2   ILE   19  10.54 +/- 0.26   0.071% *  1.3401% (0.98   0.02   0.02) =   0.001%
          HG3   LYS+  38 - QG2   ILE   19  14.81 +/- 0.26   0.009% *  1.1859% (0.87   0.02   0.02) =   0.000%
          QB    ALA   91 - QG2   ILE   19  14.41 +/- 0.28   0.011% *  0.8292% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+  99 - QG2   ILE   19  14.61 +/- 0.84   0.011% *  0.2109% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2335 (1.43, 0.69, 16.64 ppm):
    12 chemical-shift based assignments, quality = 0.946, support = 5.39, residual support = 164.6:
      O   HG12  ILE   19 - QG2   ILE   19   2.75 +/- 0.07  82.318% * 97.3162% (0.95   5.40 164.67) =  99.961%  kept
          HG    LEU   73 - QG2   ILE   19   4.04 +/- 0.35   9.346% *  0.2006% (0.53   0.02   5.03) =   0.023%
          HB3   LYS+  74 - QG2   ILE   19   4.06 +/- 0.13   8.041% *  0.1431% (0.38   0.02   8.48) =   0.014%
          HG    LEU   80 - QG2   ILE   19   8.29 +/- 0.62   0.128% *  0.3779% (0.99   0.02   0.02) =   0.001%
          QB    ALA   61 - QG2   ILE   19   9.41 +/- 0.26   0.052% *  0.3737% (0.98   0.02   0.02) =   0.000%
          HB2   LEU   80 - QG2   ILE   19   9.74 +/- 0.59   0.046% *  0.2158% (0.57   0.02   0.02) =   0.000%
          HB3   LEU   67 - QG2   ILE   19  10.70 +/- 0.64   0.026% *  0.3419% (0.90   0.02   0.02) =   0.000%
          QB    ALA  110 - QG2   ILE   19  13.71 +/- 0.41   0.005% *  0.3737% (0.98   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   ILE   19  13.14 +/- 0.53   0.007% *  0.2768% (0.73   0.02   0.02) =   0.000%
        T QB    LEU   98 - QG2   ILE   19  10.39 +/- 0.30   0.029% *  0.0668% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   ILE   19  17.93 +/- 0.78   0.001% *  0.1567% (0.41   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   ILE   19  18.58 +/- 0.69   0.001% *  0.1567% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2336 (2.01, 0.69, 16.64 ppm):
    9 chemical-shift based assignments, quality = 0.801, support = 4.76, residual support = 164.6:
      O   HB    ILE   19 - QG2   ILE   19   2.13 +/- 0.00  90.117% * 96.9034% (0.80   4.76 164.67) =  99.987%  kept
          HG3   GLN   30 - QG2   ILE   19   3.43 +/- 0.66   9.776% *  0.1131% (0.22   0.02  13.86) =   0.013%
          HB2   GLN   17 - QG2   ILE   19   7.34 +/- 0.16   0.054% *  0.4691% (0.92   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   ILE   19   7.89 +/- 0.56   0.039% *  0.4691% (0.92   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   ILE   19   9.51 +/- 0.48   0.012% *  0.5070% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   ILE   19  13.53 +/- 1.41   0.002% *  0.2877% (0.57   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG2   ILE   19  14.09 +/- 0.47   0.001% *  0.3690% (0.73   0.02   0.02) =   0.000%
          QB    GLU- 114 - QG2   ILE   19  16.61 +/- 0.55   0.000% *  0.4408% (0.87   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QG2   ILE   19  19.52 +/- 0.51   0.000% *  0.4408% (0.87   0.02   0.02) =   0.000%
    Distance limit 2.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2337 (2.75, 0.69, 16.64 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 2.13, residual support = 13.9:
          HG2   GLN   30 - QG2   ILE   19   3.53 +/- 0.44  99.546% * 96.5713% (0.65   2.13  13.86) =  99.997%  kept
          HB3   ASN   28 - QG2   ILE   19   9.31 +/- 0.31   0.376% *  0.5750% (0.41   0.02   0.02) =   0.002%
          HB3   HIS  122 - QG2   ILE   19  14.96 +/- 0.40   0.022% *  1.2132% (0.87   0.02   0.02) =   0.000%
          HB3   ASP-  78 - QG2   ILE   19  12.95 +/- 0.48   0.048% *  0.2449% (0.18   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%
    Distance limit 3.84 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2338 (4.18, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.75, residual support = 164.7:
      O   HA    ILE   19 - QG2   ILE   19   2.98 +/- 0.04  99.875% * 99.1431% (0.92   5.75 164.67) = 100.000%  kept
          HA    GLU-  25 - QG2   ILE   19   9.34 +/- 0.21   0.106% *  0.3736% (1.00   0.02   0.02) =   0.000%
          HA    CYS   53 - QG2   ILE   19  13.48 +/- 0.37   0.012% *  0.2567% (0.69   0.02   0.02) =   0.000%
          HA    SER   82 - QG2   ILE   19  14.87 +/- 0.35   0.007% *  0.2266% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2339 (8.73, 0.69, 16.64 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 3.67, residual support = 25.3:
          HN    ALA   20 - QG2   ILE   19   2.87 +/- 0.25  99.893% * 97.9024% (0.31   3.67  25.30) =  99.999%  kept
          HN    PHE   45 - QG2   ILE   19   9.23 +/- 0.20   0.105% *  1.2558% (0.73   0.02   0.02) =   0.001%
          HN    ALA  110 - QG2   ILE   19  16.76 +/- 0.50   0.003% *  0.8418% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2340 (8.94, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 5.68, residual support = 164.6:
          HN    ILE   19 - QG2   ILE   19   3.06 +/- 0.08  90.406% * 98.8134% (0.65   5.68 164.67) =  99.944%  kept
          HN    LEU   73 - QG2   ILE   19   4.49 +/- 0.10   9.090% *  0.5186% (0.97   0.02   5.03) =   0.053%
          HN    VAL   42 - QG2   ILE   19   7.30 +/- 0.17   0.500% *  0.5186% (0.97   0.02   0.02) =   0.003%
          HN    LYS+ 106 - QG2   ILE   19  16.30 +/- 0.21   0.004% *  0.1494% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 0.342, support = 0.0194, residual support = 0.0194:
          QD2   LEU   67 - HG13  ILE   19  11.58 +/- 2.22   7.200% * 39.2581% (0.69   0.02   0.02) =  36.804%  kept
          QD2   LEU   67 - HG    LEU   71   8.73 +/- 1.74  37.062% *  5.6275% (0.10   0.02   0.02) =  27.156%  kept
          QD1   LEU   40 - HG    LEU   71   8.28 +/- 0.28  46.823% *  3.3680% (0.06   0.02   0.02) =  20.533%  kept
          QD1   LEU   40 - HG13  ILE   19  12.47 +/- 0.37   4.014% * 23.4959% (0.41   0.02   0.02) =  12.280%  kept
          QG2   ILE  119 - HG13  ILE   19  16.21 +/- 0.37   0.855% * 15.8904% (0.28   0.02   0.02) =   1.770%
          QD1   ILE  103 - HG13  ILE   19  17.07 +/- 0.58   0.597% *  8.8183% (0.15   0.02   0.02) =   0.685%
          QG2   ILE  119 - HG    LEU   71  14.60 +/- 0.51   1.555% *  2.2778% (0.04   0.02   0.02) =   0.461%
          QD1   ILE  103 - HG    LEU   71  14.17 +/- 0.83   1.894% *  1.2641% (0.02   0.02   0.02) =   0.312%
    Distance limit 3.04 A violated in 20 structures by 4.13 A, eliminated.
    Peak unassigned.
 
    Peak 2342 (8.94, 1.25, 27.25 ppm):
    8 chemical-shift based assignments, quality = 0.647, support = 5.77, residual support = 164.6:
          HN    ILE   19 - HG13  ILE   19   3.81 +/- 0.07  87.207% * 98.6160% (0.65   5.77 164.67) =  99.983%  kept
          HN    LEU   73 - HG13  ILE   19   7.70 +/- 0.14   1.296% *  0.5103% (0.97   0.02   5.03) =   0.008%
          HN    VAL   42 - HG    LEU   71   6.45 +/- 0.38   3.890% *  0.0731% (0.14   0.02   2.46) =   0.003%
          HN    LEU   73 - HG    LEU   71   6.92 +/- 0.81   3.037% *  0.0731% (0.14   0.02   0.02) =   0.003%
          HN    ILE   19 - HG    LEU   71   6.69 +/- 0.97   4.333% *  0.0490% (0.09   0.02   0.02) =   0.002%
          HN    VAL   42 - HG13  ILE   19  10.28 +/- 0.31   0.229% *  0.5103% (0.97   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HG13  ILE   19  21.78 +/- 0.27   0.003% *  0.1470% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   71  18.73 +/- 0.42   0.006% *  0.0211% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2343 (6.66, 0.69, 16.64 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 2.13, residual support = 13.9:
          HE22  GLN   30 - QG2   ILE   19   2.74 +/- 0.27  99.834% * 97.3475% (0.41   2.13  13.86) =  99.999%  kept
          QE    PHE   45 - QG2   ILE   19   8.19 +/- 0.20   0.159% *  0.4390% (0.20   0.02   0.02) =   0.001%
          HD22  ASN   69 - QG2   ILE   19  13.86 +/- 0.63   0.007% *  2.2135% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2344 (7.18, 0.69, 16.64 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 1.5, residual support = 13.9:
          HE21  GLN   30 - QG2   ILE   19   2.87 +/- 0.70  99.549% * 96.5700% (1.00   1.50  13.86) =  99.995%  kept
          HD1   TRP   27 - QG2   ILE   19   8.04 +/- 0.19   0.381% *  1.1194% (0.87   0.02   0.02) =   0.004%
          QD    PHE   59 - QG2   ILE   19  10.88 +/- 0.34   0.067% *  1.1194% (0.87   0.02   0.02) =   0.001%
          HH2   TRP   49 - QG2   ILE   19  18.89 +/- 0.34   0.002% *  1.1912% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 2.16, residual support = 13.9:
          HE22  GLN   30 - QD1   ILE   19   4.11 +/- 0.10  99.863% * 93.7677% (0.25   2.16  13.86) =  99.997%  kept
          HN    VAL   83 - QD1   ILE   19  13.54 +/- 0.41   0.081% *  1.1885% (0.34   0.02   0.02) =   0.001%
          HN    CYS   50 - QD1   ILE   19  15.84 +/- 0.62   0.032% *  2.7899% (0.80   0.02   0.02) =   0.001%
          HN    TRP   49 - QD1   ILE   19  16.58 +/- 0.70   0.024% *  2.2539% (0.65   0.02   0.02) =   0.001%
    Distance limit 4.16 A violated in 0 structures by 0.02 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  18.68 +/- 0.21 100.000% *100.0000% (0.80   0.02   0.02) = 100.000%  kept
    Distance limit 3.96 A violated in 20 structures by 14.72 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 = 25.3:
          HA    ILE   19 - QB    ALA   20   3.81 +/- 0.03  99.755% * 98.7250% (0.92   3.85  25.30) =  99.999%  kept
          HA    GLU-  25 - QB    ALA   20  11.73 +/- 0.19   0.118% *  0.5560% (1.00   0.02   0.02) =   0.001%
          HA    CYS   53 - QB    ALA   20  11.97 +/- 0.56   0.109% *  0.3819% (0.69   0.02   0.02) =   0.000%
          HA    SER   82 - QB    ALA   20  16.03 +/- 0.34   0.018% *  0.3372% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 0.875, support = 0.0199, residual support = 7.08:
          QE    LYS+  74 - QB    ALA   20   5.58 +/- 0.72  81.581% * 25.4326% (0.90   0.02   8.28) =  85.413%  kept
          QB    CYS   50 - QB    ALA   20   8.54 +/- 0.61   7.767% * 26.1780% (0.92   0.02   0.02) =   8.370%  kept
          HB2   PHE   72 - QB    ALA   20   8.31 +/- 0.36   8.590% * 16.0552% (0.57   0.02   0.02) =   5.678%  kept
          HB3   ASP-  78 - QB    ALA   20  10.82 +/- 0.64   1.934% *  4.9664% (0.18   0.02   0.02) =   0.395%
          HB3   ASN   69 - QB    ALA   20  16.82 +/- 0.48   0.128% * 27.3678% (0.97   0.02   0.02) =   0.144%
    Distance limit 3.63 A violated in 20 structures by 1.77 A, eliminated.
    Peak unassigned.
 
    Peak 2349 (7.35, 1.14, 19.25 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 2.06, residual support = 5.15:
          HD2   HIS   22 - QB    ALA   20   3.47 +/- 0.35  97.543% * 96.3696% (0.92   2.06   5.15) =  99.986%  kept
          HN    THR   23 - QB    ALA   20   6.65 +/- 0.11   2.195% *  0.5333% (0.53   0.02   0.02) =   0.012%
          QE    PHE   95 - QB    ALA   20  10.42 +/- 0.35   0.156% *  0.4934% (0.49   0.02   0.02) =   0.001%
          HD1   TRP   49 - QB    ALA   20  12.90 +/- 0.70   0.043% *  1.0047% (0.99   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    ALA   20  13.34 +/- 0.52   0.039% *  0.9091% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   20  16.97 +/- 0.56   0.009% *  0.5333% (0.53   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   20  15.46 +/- 0.55   0.014% *  0.1564% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 3.89, residual support = 15.6:
          HN    CYS   21 - QB    ALA   20   3.53 +/- 0.02  99.923% * 99.1286% (0.95   3.89  15.59) = 100.000%  kept
          HN    LYS+  33 - QB    ALA   20  12.76 +/- 0.37   0.045% *  0.3270% (0.61   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    ALA   20  15.26 +/- 0.43   0.016% *  0.1664% (0.31   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    ALA   20  18.13 +/- 0.38   0.005% *  0.2836% (0.53   0.02   0.02) =   0.000%
          HN    SER   37 - QB    ALA   20  16.22 +/- 0.37   0.011% *  0.0944% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.89 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   2.17 +/- 0.09  99.990% * 97.9370% (0.31   3.73  15.22) = 100.000%  kept
          HN    PHE   45 - QB    ALA   20  10.31 +/- 0.33   0.009% *  1.2351% (0.73   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   20  16.31 +/- 0.57   0.001% *  0.8279% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 0.437, support = 0.0176, residual support = 0.0176:
          HB    VAL   41 - HB2   CYS   21  11.74 +/- 0.43  22.060% *  9.0526% (0.65   0.02   0.02) =  36.187%  kept
          QB    LYS+  33 - HB2   CYS   21  11.45 +/- 0.31  25.410% *  4.7734% (0.34   0.02   0.02) =  21.979%  kept
          QB    LYS+  81 - HB2   CYS   21  11.18 +/- 0.33  29.369% *  3.1155% (0.22   0.02   0.02) =  16.580%  kept
          HG12  ILE  103 - HB2   CYS   21  16.44 +/- 0.41   2.907% * 11.2053% (0.80   0.02   0.02) =   5.903%  kept
          HB3   GLN   90 - HB2   CYS   21  15.24 +/- 1.54   5.241% *  3.8908% (0.28   0.02   0.02) =   3.695%  kept
          HB3   PRO   52 - HB2   CYS   21  18.65 +/- 0.45   1.371% * 13.7167% (0.98   0.02   0.02) =   3.408%  kept
          QB    LYS+  66 - HB2   CYS   21  17.96 +/- 0.42   1.710% *  6.2738% (0.45   0.02   0.02) =   1.943%
          HG2   PRO   93 - HB2   CYS   21  16.05 +/- 0.52   3.398% *  3.1155% (0.22   0.02   0.02) =   1.918%
          HG2   ARG+  54 - HB2   CYS   21  18.62 +/- 1.15   1.483% *  6.8115% (0.49   0.02   0.02) =   1.830%
          QB    LYS+ 106 - HB2   CYS   21  15.90 +/- 0.32   3.555% *  2.7693% (0.20   0.02   0.02) =   1.784%
          HB    ILE  103 - HB2   CYS   21  18.87 +/- 0.37   1.264% *  7.3624% (0.53   0.02   0.02) =   1.686%
          HB3   ASP- 105 - HB2   CYS   21  18.68 +/- 0.53   1.357% *  6.2738% (0.45   0.02   0.02) =   1.543%
          HG3   PRO   68 - HB2   CYS   21  21.37 +/- 0.52   0.602% *  7.9226% (0.57   0.02   0.02) =   0.865%
          HG    LEU  123 - HB2   CYS   21  24.39 +/- 0.56   0.272% * 13.7167% (0.98   0.02   0.02) =   0.677%
    Distance limit 3.80 A violated in 20 structures by 5.53 A, eliminated.
    Peak unassigned.
 
    Peak 2353 (0.57, 3.08, 28.30 ppm):
    9 chemical-shift based assignments, quality = 0.379, support = 0.953, residual support = 1.62:
          QD2   LEU   80 - HB2   CYS   21   3.87 +/- 0.45  61.536% * 29.9337% (0.41   0.75   1.69) =  60.555%  kept
          QD1   LEU   80 - HB2   CYS   21   4.69 +/- 1.06  30.897% * 31.5487% (0.22   1.46   1.69) =  32.045%  kept
          QD1   LEU   73 - HB2   CYS   21   5.43 +/- 0.31   6.866% * 32.7067% (0.80   0.42   0.67) =   7.383%  kept
          QG2   VAL   41 - HB2   CYS   21   8.44 +/- 0.39   0.483% *  0.7287% (0.38   0.02   0.02) =   0.012%
          QD2   LEU   98 - HB2   CYS   21  10.31 +/- 0.66   0.148% *  0.4323% (0.22   0.02   0.02) =   0.002%
          QD1   LEU   63 - HB2   CYS   21  12.96 +/- 0.56   0.037% *  1.5547% (0.80   0.02   0.02) =   0.002%
          QD2   LEU   63 - HB2   CYS   21  14.74 +/- 0.63   0.017% *  1.7924% (0.92   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB2   CYS   21  16.95 +/- 0.55   0.007% *  0.8705% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   CYS   21  16.88 +/- 0.64   0.008% *  0.4323% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.73 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2354 (4.60, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 2.68, residual support = 28.2:
      O T HA    CYS   21 - HB2   CYS   21   3.02 +/- 0.02  99.979% * 97.6983% (0.92   2.68  28.20) = 100.000%  kept
          HA    CYS   50 - HB2   CYS   21  13.64 +/- 0.54   0.012% *  0.4467% (0.57   0.02   0.02) =   0.000%
          HA    TRP   49 - HB2   CYS   21  16.09 +/- 0.70   0.005% *  0.6030% (0.76   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB2   CYS   21  17.46 +/- 0.83   0.003% *  0.4786% (0.61   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB2   CYS   21  19.85 +/- 0.39   0.001% *  0.7734% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.705, support = 2.68, residual support = 4.94:
          HN    THR   23 - HB2   CYS   21   4.10 +/- 0.26  76.690% * 26.5290% (0.53   2.15   4.56) =  55.020%  kept
          HD2   HIS   22 - HB2   CYS   21   5.33 +/- 0.77  23.088% * 72.0362% (0.92   3.32   5.41) =  44.978%  kept
          QE    PHE   95 - HB2   CYS   21  11.87 +/- 0.44   0.140% *  0.2286% (0.49   0.02   0.02) =   0.001%
          HD1   TRP   49 - HB2   CYS   21  14.76 +/- 0.56   0.037% *  0.4655% (0.99   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   CYS   21  15.76 +/- 0.61   0.025% *  0.2471% (0.53   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   CYS   21  17.53 +/- 0.38   0.013% *  0.4212% (0.90   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   CYS   21  19.38 +/- 0.44   0.007% *  0.0725% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2356 (7.93, 3.08, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.4, residual support = 28.2:
      O   HN    CYS   21 - HB2   CYS   21   2.59 +/- 0.20  99.981% * 99.0044% (0.95   3.40  28.20) = 100.000%  kept
          HN    LYS+  33 - HB2   CYS   21  12.26 +/- 0.27   0.010% *  0.3736% (0.61   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   CYS   21  12.81 +/- 0.36   0.008% *  0.1901% (0.31   0.02   0.02) =   0.000%
          HN    SER   37 - HB2   CYS   21  16.87 +/- 0.28   0.001% *  0.1079% (0.18   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   CYS   21  21.08 +/- 0.35   0.000% *  0.3240% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 0.287, support = 0.0176, residual support = 0.0176:
          HB    VAL   41 - HB3   CYS   21  11.58 +/- 0.59  22.355% *  9.0526% (0.44   0.02   0.02) =  36.030%  kept
          QB    LYS+  33 - HB3   CYS   21  10.39 +/- 0.42  41.970% *  4.7734% (0.23   0.02   0.02) =  35.668%  kept
          QB    LYS+  81 - HB3   CYS   21  11.77 +/- 0.50  20.594% *  3.1155% (0.15   0.02   0.02) =  11.423%  kept
          HG12  ILE  103 - HB3   CYS   21  16.77 +/- 0.44   2.368% * 11.2053% (0.55   0.02   0.02) =   4.725%  kept
          HB3   GLN   90 - HB3   CYS   21  16.44 +/- 1.55   2.997% *  3.8908% (0.19   0.02   0.02) =   2.076%
          HB3   PRO   52 - HB3   CYS   21  20.34 +/- 0.46   0.754% * 13.7167% (0.67   0.02   0.02) =   1.841%
          QB    LYS+  66 - HB3   CYS   21  18.60 +/- 0.56   1.276% *  6.2738% (0.31   0.02   0.02) =   1.425%
          HB    ILE  103 - HB3   CYS   21  19.28 +/- 0.40   1.025% *  7.3624% (0.36   0.02   0.02) =   1.343%
          QB    LYS+ 106 - HB3   CYS   21  16.76 +/- 0.32   2.395% *  2.7693% (0.14   0.02   0.02) =   1.181%
          HB3   ASP- 105 - HB3   CYS   21  19.48 +/- 0.54   0.971% *  6.2738% (0.31   0.02   0.02) =   1.084%
          HG2   ARG+  54 - HB3   CYS   21  20.24 +/- 1.14   0.828% *  6.8115% (0.33   0.02   0.02) =   1.004%
          HG2   PRO   93 - HB3   CYS   21  17.69 +/- 0.53   1.740% *  3.1155% (0.15   0.02   0.02) =   0.965%
          HG3   PRO   68 - HB3   CYS   21  21.56 +/- 0.63   0.525% *  7.9226% (0.39   0.02   0.02) =   0.740%
          HG    LEU  123 - HB3   CYS   21  25.28 +/- 0.69   0.202% * 13.7167% (0.67   0.02   0.02) =   0.494%
    Distance limit 3.89 A violated in 20 structures by 5.28 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 = 2.74:
          QG2   THR   26 - HB3   CYS   21   2.36 +/- 0.46  99.684% * 95.4718% (0.60   2.00   2.74) =  99.996%  kept
          HB2   LYS+  74 - HB3   CYS   21   7.17 +/- 0.56   0.312% *  1.0982% (0.69   0.02   8.54) =   0.004%
          HG2   LYS+  65 - HB3   CYS   21  17.38 +/- 0.91   0.001% *  0.8813% (0.55   0.02   0.02) =   0.000%
          HB3   LEU   40 - HB3   CYS   21  17.30 +/- 0.81   0.001% *  0.6231% (0.39   0.02   0.02) =   0.000%
          QD    LYS+  66 - HB3   CYS   21  20.52 +/- 0.65   0.000% *  0.3754% (0.23   0.02   0.02) =   0.000%
          HG    LEU  115 - HB3   CYS   21  22.01 +/- 1.06   0.000% *  0.3754% (0.23   0.02   0.02) =   0.000%
          QB    ALA  120 - HB3   CYS   21  22.44 +/- 0.34   0.000% *  0.3754% (0.23   0.02   0.02) =   0.000%
          HD2   LYS+ 121 - HB3   CYS   21  25.00 +/- 1.04   0.000% *  0.7992% (0.50   0.02   0.02) =   0.000%
    Distance limit 4.10 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 = 0.242, support = 0.977, residual support = 1.68:
          QD2   LEU   80 - HB3   CYS   21   3.82 +/- 0.44  60.963% * 42.3859% (0.28   0.75   1.69) =  69.602%  kept
          QD1   LEU   80 - HB3   CYS   21   4.88 +/- 1.01  23.201% * 47.1844% (0.15   1.54   1.69) =  29.487%  kept
          QD1   LEU   73 - HB3   CYS   21   5.02 +/- 0.38  14.939% *  2.2015% (0.55   0.02   0.67) =   0.886%
          QG2   VAL   41 - HB3   CYS   21   8.28 +/- 0.47   0.687% *  1.0319% (0.26   0.02   0.02) =   0.019%
          QD2   LEU   98 - HB3   CYS   21  10.50 +/- 0.62   0.151% *  0.6121% (0.15   0.02   0.02) =   0.002%
          QD1   LEU   63 - HB3   CYS   21  13.81 +/- 0.67   0.031% *  2.2015% (0.55   0.02   0.02) =   0.002%
          QD2   LEU   63 - HB3   CYS   21  15.49 +/- 0.76   0.015% *  2.5380% (0.63   0.02   0.02) =   0.001%
          QD2   LEU  115 - HB3   CYS   21  18.04 +/- 0.57   0.005% *  1.2326% (0.31   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   CYS   21  17.12 +/- 0.66   0.008% *  0.6121% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 2 structures by 0.06 A, kept.
 
    Peak 2361 (7.93, 2.60, 28.30 ppm):
    5 chemical-shift based assignments, quality = 0.65, support = 3.31, residual support = 28.2:
      O   HN    CYS   21 - HB3   CYS   21   3.51 +/- 0.24  99.850% * 98.9774% (0.65   3.31  28.20) = 100.000%  kept
          HN    LYS+  33 - HB3   CYS   21  11.03 +/- 0.33   0.107% *  0.3837% (0.42   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   CYS   21  13.74 +/- 0.36   0.030% *  0.1953% (0.21   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   CYS   21  15.93 +/- 0.36   0.012% *  0.1108% (0.12   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   CYS   21  22.20 +/- 0.41   0.002% *  0.3329% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2362 (7.74, 2.60, 28.30 ppm):
    8 chemical-shift based assignments, quality = 0.525, support = 0.75, residual support = 1.5:
          HN    TRP   27 - HB3   CYS   21   3.54 +/- 0.32  99.665% * 88.5664% (0.52   0.75   1.50) =  99.991%  kept
          HD1   TRP   87 - HB3   CYS   21  10.01 +/- 0.36   0.226% *  2.8541% (0.63   0.02   0.02) =   0.007%
          HN    THR   39 - HB3   CYS   21  16.40 +/- 0.51   0.012% *  2.9247% (0.65   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   CYS   21  15.34 +/- 0.34   0.018% *  1.7504% (0.39   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   CYS   21  13.10 +/- 0.44   0.045% *  0.4184% (0.09   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   CYS   21  15.55 +/- 0.44   0.017% *  1.0546% (0.23   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   CYS   21  16.24 +/- 0.70   0.013% *  1.2711% (0.28   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   CYS   21  19.43 +/- 1.18   0.004% *  1.1604% (0.26   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 0.415, support = 2.4, residual support = 4.73:
          HN    THR   23 - HB3   CYS   21   3.31 +/- 0.50  93.750% * 21.0866% (0.36   1.97   4.56) =  80.464%  kept
          HD2   HIS   22 - HB3   CYS   21   5.53 +/- 0.30   6.179% * 77.6725% (0.63   4.14   5.41) =  19.536%  kept
          QE    PHE   95 - HB3   CYS   21  13.20 +/- 0.50   0.038% *  0.1977% (0.33   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   CYS   21  14.71 +/- 0.57   0.017% *  0.2137% (0.36   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   CYS   21  16.35 +/- 0.61   0.008% *  0.4026% (0.68   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   CYS   21  18.05 +/- 0.53   0.005% *  0.3643% (0.62   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   CYS   21  20.82 +/- 0.46   0.002% *  0.0627% (0.11   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 2.39, residual support = 28.2:
      O T HA    CYS   21 - HB3   CYS   21   2.36 +/- 0.05  99.997% * 97.4227% (0.63   2.39  28.20) = 100.000%  kept
          HA    CYS   50 - HB3   CYS   21  15.33 +/- 0.55   0.001% *  0.5002% (0.39   0.02   0.02) =   0.000%
          HA    TRP   49 - HB3   CYS   21  17.64 +/- 0.75   0.001% *  0.6752% (0.52   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HB3   CYS   21  19.90 +/- 0.43   0.000% *  0.8660% (0.67   0.02   0.02) =   0.000%
          HA1   GLY  109 - HB3   CYS   21  19.03 +/- 0.82   0.000% *  0.5359% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 0.627, support = 3.38, residual support = 29.8:
      O   HD2   HIS   22 - HB2   HIS   22   3.76 +/- 0.11  68.313% * 45.2786% (0.74   2.45  33.00) =  64.619%  kept
          HN    THR   23 - HB2   HIS   22   4.30 +/- 0.29  31.657% * 53.4982% (0.42   5.08  23.89) =  35.381%  kept
          HD1   TRP   49 - HB2   HIS   22  15.49 +/- 1.16   0.016% *  0.3968% (0.79   0.02   0.02) =   0.000%
          QE    PHE   95 - HB2   HIS   22  16.72 +/- 0.45   0.009% *  0.1949% (0.39   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   HIS   22  20.51 +/- 0.76   0.003% *  0.2106% (0.42   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   HIS   22  22.71 +/- 0.52   0.001% *  0.3591% (0.72   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   HIS   22  22.43 +/- 0.79   0.002% *  0.0618% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 0.806, support = 3.54, residual support = 31.3:
      O   HD2   HIS   22 - HB3   HIS   22   3.43 +/- 0.47  60.758% * 73.4714% (0.95   3.06  33.00) =  81.804%  kept
          HN    THR   23 - HB3   HIS   22   3.71 +/- 0.23  39.229% * 25.3114% (0.18   5.70  23.89) =  18.196%  kept
          HD1   TRP   49 - HB3   HIS   22  16.57 +/- 0.85   0.006% *  0.4237% (0.84   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   HIS   22  19.53 +/- 0.78   0.002% *  0.4683% (0.92   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   HIS   22  16.86 +/- 0.36   0.005% *  0.0783% (0.15   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   HIS   22  22.18 +/- 0.51   0.001% *  0.2469% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2367 (1.30, 3.24, 29.58 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 3.34, residual support = 23.9:
          QG2   THR   23 - HB3   HIS   22   3.54 +/- 0.24  99.913% * 96.0051% (0.34   3.34  23.89) =  99.999%  kept
          QG2   THR   77 - HB3   HIS   22  11.72 +/- 0.36   0.079% *  1.6703% (0.99   0.02   0.02) =   0.001%
          QB    ALA   88 - HB3   HIS   22  18.13 +/- 0.26   0.006% *  1.2237% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   HIS   22  24.56 +/- 0.51   0.001% *  0.6325% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   HIS   22  25.17 +/- 0.86   0.001% *  0.4685% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2368 (7.03, 3.44, 70.99 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 3.2, residual support = 12.7:
          HN    ALA   47 - HB    THR   46   3.76 +/- 0.35  97.923% * 98.4505% (0.38   3.20  12.67) =  99.967%  kept
          QD    PHE   95 - HB    THR   46   7.35 +/- 0.40   2.077% *  1.5495% (0.95   0.02   0.02) =   0.033%
    Distance limit 4.19 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   3.00 +/- 0.22  99.604% * 97.9705% (0.87   3.25  34.52) =  99.998%  kept
          HN    LYS+  74 - HB    THR   46   8.21 +/- 0.50   0.243% *  0.6814% (0.98   0.02   0.02) =   0.002%
          HN    MET   92 - HB    THR   46   9.35 +/- 0.53   0.144% *  0.4775% (0.69   0.02   0.02) =   0.001%
          HN    LYS+ 112 - HB    THR   46  14.47 +/- 0.42   0.009% *  0.3657% (0.53   0.02   0.02) =   0.000%
          HN    MET   11 - HB    THR   46  27.48 +/- 2.78   0.000% *  0.5048% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 0.431, support = 0.0198, residual support = 0.0198:
          QG2   THR   77 - HB2   HIS   22  11.18 +/- 0.59  23.299% * 17.3685% (0.64   0.02   0.02) =  47.248%  kept
          HB3   LEU   80 - HB2   HIS   22   9.26 +/- 0.55  70.052% *  5.4086% (0.20   0.02   0.02) =  44.237%  kept
          HB2   LEU   31 - HB2   HIS   22  15.09 +/- 0.69   4.252% *  8.1407% (0.30   0.02   0.02) =   4.042%  kept
          QB    ALA   88 - HB2   HIS   22  17.94 +/- 0.37   1.357% * 21.6906% (0.80   0.02   0.02) =   3.438%  kept
          HG2   LYS+  38 - HB2   HIS   22  25.61 +/- 0.67   0.167% * 18.1176% (0.67   0.02   0.02) =   0.354%
          HG2   LYS+  99 - HB2   HIS   22  25.92 +/- 0.73   0.153% * 15.7506% (0.58   0.02   0.02) =   0.282%
        T HB2   LEU   63 - HB2   HIS   22  20.60 +/- 0.44   0.602% *  3.7987% (0.14   0.02   0.02) =   0.267%
          HG2   LYS+ 111 - HB2   HIS   22  26.95 +/- 0.66   0.117% *  9.7246% (0.36   0.02   0.02) =   0.133%
    Distance limit 3.98 A violated in 20 structures by 4.75 A, eliminated.
    Peak unassigned.
 
    Peak 2372 (7.93, 4.63, 51.23 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 3.08, residual support = 15.6:
      O   HN    CYS   21 - HA    ALA   20   2.21 +/- 0.01  99.997% * 98.9015% (0.95   3.08  15.59) = 100.000%  kept
          HN    LYS+  33 - HA    ALA   20  14.01 +/- 0.35   0.002% *  0.4122% (0.61   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ALA   20  16.15 +/- 0.47   0.001% *  0.2098% (0.31   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ALA   20  20.02 +/- 0.38   0.000% *  0.3576% (0.53   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ALA   20  18.03 +/- 0.36   0.000% *  0.1190% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.03 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   7.86 +/- 0.46 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.23 A violated in 20 structures by 4.63 A, eliminated.
    Peak unassigned.
 
    Peak 2374 (2.40, 4.68, 56.96 ppm):
    5 chemical-shift based assignments, quality = 0.572, support = 0.02, residual support = 0.02:
          QG    GLU-  79 - HA    HIS   22   3.82 +/- 0.61  99.727% * 18.5628% (0.57   0.02   0.02) =  99.764%  kept
          HB3   PHE   45 - HA    HIS   22  11.11 +/- 0.52   0.221% * 13.7211% (0.42   0.02   0.02) =   0.163%
          QG    GLN   32 - HA    HIS   22  15.20 +/- 1.05   0.040% * 27.4474% (0.85   0.02   0.02) =   0.059%
          HB    VAL  107 - HA    HIS   22  20.23 +/- 0.42   0.006% * 26.5475% (0.82   0.02   0.02) =   0.009%
          QE    LYS+ 112 - HA    HIS   22  20.70 +/- 0.65   0.006% * 13.7211% (0.42   0.02   0.02) =   0.004%
    Distance limit 3.34 A violated in 11 structures by 0.54 A, eliminated.
    Peak unassigned.
 
    Peak 2375 (1.67, 4.68, 56.96 ppm):
    12 chemical-shift based assignments, quality = 0.529, support = 0.0189, residual support = 0.0189:
          HB    VAL   83 - HA    HIS   22   9.78 +/- 0.40  31.052% * 10.9951% (0.76   0.02   0.02) =  60.008%  kept
        T HB2   LEU   73 - HA    HIS   22   9.99 +/- 0.38  27.229% *  3.8178% (0.26   0.02   0.02) =  18.271%  kept
          HD2   LYS+  74 - HA    HIS   22   9.51 +/- 0.72  37.977% *  2.4048% (0.17   0.02   0.02) =  16.051%  kept
          HG3   PRO   93 - HA    HIS   22  16.86 +/- 0.68   1.206% * 11.4693% (0.79   0.02   0.02) =   2.432%
          QD    LYS+  65 - HA    HIS   22  18.71 +/- 1.27   0.662% *  9.9709% (0.69   0.02   0.02) =   1.160%
          HB3   MET   92 - HA    HIS   22  17.78 +/- 1.43   1.022% *  5.6451% (0.39   0.02   0.02) =   1.014%
          QD    LYS+  38 - HA    HIS   22  23.72 +/- 0.40   0.150% * 12.6755% (0.87   0.02   0.02) =   0.335%
          QD    LYS+ 102 - HA    HIS   22  24.73 +/- 0.63   0.117% * 13.2516% (0.91   0.02   0.02) =   0.273%
          QD    LYS+ 106 - HA    HIS   22  20.55 +/- 1.41   0.382% *  2.1187% (0.15   0.02   0.02) =   0.142%
          HB2   LYS+ 121 - HA    HIS   22  26.52 +/- 0.46   0.076% *  9.4321% (0.65   0.02   0.02) =   0.126%
          HD2   LYS+ 111 - HA    HIS   22  26.31 +/- 0.99   0.084% *  7.2243% (0.50   0.02   0.02) =   0.106%
          HB2   LEU  123 - HA    HIS   22  29.36 +/- 0.79   0.041% * 10.9951% (0.76   0.02   0.02) =   0.080%
    Distance limit 3.53 A violated in 20 structures by 4.53 A, eliminated.
    Peak unassigned.
 
    Peak 2376 (8.91, 4.68, 56.96 ppm):
    2 chemical-shift based assignments, quality = 0.386, support = 0.0198, residual support = 0.0198:
          HN    ILE   19 - HA    HIS   22  11.11 +/- 0.12  98.348% * 67.5049% (0.39   0.02   0.02) =  99.198%  kept
          HN    LEU   40 - HA    HIS   22  21.99 +/- 0.36   1.652% * 32.4951% (0.19   0.02   0.02) =   0.802%
    Distance limit 3.64 A violated in 20 structures by 7.48 A, eliminated.
    Peak unassigned.
 
    Peak 2377 (0.51, 4.68, 56.96 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2378 (9.20, 4.83, 58.62 ppm):
    1 chemical-shift based assignment, quality = 0.641, support = 4.26, residual support = 23.9:
      O   HN    VAL   24 - HA    THR   23   2.43 +/- 0.09 100.000% *100.0000% (0.64   4.26  23.92) = 100.000%  kept
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2379 (9.23, 4.81, 72.92 ppm):
    1 chemical-shift based assignment, quality = 0.487, support = 5.39, residual support = 23.9:
          HN    VAL   24 - HB    THR   23   2.68 +/- 0.20 100.000% *100.0000% (0.49   5.39  23.92) = 100.000%  kept
    Distance limit 3.49 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 = 19.3:
          HN    THR   23 - QG2   THR   23   3.58 +/- 0.09  93.244% * 96.7839% (0.73   4.80  19.32) =  99.979%  kept
          HD2   HIS   22 - QG2   THR   23   6.08 +/- 0.15   3.883% *  0.4246% (0.76   0.02  23.89) =   0.018%
          HD1   TRP   49 - QB    ALA   91   8.02 +/- 1.32   1.308% *  0.0524% (0.09   0.02   0.02) =   0.001%
          HN    LEU   67 - QG2   THR   39   8.70 +/- 0.36   0.469% *  0.1226% (0.22   0.02   0.02) =   0.001%
          HE3   TRP   27 - QG2   THR   23   8.94 +/- 0.22   0.393% *  0.1237% (0.22   0.02   2.03) =   0.001%
          HD1   TRP   49 - QG2   THR   23  14.43 +/- 0.57   0.022% *  0.4982% (0.90   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    ALA   91  10.04 +/- 0.98   0.258% *  0.0401% (0.07   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   23  15.63 +/- 0.30   0.014% *  0.3816% (0.69   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   39  10.99 +/- 0.27   0.114% *  0.0422% (0.08   0.02   0.02) =   0.000%
          QE    PHE   95 - QG2   THR   39  13.30 +/- 0.29   0.036% *  0.0850% (0.15   0.02   0.02) =   0.000%
          HD21  ASN   35 - QG2   THR   23  15.84 +/- 0.42   0.013% *  0.1895% (0.34   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG2   THR   39  12.03 +/- 0.52   0.066% *  0.0275% (0.05   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    ALA   91  11.78 +/- 1.30   0.107% *  0.0162% (0.03   0.02   0.02) =   0.000%
          HN    LEU   67 - QG2   THR   23  21.11 +/- 0.36   0.002% *  0.5506% (0.99   0.02   0.02) =   0.000%
          HN    THR   23 - QG2   THR   39  16.80 +/- 0.37   0.009% *  0.0898% (0.16   0.02   0.02) =   0.000%
          HD2   HIS   22 - QG2   THR   39  17.16 +/- 0.47   0.008% *  0.0945% (0.17   0.02   0.02) =   0.000%
          HN    THR   23 - QB    ALA   91  16.08 +/- 0.45   0.012% *  0.0424% (0.08   0.02   0.02) =   0.000%
          HD2   HIS   22 - QB    ALA   91  16.62 +/- 1.67   0.011% *  0.0446% (0.08   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   23  20.76 +/- 0.42   0.002% *  0.1545% (0.28   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    ALA   91  14.66 +/- 0.40   0.020% *  0.0130% (0.02   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    ALA   91  20.88 +/- 1.00   0.003% *  0.0579% (0.10   0.02   0.02) =   0.000%
          HD1   TRP   49 - QG2   THR   39  23.85 +/- 0.31   0.001% *  0.1109% (0.20   0.02   0.02) =   0.000%
          QD    PHE   55 - QG2   THR   39  19.83 +/- 0.38   0.003% *  0.0344% (0.06   0.02   0.02) =   0.000%
          HD21  ASN   35 - QB    ALA   91  22.07 +/- 0.81   0.002% *  0.0199% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2381 (2.46, 3.81, 65.84 ppm):
    5 chemical-shift based assignments, quality = 0.341, support = 1.84, residual support = 10.8:
          HB3   ASP-  86 - HA    VAL   83   3.37 +/- 0.43  99.920% * 91.4944% (0.34   1.84  10.83) =  99.998%  kept
          HG3   MET   96 - HA    VAL   83  12.12 +/- 0.34   0.060% *  2.9229% (1.00   0.02   0.02) =   0.002%
          HG2   GLU-  29 - HA    VAL   83  15.10 +/- 0.60   0.017% *  0.6507% (0.22   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    VAL   83  20.43 +/- 0.68   0.003% *  2.6982% (0.92   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HA    VAL   83  25.48 +/- 0.67   0.001% *  2.2338% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.04 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   2.58 +/- 0.30  99.950% * 96.7689% (0.98   2.25  10.83) = 100.000%  kept
          HB2   ASN   28 - HA    VAL   83  10.08 +/- 0.61   0.038% *  0.7870% (0.90   0.02   0.30) =   0.000%
          HB2   ASN   35 - HA    VAL   83  15.13 +/- 0.79   0.003% *  0.6372% (0.73   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    VAL   83  13.19 +/- 0.23   0.007% *  0.2440% (0.28   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    VAL   83  16.73 +/- 1.24   0.002% *  0.7027% (0.80   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    VAL   83  24.21 +/- 0.84   0.000% *  0.8602% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2383 (6.61, 3.81, 65.84 ppm):
    3 chemical-shift based assignments, quality = 0.566, support = 4.74, residual support = 87.8:
      O   HN    VAL   83 - HA    VAL   83   2.84 +/- 0.01  99.997% * 98.9844% (0.57   4.74  87.80) = 100.000%  kept
          HN    CYS   50 - HA    VAL   83  18.13 +/- 0.47   0.002% *  0.7122% (0.97   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   83  18.10 +/- 0.48   0.002% *  0.3034% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.63 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   3.14 +/- 0.09  99.931% * 97.0740% (0.95   2.25  10.83) = 100.000%  kept
          HN    GLN   30 - HA    VAL   83  12.62 +/- 0.53   0.025% *  0.8941% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    VAL   83  11.78 +/- 0.46   0.038% *  0.5164% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    VAL   83  16.89 +/- 0.41   0.004% *  0.4090% (0.45   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    VAL   83  21.41 +/- 2.26   0.001% *  0.4799% (0.53   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    VAL   83  24.85 +/- 2.27   0.000% *  0.6266% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2385 (7.74, 3.81, 65.84 ppm):
    8 chemical-shift based assignments, quality = 0.726, support = 4.31, residual support = 18.9:
          HD1   TRP   87 - HA    VAL   83   3.58 +/- 0.09  99.034% * 97.6674% (0.73   4.31  18.88) =  99.997%  kept
          HN    TRP   27 - HA    VAL   83   9.97 +/- 0.36   0.219% *  0.5899% (0.95   0.02   3.07) =   0.001%
          HE3   TRP   87 - HA    VAL   83   8.26 +/- 0.15   0.657% *  0.1734% (0.28   0.02  18.88) =   0.001%
          HN    ALA   91 - HA    VAL   83  12.05 +/- 0.64   0.070% *  0.4034% (0.65   0.02   0.02) =   0.000%
          HN    THR   39 - HA    VAL   83  19.61 +/- 0.58   0.004% *  0.4766% (0.76   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    VAL   83  18.09 +/- 0.62   0.006% *  0.2127% (0.34   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    VAL   83  17.35 +/- 0.86   0.008% *  0.1234% (0.20   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    VAL   83  21.74 +/- 0.35   0.002% *  0.3531% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2386 (0.57, 3.77, 66.14 ppm):
    9 chemical-shift based assignments, quality = 0.403, support = 2.33, residual support = 10.6:
          QD2   LEU   80 - HA    VAL   24   2.28 +/- 0.33  86.710% * 71.8475% (0.41   2.38  10.62) =  95.455%  kept
          QD1   LEU   80 - HA    VAL   24   3.62 +/- 0.75  13.129% * 22.5802% (0.22   1.38  10.62) =   4.542%  kept
          QD1   LEU   73 - HA    VAL   24   6.97 +/- 0.22   0.131% *  1.1762% (0.80   0.02   0.02) =   0.002%
          QG2   VAL   41 - HA    VAL   24   9.67 +/- 0.34   0.019% *  0.5513% (0.38   0.02   0.02) =   0.000%
          QD2   LEU   98 - HA    VAL   24  10.92 +/- 0.63   0.009% *  0.3270% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   63 - HA    VAL   24  16.51 +/- 0.46   0.001% *  1.1762% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    VAL   24  18.26 +/- 0.56   0.000% *  1.3560% (0.92   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    VAL   24  18.23 +/- 0.69   0.000% *  0.3270% (0.22   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    VAL   24  20.70 +/- 0.50   0.000% *  0.6586% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2387 (2.11, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 3.97, residual support = 65.6:
      O T HB    VAL   24 - HA    VAL   24   2.74 +/- 0.33  99.944% * 98.4936% (1.00   3.97  65.56) = 100.000%  kept
          QB    GLN   32 - HA    VAL   24   9.95 +/- 0.39   0.054% *  0.4920% (0.99   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    VAL   24  20.91 +/- 0.96   0.001% *  0.4306% (0.87   0.02   0.02) =   0.000%
        T HB2   PRO   68 - HA    VAL   24  24.48 +/- 0.93   0.000% *  0.4306% (0.87   0.02   0.02) =   0.000%
          HG3   PRO   52 - HA    VAL   24  20.24 +/- 0.91   0.001% *  0.0766% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   58 - HA    VAL   24  24.88 +/- 0.36   0.000% *  0.0766% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2388 (2.99, 3.77, 66.14 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.0, residual support = 24.6:
        T HB3   TRP   27 - HA    VAL   24   3.29 +/- 0.20  99.983% * 98.1491% (1.00   3.00  24.57) = 100.000%  kept
          HB2   PHE   97 - HA    VAL   24  18.65 +/- 0.41   0.003% *  0.6500% (0.99   0.02   0.02) =   0.000%
          QE    LYS+ 106 - HA    VAL   24  18.57 +/- 1.49   0.004% *  0.4242% (0.65   0.02   0.02) =   0.000%
          HB3   PHE   60 - HA    VAL   24  17.52 +/- 0.45   0.005% *  0.2940% (0.45   0.02   0.02) =   0.000%
          QE    LYS+  99 - HA    VAL   24  18.90 +/- 0.53   0.003% *  0.3192% (0.49   0.02   0.02) =   0.000%
          QE    LYS+  38 - HA    VAL   24  19.33 +/- 0.82   0.003% *  0.1635% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2389 (9.22, 3.77, 66.14 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.35, residual support = 65.6:
      O   HN    VAL   24 - HA    VAL   24   2.80 +/- 0.02 100.000% *100.0000% (0.97   4.35  65.56) = 100.000%  kept
    Distance limit 3.45 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 = 0.791, support = 5.37, residual support = 28.3:
      O   HN    GLU-  25 - HA    VAL   24   3.57 +/- 0.02  51.140% * 65.4482% (0.92   5.52  35.83) =  66.652%  kept
          HN    ASN   28 - HA    VAL   24   3.61 +/- 0.19  48.811% * 34.3087% (0.53   5.08  13.25) =  33.348%  kept
          HN    ASP-  44 - HA    VAL   24  11.42 +/- 0.47   0.049% *  0.2431% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 3.14, residual support = 24.6:
          HN    TRP   27 - HA    VAL   24   3.16 +/- 0.07  99.544% * 94.8249% (0.45   3.14  24.57) =  99.994%  kept
          HD1   TRP   87 - HA    VAL   24   7.87 +/- 0.32   0.435% *  1.3371% (0.99   0.02   0.02) =   0.006%
          HN    GLU-  36 - HA    VAL   24  15.35 +/- 0.22   0.008% *  1.1702% (0.87   0.02   0.02) =   0.000%
          HN    THR   39 - HA    VAL   24  17.62 +/- 0.19   0.003% *  1.3223% (0.98   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    VAL   24  19.19 +/- 1.24   0.002% *  0.9267% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    VAL   24  16.05 +/- 0.82   0.006% *  0.2363% (0.18   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    VAL   24  19.88 +/- 0.36   0.002% *  0.1826% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 65.6:
      O T QG1   VAL   24 - HB    VAL   24   2.12 +/- 0.02  99.987% * 96.8933% (0.98   3.36  65.56) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  10.88 +/- 0.50   0.006% *  0.3331% (0.57   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  11.73 +/- 0.24   0.003% *  0.0796% (0.14   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  13.87 +/- 1.10   0.001% *  0.1831% (0.31   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.10 +/- 0.96   0.001% *  0.2527% (0.43   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  19.87 +/- 0.84   0.000% *  0.4272% (0.73   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  21.16 +/- 1.61   0.000% *  0.3480% (0.59   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  15.72 +/- 1.77   0.001% *  0.0471% (0.08   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  19.73 +/- 0.37   0.000% *  0.1970% (0.33   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  22.77 +/- 0.89   0.000% *  0.3411% (0.58   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  25.44 +/- 0.99   0.000% *  0.3095% (0.53   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  29.51 +/- 1.31   0.000% *  0.5883% (1.00   0.02   0.02) =   0.000%
    Distance limit 2.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2393 (1.07, 2.11, 32.16 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 3.46, residual support = 65.6:
      O   QG2   VAL   24 - HB    VAL   24   2.14 +/- 0.00  99.995% * 97.9930% (1.00   3.46  65.56) = 100.000%  kept
          HG    LEU   63 - HB2   PRO   68  11.88 +/- 1.05   0.004% *  0.3293% (0.58   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.10 +/- 0.96   0.001% *  0.0748% (0.13   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB2   PRO   68  21.90 +/- 0.60   0.000% *  0.3352% (0.59   0.02   0.02) =   0.000%
          HG    LEU   63 - HB    VAL   24  23.98 +/- 1.14   0.000% *  0.5566% (0.98   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  19.87 +/- 0.84   0.000% *  0.1264% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB2   PRO   68  22.96 +/- 0.66   0.000% *  0.2173% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HB    VAL   24  28.99 +/- 1.09   0.000% *  0.3674% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.828, support = 1.99, residual support = 7.15:
          QD2   LEU   80 - HB    VAL   24   3.40 +/- 0.79  48.185% * 58.3166% (0.80   2.38  10.62) =  58.741%  kept
          QG1   VAL   83 - HB    VAL   24   3.35 +/- 0.73  51.463% * 38.3507% (0.87   1.44   2.21) =  41.257%  kept
          QD1   LEU   73 - HB    VAL   24   9.09 +/- 0.48   0.158% *  0.2517% (0.41   0.02   0.02) =   0.001%
          QD1   LEU  104 - HB2   PRO   68  12.21 +/- 1.81   0.051% *  0.3495% (0.57   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   PRO   68  10.91 +/- 0.72   0.069% *  0.1489% (0.24   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB    VAL   24  11.48 +/- 0.98   0.036% *  0.1526% (0.25   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   PRO   68  14.49 +/- 0.63   0.012% *  0.2767% (0.45   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   PRO   68  13.60 +/- 0.62   0.017% *  0.1489% (0.24   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB    VAL   24  19.87 +/- 0.97   0.001% *  0.5908% (0.97   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB    VAL   24  18.43 +/- 0.89   0.002% *  0.2517% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   PRO   68  20.47 +/- 0.97   0.001% *  0.2899% (0.47   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB    VAL   24  22.45 +/- 0.93   0.001% *  0.4678% (0.76   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   PRO   68  22.09 +/- 0.65   0.001% *  0.3141% (0.51   0.02   0.02) =   0.000%
          QG2   ILE   89 - HB2   PRO   68  20.30 +/- 0.45   0.002% *  0.0903% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 0.877, support = 3.88, residual support = 64.1:
      O T HA    VAL   24 - HB    VAL   24   2.74 +/- 0.33  87.589% * 85.3848% (0.90   3.97  65.56) =  97.795%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.90 +/- 0.12  12.407% * 13.5917% (0.10   5.47  35.64) =   2.205%
          HA    LYS+  38 - HB2   PRO   68  15.98 +/- 1.48   0.003% *  0.2546% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  20.08 +/- 0.52   0.001% *  0.4303% (0.90   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  24.48 +/- 0.93   0.000% *  0.2546% (0.53   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  26.26 +/- 1.17   0.000% *  0.0840% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 65.6:
      O T HB    VAL   24 - QG1   VAL   24   2.12 +/- 0.02  99.988% * 97.6749% (0.92   3.36  65.56) = 100.000%  kept
          QB    GLN   32 - QG1   VAL   24   9.74 +/- 0.47   0.011% *  0.6077% (0.97   0.02   0.02) =   0.000%
          HG3   GLU- 100 - QG1   VAL   24  19.12 +/- 1.11   0.000% *  0.4074% (0.65   0.02   0.02) =   0.000%
          HG3   PRO   52 - QG1   VAL   24  17.43 +/- 1.20   0.000% *  0.1944% (0.31   0.02   0.02) =   0.000%
          HB2   GLU-  14 - QG1   VAL   24  17.30 +/- 1.94   0.000% *  0.1570% (0.25   0.02   0.02) =   0.000%
        T HB2   PRO   68 - QG1   VAL   24  22.77 +/- 0.89   0.000% *  0.6241% (0.99   0.02   0.02) =   0.000%
          HG2   MET   11 - QG1   VAL   24  21.57 +/- 3.88   0.000% *  0.1402% (0.22   0.02   0.02) =   0.000%
          HG2   PRO   58 - QG1   VAL   24  22.32 +/- 0.86   0.000% *  0.1944% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.14 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 = 0.45, support = 5.69, residual support = 33.3:
          HN    GLU-  25 - HB    VAL   24   3.39 +/- 0.65  60.000% * 51.4179% (0.53   5.74  35.83) =  78.106%  kept
      O   HN    ASN   69 - HB2   PRO   68   3.85 +/- 0.63  36.503% * 21.1461% (0.20   6.15  27.20) =  19.542%  kept
          HN    ASN   28 - HB    VAL   24   5.36 +/- 0.20   3.475% * 26.7210% (0.92   1.70  13.25) =   2.351%
          HN    ASP-  44 - HB    VAL   24  13.70 +/- 0.96   0.017% *  0.1928% (0.57   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  16.69 +/- 0.62   0.004% *  0.1141% (0.33   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  22.72 +/- 0.87   0.001% *  0.1860% (0.55   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  24.88 +/- 0.59   0.000% *  0.1162% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  26.33 +/- 1.18   0.000% *  0.1060% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2398 (9.23, 2.11, 32.16 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 4.69, residual support = 65.6:
      O   HN    VAL   24 - HB    VAL   24   2.43 +/- 0.22 100.000% * 99.7482% (0.38   4.69  65.56) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  26.63 +/- 1.12   0.000% *  0.2518% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2399 (9.23, 1.10, 23.10 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.09, residual support = 65.6:
          HN    VAL   24 - QG1   VAL   24   2.14 +/- 0.29 100.000% *100.0000% (0.73   4.09  65.56) = 100.000%  kept
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2400 (8.80, 2.20, 28.95 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.1, residual support = 126.9:
      O   HN    GLU-  25 - HB2   GLU-  25   2.55 +/- 0.46  98.846% * 98.5256% (0.41   6.10 126.95) =  99.991%  kept
          HN    ASN   28 - HB2   GLU-  25   5.79 +/- 0.12   1.151% *  0.7700% (0.98   0.02   4.36) =   0.009%
          HN    ASP-  44 - HB2   GLU-  25  15.81 +/- 0.40   0.003% *  0.3522% (0.45   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   GLU-  25  24.57 +/- 0.57   0.000% *  0.3522% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 5.95, residual support = 126.9:
      O   HN    GLU-  25 - HB3   GLU-  25   2.73 +/- 0.66  97.807% * 98.4893% (0.41   5.95 126.95) =  99.982%  kept
          HN    ASN   28 - HB3   GLU-  25   5.84 +/- 0.15   2.188% *  0.7889% (0.98   0.02   4.36) =   0.018%
          HN    ASP-  44 - HB3   GLU-  25  16.17 +/- 0.41   0.004% *  0.3609% (0.45   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   GLU-  25  24.80 +/- 0.76   0.000% *  0.3609% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 27.7:
          HN    THR   26 - HB3   GLU-  25   3.17 +/- 0.23  99.998% * 98.7455% (0.34   5.26  27.70) = 100.000%  kept
          HN    LEU   71 - HB3   GLU-  25  19.25 +/- 0.53   0.002% *  0.8413% (0.76   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   GLU-  25  31.99 +/- 0.37   0.000% *  0.4132% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 1.6, residual support = 1.59:
          HN    SER   85 - HA    SER   82   3.71 +/- 0.05  97.769% * 86.3491% (0.26   1.60   1.60) =  99.950%  kept
          HN    GLN   32 - HA    GLU-  25   8.38 +/- 0.20   0.755% *  4.1595% (1.00   0.02   0.02) =   0.037%
          HN    LEU   80 - HA    SER   82   7.90 +/- 0.27   1.089% *  0.4159% (0.10   0.02   0.02) =   0.005%
          HN    LEU   80 - HA    GLU-  25  10.02 +/- 0.34   0.262% *  1.2838% (0.31   0.02   0.02) =   0.004%
          HN    ALA   34 - HA    GLU-  25  12.31 +/- 0.18   0.075% *  1.7100% (0.41   0.02   0.02) =   0.002%
          HN    SER   85 - HA    GLU-  25  14.19 +/- 0.44   0.032% *  3.3307% (0.80   0.02   0.02) =   0.001%
          HN    GLN   32 - HA    SER   82  17.55 +/- 0.75   0.009% *  1.3474% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   82  20.36 +/- 0.65   0.004% *  0.5539% (0.13   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    SER   82  20.27 +/- 0.53   0.004% *  0.2079% (0.05   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    GLU-  25  24.46 +/- 0.43   0.001% *  0.6418% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2404 (8.80, 4.18, 61.45 ppm):
    8 chemical-shift based assignments, quality = 0.483, support = 5.57, residual support = 111.4:
      O   HN    GLU-  25 - HA    GLU-  25   2.71 +/- 0.01  88.945% * 45.7638% (0.41   5.95 126.95) =  87.316%  kept
          HN    ASN   28 - HA    GLU-  25   3.84 +/- 0.09  11.027% * 53.6236% (0.98   2.93   4.36) =  12.684%  kept
          HN    ASN   28 - HA    SER   82  12.69 +/- 0.61   0.009% *  0.1188% (0.32   0.02   0.02) =   0.000%
          HN    GLU-  25 - HA    SER   82  11.76 +/- 0.48   0.014% *  0.0498% (0.13   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    GLU-  25  15.28 +/- 0.38   0.003% *  0.1677% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  44 - HA    SER   82  15.72 +/- 0.31   0.002% *  0.0543% (0.15   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    GLU-  25  23.84 +/- 0.35   0.000% *  0.1677% (0.45   0.02   0.02) =   0.000%
          HN    ASN   69 - HA    SER   82  29.02 +/- 0.43   0.000% *  0.0543% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.12 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 = 0.528, support = 1.92, residual support = 4.45:
          HD21  ASN   28 - HA    GLU-  25   3.75 +/- 0.27  80.083% * 47.3048% (0.61   1.37   4.36) =  80.747%  kept
          HN    ALA   84 - HA    SER   82   4.79 +/- 0.10  19.210% * 47.0095% (0.20   4.22   4.80) =  19.248%  kept
          HE21  GLN   32 - HA    GLU-  25  10.18 +/- 1.63   0.361% *  0.2527% (0.22   0.02   0.02) =   0.002%
          HN    ALA   84 - HA    GLU-  25  11.90 +/- 0.38   0.084% *  0.6884% (0.61   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HA    GLU-  25  11.75 +/- 0.48   0.092% *  0.4666% (0.41   0.02   0.02) =   0.001%
          HD21  ASN   28 - HA    SER   82  12.26 +/- 0.83   0.078% *  0.2230% (0.20   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    SER   82  11.94 +/- 0.21   0.081% *  0.1511% (0.13   0.02   0.02) =   0.000%
          HN    LEU   63 - HA    GLU-  25  24.63 +/- 0.26   0.001% *  1.1249% (0.99   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    GLU-  25  26.39 +/- 0.37   0.001% *  1.0736% (0.95   0.02   0.02) =   0.000%
          HN    ILE   56 - HA    SER   82  23.16 +/- 0.48   0.002% *  0.3478% (0.31   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    SER   82  21.98 +/- 0.63   0.002% *  0.2230% (0.20   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    SER   82  20.20 +/- 2.42   0.005% *  0.0819% (0.07   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    GLU-  25  27.52 +/- 0.40   0.001% *  0.6884% (0.61   0.02   0.02) =   0.000%
          HN    LEU   63 - HA    SER   82  25.81 +/- 0.33   0.001% *  0.3644% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2406 (2.92, 4.18, 61.45 ppm):
    16 chemical-shift based assignments, quality = 0.991, support = 1.15, residual support = 4.36:
          HB2   ASN   28 - HA    GLU-  25   3.17 +/- 0.19  97.681% * 91.1093% (0.99   1.15   4.36) =  99.989%  kept
          HB2   ASP-  86 - HA    SER   82   6.10 +/- 0.32   2.086% *  0.3757% (0.24   0.02   0.02) =   0.009%
          QE    LYS+  33 - HA    GLU-  25  11.36 +/- 1.74   0.061% *  1.5936% (1.00   0.02   0.02) =   0.001%
          HB2   ASP-  86 - HA    GLU-  25  12.70 +/- 0.44   0.026% *  1.1598% (0.73   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    GLU-  25  12.49 +/- 0.46   0.028% *  0.5994% (0.38   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    SER   82  11.86 +/- 0.29   0.038% *  0.3138% (0.20   0.02   0.02) =   0.000%
          HB2   ASN   28 - HA    SER   82  13.50 +/- 0.77   0.017% *  0.5128% (0.32   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    GLU-  25  13.42 +/- 0.47   0.018% *  0.3161% (0.20   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HA    GLU-  25  16.20 +/- 0.64   0.006% *  0.9687% (0.61   0.02   0.02) =   0.000%
          HB2   ASP-  76 - HA    SER   82  12.14 +/- 0.43   0.034% *  0.1024% (0.06   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    GLU-  25  23.14 +/- 1.05   0.001% *  1.4743% (0.92   0.02   0.02) =   0.000%
          QE    LYS+  33 - HA    SER   82  20.41 +/- 1.36   0.001% *  0.5162% (0.32   0.02   0.02) =   0.000%
          HB2   ASN   35 - HA    SER   82  19.72 +/- 0.84   0.002% *  0.1942% (0.12   0.02   0.02) =   0.000%
          QE    LYS+  65 - HA    SER   82  26.76 +/- 0.82   0.000% *  0.4776% (0.30   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    GLU-  25  24.14 +/- 0.66   0.001% *  0.2161% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   69 - HA    SER   82  30.10 +/- 0.84   0.000% *  0.0700% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 3.88:
          QB    ALA   84 - HA    SER   82   5.14 +/- 0.09  78.785% *  2.6264% (0.32   0.02   4.80) =  80.882%  kept
          HB2   LEU   31 - HA    GLU-  25   8.09 +/- 0.29   5.295% *  2.7903% (0.34   0.02   0.02) =   5.775%  kept
          HB3   LEU   80 - HA    SER   82   7.17 +/- 0.29  10.975% *  1.2898% (0.16   0.02   0.02) =   5.533%  kept
          HB3   LEU   80 - HA    GLU-  25   9.55 +/- 0.91   2.413% *  3.9817% (0.49   0.02   0.02) =   3.755%  kept
          QB    ALA   84 - HA    GLU-  25  11.70 +/- 0.30   0.581% *  8.1077% (0.99   0.02   0.02) =   1.841%
          HB3   LEU   73 - HA    GLU-  25  11.10 +/- 0.29   0.794% *  3.3630% (0.41   0.02   0.02) =   1.043%
          HG3   LYS+  33 - HA    GLU-  25  13.02 +/- 1.78   0.489% *  2.2744% (0.28   0.02   0.02) =   0.435%
          HG    LEU   98 - HA    GLU-  25  16.73 +/- 1.14   0.072% *  7.7381% (0.95   0.02   0.02) =   0.218%
          HB3   ASP-  44 - HA    GLU-  25  18.31 +/- 0.53   0.040% *  5.9400% (0.73   0.02   0.02) =   0.092%
          HG    LEU   98 - HA    SER   82  16.51 +/- 1.03   0.077% *  2.5067% (0.31   0.02   0.02) =   0.076%
          HB2   LEU   31 - HA    SER   82  15.27 +/- 0.70   0.123% *  0.9039% (0.11   0.02   0.02) =   0.043%
          HB3   PRO   93 - HA    SER   82  18.25 +/- 0.48   0.040% *  2.6440% (0.32   0.02   0.02) =   0.041%
          HB    VAL   42 - HA    GLU-  25  18.48 +/- 0.58   0.037% *  2.7903% (0.34   0.02   0.02) =   0.041%
          HB3   LEU   73 - HA    SER   82  16.18 +/- 0.68   0.085% *  1.0894% (0.13   0.02   0.02) =   0.036%
          HB3   PRO   93 - HA    GLU-  25  22.72 +/- 0.60   0.011% *  8.1620% (1.00   0.02   0.02) =   0.034%
          HB3   ASP-  44 - HA    SER   82  17.93 +/- 0.37   0.044% *  1.9242% (0.24   0.02   0.02) =   0.033%
          HG3   LYS+ 106 - HA    GLU-  25  23.07 +/- 1.04   0.010% *  5.2918% (0.65   0.02   0.02) =   0.021%
          HG3   LYS+ 106 - HA    SER   82  19.29 +/- 0.91   0.029% *  1.7142% (0.21   0.02   0.02) =   0.020%
          HB2   LEU   63 - HA    GLU-  25  23.06 +/- 0.38   0.010% *  4.9615% (0.61   0.02   0.02) =   0.019%
          HG3   LYS+ 102 - HA    GLU-  25  22.73 +/- 1.11   0.011% *  3.6674% (0.45   0.02   0.02) =   0.016%
          QB    ALA  124 - HA    GLU-  25  29.05 +/- 0.89   0.002% *  7.0957% (0.87   0.02   0.02) =   0.007%
          HB    VAL   42 - HA    SER   82  20.73 +/- 0.34   0.019% *  0.9039% (0.11   0.02   0.02) =   0.007%
          HG3   LYS+  65 - HA    GLU-  25  25.21 +/- 0.63   0.006% *  2.7903% (0.34   0.02   0.02) =   0.006%
          HG3   LYS+ 102 - HA    SER   82  22.29 +/- 0.78   0.012% *  1.1880% (0.15   0.02   0.02) =   0.006%
          HB2   LEU   63 - HA    SER   82  24.13 +/- 0.37   0.007% *  1.6072% (0.20   0.02   0.02) =   0.005%
          HG3   LYS+  33 - HA    SER   82  22.41 +/- 1.39   0.013% *  0.7368% (0.09   0.02   0.02) =   0.004%
          HG2   LYS+ 111 - HA    SER   82  23.03 +/- 0.77   0.010% *  0.7368% (0.09   0.02   0.02) =   0.003%
          HB2   LYS+ 112 - HA    GLU-  25  32.45 +/- 0.43   0.001% *  4.3037% (0.53   0.02   0.02) =   0.002%
          HG2   LYS+ 111 - HA    GLU-  25  29.92 +/- 0.41   0.002% *  2.2744% (0.28   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HA    SER   82  28.00 +/- 0.68   0.003% *  1.3942% (0.17   0.02   0.02) =   0.002%
          QB    ALA  124 - HA    SER   82  30.51 +/- 0.63   0.002% *  2.2986% (0.28   0.02   0.02) =   0.002%
          HG3   LYS+  65 - HA    SER   82  28.87 +/- 0.43   0.003% *  0.9039% (0.11   0.02   0.02) =   0.001%
    Distance limit 3.60 A violated in 20 structures by 1.36 A, eliminated.
    Peak unassigned.
 
    Peak 2408 (1.04, 4.18, 61.45 ppm):
    10 chemical-shift based assignments, quality = 0.465, support = 0.0188, residual support = 0.0188:
          QG2   VAL  108 - HA    SER   82  14.35 +/- 0.99  67.760% *  7.4304% (0.30   0.02   0.02) =  55.850%  kept
          QG2   VAL  108 - HA    GLU-  25  20.32 +/- 1.10   8.405% * 22.9376% (0.92   0.02   0.02) =  21.386%  kept
          HB2   LEU  104 - HA    GLU-  25  23.32 +/- 0.53   3.781% * 19.8967% (0.80   0.02   0.02) =   8.344%  kept
          QD1   ILE  119 - HA    GLU-  25  23.03 +/- 0.46   4.032% * 12.0948% (0.49   0.02   0.02) =   5.409%  kept
          HB2   LEU  104 - HA    SER   82  22.91 +/- 0.31   4.203% *  6.4453% (0.26   0.02   0.02) =   3.005%  kept
          QD1   ILE  119 - HA    SER   82  22.30 +/- 0.58   4.889% *  3.9180% (0.16   0.02   0.02) =   2.125%
          HG    LEU   63 - HA    GLU-  25  24.92 +/- 0.77   2.650% *  5.5320% (0.22   0.02   0.02) =   1.626%
          HG3   LYS+ 112 - HA    GLU-  25  31.50 +/- 0.73   0.628% * 15.0711% (0.61   0.02   0.02) =   1.050%
          HG3   LYS+ 112 - HA    SER   82  27.62 +/- 0.82   1.392% *  4.8821% (0.20   0.02   0.02) =   0.754%
          HG    LEU   63 - HA    SER   82  25.47 +/- 0.56   2.259% *  1.7920% (0.07   0.02   0.02) =   0.449%
    Distance limit 3.99 A violated in 20 structures by 9.72 A, eliminated.
    Peak unassigned.
 
    Peak 2409 (2.22, 4.15, 66.74 ppm):
    9 chemical-shift based assignments, quality = 0.24, support = 1.72, residual support = 7.23:
          HB2   GLU-  29 - HA    THR   26   2.35 +/- 0.64  93.979% * 18.9462% (0.22   1.25   2.07) =  79.863%  kept
          HB2   GLU-  25 - HA    THR   26   4.45 +/- 0.51   6.005% * 74.7611% (0.31   3.57  27.70) =  20.136%  kept
          HB3   ASP-  76 - HA    THR   26  13.85 +/- 0.50   0.005% *  1.2181% (0.90   0.02   0.02) =   0.000%
          QG    GLN   17 - HA    THR   26  13.25 +/- 1.69   0.006% *  0.5584% (0.41   0.02   0.02) =   0.000%
          HB2   MET   96 - HA    THR   26  15.88 +/- 0.28   0.002% *  1.2181% (0.90   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HA    THR   26  20.49 +/- 1.51   0.001% *  1.2848% (0.95   0.02   0.02) =   0.000%
          HB    VAL   70 - HA    THR   26  18.27 +/- 0.56   0.001% *  0.6611% (0.49   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HA    THR   26  24.34 +/- 0.34   0.000% *  0.9330% (0.69   0.02   0.02) =   0.000%
          HG3   MET   92 - HA    THR   26  24.84 +/- 1.38   0.000% *  0.4192% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.21 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2410 (8.14, 4.15, 66.74 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 4.34, residual support = 28.3:
      O   HN    THR   26 - HA    THR   26   2.84 +/- 0.01  99.995% * 98.4829% (0.34   4.34  28.35) = 100.000%  kept
          HN    LEU   71 - HA    THR   26  15.05 +/- 0.44   0.005% *  1.0174% (0.76   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    THR   26  29.63 +/- 0.32   0.000% *  0.4997% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.481, support = 1.51, residual support = 3.99:
          HN    GLN   30 - HA    THR   26   4.13 +/- 0.18  17.463% * 82.0543% (0.69   1.91   5.51) =  55.719%  kept
          HN    GLU-  29 - HA    THR   26   3.15 +/- 0.13  82.509% * 13.8016% (0.22   0.99   2.07) =  44.280%  kept
          HN    GLU-  14 - HA    THR   26  13.95 +/- 2.65   0.021% *  1.2239% (0.98   0.02   0.02) =   0.001%
          HN    ASP-  86 - HA    THR   26  16.12 +/- 0.30   0.005% *  0.7573% (0.61   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    THR   26  19.65 +/- 0.52   0.001% *  1.0430% (0.84   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    THR   26  22.36 +/- 1.30   0.001% *  1.1198% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 14.1:
          HN    THR   23 - HB    THR   26   3.16 +/- 0.19  97.503% * 91.7939% (0.38   2.25  14.08) =  99.940%  kept
          HD2   HIS   22 - HB    THR   26   6.17 +/- 0.80   2.480% *  2.1548% (0.99   0.02   0.02) =   0.060%
          HD21  ASN   35 - HB    THR   26  14.94 +/- 0.46   0.009% *  1.4934% (0.69   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB    THR   26  19.43 +/- 0.59   0.002% *  2.1548% (0.99   0.02   0.02) =   0.000%
          QE    PHE   95 - HB    THR   26  17.08 +/- 0.37   0.004% *  0.7416% (0.34   0.02   0.02) =   0.000%
          HN    LEU   67 - HB    THR   26  21.03 +/- 0.45   0.001% *  1.6615% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 3.35, residual support = 20.0:
          HN    TRP   27 - HB    THR   26   3.17 +/- 0.10  99.956% * 97.4708% (0.84   3.35  19.98) = 100.000%  kept
          HD1   TRP   87 - HB    THR   26  12.83 +/- 0.25   0.023% *  0.6039% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB    THR   26  15.48 +/- 0.16   0.008% *  0.3389% (0.49   0.02   0.02) =   0.000%
          HN    THR   39 - HB    THR   26  17.82 +/- 0.38   0.003% *  0.6244% (0.90   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB    THR   26  16.42 +/- 0.32   0.005% *  0.1219% (0.18   0.02   0.02) =   0.000%
          HN    ALA   61 - HB    THR   26  19.19 +/- 0.40   0.002% *  0.2862% (0.41   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   26  19.83 +/- 0.78   0.002% *  0.3389% (0.49   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB    THR   26  21.99 +/- 1.26   0.001% *  0.2149% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2414 (8.13, 4.23, 69.37 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.05, residual support = 28.3:
      O   HN    THR   26 - HB    THR   26   1.97 +/- 0.02 100.000% * 99.8101% (0.80   4.05  28.35) = 100.000%  kept
          HN    LEU   71 - HB    THR   26  16.20 +/- 0.47   0.000% *  0.1899% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2415 (4.62, 1.50, 23.02 ppm):
    4 chemical-shift based assignments, quality = 0.175, support = 0.75, residual support = 2.74:
          HA    CYS   21 - QG2   THR   26   2.07 +/- 0.20  99.681% * 81.7100% (0.18   0.75   2.74) =  99.959%  kept
          HA    ALA   20 - QG2   THR   26   5.46 +/- 0.26   0.311% * 10.7923% (0.87   0.02   0.02) =   0.041%
          HA    LEU   71 - QG2   THR   26  10.17 +/- 0.48   0.008% *  1.9197% (0.15   0.02   0.02) =   0.000%
          HA    LYS+ 102 - QG2   THR   26  17.68 +/- 0.56   0.000% *  5.5780% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.877, support = 0.0193, residual support = 0.0193:
          HB2   GLU-  14 - QG2   THR   26   9.99 +/- 1.90  66.197% * 18.7520% (0.92   0.02   0.02) =  71.696%  kept
          HG2   MET   11 - QG2   THR   26  14.87 +/- 3.49  14.757% * 19.2160% (0.95   0.02   0.02) =  16.378%  kept
          HB2   PRO   93 - QG2   THR   26  14.75 +/- 0.55   7.952% * 12.3210% (0.61   0.02   0.02) =   5.659%  kept
          HG3   PRO   52 - QG2   THR   26  17.43 +/- 0.94   2.893% * 17.6208% (0.87   0.02   0.02) =   2.944%  kept
          HG2   PRO   58 - QG2   THR   26  19.10 +/- 0.36   1.668% * 17.6208% (0.87   0.02   0.02) =   1.697%
          HB2   PRO   68 - QG2   THR   26  17.01 +/- 1.34   3.458% *  3.1343% (0.15   0.02   0.02) =   0.626%
          HB2   ARG+  54 - QG2   THR   26  19.55 +/- 0.86   1.428% *  6.2698% (0.31   0.02   0.02) =   0.517%
          HB    VAL  108 - QG2   THR   26  19.53 +/- 0.78   1.648% *  5.0653% (0.25   0.02   0.02) =   0.482%
    Distance limit 3.47 A violated in 20 structures by 5.84 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 = 5.51:
        T HG2   GLN   30 - QG2   THR   26   2.88 +/- 0.38  99.462% * 95.2595% (0.99   0.75   5.51) =  99.986%  kept
          HB3   ASN   28 - QG2   THR   26   7.19 +/- 0.26   0.535% *  2.4734% (0.97   0.02   0.11) =   0.014%
          QE    LYS+ 121 - QG2   THR   26  20.34 +/- 0.79   0.001% *  1.5545% (0.61   0.02   0.02) =   0.000%
          HB3   HIS  122 - QG2   THR   26  18.66 +/- 0.57   0.002% *  0.7126% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.816, support = 3.14, residual support = 10.4:
          QD2   LEU   80 - HB3   TRP   27   3.15 +/- 0.43  80.488% * 64.0427% (0.80   3.28  10.41) =  92.350%  kept
          QD1   LEU   73 - HB3   TRP   27   4.42 +/- 0.22  12.385% * 34.4261% (1.00   1.41  10.76) =   7.639%  kept
          QG1   VAL   83 - HB3   TRP   27   5.08 +/- 0.47   7.101% *  0.0853% (0.18   0.02   3.07) =   0.011%
          QD1   LEU   63 - HB3   TRP   27  13.99 +/- 0.49   0.013% *  0.4872% (1.00   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   TRP   27  15.68 +/- 0.56   0.006% *  0.2758% (0.57   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   TRP   27  16.15 +/- 0.66   0.005% *  0.2758% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   TRP   27  18.36 +/- 0.55   0.002% *  0.4070% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2420 (3.78, 2.99, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.0, residual support = 24.6:
        T HA    VAL   24 - HB3   TRP   27   3.29 +/- 0.20  99.613% * 98.9044% (0.76   3.00  24.57) =  99.999%  kept
          HA    VAL   83 - HB3   TRP   27   8.47 +/- 0.44   0.375% *  0.1168% (0.14   0.02   3.07) =   0.000%
        T HA    LYS+  38 - HB3   TRP   27  16.43 +/- 0.29   0.007% *  0.8457% (0.98   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HB3   TRP   27  17.22 +/- 0.95   0.005% *  0.1331% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2421 (3.77, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 3.0, residual support = 24.6:
          HA    VAL   24 - HB2   TRP   27   2.00 +/- 0.07  99.999% * 99.1878% (0.97   3.00  24.57) = 100.000%  kept
          HA    LYS+  38 - HB2   TRP   27  16.62 +/- 0.38   0.000% *  0.5487% (0.80   0.02   0.02) =   0.000%
          HA    ALA   61 - HB2   TRP   27  18.32 +/- 0.41   0.000% *  0.0927% (0.14   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB2   TRP   27  21.86 +/- 0.84   0.000% *  0.1709% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 0.959, support = 3.23, residual support = 10.2:
          QD2   LEU   80 - HB2   TRP   27   3.09 +/- 0.32  80.673% * 83.1913% (0.98   3.29  10.41) =  96.522%  kept
          QG1   VAL   83 - HB2   TRP   27   4.30 +/- 0.45  16.262% * 14.7841% (0.38   1.53   3.07) =   3.458%  kept
          QD1   LEU   73 - HB2   TRP   27   5.36 +/- 0.19   3.051% *  0.4622% (0.90   0.02  10.76) =   0.020%
          QD1   LEU   63 - HB2   TRP   27  15.30 +/- 0.49   0.006% *  0.4622% (0.90   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   TRP   27  16.89 +/- 0.63   0.003% *  0.4304% (0.84   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   TRP   27  19.70 +/- 0.55   0.001% *  0.5108% (0.99   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   TRP   27  16.96 +/- 0.55   0.003% *  0.1591% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2423 (0.01, 4.13, 56.27 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 2.82, residual support = 17.4:
          QD1   LEU   31 - HA    ASN   28   3.34 +/- 0.21 100.000% *100.0000% (0.76   2.82  17.39) = 100.000%  kept
    Distance limit 3.70 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 = 4.92, residual support = 88.1:
      O T HA    GLU-  29 - HG3   GLU-  29   2.81 +/- 0.35  99.867% * 93.7691% (0.22   4.92  88.05) =  99.999%  kept
        T HA    LYS+  33 - HG3   GLU-  29   9.69 +/- 0.47   0.101% *  0.5840% (0.34   0.02   0.02) =   0.001%
          HB2   SER   37 - HG3   GLU-  29  14.43 +/- 1.21   0.013% *  1.6524% (0.97   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLU-  29  18.95 +/- 1.35   0.003% *  1.1761% (0.69   0.02   0.02) =   0.000%
          HA    VAL   70 - HG3   GLU-  29  18.08 +/- 0.75   0.003% *  1.1076% (0.65   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLU-  29  15.68 +/- 0.86   0.008% *  0.3388% (0.20   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLU-  29  14.95 +/- 0.79   0.006% *  0.2642% (0.15   0.02   0.02) =   0.000%
          HA    GLN  116 - HG3   GLU-  29  30.73 +/- 0.81   0.000% *  1.1076% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 96.2:
      O   HD1   TRP   27 - HB2   TRP   27   2.66 +/- 0.05  98.785% * 98.5334% (0.98   3.66  96.23) =  99.994%  kept
          HE21  GLN   30 - HB2   TRP   27   6.67 +/- 1.80   1.214% *  0.5075% (0.92   0.02   0.02) =   0.006%
          QD    PHE   59 - HB2   TRP   27  16.96 +/- 0.41   0.001% *  0.5389% (0.98   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   TRP   27  23.36 +/- 0.38   0.000% *  0.4202% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 5.21, residual support = 96.2:
      O   HN    TRP   27 - HB2   TRP   27   2.21 +/- 0.10  99.938% * 98.1765% (0.76   5.21  96.23) = 100.000%  kept
          HD1   TRP   87 - HB2   TRP   27   7.82 +/- 0.22   0.053% *  0.4552% (0.92   0.02   6.25) =   0.000%
          HN    GLU-  36 - HB2   TRP   27  13.79 +/- 0.27   0.002% *  0.2792% (0.57   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   TRP   27  15.80 +/- 0.28   0.001% *  0.4664% (0.95   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   TRP   27  11.50 +/- 0.29   0.005% *  0.0667% (0.14   0.02   6.25) =   0.000%
          HN    ALA   91 - HB2   TRP   27  16.27 +/- 0.75   0.001% *  0.2027% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   TRP   27  17.84 +/- 1.24   0.000% *  0.1851% (0.38   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   TRP   27  18.61 +/- 0.40   0.000% *  0.1682% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2427 (8.81, 3.56, 30.32 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 5.3, residual support = 44.3:
          HN    ASN   28 - HB2   TRP   27   2.64 +/- 0.13  96.893% * 99.5397% (0.92   5.30  44.25) =  99.998%  kept
          HN    GLU-  25 - HB2   TRP   27   4.76 +/- 0.13   3.074% *  0.0628% (0.15   0.02   0.02) =   0.002%
          HN    ASP-  44 - HB2   TRP   27  10.14 +/- 0.49   0.033% *  0.0713% (0.18   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   TRP   27  20.46 +/- 0.30   0.000% *  0.3261% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2428 (7.33, 2.99, 30.32 ppm):
    7 chemical-shift based assignments, quality = 0.77, support = 3.96, residual support = 93.7:
      O   HE3   TRP   27 - HB3   TRP   27   2.67 +/- 0.11  96.511% * 55.0320% (0.76   4.00  96.23) =  97.313%  kept
          HN    THR   23 - HB3   TRP   27   4.70 +/- 0.21   3.344% * 43.8604% (0.98   2.49   2.03) =   2.687%  kept
          HD2   HIS   22 - HB3   TRP   27   8.10 +/- 0.53   0.137% *  0.0801% (0.22   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   TRP   27  13.66 +/- 0.40   0.006% *  0.3568% (0.99   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   27  18.84 +/- 0.41   0.001% *  0.2473% (0.69   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   TRP   27  17.27 +/- 0.37   0.001% *  0.1228% (0.34   0.02   0.02) =   0.000%
          QD    PHE   55 - HB3   TRP   27  21.60 +/- 0.48   0.000% *  0.3007% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 4.09, residual support = 96.1:
      O   HD1   TRP   27 - HB3   TRP   27   3.76 +/- 0.06  81.395% * 98.6871% (0.98   4.09  96.23) =  99.895%  kept
          HE21  GLN   30 - HB3   TRP   27   5.72 +/- 1.69  18.586% *  0.4543% (0.92   0.02   0.02) =   0.105%
          QD    PHE   59 - HB3   TRP   27  15.45 +/- 0.42   0.017% *  0.4824% (0.98   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB3   TRP   27  22.12 +/- 0.33   0.002% *  0.3761% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 5.48, residual support = 96.2:
      O   HN    TRP   27 - HB3   TRP   27   2.77 +/- 0.16  99.728% * 98.2658% (0.76   5.48  96.23) =  99.999%  kept
          HD1   TRP   87 - HB3   TRP   27   7.72 +/- 0.26   0.228% *  0.4329% (0.92   0.02   6.25) =   0.001%
          HE3   TRP   87 - HB3   TRP   27  11.02 +/- 0.29   0.027% *  0.0635% (0.14   0.02   6.25) =   0.000%
          HN    GLU-  36 - HB3   TRP   27  13.98 +/- 0.15   0.006% *  0.2655% (0.57   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   TRP   27  15.38 +/- 0.24   0.004% *  0.4436% (0.95   0.02   0.02) =   0.000%
          HN    ALA   91 - HB3   TRP   27  15.49 +/- 0.73   0.004% *  0.1928% (0.41   0.02   0.02) =   0.000%
          HN    ALA   61 - HB3   TRP   27  16.87 +/- 0.41   0.002% *  0.1600% (0.34   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   TRP   27  17.49 +/- 1.18   0.002% *  0.1760% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2431 (8.82, 2.99, 30.32 ppm):
    2 chemical-shift based assignments, quality = 0.647, support = 5.76, residual support = 44.3:
          HN    ASN   28 - HB3   TRP   27   3.97 +/- 0.05  99.992% * 99.4712% (0.65   5.76  44.25) = 100.000%  kept
          HN    ASN   69 - HB3   TRP   27  19.23 +/- 0.35   0.008% *  0.5288% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 1 structures by 0.21 A, kept.
 
    Peak 2432 (7.88, 4.13, 56.27 ppm):
    5 chemical-shift based assignments, quality = 0.223, support = 3.51, residual support = 17.4:
          HN    LEU   31 - HA    ASN   28   3.07 +/- 0.14  99.927% * 95.0363% (0.22   3.51  17.39) =  99.999%  kept
          HN    LYS+  38 - HA    ASN   28  12.20 +/- 0.25   0.026% *  2.3851% (0.98   0.02   0.02) =   0.001%
          HN    SER   37 - HA    ASN   28  11.14 +/- 0.16   0.045% *  0.4261% (0.18   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ASN   28  24.99 +/- 0.64   0.000% *  1.4759% (0.61   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ASN   28  22.10 +/- 0.62   0.001% *  0.6765% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 4.01, residual support = 6.34:
          HN    GLN   30 - HA    ASN   28   4.06 +/- 0.09  97.805% * 92.7627% (0.18   4.01   6.34) =  99.984%  kept
          HN    ASN   35 - HA    ASN   28   7.72 +/- 0.20   2.113% *  0.5882% (0.22   0.02   0.02) =   0.014%
          HN    LYS+  99 - HA    ASN   28  14.57 +/- 0.63   0.047% *  2.4389% (0.92   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    ASN   28  17.22 +/- 2.57   0.025% *  1.9185% (0.73   0.02   0.02) =   0.001%
          HE1   HIS  122 - HA    ASN   28  19.50 +/- 2.02   0.009% *  2.2917% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2434 (8.82, 2.93, 38.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 6.1, residual support = 89.5:
      O   HN    ASN   28 - HB2   ASN   28   2.33 +/- 0.20  99.979% * 99.2454% (0.65   6.10  89.52) = 100.000%  kept
          HN    ASN   28 - HB2   ASN   35   9.94 +/- 0.46   0.020% *  0.1012% (0.20   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   35  16.64 +/- 0.53   0.001% *  0.1550% (0.31   0.02   0.02) =   0.000%
          HN    ASN   69 - HB2   ASN   28  21.77 +/- 0.36   0.000% *  0.4984% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 3.24, residual support = 89.5:
      O   HD22  ASN   28 - HB3   ASN   28   3.71 +/- 0.07  99.989% * 99.8432% (0.98   3.24  89.52) = 100.000%  kept
          QE    PHE   72 - HB3   ASN   28  17.00 +/- 0.49   0.011% *  0.1568% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2436 (7.62, 2.73, 38.30 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 3.24, residual support = 89.5:
      O   HD21  ASN   28 - HB3   ASN   28   2.70 +/- 0.14  99.898% * 98.5330% (0.87   3.24  89.52) =  99.999%  kept
          HZ2   TRP   87 - HB3   ASN   28   8.96 +/- 0.63   0.098% *  0.6875% (0.98   0.02   0.02) =   0.001%
          QE    PHE   60 - HB3   ASN   28  14.98 +/- 0.60   0.004% *  0.4818% (0.69   0.02   0.02) =   0.000%
          HN    LEU   63 - HB3   ASN   28  23.48 +/- 0.54   0.000% *  0.1749% (0.25   0.02   0.02) =   0.000%
          HN    ILE   56 - HB3   ASN   28  26.54 +/- 0.54   0.000% *  0.1228% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2437 (8.31, 2.73, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 5.38, residual support = 28.5:
          HN    GLU-  29 - HB3   ASN   28   3.46 +/- 0.25  92.389% * 47.5672% (0.45   5.59  30.42) =  91.881%  kept
          HN    GLN   30 - HB3   ASN   28   5.26 +/- 0.19   7.563% * 51.3396% (0.92   2.93   6.34) =   8.118%  kept
          HN    ASP-  86 - HB3   ASN   28  13.41 +/- 0.60   0.030% *  0.3291% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASN   28  18.22 +/- 2.66   0.007% *  0.3038% (0.80   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASN   28  16.65 +/- 0.81   0.009% *  0.2148% (0.57   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASN   28  22.01 +/- 2.02   0.002% *  0.2454% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 6.08, residual support = 89.5:
      O   HN    ASN   28 - HB3   ASN   28   3.43 +/- 0.32  98.247% * 99.5990% (0.92   6.08  89.52) =  99.999%  kept
          HN    GLU-  25 - HB3   ASN   28   6.75 +/- 0.53   1.732% *  0.0547% (0.15   0.02   4.36) =   0.001%
          HN    ASP-  44 - HB3   ASN   28  14.46 +/- 0.54   0.019% *  0.0621% (0.18   0.02   0.02) =   0.000%
          HN    ASN   69 - HB3   ASN   28  21.44 +/- 0.51   0.002% *  0.2841% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2439 (8.33, 2.93, 38.30 ppm):
    10 chemical-shift based assignments, quality = 0.364, support = 0.0194, residual support = 6.15:
          HN    GLN   30 - HB2   ASN   28   5.01 +/- 0.16  93.774% *  7.8959% (0.38   0.02   6.34) =  97.040%  kept
          HN    GLN   30 - HB2   ASN   35   8.27 +/- 0.38   4.823% *  2.4562% (0.12   0.02   0.02) =   1.552%
          HN    LYS+  99 - HB2   ASN   35  11.28 +/- 0.59   0.768% *  6.5298% (0.31   0.02   0.02) =   0.657%
          HN    ASP-  86 - HB2   ASN   28  13.10 +/- 0.58   0.308% *  6.4934% (0.31   0.02   0.02) =   0.262%
          HN    GLU-  14 - HB2   ASN   28  17.96 +/- 2.69   0.068% * 19.9013% (0.95   0.02   0.02) =   0.176%
          HN    LYS+  99 - HB2   ASN   28  17.52 +/- 0.67   0.054% * 20.9915% (1.00   0.02   0.02) =   0.149%
          HN    GLU-  14 - HB2   ASN   35  17.46 +/- 2.46   0.076% *  6.1907% (0.29   0.02   0.02) =   0.062%
          HE1   HIS  122 - HB2   ASN   35  17.99 +/- 2.22   0.056% *  6.5298% (0.31   0.02   0.02) =   0.048%
          HE1   HIS  122 - HB2   ASN   28  22.32 +/- 1.91   0.014% * 20.9915% (1.00   0.02   0.02) =   0.038%
          HN    ASP-  86 - HB2   ASN   35  17.20 +/- 0.75   0.059% *  2.0199% (0.10   0.02   0.02) =   0.016%
    Distance limit 3.23 A violated in 20 structures by 1.77 A, eliminated.
    Peak unassigned.
 
    Peak 2440 (7.62, 2.93, 38.30 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 3.29, residual support = 89.5:
      O   HD21  ASN   28 - HB2   ASN   28   2.38 +/- 0.14  99.919% * 97.6067% (0.61   3.29  89.52) = 100.000%  kept
          HZ2   TRP   87 - HB2   ASN   28   9.36 +/- 0.59   0.029% *  0.7826% (0.80   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASN   35   9.39 +/- 0.62   0.033% *  0.2434% (0.25   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASN   35  10.45 +/- 0.53   0.016% *  0.1844% (0.19   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   28  14.59 +/- 0.49   0.002% *  0.9022% (0.92   0.02   0.02) =   0.000%
          QE    PHE   60 - HB2   ASN   35  14.76 +/- 0.71   0.002% *  0.2807% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 5.76, residual support = 18.4:
      O   HN    GLN   30 - HA    GLU-  29   3.58 +/- 0.02  96.486% * 96.3760% (0.49   5.76  18.43) =  99.996%  kept
          HN    GLN   30 - HA    GLN   32   6.76 +/- 0.16   2.134% *  0.0749% (0.11   0.02   1.58) =   0.002%
          HN    GLN   30 - HA    LYS+  33   7.49 +/- 0.20   1.158% *  0.0917% (0.13   0.02   0.02) =   0.001%
          HN    GLU-  14 - HA    GLU-  29  14.75 +/- 2.75   0.037% *  0.6810% (0.99   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  13.01 +/- 2.53   0.078% *  0.1868% (0.27   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   32  13.47 +/- 0.60   0.035% *  0.1485% (0.22   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  17.67 +/- 0.55   0.007% *  0.6631% (0.96   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  14.64 +/- 0.40   0.021% *  0.1819% (0.26   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  16.85 +/- 0.45   0.009% *  0.2825% (0.41   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  16.75 +/- 2.58   0.014% *  0.1525% (0.22   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  22.01 +/- 1.50   0.002% *  0.6810% (0.99   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  19.05 +/- 1.39   0.005% *  0.1868% (0.27   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  19.64 +/- 2.03   0.004% *  0.1525% (0.22   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  17.14 +/- 0.60   0.008% *  0.0633% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  20.67 +/- 0.57   0.003% *  0.0775% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 20 structures by 0.41 A, eliminated.
    Peak unassigned.
 
    Peak 2442 (8.31, 2.25, 30.32 ppm):
    6 chemical-shift based assignments, quality = 0.611, support = 5.67, residual support = 59.4:
      O   HN    GLU-  29 - HB2   GLU-  29   2.61 +/- 0.59  75.356% * 31.5918% (0.41   5.72  88.05) =  58.838%  kept
          HN    GLN   30 - HB2   GLU-  29   3.18 +/- 0.34  24.633% * 67.6116% (0.90   5.61  18.43) =  41.162%  kept
          HN    GLU-  14 - HB2   GLU-  29  13.31 +/- 2.62   0.009% *  0.2245% (0.84   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLU-  29  16.99 +/- 0.76   0.001% *  0.2245% (0.84   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   GLU-  29  18.77 +/- 0.51   0.001% *  0.1630% (0.61   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLU-  29  21.96 +/- 1.23   0.000% *  0.1846% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.66, support = 5.22, residual support = 52.4:
          HN    GLN   30 - HB3   GLU-  29   3.41 +/- 0.35  37.060% * 63.1246% (0.90   4.69  18.43) =  51.176%  kept
      O   HN    GLU-  29 - HB3   GLU-  29   3.12 +/- 0.56  62.712% * 35.5892% (0.41   5.77  88.05) =  48.824%  kept
          HN    GLU-  14 - HB3   GLU-  29  12.95 +/- 2.90   0.050% *  0.2506% (0.84   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    GLU-  36   9.58 +/- 0.27   0.094% *  0.0834% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    GLU-  36  10.62 +/- 0.27   0.050% *  0.0382% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    GLU-  36  14.40 +/- 2.17   0.013% *  0.0776% (0.26   0.02   0.02) =   0.000%
          HN    LYS+  99 - QB    GLU-  36  13.27 +/- 0.44   0.013% *  0.0564% (0.19   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLU-  29  17.58 +/- 0.80   0.002% *  0.2506% (0.84   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLU-  29  18.83 +/- 0.49   0.002% *  0.1820% (0.61   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    GLU-  36  18.32 +/- 1.49   0.002% *  0.0638% (0.21   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLU-  29  22.05 +/- 1.25   0.001% *  0.2061% (0.69   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    GLU-  36  20.03 +/- 0.52   0.001% *  0.0776% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 0.931, support = 4.35, residual support = 87.8:
      O T HG2   GLU-  29 - HB3   GLU-  29   2.71 +/- 0.24  38.232% * 94.0086% (0.99   4.35  88.05) =  93.688%  kept
      O T HG2   GLU-  36 - QB    GLU-  36   2.48 +/- 0.08  61.746% *  3.9215% (0.04   4.29  83.61) =   6.312%  kept
        T HG2   GLU-  29 - QB    GLU-  36  10.15 +/- 0.44   0.014% *  0.1339% (0.31   0.02   0.02) =   0.000%
        T HG2   GLU-  36 - HB3   GLU-  29  11.85 +/- 1.28   0.006% *  0.0590% (0.14   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HB3   GLU-  29  17.13 +/- 0.80   0.001% *  0.4322% (0.99   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB3   GLU-  29  17.79 +/- 0.82   0.001% *  0.2469% (0.57   0.02   0.02) =   0.000%
          HB3   ASP-  86 - QB    GLU-  36  18.75 +/- 0.79   0.000% *  0.1339% (0.31   0.02   0.02) =   0.000%
          HG3   MET   96 - HB3   GLU-  29  18.52 +/- 0.60   0.000% *  0.1212% (0.28   0.02   0.02) =   0.000%
          HG3   MET   96 - QB    GLU-  36  17.13 +/- 0.40   0.001% *  0.0376% (0.09   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HB3   GLU-  29  24.66 +/- 0.73   0.000% *  0.2995% (0.69   0.02   0.02) =   0.000%
          QE    LYS+ 112 - HB3   GLU-  29  25.64 +/- 0.60   0.000% *  0.2469% (0.57   0.02   0.02) =   0.000%
          HB3   PHE   45 - QB    GLU-  36  21.31 +/- 0.35   0.000% *  0.0765% (0.18   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  29  23.53 +/- 0.53   0.000% *  0.0863% (0.20   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QB    GLU-  36  23.97 +/- 0.70   0.000% *  0.0928% (0.21   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QB    GLU-  36  25.45 +/- 0.71   0.000% *  0.0765% (0.18   0.02   0.02) =   0.000%
          HB    VAL  107 - QB    GLU-  36  22.53 +/- 0.29   0.000% *  0.0267% (0.06   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2445 (1.62, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.945, support = 0.02, residual support = 0.02:
          QD    LYS+  33 - HA    GLN   30   4.43 +/- 0.55  99.847% * 23.5232% (0.95   0.02   0.02) =  99.929%  kept
          HD2   LYS+  74 - HA    GLN   30  13.99 +/- 0.41   0.123% *  9.3329% (0.38   0.02   0.02) =   0.049%
          QB    ALA   57 - HA    GLN   30  18.38 +/- 0.35   0.024% * 17.0813% (0.69   0.02   0.02) =   0.017%
          HB3   LEU  123 - HA    GLN   30  25.76 +/- 0.93   0.003% * 23.5232% (0.95   0.02   0.02) =   0.003%
          HD3   LYS+ 111 - HA    GLN   30  30.03 +/- 0.93   0.001% * 18.0571% (0.73   0.02   0.02) =   0.001%
          HG3   ARG+  54 - HA    GLN   30  27.25 +/- 1.05   0.002% *  8.4823% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.78 A violated in 14 structures by 0.70 A, eliminated.
    Peak unassigned.
 
    Peak 2446 (0.83, 3.84, 58.37 ppm):
    5 chemical-shift based assignments, quality = 0.154, support = 0.02, residual support = 0.02:
          QD1   LEU   71 - HA    GLN   30   4.41 +/- 0.44  99.953% *  8.2693% (0.15   0.02   0.02) =  99.878%  kept
          QD2   LEU  123 - HA    GLN   30  21.24 +/- 0.69   0.010% * 48.0646% (0.90   0.02   0.02) =   0.055%
          HB3   LEU  104 - HA    GLN   30  19.46 +/- 0.42   0.016% * 22.0331% (0.41   0.02   0.02) =   0.042%
          QD1   LEU  123 - HA    GLN   30  19.37 +/- 1.07   0.017% *  8.2693% (0.15   0.02   0.02) =   0.017%
          HG3   LYS+ 121 - HA    GLN   30  24.10 +/- 0.50   0.004% * 13.3638% (0.25   0.02   0.02) =   0.007%
    Distance limit 3.99 A violated in 13 structures by 0.47 A, eliminated.
    Peak unassigned.
 
    Peak 2447 (8.31, 3.84, 58.37 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 6.35, residual support = 160.6:
      O   HN    GLN   30 - HA    GLN   30   2.85 +/- 0.01  97.564% * 98.9905% (0.98   6.35 160.63) =  99.995%  kept
          HN    GLU-  29 - HA    GLN   30   5.29 +/- 0.03   2.365% *  0.1801% (0.57   0.02  18.43) =   0.004%
          HN    GLU-  14 - HA    GLN   30  11.29 +/- 2.57   0.063% *  0.2185% (0.69   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   30  15.33 +/- 0.45   0.004% *  0.1426% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   30  17.57 +/- 0.49   0.002% *  0.3009% (0.95   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   30  18.25 +/- 1.18   0.002% *  0.1674% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 6.51, residual support = 160.6:
      O   HN    GLN   30 - HB2   GLN   30   3.55 +/- 0.05  96.672% * 99.0154% (0.98   6.51 160.63) =  99.994%  kept
          HN    GLU-  29 - HB2   GLN   30   6.32 +/- 0.08   3.023% *  0.1757% (0.57   0.02  18.43) =   0.006%
          HN    GLU-  14 - HB2   GLN   30  11.18 +/- 2.47   0.259% *  0.2131% (0.69   0.02   0.02) =   0.001%
          HN    LYS+  99 - HB2   GLN   30  14.20 +/- 0.70   0.025% *  0.1391% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   GLN   30  16.58 +/- 0.73   0.010% *  0.2935% (0.95   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   GLN   30  16.27 +/- 1.23   0.012% *  0.1632% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 6.71, residual support = 160.6:
      O   HN    GLN   30 - HB3   GLN   30   2.55 +/- 0.25  98.543% * 98.3916% (0.65   6.71 160.63) =  99.999%  kept
          HN    GLU-  29 - HB3   GLN   30   5.18 +/- 0.31   1.430% *  0.0898% (0.20   0.02  18.43) =   0.001%
          HN    GLU-  14 - HB3   GLN   30  12.59 +/- 2.44   0.018% *  0.4496% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   GLN   30  14.13 +/- 0.38   0.004% *  0.3935% (0.87   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB3   GLN   30  15.06 +/- 0.59   0.003% *  0.2568% (0.57   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   GLN   30  16.70 +/- 1.20   0.001% *  0.4187% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 7.29, residual support = 160.6:
          HN    GLN   30 - HG2   GLN   30   2.50 +/- 0.59  97.388% * 98.5185% (0.65   7.29 160.63) =  99.998%  kept
          HN    GLU-  29 - HG2   GLN   30   4.65 +/- 0.58   2.569% *  0.0827% (0.20   0.02  18.43) =   0.002%
          HN    GLU-  14 - HG2   GLN   30  11.43 +/- 2.54   0.037% *  0.4141% (0.99   0.02   0.02) =   0.000%
          HN    LYS+  99 - HG2   GLN   30  16.57 +/- 0.52   0.002% *  0.3624% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG2   GLN   30  18.62 +/- 1.28   0.001% *  0.3857% (0.92   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG2   GLN   30  16.39 +/- 0.59   0.002% *  0.2366% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 4.5, residual support = 160.6:
      O   HE21  GLN   30 - HG2   GLN   30   3.40 +/- 0.43  99.167% * 98.6432% (0.87   4.50 160.63) =  99.996%  kept
          HD1   TRP   27 - HG2   GLN   30   7.83 +/- 0.46   0.823% *  0.5047% (1.00   0.02   0.02) =   0.004%
          QD    PHE   59 - HG2   GLN   30  16.62 +/- 0.64   0.010% *  0.5047% (1.00   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG2   GLN   30  26.29 +/- 0.74   0.001% *  0.3474% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.60 A violated in 1 structures by 0.08 A, kept.
 
    Peak 2452 (7.19, 2.03, 33.78 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 3.64, residual support = 160.6:
      O   HE21  GLN   30 - HG3   GLN   30   3.61 +/- 0.48  95.931% * 97.7293% (0.87   3.64 160.63) =  99.993%  kept
          HD1   TRP   27 - HG3   GLN   30   8.61 +/- 0.84   0.750% *  0.6169% (1.00   0.02   0.02) =   0.005%
          QD    PHE   59 - HB2   LYS+ 111   8.03 +/- 0.49   1.046% *  0.1240% (0.20   0.02   0.02) =   0.001%
          QD    PHE   59 - HB2   PRO   93   7.48 +/- 0.26   1.484% *  0.0481% (0.08   0.02   0.02) =   0.001%
          HH2   TRP   49 - HB2   PRO   93   8.53 +/- 0.21   0.701% *  0.0331% (0.05   0.02   0.02) =   0.000%
          QD    PHE   59 - HG3   GLN   30  16.50 +/- 0.62   0.013% *  0.6169% (1.00   0.02   0.02) =   0.000%
          HH2   TRP   49 - HB2   LYS+ 111  13.07 +/- 0.88   0.052% *  0.0854% (0.14   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   PRO   93  16.95 +/- 1.09   0.011% *  0.0418% (0.07   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   PRO   93  17.69 +/- 0.54   0.009% *  0.0481% (0.08   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG3   GLN   30  26.57 +/- 0.73   0.001% *  0.4247% (0.69   0.02   0.02) =   0.000%
          HE21  GLN   30 - HB2   LYS+ 111  24.36 +/- 0.83   0.001% *  0.1078% (0.17   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 111  25.06 +/- 0.69   0.001% *  0.1240% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 7 structures by 0.14 A, kept.
 
    Peak 2453 (8.32, 2.03, 33.78 ppm):
    18 chemical-shift based assignments, quality = 0.647, support = 6.22, residual support = 160.6:
          HN    GLN   30 - HG3   GLN   30   3.10 +/- 0.59  96.066% * 97.7088% (0.65   6.22 160.63) =  99.995%  kept
          HN    GLU-  29 - HG3   GLN   30   5.38 +/- 0.68   3.592% *  0.0962% (0.20   0.02  18.43) =   0.004%
          HN    GLU-  14 - HG3   GLN   30  10.67 +/- 2.48   0.291% *  0.4816% (0.99   0.02   0.02) =   0.001%
          HN    LYS+  99 - HG3   GLN   30  16.51 +/- 0.56   0.006% *  0.4215% (0.87   0.02   0.02) =   0.000%
          HE1   HIS  122 - HG3   GLN   30  18.37 +/- 0.98   0.004% *  0.4486% (0.92   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG3   GLN   30  17.05 +/- 0.92   0.005% *  0.2751% (0.57   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   LYS+ 111  15.36 +/- 0.70   0.010% *  0.0902% (0.19   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   PRO   93  15.92 +/- 0.54   0.008% *  0.0350% (0.07   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   PRO   93  15.73 +/- 0.48   0.008% *  0.0214% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   LYS+ 111  20.52 +/- 0.66   0.002% *  0.0847% (0.17   0.02   0.02) =   0.000%
          HN    ASP-  86 - HB2   LYS+ 111  21.39 +/- 0.78   0.001% *  0.0553% (0.11   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   PRO   93  19.79 +/- 0.25   0.002% *  0.0328% (0.07   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   PRO   93  19.88 +/- 0.67   0.002% *  0.0245% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   PRO   93  24.16 +/- 1.47   0.001% *  0.0375% (0.08   0.02   0.02) =   0.000%
          HN    GLN   30 - HB2   LYS+ 111  27.37 +/- 0.67   0.000% *  0.0632% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+ 111  31.06 +/- 1.13   0.000% *  0.0968% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   PRO   93  21.09 +/- 0.73   0.001% *  0.0075% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   LYS+ 111  28.92 +/- 0.78   0.000% *  0.0193% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2454 (0.81, 1.89, 28.09 ppm):
    5 chemical-shift based assignments, quality = 0.181, support = 4.39, residual support = 37.9:
          HG    LEU   31 - HB3   GLN   30   4.27 +/- 0.35  34.460% * 79.7296% (0.15   5.82  50.84) =  71.647%  kept
          QD2   LEU   73 - HB3   GLN   30   3.64 +/- 0.93  65.533% * 16.5914% (0.25   0.75   5.22) =  28.353%  kept
        T QD1   ILE   56 - HB3   GLN   30  18.07 +/- 0.30   0.004% *  0.8637% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  123 - HB3   GLN   30  20.22 +/- 0.72   0.002% *  1.0762% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB3   GLN   30  22.42 +/- 0.56   0.001% *  1.7392% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2455 (0.59, 1.89, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.21, residual support = 5.22:
          QD1   LEU   73 - HB3   GLN   30   2.12 +/- 0.22  99.911% * 96.9237% (0.87   3.21   5.22) =  99.999%  kept
          QD2   LEU   80 - HB3   GLN   30   7.75 +/- 0.47   0.057% *  0.6909% (0.99   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   GLN   30   8.96 +/- 0.71   0.027% *  0.2866% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB3   GLN   30  13.16 +/- 0.63   0.002% *  0.6047% (0.87   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   GLN   30  14.03 +/- 0.50   0.001% *  0.6047% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB3   GLN   30  14.31 +/- 0.78   0.001% *  0.1938% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   GLN   30  18.23 +/- 0.53   0.000% *  0.6956% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 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  19.58 +/- 0.66  33.264% * 54.6388% (0.97   0.02   0.02) =  64.109%  kept
          HG3   LYS+ 121 - HB2   GLN   30  22.22 +/- 0.63  15.580% * 36.6255% (0.65   0.02   0.02) =  20.128%  kept
          QD1   ILE   56 - HB2   GLN   30  18.20 +/- 0.28  51.155% *  8.7356% (0.15   0.02   0.02) =  15.763%  kept
    Distance limit 3.49 A violated in 20 structures by 12.77 A, eliminated.
    Peak unassigned.
 
    Peak 2457 (0.59, 2.04, 28.09 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 1.5, residual support = 5.22:
          QD1   LEU   73 - HB2   GLN   30   2.45 +/- 0.49  99.889% * 93.6632% (0.87   1.50   5.22) =  99.999%  kept
          QD2   LEU   80 - HB2   GLN   30   8.99 +/- 0.44   0.067% *  1.4233% (0.99   0.02   0.02) =   0.001%
          QG1   VAL   83 - HB2   GLN   30  10.34 +/- 0.74   0.025% *  0.5903% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   63 - HB2   GLN   30  12.93 +/- 0.71   0.008% *  1.2456% (0.87   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB2   GLN   30  13.78 +/- 0.66   0.005% *  1.2456% (0.87   0.02   0.02) =   0.000%
          QD2   LEU   63 - HB2   GLN   30  13.91 +/- 0.74   0.005% *  0.3993% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   GLN   30  18.09 +/- 0.54   0.001% *  1.4328% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 4.76, residual support = 160.6:
      O T HA    GLN   30 - HG3   GLN   30   2.84 +/- 0.47  95.468% * 95.9097% (0.65   4.76 160.63) =  99.998%  kept
          QB    SER   13 - HG3   GLN   30  10.91 +/- 2.87   0.180% *  0.4987% (0.80   0.02   0.02) =   0.001%
          HB2   CYS   53 - HB2   PRO   93   5.33 +/- 0.55   2.937% *  0.0121% (0.02   0.02   0.02) =   0.000%
        T HD3   PRO   52 - HB2   PRO   93   6.75 +/- 0.17   0.783% *  0.0352% (0.06   0.02   3.57) =   0.000%
          HB    THR   39 - HG3   GLN   30  11.10 +/- 0.58   0.038% *  0.4760% (0.76   0.02   0.02) =   0.000%
          HB3   SER   37 - HG3   GLN   30  10.59 +/- 0.53   0.048% *  0.3778% (0.61   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   LYS+ 111   7.71 +/- 0.37   0.374% *  0.0312% (0.05   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   PRO   93   9.47 +/- 0.45   0.105% *  0.0294% (0.05   0.02   0.02) =   0.000%
          HB3   SER   82 - HG3   GLN   30  16.34 +/- 1.14   0.005% *  0.6173% (0.99   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   LYS+ 111  13.53 +/- 0.64   0.013% *  0.0909% (0.15   0.02   0.02) =   0.000%
          HA    ILE   89 - HB2   LYS+ 111  14.09 +/- 0.67   0.010% *  0.0759% (0.12   0.02   0.02) =   0.000%
          HA    ILE   89 - HG3   GLN   30  19.03 +/- 0.83   0.002% *  0.3778% (0.61   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   LYS+ 111  14.11 +/- 0.24   0.009% *  0.0312% (0.05   0.02   0.02) =   0.000%
          HB    THR  118 - HB2   PRO   93  12.04 +/- 0.24   0.022% *  0.0121% (0.02   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLN   30  19.78 +/- 0.83   0.001% *  0.1553% (0.25   0.02   0.02) =   0.000%
          HD3   PRO   52 - HG3   GLN   30  24.11 +/- 0.77   0.000% *  0.4523% (0.73   0.02   0.02) =   0.000%
          HB    THR  118 - HG3   GLN   30  22.48 +/- 0.63   0.001% *  0.1553% (0.25   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   PRO   93  18.80 +/- 0.58   0.002% *  0.0481% (0.08   0.02   0.02) =   0.000%
          HB3   SER   82 - HB2   LYS+ 111  26.09 +/- 0.74   0.000% *  0.1241% (0.20   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   PRO   93  20.89 +/- 0.66   0.001% *  0.0314% (0.05   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   LYS+ 111  25.59 +/- 0.58   0.000% *  0.0957% (0.15   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   PRO   93  22.00 +/- 0.56   0.001% *  0.0371% (0.06   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   PRO   93  23.35 +/- 1.07   0.000% *  0.0389% (0.06   0.02   0.02) =   0.000%
        T HA    GLN   30 - HB2   LYS+ 111  27.90 +/- 0.60   0.000% *  0.0810% (0.13   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   PRO   93  24.00 +/- 0.52   0.000% *  0.0294% (0.05   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   LYS+ 111  29.37 +/- 1.01   0.000% *  0.1002% (0.16   0.02   0.02) =   0.000%
          HB3   SER   37 - HB2   LYS+ 111  28.16 +/- 0.56   0.000% *  0.0759% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2459 (6.74, 0.00, 23.44 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 1.27, residual support = 13.0:
          HZ2   TRP   27 - QD1   LEU   31   2.29 +/- 0.24  99.994% * 99.7203% (0.87   1.27  13.04) = 100.000%  kept
          HZ    PHE   72 - QD1   LEU   31  12.58 +/- 0.65   0.006% *  0.2797% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2460 (7.60, 0.00, 23.44 ppm):
    7 chemical-shift based assignments, quality = 0.764, support = 0.75, residual support = 2.24:
          HZ2   TRP   87 - QD1   LEU   31   2.82 +/- 0.30  98.742% * 90.2723% (0.76   0.75   2.24) =  99.964%  kept
          HD21  ASN   28 - QD1   LEU   31   6.24 +/- 0.28   1.027% *  2.9077% (0.92   0.02  17.39) =   0.033%
          HN    ALA   84 - QD1   LEU   31   8.66 +/- 0.59   0.133% *  0.8758% (0.28   0.02   0.02) =   0.001%
          QE    PHE   60 - QD1   LEU   31   9.43 +/- 0.62   0.090% *  0.6234% (0.20   0.02   0.02) =   0.001%
          HN    LEU   63 - QD1   LEU   31  15.63 +/- 0.49   0.004% *  2.4073% (0.76   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU   31  18.52 +/- 0.37   0.001% *  2.0377% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   31  17.88 +/- 0.40   0.002% *  0.8758% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2461 (7.82, 0.00, 23.44 ppm):
    3 chemical-shift based assignments, quality = 0.874, support = 0.0199, residual support = 0.0199:
          HN    ALA   88 - QD1   LEU   31  10.00 +/- 0.37  68.595% * 52.6698% (0.97   0.02   0.02) =  85.859%  kept
          HN    ASP- 105 - QD1   LEU   31  11.55 +/- 0.60  30.372% * 18.6164% (0.34   0.02   0.02) =  13.437%  kept
          HN    PHE   55 - QD1   LEU   31  20.12 +/- 0.40   1.032% * 28.7138% (0.53   0.02   0.02) =   0.704%
    Distance limit 4.25 A violated in 20 structures by 5.14 A, eliminated.
    Peak unassigned.
 
    Peak 2462 (7.86, 0.79, 27.16 ppm):
    5 chemical-shift based assignments, quality = 0.669, support = 7.57, residual support = 232.2:
          HN    LEU   31 - HG    LEU   31   2.66 +/- 0.37  99.955% * 99.1275% (0.67   7.57 232.22) = 100.000%  kept
          HN    LYS+  38 - HG    LEU   31  11.00 +/- 0.71   0.044% *  0.2027% (0.52   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG    LEU   31  19.89 +/- 0.98   0.001% *  0.2810% (0.72   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG    LEU   31  23.41 +/- 0.64   0.000% *  0.3106% (0.79   0.02   0.02) =   0.000%
          HN    PHE   55 - HG    LEU   31  24.17 +/- 0.60   0.000% *  0.0781% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2463 (7.88, 1.12, 40.94 ppm):
    4 chemical-shift based assignments, quality = 0.341, support = 7.15, residual support = 232.2:
      O   HN    LEU   31 - HB3   LEU   31   3.52 +/- 0.04  99.595% * 98.2496% (0.34   7.15 232.22) =  99.997%  kept
          HN    LYS+  38 - HB3   LEU   31   8.85 +/- 0.29   0.402% *  0.8037% (1.00   0.02   0.02) =   0.003%
          HN    ASP-  62 - HB3   LEU   31  21.22 +/- 0.40   0.002% *  0.3311% (0.41   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB3   LEU   31  25.54 +/- 0.50   0.001% *  0.6156% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.03 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   3.65 +/- 0.19  89.464% * 98.9386% (0.76   5.91  44.69) =  99.957%  kept
          HN    ALA   34 - HB3   LEU   31   5.26 +/- 0.14  10.489% *  0.3658% (0.84   0.02   5.07) =   0.043%
          HN    LEU   80 - HB3   LEU   31  14.41 +/- 0.47   0.024% *  0.3180% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB3   LEU   31  14.79 +/- 0.57   0.021% *  0.1644% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   LEU   31  23.80 +/- 0.39   0.001% *  0.2132% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.06 A, kept.
 
    Peak 2465 (4.14, 1.33, 40.94 ppm):
    9 chemical-shift based assignments, quality = 0.726, support = 2.54, residual support = 17.4:
        T HA    ASN   28 - HB2   LEU   31   2.34 +/- 0.32  99.823% * 94.9205% (0.73   2.54  17.39) =  99.998%  kept
        T HA    ALA   34 - HB2   LEU   31   8.01 +/- 0.16   0.085% *  0.9224% (0.90   0.02   5.07) =   0.001%
          HA    THR   26 - HB2   LEU   31   7.96 +/- 0.27   0.074% *  0.7860% (0.76   0.02   0.02) =   0.001%
          HA1   GLY  101 - HB2   LEU   31  11.14 +/- 2.06   0.017% *  1.0194% (0.99   0.02   0.02) =   0.000%
          HA    LEU  115 - HB2   LEU   31  22.63 +/- 0.47   0.000% *  0.7860% (0.76   0.02   0.02) =   0.000%
          HA    GLU- 114 - HB2   LEU   31  26.03 +/- 0.54   0.000% *  1.0194% (0.99   0.02   0.02) =   0.000%
          HA    CYS   53 - HB2   LEU   31  22.57 +/- 0.52   0.000% *  0.1587% (0.15   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB2   LEU   31  25.97 +/- 0.76   0.000% *  0.2290% (0.22   0.02   0.02) =   0.000%
        T HA    ALA  124 - HB2   LEU   31  26.95 +/- 0.97   0.000% *  0.1587% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 7.15, residual support = 232.2:
      O   HN    LEU   31 - HB2   LEU   31   2.44 +/- 0.15  99.976% * 98.2496% (0.34   7.15 232.22) = 100.000%  kept
          HN    LYS+  38 - HB2   LEU   31   9.94 +/- 0.26   0.024% *  0.8037% (1.00   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   LEU   31  21.63 +/- 0.56   0.000% *  0.3311% (0.41   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   LEU   31  25.54 +/- 0.62   0.000% *  0.6156% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.24 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   2.69 +/- 0.15  98.731% * 98.9386% (0.76   5.91  44.69) =  99.995%  kept
          HN    ALA   34 - HB2   LEU   31   5.61 +/- 0.08   1.258% *  0.3658% (0.84   0.02   5.07) =   0.005%
          HN    LEU   80 - HB2   LEU   31  13.48 +/- 0.49   0.007% *  0.3180% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HB2   LEU   31  14.61 +/- 0.52   0.004% *  0.1644% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   LEU   31  23.79 +/- 0.53   0.000% *  0.2132% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 7.15, residual support = 232.2:
      O   HN    LEU   31 - HA    LEU   31   2.76 +/- 0.03  99.822% * 98.2496% (0.34   7.15 232.22) =  99.999%  kept
          HN    LYS+  38 - HA    LEU   31   7.95 +/- 0.22   0.177% *  0.8037% (1.00   0.02   0.02) =   0.001%
          HN    ASP-  62 - HA    LEU   31  19.43 +/- 0.45   0.001% *  0.3311% (0.41   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU   31  24.57 +/- 0.44   0.000% *  0.6156% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 0.792, support = 4.29, residual support = 29.3:
      O   HN    GLN   32 - HA    LEU   31   3.61 +/- 0.02  33.830% * 74.9848% (0.76   5.91  44.69) =  61.026%  kept
          HN    ALA   34 - HA    LEU   31   3.23 +/- 0.13  66.158% * 24.4878% (0.84   1.77   5.07) =  38.974%  kept
          HN    LEU   80 - HA    LEU   31  14.84 +/- 0.47   0.007% *  0.2411% (0.73   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LEU   31  15.99 +/- 0.55   0.005% *  0.1246% (0.38   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    LEU   31  23.04 +/- 0.33   0.000% *  0.1616% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.45 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   3.53 +/- 0.28  99.199% * 87.6997% (0.49   1.22   3.24) =  99.978%  kept
          QG1   VAL   83 - HA    LEU   31   9.35 +/- 0.64   0.368% *  2.3567% (0.80   0.02   0.02) =   0.010%
          QD2   LEU   80 - HA    LEU   31   9.63 +/- 0.62   0.278% *  2.5530% (0.87   0.02   0.02) =   0.008%
          QD1   LEU  104 - HA    LEU   31  11.95 +/- 0.66   0.073% *  2.9171% (0.99   0.02   0.02) =   0.002%
          QD1   LEU   63 - HA    LEU   31  13.39 +/- 0.61   0.038% *  1.4326% (0.49   0.02   0.02) =   0.001%
          QG2   ILE   89 - HA    LEU   31  13.28 +/- 0.38   0.039% *  0.5825% (0.20   0.02   0.02) =   0.000%
          QD2   LEU  115 - HA    LEU   31  18.61 +/- 0.52   0.005% *  2.4584% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2472 (7.73, 0.08, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.526, support = 3.57, residual support = 18.9:
          HD1   TRP   87 - QG2   VAL   83   1.84 +/- 0.09  99.830% * 96.0965% (0.53   3.57  18.88) =  99.999%  kept
          HN    TRP   27 - QG2   VAL   83   6.33 +/- 0.22   0.066% *  1.0240% (1.00   0.02   3.07) =   0.001%
          HE3   TRP   87 - QG2   VAL   83   5.86 +/- 0.14   0.098% *  0.4591% (0.45   0.02  18.88) =   0.000%
          HN    ALA   91 - QG2   VAL   83   9.97 +/- 0.58   0.004% *  0.8553% (0.84   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   VAL   83  14.27 +/- 0.40   0.000% *  0.5798% (0.57   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   VAL   83  15.89 +/- 0.41   0.000% *  0.7826% (0.76   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   VAL   83  13.27 +/- 0.38   0.001% *  0.2027% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2473 (6.72, 0.08, 20.84 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - QG2   VAL   83  15.11 +/- 0.56 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.15 A violated in 20 structures by 11.95 A, eliminated.
    Peak unassigned.
 
    Peak 2474 (7.17, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.43, support = 0.0197, residual support = 0.0197:
          QD    PHE   59 - QG2   VAL   42   6.07 +/- 0.64  88.283% * 17.5479% (0.39   0.02   0.02) =  82.130%  kept
          HE21  GLN   30 - QG2   VAL   42   9.00 +/- 1.17  10.280% * 30.1124% (0.67   0.02   0.02) =  16.411%  kept
          HD1   TRP   27 - QG2   VAL   42  12.36 +/- 0.59   1.304% * 17.5479% (0.39   0.02   0.02) =   1.213%
          HH2   TRP   49 - QG2   VAL   42  18.11 +/- 0.81   0.133% * 34.7918% (0.77   0.02   0.02) =   0.245%
    Distance limit 3.35 A violated in 20 structures by 2.60 A, eliminated.
    Peak unassigned.
 
    Peak 2475 (0.98, 0.15, 20.83 ppm):
    8 chemical-shift based assignments, quality = 0.79, support = 0.325, residual support = 1.41:
          QD2   LEU   40 - QG2   VAL   42   3.49 +/- 1.22  60.119% * 78.6709% (0.79   0.34   1.46) =  96.615%  kept
          QD1   LEU   67 - QG2   VAL   42   4.00 +/- 0.88  30.328% *  4.7226% (0.80   0.02   0.02) =   2.926%  kept
          QD2   LEU   71 - QG2   VAL   42   6.09 +/- 0.67   6.335% *  2.3039% (0.39   0.02   2.46) =   0.298%
          QG2   ILE  103 - QG2   VAL   42   7.44 +/- 0.84   0.501% *  4.6913% (0.79   0.02   0.02) =   0.048%
          HG3   LYS+  74 - QG2   VAL   42   9.41 +/- 1.15   0.456% *  4.4774% (0.76   0.02   0.02) =   0.042%
        T HB    VAL   75 - QG2   VAL   42   9.52 +/- 1.05   0.517% *  2.3039% (0.39   0.02   0.02) =   0.024%
          QG2   ILE  119 - QG2   VAL   42   7.08 +/- 0.37   1.097% *  1.0538% (0.18   0.02   0.02) =   0.024%
          QD1   ILE  103 - QG2   VAL   42   8.11 +/- 0.70   0.646% *  1.7764% (0.30   0.02   0.02) =   0.023%
    Distance limit 3.06 A violated in 6 structures by 0.33 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2476 (6.75, 0.07, 21.81 ppm):
    2 chemical-shift based assignments, quality = 0.991, support = 4.0, residual support = 13.0:
        T HZ2   TRP   27 - QD2   LEU   31   3.17 +/- 0.20  56.126% * 99.9662% (0.99   4.00  13.04) =  99.974%  kept
        T HZ2   TRP   27 - QG2   VAL   43   3.38 +/- 0.56  43.874% *  0.0338% (0.07   0.02   8.86) =   0.026%
    Distance limit 3.32 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2477 (6.64, 0.07, 21.81 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 3.2, residual support = 50.8:
          HE22  GLN   30 - QD2   LEU   31   3.83 +/- 0.18  91.737% * 99.1233% (0.90   3.21  50.84) =  99.996%  kept
          HE22  GLN   30 - QG2   VAL   43   5.89 +/- 0.59   8.116% *  0.0419% (0.06   0.02   0.02) =   0.004%
          HD22  ASN   69 - QD2   LEU   31  13.89 +/- 1.29   0.052% *  0.4462% (0.65   0.02   0.02) =   0.000%
          HN    TRP   49 - QD2   LEU   31  17.67 +/- 0.39   0.010% *  0.3357% (0.49   0.02   0.02) =   0.000%
          HN    TRP   49 - QG2   VAL   43  13.44 +/- 0.35   0.051% *  0.0227% (0.03   0.02   0.02) =   0.000%
          HD22  ASN   69 - QG2   VAL   43  14.44 +/- 0.79   0.035% *  0.0302% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 1 structures by 0.06 A, kept.
 
    Peak 2478 (4.68, 0.06, 21.48 ppm):
    6 chemical-shift based assignments, quality = 0.499, support = 3.0, residual support = 59.8:
      O T HA    VAL   43 - QG2   VAL   43   2.18 +/- 0.11  99.654% * 97.5800% (0.50   3.00  59.82) =  99.999%  kept
        T HA    VAL   43 - QD2   LEU   31   5.71 +/- 0.29   0.316% *  0.1867% (0.14   0.02   0.02) =   0.001%
          HA    HIS   22 - QG2   VAL   43   9.43 +/- 0.30   0.016% *  0.8879% (0.68   0.02   0.02) =   0.000%
          HA    HIS   22 - QD2   LEU   31  10.23 +/- 0.41   0.010% *  0.2548% (0.20   0.02   0.02) =   0.000%
          HA    ASN   69 - QG2   VAL   43  14.02 +/- 0.20   0.001% *  0.8475% (0.65   0.02   0.02) =   0.000%
          HA    ASN   69 - QD2   LEU   31  12.65 +/- 0.56   0.003% *  0.2432% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 1.75, residual support = 8.86:
          HZ3   TRP   27 - QG2   VAL   43   2.00 +/- 0.19  92.311% * 99.6734% (0.50   1.75   8.86) =  99.973%  kept
        T HZ3   TRP   27 - QD2   LEU   31   3.26 +/- 0.30   7.689% *  0.3266% (0.14   0.02  13.04) =   0.027%
    Distance limit 3.00 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 = 4.52, residual support = 43.1:
          HN    GLN   32 - QG    GLN   32   3.13 +/- 0.82  93.444% * 99.2779% (0.92   4.52  43.12) =  99.992%  kept
          HN    ALA   34 - QG    GLN   32   5.62 +/- 0.34   6.542% *  0.1060% (0.22   0.02   0.41) =   0.007%
          HN    SER   85 - QG    GLN   32  17.44 +/- 1.67   0.004% *  0.4593% (0.97   0.02   0.02) =   0.000%
          HN    LEU   80 - QG    GLN   32  15.69 +/- 1.36   0.008% *  0.0734% (0.15   0.02   0.02) =   0.000%
          HN    THR   94 - QG    GLN   32  20.27 +/- 1.01   0.002% *  0.0834% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 4.35, residual support = 43.1:
      O   HN    GLN   32 - QB    GLN   32   2.24 +/- 0.18  99.236% * 99.2498% (0.92   4.35  43.12) =  99.999%  kept
          HN    ALA   34 - QB    GLN   32   5.16 +/- 0.13   0.762% *  0.1101% (0.22   0.02   0.41) =   0.001%
          HN    SER   85 - QB    GLN   32  17.05 +/- 0.57   0.001% *  0.4772% (0.97   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    GLN   32  15.16 +/- 0.57   0.001% *  0.0763% (0.15   0.02   0.02) =   0.000%
          HN    THR   94 - QB    GLN   32  19.72 +/- 0.35   0.000% *  0.0866% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.13 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 = 5.9, residual support = 65.3:
      O   HN    GLU-  29 - HA    GLU-  29   2.72 +/- 0.01  83.021% * 27.1230% (0.14   5.96  88.05) =  67.250%  kept
      O   HN    GLN   30 - HA    GLU-  29   3.58 +/- 0.02  16.122% * 68.0032% (0.36   5.76  18.43) =  32.742%  kept
          HN    GLN   30 - HA    GLN   32   6.76 +/- 0.16   0.357% *  0.3626% (0.55   0.02   1.58) =   0.004%
          HN    GLN   30 - HA    LYS+  33   7.49 +/- 0.20   0.193% *  0.3731% (0.57   0.02   0.02) =   0.002%
          HN    GLU-  29 - HA    GLN   32   7.39 +/- 0.21   0.210% *  0.1398% (0.21   0.02   0.02) =   0.001%
          HN    GLU-  29 - HA    LYS+  33   9.11 +/- 0.22   0.060% *  0.1438% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  33  13.01 +/- 2.53   0.013% *  0.4302% (0.65   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLN   32  13.47 +/- 0.60   0.006% *  0.3288% (0.50   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLU-  29  14.75 +/- 2.75   0.006% *  0.2721% (0.41   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    LYS+  33  14.64 +/- 0.40   0.003% *  0.3384% (0.51   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    GLN   32  16.75 +/- 2.58   0.002% *  0.4180% (0.63   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLN   32  17.14 +/- 0.60   0.001% *  0.3288% (0.50   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    GLU-  29  16.85 +/- 0.45   0.001% *  0.2140% (0.32   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    LYS+  33  19.05 +/- 1.39   0.001% *  0.3731% (0.57   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLN   32  19.64 +/- 2.03   0.001% *  0.3626% (0.55   0.02   0.02) =   0.000%
          HN    LYS+  99 - HA    GLU-  29  17.67 +/- 0.55   0.001% *  0.2140% (0.32   0.02   0.02) =   0.000%
          HN    ASP-  86 - HA    LYS+  33  20.67 +/- 0.57   0.000% *  0.3384% (0.51   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    GLU-  29  22.01 +/- 1.50   0.000% *  0.2360% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.383, support = 4.11, residual support = 42.5:
      O   HN    GLN   32 - HA    GLN   32   2.73 +/- 0.02  86.422% * 86.7240% (0.39   4.17  43.12) =  98.462%  kept
          HN    GLN   32 - HA    GLU-  29   3.81 +/- 0.13  11.904% *  9.7722% (0.25   0.72   0.02) =   1.528%
          HN    GLN   32 - HA    LYS+  33   5.27 +/- 0.06   1.669% *  0.4276% (0.40   0.02  15.31) =   0.009%
          HN    SER   85 - HA    GLN   32  18.68 +/- 0.56   0.001% *  0.6775% (0.63   0.02   0.02) =   0.000%
          HN    SER   85 - HA    GLU-  29  17.70 +/- 0.47   0.001% *  0.4409% (0.41   0.02   0.02) =   0.000%
          HN    SER   85 - HA    LYS+  33  21.91 +/- 0.53   0.000% *  0.6971% (0.65   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLN   32  21.35 +/- 0.27   0.000% *  0.3572% (0.33   0.02   0.02) =   0.000%
          HN    THR   94 - HA    LYS+  33  22.58 +/- 0.26   0.000% *  0.3676% (0.34   0.02   0.02) =   0.000%
          HN    THR   94 - HA    GLU-  29  20.95 +/- 0.33   0.000% *  0.2325% (0.22   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLU-  29  17.50 +/- 0.27   0.001% *  0.0737% (0.07   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    GLN   32  20.52 +/- 0.36   0.000% *  0.1132% (0.11   0.02   0.02) =   0.000%
          HN    GLU-  79 - HA    LYS+  33  22.34 +/- 0.29   0.000% *  0.1165% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.04 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 = 0.663, support = 6.03, residual support = 151.2:
      O   HN    LYS+  33 - HA    LYS+  33   2.85 +/- 0.01  76.813% * 83.8629% (0.69   6.12 157.76) =  95.386%  kept
      O   HN    LYS+  33 - HA    GLN   32   3.55 +/- 0.01  20.646% * 15.0826% (0.18   4.28  15.31) =   4.611%  kept
          HN    LYS+  33 - HA    GLU-  29   5.07 +/- 0.22   2.518% *  0.0766% (0.19   0.02   0.02) =   0.003%
          HN    CYS   21 - HA    GLU-  29  12.06 +/- 0.30   0.014% *  0.1000% (0.25   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    LYS+  33  15.29 +/- 0.30   0.003% *  0.3580% (0.90   0.02   0.02) =   0.000%
          HN    CYS   21 - HA    GLN   32  15.22 +/- 0.32   0.003% *  0.0921% (0.23   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    LYS+  33  21.95 +/- 0.38   0.000% *  0.0995% (0.25   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    LYS+  33  25.17 +/- 0.36   0.000% *  0.1790% (0.45   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLU-  29  19.13 +/- 0.34   0.001% *  0.0278% (0.07   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN   32  19.09 +/- 0.34   0.001% *  0.0256% (0.06   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLN   32  25.52 +/- 0.38   0.000% *  0.0460% (0.12   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    GLU-  29  27.18 +/- 0.25   0.000% *  0.0500% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 0.496, support = 0.02, residual support = 0.02:
          HE3   TRP   27 - QB    LYS+  33   9.11 +/- 0.42  86.713% *  5.4417% (0.14   0.02   0.02) =  51.435%  kept
          QD    PHE   60 - QB    LYS+  33  13.31 +/- 0.35   9.408% * 37.1179% (0.92   0.02   0.02) =  38.064%  kept
          HN    LYS+  81 - QB    LYS+  33  18.57 +/- 0.64   1.235% * 39.4132% (0.98   0.02   0.02) =   5.304%  kept
          HN    LYS+  66 - QB    LYS+  33  16.51 +/- 0.55   2.645% * 18.0271% (0.45   0.02   0.02) =   5.197%  kept
    Distance limit 3.67 A violated in 20 structures by 5.22 A, eliminated.
    Peak unassigned.
 
    Peak 2488 (7.95, 1.86, 32.27 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.78, residual support = 157.8:
      O   HN    LYS+  33 - QB    LYS+  33   2.22 +/- 0.29  99.994% * 99.7351% (0.97   5.78 157.76) = 100.000%  kept
          HN    CYS   21 - QB    LYS+  33  11.67 +/- 0.36   0.006% *  0.2023% (0.57   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    LYS+  33  21.43 +/- 0.45   0.000% *  0.0626% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2489 (8.07, 1.86, 32.27 ppm):
    5 chemical-shift based assignments, quality = 0.916, support = 5.89, residual support = 46.7:
          HN    ALA   34 - QB    LYS+  33   2.75 +/- 0.18  94.632% * 67.5542% (0.92   5.94  47.56) =  97.383%  kept
          HN    GLN   32 - QB    LYS+  33   4.60 +/- 0.32   5.364% * 32.0220% (0.65   4.02  15.31) =   2.617%  kept
          HN    LEU   80 - QB    LYS+  33  16.26 +/- 0.58   0.002% *  0.2058% (0.84   0.02   0.02) =   0.000%
          HN    SER   85 - QB    LYS+  33  18.71 +/- 0.56   0.001% *  0.0685% (0.28   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    LYS+  33  23.28 +/- 0.34   0.000% *  0.1495% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.304, support = 0.02, residual support = 0.02:
          HN    GLY   16 - QB    LYS+  33   9.60 +/- 1.07  92.238% *  8.4971% (0.20   0.02   0.02) =  78.034%  kept
          HN    ILE  103 - QB    LYS+  33  16.40 +/- 0.50   4.410% * 24.3087% (0.57   0.02   0.02) =  10.672%  kept
          HN    SER   82 - QB    LYS+  33  18.53 +/- 0.73   2.173% * 34.3809% (0.80   0.02   0.02) =   7.439%  kept
          HN    GLN   90 - QB    LYS+  33  20.50 +/- 0.95   1.180% * 32.8133% (0.76   0.02   0.02) =   3.854%  kept
    Distance limit 3.87 A violated in 20 structures by 5.58 A, eliminated.
    Peak unassigned.
 
    Peak 2491 (4.02, 1.55, 25.23 ppm):
    24 chemical-shift based assignments, quality = 0.525, support = 5.71, residual support = 157.6:
      O   HA    LYS+  33 - HG2   LYS+  33   3.82 +/- 0.24  73.765% * 94.4250% (0.53   5.72 157.76) =  99.868%  kept
          HB2   SER   37 - HG2   LYS+  33   5.71 +/- 1.28  14.294% *  0.5241% (0.84   0.02   0.02) =   0.107%
          HB2   SER   82 - QG    LYS+  81   5.56 +/- 0.30   8.323% *  0.0835% (0.13   0.02  11.88) =   0.010%
          HA    GLU-  29 - HG2   LYS+  33   7.32 +/- 1.16   2.774% *  0.2355% (0.38   0.02   0.02) =   0.009%
          HA    VAL   70 - HG2   LYS+  33   9.58 +/- 1.52   0.465% *  0.5241% (0.84   0.02   0.02) =   0.003%
          HA1   GLY   16 - HG2   LYS+  33  11.52 +/- 1.73   0.147% *  0.3054% (0.49   0.02   0.02) =   0.001%
          HA    VAL   18 - HG2   LYS+  33  11.20 +/- 0.88   0.141% *  0.2140% (0.34   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+ 106  14.50 +/- 0.77   0.026% *  0.3179% (0.51   0.02   0.02) =   0.000%
          HA    VAL   70 - HG2   LYS+ 106  16.29 +/- 0.99   0.014% *  0.3179% (0.51   0.02   0.02) =   0.000%
          HA    GLU-  29 - QG    LYS+  81  16.69 +/- 0.34   0.011% *  0.1128% (0.18   0.02   0.02) =   0.000%
          HB2   SER   37 - HG2   LYS+ 106  20.62 +/- 1.03   0.003% *  0.3179% (0.51   0.02   0.02) =   0.000%
          HA    VAL   18 - QG    LYS+  81  17.48 +/- 0.43   0.009% *  0.1025% (0.16   0.02   0.02) =   0.000%
          HA    VAL   18 - HG2   LYS+ 106  18.37 +/- 1.12   0.007% *  0.1298% (0.21   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+  33  20.93 +/- 0.86   0.003% *  0.1745% (0.28   0.02   0.02) =   0.000%
          HA    GLN  116 - HG2   LYS+  33  25.38 +/- 1.34   0.001% *  0.5241% (0.84   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG2   LYS+ 106  21.61 +/- 1.10   0.002% *  0.1852% (0.30   0.02   0.02) =   0.000%
          HA    VAL   70 - QG    LYS+  81  22.67 +/- 0.28   0.002% *  0.2509% (0.40   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG2   LYS+ 106  22.07 +/- 1.25   0.002% *  0.2002% (0.32   0.02   0.02) =   0.000%
          HA    LYS+  33 - QG    LYS+  81  21.39 +/- 0.40   0.003% *  0.1581% (0.25   0.02   0.02) =   0.000%
          HB2   SER   82 - HG2   LYS+ 106  20.86 +/- 1.26   0.003% *  0.1058% (0.17   0.02   0.02) =   0.000%
          HB2   SER   37 - QG    LYS+  81  23.71 +/- 0.75   0.001% *  0.2509% (0.40   0.02   0.02) =   0.000%
          HA    GLN  116 - QG    LYS+  81  24.18 +/- 0.40   0.001% *  0.2509% (0.40   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG2   LYS+ 106  22.85 +/- 1.47   0.002% *  0.1428% (0.23   0.02   0.02) =   0.000%
          HA1   GLY   16 - QG    LYS+  81  23.46 +/- 0.62   0.001% *  0.1462% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2492 (0.79, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.979, support = 0.02, residual support = 112.4:
        T QD1   ILE   56 - QG2   ILE   56   3.27 +/- 0.01  99.783% * 28.4642% (0.98   0.02 112.56) =  99.874%  kept
          QD2   LEU   73 - QG2   ILE   56  10.25 +/- 0.76   0.121% * 23.2528% (0.80   0.02   0.02) =   0.099%
          HG3   LYS+ 121 - QG2   ILE   56  14.14 +/- 0.44   0.015% * 21.0868% (0.73   0.02   0.02) =   0.011%
          QD2   LEU  123 - QG2   ILE   56  11.95 +/- 0.54   0.043% *  3.9300% (0.14   0.02   0.02) =   0.006%
          HG    LEU   31 - QG2   ILE   56  15.75 +/- 0.49   0.008% * 18.7856% (0.65   0.02   0.02) =   0.005%
        T QG1   VAL   41 - QG2   ILE   56  12.70 +/- 0.32   0.029% *  4.4806% (0.15   0.02   0.02) =   0.005%
    Distance limit 2.76 A violated in 20 structures by 0.50 A, eliminated.
    Peak unassigned.
 
    Peak 2493 (4.17, 1.27, 17.92 ppm):
    6 chemical-shift based assignments, quality = 0.991, support = 0.02, residual support = 0.02:
        T HA    CYS   53 - QG2   ILE   56   2.05 +/- 0.25  99.986% * 29.1279% (0.99   0.02   0.02) =  99.995%  kept
          HA    GLU- 114 - QG2   ILE   56   9.99 +/- 0.43   0.011% *  7.3280% (0.25   0.02   0.02) =   0.003%
        T HA    ILE   19 - QG2   ILE   56  12.63 +/- 0.32   0.002% * 24.5469% (0.84   0.02   0.02) =   0.002%
          HA    THR   26 - QG2   ILE   56  17.91 +/- 0.25   0.000% * 16.6381% (0.57   0.02   0.02) =   0.000%
          HA    GLU-  25 - QG2   ILE   56  19.45 +/- 0.24   0.000% * 17.8247% (0.61   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   ILE   56  18.70 +/- 1.19   0.000% *  4.5344% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2494 (4.45, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.709, support = 1.37, residual support = 8.8:
          HA    ALA  110 - QG2   ILE   56   3.39 +/- 0.13  86.317% * 12.7074% (0.65   0.74   6.92) =  77.241%  kept
          HA    PHE   55 - QG2   ILE   56   5.74 +/- 0.08   3.741% * 86.0944% (0.92   3.52  15.20) =  22.681%  kept
          HA    THR   46 - QG2   ILE   56   4.93 +/- 0.18   9.685% *  0.1049% (0.20   0.02   0.02) =   0.072%
          HA    VAL   42 - QG2   ILE   56  10.21 +/- 0.32   0.119% *  0.4243% (0.80   0.02   0.02) =   0.004%
          HA    GLN   90 - QG2   ILE   56  10.70 +/- 0.62   0.095% *  0.4049% (0.76   0.02   0.02) =   0.003%
          HA    GLN   17 - QG2   ILE   56  12.29 +/- 0.44   0.041% *  0.1321% (0.25   0.02   0.02) =   0.000%
          HA    SER   37 - QG2   ILE   56  21.75 +/- 0.37   0.001% *  0.1321% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.07 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  10.25 +/- 0.21 100.000% *100.0000% (0.73   0.02   0.02) = 100.000%  kept
    Distance limit 2.97 A violated in 20 structures by 7.29 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 = 25.4:
          HN    ALA   57 - QG2   ILE   56   3.46 +/- 0.19  99.695% * 98.9918% (0.92   4.66  25.38) =  99.999%  kept
          HE21  GLN  116 - QG2   ILE   56  10.25 +/- 0.89   0.171% *  0.3994% (0.87   0.02   0.02) =   0.001%
          HN    ALA  120 - QG2   ILE   56  11.31 +/- 0.31   0.088% *  0.2241% (0.49   0.02   0.02) =   0.000%
          HE21  GLN   90 - QG2   ILE   56  13.00 +/- 1.07   0.046% *  0.3846% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2497 (7.60, 1.27, 17.92 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 6.24, residual support = 112.6:
          HN    ILE   56 - QG2   ILE   56   2.86 +/- 0.11  96.797% * 98.4360% (0.65   6.24 112.56) =  99.995%  kept
          HN    LYS+ 111 - QG2   ILE   56   5.42 +/- 0.25   2.214% *  0.1357% (0.28   0.02   2.30) =   0.003%
          HN    LEU   63 - QG2   ILE   56   7.75 +/- 0.21   0.258% *  0.3729% (0.76   0.02   0.02) =   0.001%
          QE    PHE   60 - QG2   ILE   56   6.59 +/- 0.38   0.714% *  0.0966% (0.20   0.02   0.02) =   0.001%
          HZ2   TRP   87 - QG2   ILE   56  14.69 +/- 0.47   0.006% *  0.3729% (0.76   0.02   0.02) =   0.000%
          HN    ALA   84 - QG2   ILE   56  13.32 +/- 0.27   0.010% *  0.1357% (0.28   0.02   0.02) =   0.000%
          HD21  ASN   28 - QG2   ILE   56  19.74 +/- 0.50   0.001% *  0.4504% (0.92   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2498 (3.86, 1.28, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.753, support = 1.49, residual support = 3.07:
        T HB    THR   39 - QB    ALA   34   3.62 +/- 0.28  56.074% * 44.0434% (0.80   1.55   3.84) =  64.032%  kept
          HB3   SER   37 - QB    ALA   34   3.90 +/- 0.26  36.705% * 34.0286% (0.69   1.41   1.85) =  32.383%  kept
          HA    GLN   30 - QB    ALA   34   5.14 +/- 0.22   7.071% * 19.5390% (0.44   1.27   0.30) =   3.582%  kept
          QB    SER   13 - QB    ALA   34  11.51 +/- 2.33   0.120% *  0.5843% (0.83   0.02   0.02) =   0.002%
          HB3   SER   82 - QB    ALA   34  15.45 +/- 0.75   0.010% *  0.6274% (0.89   0.02   0.02) =   0.000%
          HA    ILE   89 - QB    ALA   34  15.54 +/- 0.25   0.009% *  0.4837% (0.69   0.02   0.02) =   0.000%
          HB    THR  118 - QB    ALA   34  15.82 +/- 0.29   0.008% *  0.2376% (0.34   0.02   0.02) =   0.000%
          HD3   PRO   52 - QB    ALA   34  21.91 +/- 0.22   0.001% *  0.3584% (0.51   0.02   0.02) =   0.000%
          HB2   CYS   53 - QB    ALA   34  18.52 +/- 0.50   0.003% *  0.0977% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 5.07:
          HA    LEU   31 - QB    ALA   34   2.68 +/- 0.23 100.000% *100.0000% (0.65   0.75   5.07) = 100.000%  kept
    Distance limit 3.30 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 = 9.05:
        T QG1   VAL   41 - QB    ALA   34   1.78 +/- 0.23  98.251% * 97.1548% (0.75   2.96   9.05) =  99.988%  kept
          HG    LEU   31 - QB    ALA   34   5.31 +/- 0.75   0.838% *  0.7262% (0.83   0.02   5.07) =   0.006%
          QD2   LEU   73 - QB    ALA   34   4.32 +/- 0.31   0.753% *  0.6299% (0.72   0.02   0.02) =   0.005%
          QG1   VAL   43 - QB    ALA   34   5.53 +/- 0.22   0.151% *  0.5089% (0.58   0.02   0.02) =   0.001%
        T QG2   VAL   18 - QB    ALA   34   9.50 +/- 0.33   0.006% *  0.3234% (0.37   0.02   0.02) =   0.000%
          QG2   THR   46 - QB    ALA   34  12.67 +/- 0.32   0.001% *  0.2428% (0.28   0.02   0.02) =   0.000%
        T QD1   ILE   56 - QB    ALA   34  15.35 +/- 0.27   0.000% *  0.4139% (0.47   0.02   0.02) =   0.000%
    Distance limit 2.55 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 = 3.29, residual support = 18.6:
          HN    ASN   35 - QB    ALA   34   2.84 +/- 0.10  99.938% * 98.5925% (0.62   3.29  18.58) = 100.000%  kept
          HN    PHE   97 - QB    ALA   34  10.04 +/- 0.21   0.052% *  0.2690% (0.28   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    ALA   34  15.04 +/- 2.97   0.008% *  0.8695% (0.89   0.02   0.02) =   0.000%
          HN    LEU  115 - QB    ALA   34  18.55 +/- 0.32   0.001% *  0.2690% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 3.83, residual support = 26.1:
      O   HN    ALA   34 - QB    ALA   34   2.09 +/- 0.07  99.995% * 98.4214% (0.58   3.83  26.09) = 100.000%  kept
          HN    THR   26 - QB    ALA   34  11.21 +/- 0.25   0.004% *  0.2207% (0.25   0.02   0.02) =   0.000%
          HN    LEU   80 - QB    ALA   34  14.68 +/- 0.37   0.001% *  0.6068% (0.69   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   34  19.66 +/- 0.27   0.000% *  0.7510% (0.85   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 3.63, residual support = 26.1:
      O   HN    ALA   34 - HA    ALA   34   2.79 +/- 0.02  99.650% * 98.3418% (0.87   3.63  26.09) =  99.999%  kept
          HN    GLN   32 - HA    ALA   34   7.15 +/- 0.07   0.349% *  0.1561% (0.25   0.02   0.41) =   0.001%
          HN    LEU   80 - HA    ALA   34  19.75 +/- 0.43   0.001% *  0.5602% (0.89   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA   34  25.58 +/- 0.32   0.000% *  0.5311% (0.85   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    ALA  124  23.35 +/- 1.02   0.000% *  0.1244% (0.20   0.02   0.02) =   0.000%
          HN    CYS   53 - HA    ALA  124  27.18 +/- 0.34   0.000% *  0.1219% (0.19   0.02   0.02) =   0.000%
          HN    LEU   80 - HA    ALA  124  33.21 +/- 0.81   0.000% *  0.1286% (0.21   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    ALA  124  27.43 +/- 1.01   0.000% *  0.0358% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.892, support = 1.41, residual support = 2.25:
          HB3   SER   37 - HA    ALA   34   2.32 +/- 0.34  85.971% * 37.8415% (0.89   1.26   1.85) =  79.911%  kept
          HB    THR   39 - HA    ALA   34   3.37 +/- 0.31  13.854% * 59.0333% (0.88   2.00   3.84) =  20.089%  kept
          HA    GLN   30 - HA    ALA   34   6.87 +/- 0.28   0.165% *  0.1055% (0.16   0.02   0.30) =   0.000%
          QB    SER   13 - HA    ALA   34  13.01 +/- 2.86   0.007% *  0.5812% (0.87   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA  124  14.19 +/- 0.42   0.002% *  0.1057% (0.16   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA   34  21.09 +/- 0.32   0.000% *  0.6009% (0.89   0.02   0.02) =   0.000%
          HB    THR  118 - HA    ALA   34  20.57 +/- 0.36   0.000% *  0.4603% (0.69   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA   34  20.74 +/- 0.91   0.000% *  0.4373% (0.65   0.02   0.02) =   0.000%
          HB    THR   39 - HA    ALA  124  17.94 +/- 1.07   0.001% *  0.1355% (0.20   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    ALA  124  20.66 +/- 1.25   0.000% *  0.1380% (0.21   0.02   0.02) =   0.000%
          QB    SER   13 - HA    ALA  124  24.05 +/- 1.42   0.000% *  0.1334% (0.20   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    ALA  124  27.45 +/- 0.71   0.000% *  0.1380% (0.21   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA   34  28.39 +/- 0.26   0.000% *  0.1341% (0.20   0.02   0.02) =   0.000%
          HA    GLN   30 - HA    ALA  124  26.19 +/- 0.91   0.000% *  0.0242% (0.04   0.02   0.02) =   0.000%
          HB3   SER   82 - HA    ALA  124  35.29 +/- 0.91   0.000% *  0.1004% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   52 - HA    ALA  124  30.27 +/- 0.41   0.000% *  0.0308% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.44 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   2.76 +/- 0.06  99.865% * 96.2798% (0.90   4.03  54.18) = 100.000%  kept
          HA    LYS+  99 - HB2   ASN   35   9.83 +/- 0.62   0.053% *  0.4075% (0.76   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   ASN   35   9.88 +/- 0.34   0.050% *  0.3449% (0.65   0.02   0.02) =   0.000%
        T HA    ASN   35 - HB2   ASN   28  11.87 +/- 0.34   0.016% *  0.1487% (0.28   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   35  15.28 +/- 1.48   0.004% *  0.2390% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   35  18.31 +/- 3.17   0.002% *  0.2390% (0.45   0.02   0.02) =   0.000%
          HA    LYS+  99 - HB2   ASN   28  16.84 +/- 0.66   0.002% *  0.1268% (0.24   0.02   0.02) =   0.000%
        T HA    LEU   40 - HB2   ASN   28  16.45 +/- 0.38   0.002% *  0.1073% (0.20   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   ASN   28  18.78 +/- 3.55   0.002% *  0.0744% (0.14   0.02   0.02) =   0.000%
        T HA    GLU-  15 - HB2   ASN   28  16.84 +/- 1.14   0.002% *  0.0744% (0.14   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   35  23.90 +/- 0.90   0.000% *  0.5226% (0.98   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   35  26.11 +/- 0.51   0.000% *  0.4922% (0.92   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   35  25.85 +/- 0.59   0.000% *  0.2595% (0.49   0.02   0.02) =   0.000%
          HA    ILE   56 - HB2   ASN   28  25.61 +/- 0.47   0.000% *  0.1531% (0.29   0.02   0.02) =   0.000%
          HA    LEU  123 - HB2   ASN   28  28.96 +/- 0.79   0.000% *  0.1626% (0.30   0.02   0.02) =   0.000%
          HA    PRO   58 - HB2   ASN   28  25.78 +/- 0.46   0.000% *  0.0807% (0.15   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   35  30.82 +/- 0.55   0.000% *  0.2192% (0.41   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB2   ASN   28  32.33 +/- 0.59   0.000% *  0.0682% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 5.56, residual support = 54.2:
      O   HN    ASN   35 - HB2   ASN   35   2.16 +/- 0.28  99.974% * 98.6001% (0.57   5.56  54.18) = 100.000%  kept
          HN    LYS+  99 - HB2   ASN   35  11.28 +/- 0.59   0.008% *  0.3549% (0.57   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   ASN   28  10.00 +/- 0.28   0.014% *  0.1104% (0.18   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   35  17.99 +/- 2.22   0.001% *  0.3051% (0.49   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   35  17.46 +/- 2.46   0.001% *  0.2138% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASN   28  17.52 +/- 0.67   0.001% *  0.1104% (0.18   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   35  20.05 +/- 4.38   0.000% *  0.1098% (0.18   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASN   28  17.96 +/- 2.69   0.001% *  0.0665% (0.11   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   ASN   28  20.65 +/- 4.74   0.001% *  0.0341% (0.05   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASN   28  22.32 +/- 1.91   0.000% *  0.0949% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.01 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   2.48 +/- 0.22  99.948% * 98.4647% (1.00   3.59  54.18) = 100.000%  kept
          HD21  ASN   35 - HB2   ASN   28   9.25 +/- 0.53   0.043% *  0.1706% (0.31   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   28  12.46 +/- 0.46   0.007% *  0.1304% (0.24   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   ASN   35  18.61 +/- 0.76   0.001% *  0.4191% (0.76   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   35  19.43 +/- 0.58   0.000% *  0.1525% (0.28   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   28  19.65 +/- 2.69   0.001% *  0.0425% (0.08   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB2   ASN   35  23.57 +/- 1.26   0.000% *  0.1367% (0.25   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   28  23.06 +/- 0.47   0.000% *  0.1035% (0.19   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   ASN   35  28.15 +/- 0.62   0.000% *  0.3326% (0.61   0.02   0.02) =   0.000%
          HN    LEU   67 - HB2   ASN   28  22.72 +/- 0.43   0.000% *  0.0474% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2509 (3.98, 2.95, 38.12 ppm):
    24 chemical-shift based assignments, quality = 0.991, support = 2.23, residual support = 6.86:
        T HA    GLN   32 - HB2   ASN   35   2.52 +/- 0.34  93.740% * 93.6130% (0.99   2.23   6.86) =  99.992%  kept
        T HA    GLU-  29 - HB2   ASN   28   4.29 +/- 0.22   4.738% *  0.0899% (0.11   0.02  30.42) =   0.005%
        T HA    LYS+  33 - HB2   ASN   35   5.34 +/- 0.22   1.212% *  0.1885% (0.22   0.02   0.79) =   0.003%
        T HA    GLN   32 - HB2   ASN   28   7.61 +/- 0.37   0.167% *  0.2611% (0.31   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB2   ASN   35   8.11 +/- 0.33   0.096% *  0.2889% (0.34   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   28  11.94 +/- 0.86   0.012% *  0.1181% (0.14   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB2   ASN   28  10.52 +/- 0.33   0.022% *  0.0586% (0.07   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   35  16.22 +/- 0.66   0.002% *  0.3178% (0.38   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   28  13.76 +/- 0.67   0.005% *  0.0989% (0.12   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   35  20.35 +/- 0.65   0.000% *  0.8301% (0.98   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   35  18.39 +/- 1.42   0.001% *  0.3178% (0.38   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   ASN   35  18.21 +/- 0.71   0.001% *  0.3178% (0.38   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   ASN   28  17.99 +/- 0.55   0.001% *  0.2582% (0.30   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   ASN   35  19.20 +/- 0.89   0.001% *  0.3797% (0.45   0.02   0.02) =   0.000%
          HA    VAL   18 - HB2   ASN   28  16.12 +/- 0.28   0.002% *  0.0989% (0.12   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   35  21.37 +/- 0.75   0.000% *  0.3797% (0.45   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   28  20.39 +/- 0.59   0.000% *  0.2200% (0.26   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   ASN   35  26.25 +/- 0.82   0.000% *  0.7074% (0.84   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   35  28.27 +/- 0.62   0.000% *  0.8301% (0.98   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   ASN   28  20.82 +/- 0.91   0.000% *  0.0989% (0.12   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   ASN   28  24.62 +/- 0.52   0.000% *  0.2582% (0.30   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HB2   ASN   28  23.47 +/- 0.58   0.000% *  0.1181% (0.14   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   35  25.79 +/- 0.54   0.000% *  0.1146% (0.14   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   ASN   28  29.95 +/- 0.47   0.000% *  0.0357% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 4.85, residual support = 45.7:
          QB    GLU-  36 - HB3   ASN   35   3.70 +/- 0.14  98.804% * 98.6069% (0.99   4.85  45.72) =  99.998%  kept
          HB2   LYS+  38 - HB3   ASN   35   8.13 +/- 0.26   0.907% *  0.0719% (0.18   0.02   0.02) =   0.001%
          HB3   GLU-  29 - HB3   ASN   35  10.87 +/- 0.42   0.165% *  0.3789% (0.92   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HB3   ASN   35  11.43 +/- 0.49   0.119% *  0.2324% (0.57   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB3   ASN   35  20.97 +/- 0.75   0.003% *  0.3962% (0.97   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB3   ASN   35  25.40 +/- 0.74   0.001% *  0.3137% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 0.745, support = 5.08, residual support = 41.0:
          QB    GLU-  36 - HB2   ASN   35   4.71 +/- 0.27  27.060% * 70.4607% (0.99   5.28  45.72) =  68.986%  kept
          HG3   GLU-  29 - HB2   ASN   28   4.09 +/- 0.51  61.825% * 11.1135% (0.18   4.69  30.42) =  24.860%  kept
          HB3   GLU-  29 - HB2   ASN   28   5.60 +/- 0.45   9.840% * 17.2698% (0.29   4.47  30.42) =   6.148%  kept
          HB3   GLU-  29 - HB2   ASN   35  10.11 +/- 0.30   0.250% *  0.2485% (0.92   0.02   0.02) =   0.002%
          HB2   LYS+  38 - HB2   ASN   35   8.69 +/- 0.25   0.612% *  0.0471% (0.18   0.02   0.02) =   0.001%
          HG3   GLU-  29 - HB2   ASN   35  10.69 +/- 0.57   0.185% *  0.1524% (0.57   0.02   0.02) =   0.001%
          QB    GLU-  36 - HB2   ASN   28  11.35 +/- 0.48   0.127% *  0.0830% (0.31   0.02   0.02) =   0.000%
        T HB3   GLU-  79 - HB2   ASN   28  12.29 +/- 0.89   0.082% *  0.0808% (0.30   0.02   0.02) =   0.000%
          HB3   GLU-  79 - HB2   ASN   35  19.53 +/- 0.86   0.005% *  0.2598% (0.97   0.02   0.02) =   0.000%
        T HB2   GLN   90 - HB2   ASN   28  19.47 +/- 1.43   0.005% *  0.0640% (0.24   0.02   0.02) =   0.000%
          HB2   GLN   90 - HB2   ASN   35  23.90 +/- 0.78   0.001% *  0.2057% (0.76   0.02   0.02) =   0.000%
          HB2   LYS+  38 - HB2   ASN   28  17.85 +/- 0.40   0.008% *  0.0147% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 1 structures by 0.03 A, kept.
 
    Peak 2512 (4.00, 2.86, 38.12 ppm):
    10 chemical-shift based assignments, quality = 0.509, support = 2.0, residual support = 6.54:
          HA    GLN   32 - HB3   ASN   35   3.05 +/- 0.27  95.735% * 41.7117% (0.49   2.04   6.86) =  94.843%  kept
          HA    LYS+  33 - HB3   ASN   35   5.24 +/- 0.25   4.068% * 53.3403% (0.92   1.37   0.79) =   5.153%  kept
          HA    GLU-  29 - HB3   ASN   35   8.80 +/- 0.38   0.175% *  0.8341% (0.99   0.02   0.02) =   0.003%
          HA    VAL   70 - HB3   ASN   35  12.97 +/- 0.48   0.018% *  0.5444% (0.65   0.02   0.02) =   0.000%
        T HA    VAL   18 - HB3   ASN   35  17.37 +/- 0.56   0.003% *  0.8397% (1.00   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   ASN   35  20.50 +/- 0.74   0.001% *  0.8397% (1.00   0.02   0.02) =   0.000%
          HA    ALA   88 - HB3   ASN   35  21.75 +/- 0.46   0.001% *  0.4428% (0.53   0.02   0.02) =   0.000%
          HA    SER   48 - HB3   ASN   35  27.75 +/- 0.64   0.000% *  0.6431% (0.76   0.02   0.02) =   0.000%
          HA    GLN  116 - HB3   ASN   35  28.27 +/- 0.56   0.000% *  0.5444% (0.65   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   ASN   35  29.81 +/- 0.43   0.000% *  0.2597% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.56 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   2.99 +/- 0.04  99.881% * 97.1954% (0.90   3.95  54.18) = 100.000%  kept
          HA    LYS+  99 - HB3   ASN   35  10.46 +/- 0.66   0.059% *  0.4195% (0.76   0.02   0.02) =   0.000%
          HA    LEU   40 - HB3   ASN   35  10.59 +/- 0.30   0.051% *  0.3551% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   ASN   35  15.91 +/- 1.49   0.005% *  0.2461% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   ASN   35  18.63 +/- 3.14   0.003% *  0.2461% (0.45   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   ASN   35  24.58 +/- 1.03   0.000% *  0.5381% (0.98   0.02   0.02) =   0.000%
          HA    ILE   56 - HB3   ASN   35  27.50 +/- 0.41   0.000% *  0.5067% (0.92   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   ASN   35  27.09 +/- 0.47   0.000% *  0.2672% (0.49   0.02   0.02) =   0.000%
          HA    ASP- 113 - HB3   ASN   35  32.06 +/- 0.50   0.000% *  0.2257% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.40 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   2.62 +/- 0.24  99.999% * 98.8497% (1.00   3.26  54.18) = 100.000%  kept
          HD2   HIS   22 - HB3   ASN   35  19.88 +/- 0.64   0.001% *  0.4631% (0.76   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   ASN   35  20.27 +/- 0.48   0.001% *  0.1685% (0.28   0.02   0.02) =   0.000%
          HE21  GLN   90 - HB3   ASN   35  25.03 +/- 1.26   0.000% *  0.1511% (0.25   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASN   35  29.70 +/- 0.46   0.000% *  0.3676% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.48 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   2.49 +/- 0.12  99.795% * 98.9717% (0.97   5.91  45.72) =  99.999%  kept
          HN    THR   39 - HB3   ASN   35   7.13 +/- 0.18   0.188% *  0.3112% (0.90   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HB3   ASN   35  11.95 +/- 1.37   0.010% *  0.2898% (0.84   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   ASN   35  15.48 +/- 0.41   0.002% *  0.3203% (0.92   0.02   0.02) =   0.000%
          HN    TRP   27 - HB3   ASN   35  13.38 +/- 0.35   0.004% *  0.1071% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.51 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   2.95 +/- 0.23  99.998% * 99.6792% (0.97   5.59  54.18) = 100.000%  kept
          HN    ALA   12 - HB3   ASN   35  20.13 +/- 4.44   0.002% *  0.3208% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2517 (6.53, 2.86, 38.12 ppm):
    1 chemical-shift based assignment, quality = 0.991, support = 3.26, residual support = 54.2:
      O   HD22  ASN   35 - HB3   ASN   35   3.67 +/- 0.11 100.000% *100.0000% (0.99   3.26  54.18) = 100.000%  kept
    Distance limit 4.07 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   3.24 +/- 0.19  98.784% * 98.9280% (0.92   6.05  45.72) =  99.998%  kept
          HN    THR   39 - HB2   ASN   35   7.04 +/- 0.20   0.974% *  0.1863% (0.53   0.02   0.02) =   0.002%
          HN    LYS+ 102 - HB2   ASN   35  11.36 +/- 1.45   0.077% *  0.3533% (1.00   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   ASN   28  11.46 +/- 0.41   0.054% *  0.1017% (0.29   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   28  10.70 +/- 0.58   0.081% *  0.0624% (0.18   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB2   ASN   35  13.99 +/- 0.64   0.017% *  0.2005% (0.57   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   ASN   28  15.10 +/- 0.29   0.010% *  0.0580% (0.16   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   ASN   28  18.05 +/- 1.41   0.004% *  0.1099% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 4.88, residual support = 83.6:
      O T HA    GLU-  36 - QB    GLU-  36   2.37 +/- 0.19  99.995% * 98.7416% (0.84   4.88  83.61) = 100.000%  kept
        T HA    GLU-  36 - HB3   GLU-  29  13.20 +/- 0.49   0.004% *  0.1255% (0.26   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   GLU-  29  17.67 +/- 0.84   0.001% *  0.1091% (0.22   0.02   0.02) =   0.000%
          HA    LYS+  66 - QB    GLU-  36  20.75 +/- 0.52   0.000% *  0.2551% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  81 - QB    GLU-  36  22.43 +/- 0.43   0.000% *  0.3521% (0.73   0.02   0.02) =   0.000%
          HA    ALA  124 - QB    GLU-  36  23.47 +/- 1.09   0.000% *  0.1497% (0.31   0.02   0.02) =   0.000%
          HA    LYS+  66 - HB3   GLU-  29  23.63 +/- 0.44   0.000% *  0.0790% (0.16   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    GLU-  36  28.90 +/- 0.62   0.000% *  0.1080% (0.22   0.02   0.02) =   0.000%
          HA    ARG+  54 - HB3   GLU-  29  26.25 +/- 0.88   0.000% *  0.0334% (0.07   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   GLU-  29  30.36 +/- 0.92   0.000% *  0.0464% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.07 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 = 19.5:
          HN    SER   37 - QB    GLU-  36   3.39 +/- 0.23  90.328% * 95.6905% (0.45   3.72  19.51) =  99.971%  kept
          HN    LYS+  33 - QB    GLU-  36   5.25 +/- 0.27   6.765% *  0.3195% (0.28   0.02   0.02) =   0.025%
          HN    LYS+  33 - HB3   GLU-  29   6.25 +/- 0.42   2.714% *  0.0990% (0.09   0.02   0.02) =   0.003%
          HN    CYS   21 - HB3   GLU-  29  10.43 +/- 0.72   0.124% *  0.3435% (0.30   0.02   0.02) =   0.000%
          HN    SER   37 - HB3   GLU-  29  11.80 +/- 0.52   0.057% *  0.1596% (0.14   0.02   0.02) =   0.000%
          HN    CYS   21 - QB    GLU-  36  16.86 +/- 0.34   0.006% *  1.1089% (0.97   0.02   0.02) =   0.000%
          HN    ILE   89 - QB    GLU-  36  21.37 +/- 0.33   0.002% *  0.7433% (0.65   0.02   0.02) =   0.000%
          HN    ILE  119 - QB    GLU-  36  24.09 +/- 0.41   0.001% *  0.9967% (0.87   0.02   0.02) =   0.000%
          HN    ILE   89 - HB3   GLU-  29  19.52 +/- 0.81   0.003% *  0.2303% (0.20   0.02   0.02) =   0.000%
          HN    ILE  119 - HB3   GLU-  29  26.89 +/- 0.39   0.000% *  0.3088% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2521 (7.77, 2.15, 30.04 ppm):
    10 chemical-shift based assignments, quality = 0.687, support = 7.41, residual support = 83.6:
      O   HN    GLU-  36 - QB    GLU-  36   2.11 +/- 0.08  99.881% * 99.0493% (0.69   7.41  83.61) = 100.000%  kept
          HN    THR   39 - QB    GLU-  36   6.60 +/- 0.24   0.108% *  0.1082% (0.28   0.02   0.13) =   0.000%
          HN    LYS+ 102 - QB    GLU-  36  13.37 +/- 1.15   0.002% *  0.3374% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB3   GLU-  29  10.61 +/- 0.44   0.007% *  0.0828% (0.21   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    GLU-  36  17.08 +/- 0.44   0.000% *  0.1201% (0.31   0.02   0.02) =   0.000%
          HN    THR   39 - HB3   GLU-  29  13.97 +/- 0.46   0.001% *  0.0335% (0.09   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB3   GLU-  29  14.55 +/- 0.81   0.001% *  0.0372% (0.10   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    GLU-  36  18.13 +/- 0.36   0.000% *  0.0970% (0.25   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB3   GLU-  29  19.77 +/- 1.41   0.000% *  0.1045% (0.27   0.02   0.02) =   0.000%
          HN    ASP- 105 - HB3   GLU-  29  22.05 +/- 0.39   0.000% *  0.0301% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 4.95, residual support = 83.6:
          HN    GLU-  36 - HG2   GLU-  36   3.23 +/- 0.44  99.982% * 98.4332% (0.28   4.95  83.61) = 100.000%  kept
          HN    LYS+ 102 - HG2   GLU-  36  14.82 +/- 1.28   0.016% *  0.6414% (0.45   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG2   GLU-  36  20.18 +/- 0.84   0.002% *  0.9254% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 4.95, residual support = 83.6:
          HN    GLU-  36 - HG3   GLU-  36   3.86 +/- 0.04  97.739% * 98.8364% (0.69   4.95  83.61) =  99.996%  kept
          HN    THR   39 - HG3   GLU-  36   7.91 +/- 1.23   2.153% *  0.1617% (0.28   0.02   0.13) =   0.004%
          HN    LYS+ 102 - HG3   GLU-  36  15.70 +/- 1.29   0.025% *  0.5043% (0.87   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    MET   11  16.98 +/- 4.51   0.047% *  0.0498% (0.09   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG3   GLU-  36  20.09 +/- 0.62   0.005% *  0.1794% (0.31   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   GLU-  36  21.04 +/- 0.84   0.004% *  0.1450% (0.25   0.02   0.02) =   0.000%
          HN    THR   39 - QB    MET   11  17.90 +/- 3.55   0.023% *  0.0201% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    MET   11  26.13 +/- 3.96   0.002% *  0.0628% (0.11   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    MET   11  25.80 +/- 3.81   0.002% *  0.0224% (0.04   0.02   0.02) =   0.000%
          HN    ASP- 105 - QB    MET   11  27.36 +/- 2.66   0.001% *  0.0181% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 5.57, residual support = 83.6:
      O   HN    GLU-  36 - HA    GLU-  36   2.83 +/- 0.02  99.987% * 98.6044% (0.28   5.57  83.61) = 100.000%  kept
          HN    LYS+ 102 - HA    GLU-  36  13.07 +/- 1.22   0.012% *  0.5713% (0.45   0.02   0.02) =   0.000%
          HN    ASP- 105 - HA    GLU-  36  19.00 +/- 0.51   0.001% *  0.8243% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 25.7:
      O   HN    SER   37 - HB2   SER   37   3.02 +/- 0.63  99.994% * 98.6665% (0.98   3.43  25.73) = 100.000%  kept
          HN    CYS   21 - HB2   SER   37  17.11 +/- 0.72   0.004% *  0.2415% (0.41   0.02   0.02) =   0.000%
          HN    ILE  119 - HB2   SER   37  22.27 +/- 0.66   0.001% *  0.5096% (0.87   0.02   0.02) =   0.000%
          HN    ILE   89 - HB2   SER   37  23.04 +/- 0.63   0.001% *  0.5823% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.496, support = 0.0194, residual support = 0.0194:
          HN    GLN   30 - HB3   SER   37  10.73 +/- 0.42  32.314% * 12.9780% (0.47   0.02   0.02) =  37.055%  kept
          HN    GLU-  29 - HB3   SER   37  12.98 +/- 0.45  10.282% * 22.4691% (0.82   0.02   0.02) =  20.414%  kept
          HN    GLN   30 - QB    SER   13  13.06 +/- 3.18  18.482% *  9.9312% (0.36   0.02   0.02) =  16.218%  kept
          HN    GLU-  29 - QB    SER   13  14.71 +/- 3.29   7.848% * 17.1942% (0.63   0.02   0.02) =  11.923%  kept
          HN    VAL   18 - QB    SER   13  11.22 +/- 0.85  26.698% *  4.8772% (0.18   0.02   0.02) =  11.505%  kept
          HN    VAL   18 - HB3   SER   37  15.47 +/- 0.57   3.742% *  6.3735% (0.23   0.02   0.02) =   2.107%
          HN    ASP-  86 - HB3   SER   37  21.80 +/- 0.70   0.462% * 14.8290% (0.54   0.02   0.02) =   0.605%
          HN    ASP-  86 - QB    SER   13  25.53 +/- 2.47   0.172% * 11.3477% (0.41   0.02   0.02) =   0.172%
    Distance limit 3.88 A violated in 20 structures by 4.97 A, eliminated.
    Peak unassigned.
 
    Peak 2527 (7.88, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 6.07, residual support = 209.7:
      O   HN    LYS+  38 - HA    LYS+  38   2.22 +/- 0.00  98.025% * 99.5703% (0.92   6.07 209.68) =  99.999%  kept
          HN    SER   37 - HA    LYS+  38   4.44 +/- 0.10   1.556% *  0.0886% (0.25   0.02   8.34) =   0.001%
          HN    LYS+  38 - HA    GLU- 100   6.21 +/- 1.02   0.359% *  0.0198% (0.06   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LYS+  38  11.15 +/- 0.28   0.006% *  0.0548% (0.15   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLU- 100   8.24 +/- 0.98   0.050% *  0.0054% (0.02   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    GLU- 100  12.76 +/- 0.97   0.003% *  0.0033% (0.01   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LYS+  38  21.98 +/- 0.31   0.000% *  0.0703% (0.20   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LYS+  38  29.81 +/- 0.36   0.000% *  0.1729% (0.49   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    GLU- 100  22.39 +/- 0.56   0.000% *  0.0042% (0.01   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    GLU- 100  29.53 +/- 0.52   0.000% *  0.0104% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2528 (7.75, 3.78, 58.04 ppm):
    10 chemical-shift based assignments, quality = 0.923, support = 5.36, residual support = 15.6:
      O   HN    THR   39 - HA    LYS+  38   3.01 +/- 0.01  90.393% * 98.6954% (0.92   5.36  15.59) =  99.989%  kept
          HN    GLU-  36 - HA    LYS+  38   5.70 +/- 0.08   1.989% *  0.3771% (0.95   0.02   0.63) =   0.008%
          HN    LYS+ 102 - HA    GLU- 100   4.93 +/- 0.54   5.631% *  0.0193% (0.05   0.02   0.02) =   0.001%
          HN    LYS+ 102 - HA    LYS+  38   8.54 +/- 1.24   0.243% *  0.3192% (0.80   0.02   0.02) =   0.001%
          HN    THR   39 - HA    GLU- 100   6.39 +/- 0.98   1.562% *  0.0222% (0.06   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    GLU- 100   8.89 +/- 1.01   0.171% *  0.0228% (0.06   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    LYS+  38  17.44 +/- 0.62   0.002% *  0.3771% (0.95   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    LYS+  38  17.11 +/- 0.30   0.003% *  0.1360% (0.34   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    GLU- 100  16.42 +/- 0.77   0.004% *  0.0228% (0.06   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    GLU- 100  18.36 +/- 0.99   0.002% *  0.0082% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 8.34:
          HN    SER   37 - HB2   LYS+  38   5.60 +/- 0.40  99.919% * 32.1378% (1.00   0.02   8.34) =  99.948%  kept
          HN    ILE  119 - HB2   LYS+  38  22.49 +/- 0.50   0.027% * 25.7912% (0.80   0.02   0.02) =   0.021%
          HN    ILE   89 - HB2   LYS+  38  23.78 +/- 0.67   0.020% * 31.0842% (0.97   0.02   0.02) =   0.019%
          HN    CYS   21 - HB2   LYS+  38  21.35 +/- 0.29   0.035% * 10.9869% (0.34   0.02   0.02) =   0.012%
    Distance limit 3.76 A violated in 20 structures by 1.84 A, eliminated.
    Peak unassigned.
 
    Peak 2530 (7.77, 2.18, 29.57 ppm):
    4 chemical-shift based assignments, quality = 0.472, support = 0.0195, residual support = 14.1:
          HN    THR   39 - HB2   LYS+  38   4.31 +/- 0.20  94.571% * 16.1113% (0.45   0.02  15.59) =  89.779%  kept
          HN    GLU-  36 - HB2   LYS+  38   7.21 +/- 0.25   4.339% * 31.1721% (0.87   0.02   0.63) =   7.970%  kept
          HN    LYS+ 102 - HB2   LYS+  38  10.12 +/- 1.50   1.080% * 35.2246% (0.98   0.02   0.02) =   2.241%
          HD1   TRP   87 - HB2   LYS+  38  20.15 +/- 0.69   0.010% * 17.4920% (0.49   0.02   0.02) =   0.010%
    Distance limit 3.38 A violated in 20 structures by 0.90 A, eliminated.
    Peak unassigned.
 
    Peak 2531 (7.89, 1.32, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.85, residual support = 209.7:
          HN    LYS+  38 - HG2   LYS+  38   2.58 +/- 0.13  96.191% * 99.4003% (0.80   5.85 209.68) =  99.994%  kept
          HN    SER   37 - HG2   LYS+  38   4.47 +/- 0.04   3.645% *  0.1593% (0.38   0.02   8.34) =   0.006%
          HN    LYS+  38 - HG2   LYS+  99   8.02 +/- 0.79   0.129% *  0.0926% (0.22   0.02   0.02) =   0.000%
          HN    SER   37 - HG2   LYS+  99   9.84 +/- 0.77   0.035% *  0.0434% (0.10   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  38  23.20 +/- 0.81   0.000% *  0.0945% (0.22   0.02   0.02) =   0.000%
          HN    ILE   89 - HG2   LYS+  99  19.86 +/- 0.40   0.000% *  0.0257% (0.06   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  38  32.25 +/- 0.43   0.000% *  0.1448% (0.34   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   LYS+  99  27.20 +/- 0.49   0.000% *  0.0395% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2532 (7.89, 1.26, 25.69 ppm):
    8 chemical-shift based assignments, quality = 0.801, support = 5.63, residual support = 209.7:
          HN    LYS+  38 - HG3   LYS+  38   3.15 +/- 0.20  93.479% * 99.5056% (0.80   5.63 209.68) =  99.989%  kept
          HN    SER   37 - HG3   LYS+  38   4.99 +/- 0.40   6.125% *  0.1656% (0.38   0.02   8.34) =   0.011%
          HN    LYS+  38 - HG3   LYS+  99   8.66 +/- 0.92   0.302% *  0.0369% (0.08   0.02   0.02) =   0.000%
          HN    SER   37 - HG3   LYS+  99  10.53 +/- 0.95   0.091% *  0.0173% (0.04   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  38  23.64 +/- 1.03   0.001% *  0.0982% (0.22   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  20.05 +/- 0.52   0.002% *  0.0102% (0.02   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  38  32.57 +/- 0.65   0.000% *  0.1505% (0.34   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   LYS+  99  27.47 +/- 0.76   0.000% *  0.0157% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2533 (7.75, 4.27, 62.55 ppm):
    12 chemical-shift based assignments, quality = 0.952, support = 3.3, residual support = 33.8:
      O   HN    THR   39 - HA    THR   39   2.92 +/- 0.01  95.040% * 76.6760% (0.97   3.34  34.24) =  98.648%  kept
          HN    LYS+ 102 - HA    ILE  103   4.84 +/- 0.14   4.687% * 21.2813% (0.24   3.73  22.69) =   1.350%
          HN    GLU-  36 - HA    THR   39   8.70 +/- 0.09   0.137% *  0.4266% (0.90   0.02   0.13) =   0.001%
          HN    LYS+ 102 - HA    THR   39   9.68 +/- 1.11   0.090% *  0.3454% (0.73   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE  103  12.34 +/- 0.35   0.017% *  0.1517% (0.32   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  12.37 +/- 0.26   0.017% *  0.1540% (0.32   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  18.55 +/- 0.46   0.001% *  0.4663% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  15.35 +/- 0.39   0.005% *  0.1409% (0.30   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  18.04 +/- 0.33   0.002% *  0.1956% (0.41   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  18.25 +/- 0.40   0.002% *  0.0646% (0.14   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  17.02 +/- 0.65   0.003% *  0.0242% (0.05   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  25.47 +/- 0.49   0.000% *  0.0734% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2534 (8.87, 4.27, 62.55 ppm):
    4 chemical-shift based assignments, quality = 0.566, support = 4.12, residual support = 24.2:
      O   HN    LEU   40 - HA    THR   39   2.32 +/- 0.01  99.646% * 99.1541% (0.57   4.12  24.24) =  99.999%  kept
          HN    GLY  101 - HA    ILE  103   6.20 +/- 0.18   0.276% *  0.1705% (0.20   0.02   0.02) =   0.000%
          HN    GLY  101 - HA    THR   39   8.15 +/- 0.91   0.065% *  0.5162% (0.61   0.02   0.02) =   0.000%
          HN    LEU   40 - HA    ILE  103  10.36 +/- 0.35   0.013% *  0.1592% (0.19   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2535 (7.75, 3.86, 70.88 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 3.33, residual support = 34.2:
      O   HN    THR   39 - HB    THR   39   2.58 +/- 0.08  99.801% * 98.0687% (0.97   3.33  34.24) =  99.999%  kept
          HN    GLU-  36 - HB    THR   39   7.43 +/- 0.14   0.178% *  0.5466% (0.90   0.02   0.13) =   0.001%
          HN    LYS+ 102 - HB    THR   39  11.32 +/- 1.20   0.017% *  0.4426% (0.73   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    THR   39  17.45 +/- 0.43   0.001% *  0.5975% (0.98   0.02   0.02) =   0.000%
          HN    TRP   27 - HB    THR   39  15.62 +/- 0.41   0.002% *  0.2506% (0.41   0.02   0.02) =   0.000%
          HN    ALA   91 - HB    THR   39  24.65 +/- 0.49   0.000% *  0.0940% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2536 (8.88, 3.86, 70.88 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.98, residual support = 24.2:
          HN    LEU   40 - HB    THR   39   3.78 +/- 0.07  99.511% * 99.9104% (0.98   3.98  24.24) = 100.000%  kept
          HN    GLY  101 - HB    THR   39   9.48 +/- 0.95   0.489% *  0.0896% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2539 (8.16, 1.26, 21.81 ppm):
    15 chemical-shift based assignments, quality = 0.596, support = 0.02, residual support = 0.02:
          HN    LEU   71 - QG2   THR   39   2.99 +/- 0.28  99.901% *  9.9077% (0.60   0.02   0.02) =  99.944%  kept
          HN    GLU- 114 - QB    ALA   91  12.59 +/- 1.44   0.038% *  6.6763% (0.40   0.02   0.02) =   0.026%
          HN    GLN  116 - QB    ALA   91  14.80 +/- 1.46   0.012% *  5.6891% (0.34   0.02   0.02) =   0.007%
          HN    PHE   60 - QG2   THR   39  14.37 +/- 0.39   0.009% *  4.9200% (0.30   0.02   0.02) =   0.004%
          HN    THR  118 - QG2   THR   39  15.97 +/- 0.39   0.005% *  8.1660% (0.49   0.02   0.02) =   0.004%
          HN    THR  118 - QB    ALA   91  15.21 +/- 1.45   0.010% *  3.8562% (0.23   0.02   0.02) =   0.004%
          HN    PHE   60 - QB    ALA   91  13.99 +/- 1.04   0.014% *  2.3233% (0.14   0.02   0.02) =   0.003%
          HN    GLN  116 - QG2   THR   39  18.10 +/- 0.44   0.002% * 12.0477% (0.72   0.02   0.02) =   0.003%
          HN    GLU- 114 - QG2   THR   39  20.01 +/- 0.39   0.001% * 14.1381% (0.85   0.02   0.02) =   0.002%
          HN    LEU   71 - QG2   THR   23  17.66 +/- 0.26   0.003% *  5.5597% (0.33   0.02   0.02) =   0.001%
          HN    LEU   71 - QB    ALA   91  20.25 +/- 0.86   0.001% *  4.6786% (0.28   0.02   0.02) =   0.001%
          HN    PHE   60 - QG2   THR   23  18.36 +/- 0.29   0.002% *  2.7609% (0.17   0.02   0.02) =   0.001%
          HN    GLU- 114 - QG2   THR   23  25.02 +/- 0.33   0.000% *  7.9335% (0.48   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   THR   23  24.97 +/- 0.34   0.000% *  6.7605% (0.41   0.02   0.02) =   0.000%
          HN    THR  118 - QG2   THR   23  24.70 +/- 0.29   0.000% *  4.5823% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2540 (8.89, 1.26, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.663, support = 3.75, residual support = 24.2:
          HN    LEU   40 - QG2   THR   39   2.23 +/- 0.14 100.000% * 99.4512% (0.66   3.75  24.24) = 100.000%  kept
          HN    LEU   40 - QG2   THR   23  20.39 +/- 0.25   0.000% *  0.2980% (0.37   0.02   0.02) =   0.000%
          HN    LEU   40 - QB    ALA   91  21.63 +/- 0.91   0.000% *  0.2508% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.596, support = 3.09, residual support = 13.4:
      O   HN    ALA   91 - QB    ALA   91   2.37 +/- 0.14  93.111% * 56.6656% (0.61   3.08  12.43) =  95.472%  kept
          HN    THR   39 - QG2   THR   39   3.75 +/- 0.02   6.310% * 39.6510% (0.38   3.45  34.24) =   4.528%  kept
          HN    TRP   27 - QG2   THR   23   5.86 +/- 0.18   0.453% *  0.0590% (0.10   0.02   2.03) =   0.000%
          HN    GLU-  36 - QG2   THR   39   8.14 +/- 0.11   0.060% *  0.1077% (0.18   0.02   0.13) =   0.000%
          HD1   TRP   87 - QB    ALA   91  10.95 +/- 0.61   0.010% *  0.4643% (0.76   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   91  11.13 +/- 0.92   0.010% *  0.1515% (0.25   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   39   9.91 +/- 0.91   0.021% *  0.0639% (0.11   0.02   0.02) =   0.000%
          HN    TRP   27 - QG2   THR   39  14.66 +/- 0.42   0.002% *  0.2648% (0.44   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   23  11.12 +/- 0.34   0.009% *  0.0488% (0.08   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   91  16.93 +/- 0.32   0.001% *  0.5608% (0.92   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA   91  15.67 +/- 0.97   0.001% *  0.3196% (0.53   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   39  14.15 +/- 0.39   0.002% *  0.1509% (0.25   0.02   0.02) =   0.000%
          HD1   TRP   87 - QG2   THR   39  15.88 +/- 0.31   0.001% *  0.2192% (0.36   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   39  14.14 +/- 0.47   0.002% *  0.0715% (0.12   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   91  22.99 +/- 0.76   0.000% *  0.4865% (0.80   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   23  15.51 +/- 0.79   0.001% *  0.0387% (0.06   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QB    ALA   91  19.45 +/- 1.11   0.000% *  0.1353% (0.22   0.02   0.02) =   0.000%
          HN    ALA   91 - QG2   THR   39  21.24 +/- 0.49   0.000% *  0.1740% (0.29   0.02   0.02) =   0.000%
          HE3   TRP   87 - QG2   THR   23  14.96 +/- 0.37   0.002% *  0.0159% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    ALA   91  23.97 +/- 0.56   0.000% *  0.2280% (0.38   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   THR   23  19.13 +/- 0.16   0.000% *  0.0511% (0.08   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   THR   23  17.10 +/- 0.16   0.001% *  0.0240% (0.04   0.02   0.02) =   0.000%
          HN    ALA   61 - QG2   THR   23  18.14 +/- 0.28   0.000% *  0.0336% (0.06   0.02   0.02) =   0.000%
          HN    LYS+ 102 - QG2   THR   23  21.31 +/- 1.03   0.000% *  0.0142% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2542 (8.47, 1.25, 21.56 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 3.03, residual support = 8.96:
          HN    MET   92 - QB    ALA   91   3.03 +/- 0.31  99.586% * 96.4921% (0.87   3.03   8.96) =  99.998%  kept
          HN    THR   46 - QB    ALA   91   9.00 +/- 0.25   0.158% *  0.7189% (0.98   0.02   0.02) =   0.001%
          HN    LYS+ 112 - QB    ALA   91  12.22 +/- 1.40   0.041% *  0.2502% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  74 - QG2   THR   39  12.06 +/- 0.32   0.030% *  0.3004% (0.41   0.02   0.02) =   0.000%
          HN    LYS+  74 - QG2   THR   23  10.06 +/- 0.17   0.088% *  0.0669% (0.09   0.02   0.02) =   0.000%
          HN    LYS+  74 - QB    ALA   91  14.92 +/- 0.25   0.008% *  0.6362% (0.87   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   23  10.97 +/- 0.28   0.051% *  0.0756% (0.10   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   39  16.42 +/- 2.68   0.007% *  0.1822% (0.25   0.02   0.02) =   0.000%
          HN    THR   46 - QG2   THR   39  17.10 +/- 0.23   0.004% *  0.3395% (0.46   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   23  19.47 +/- 3.81   0.021% *  0.0406% (0.06   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   23  16.23 +/- 0.39   0.005% *  0.0669% (0.09   0.02   0.02) =   0.000%
          HN    MET   92 - QG2   THR   39  22.52 +/- 0.22   0.001% *  0.3004% (0.41   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   39  21.37 +/- 0.41   0.001% *  0.1181% (0.16   0.02   0.02) =   0.000%
          HN    MET   11 - QB    ALA   91  31.42 +/- 2.83   0.000% *  0.3859% (0.53   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   23  24.32 +/- 0.34   0.000% *  0.0263% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2543 (4.39, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.643, support = 5.44, residual support = 87.4:
          HA    LEU   40 - QD2   LEU   40   2.38 +/- 0.36  70.817% * 63.1051% (0.61   6.10 104.57) =  81.283%  kept
          HA    LYS+  99 - QD2   LEU   40   2.86 +/- 0.33  29.126% * 35.3318% (0.80   2.59  12.71) =  18.717%  kept
          HA    ASN   35 - QD2   LEU   40   8.56 +/- 0.44   0.033% *  0.3151% (0.92   0.02   0.02) =   0.000%
          HA    LEU  123 - QD2   LEU   40  10.37 +/- 0.77   0.015% *  0.3383% (0.99   0.02   0.02) =   0.000%
          HA    GLU-  15 - QD2   LEU   40  12.37 +/- 1.10   0.004% *  0.1403% (0.41   0.02   0.02) =   0.000%
          HA    ILE   56 - QD2   LEU   40  14.33 +/- 0.26   0.002% *  0.3229% (0.95   0.02   0.02) =   0.000%
          HA    PRO   58 - QD2   LEU   40  14.59 +/- 0.35   0.002% *  0.1530% (0.45   0.02   0.02) =   0.000%
          HA    ASP- 113 - QD2   LEU   40  16.27 +/- 0.49   0.001% *  0.1530% (0.45   0.02   0.02) =   0.000%
          HA    SER   13 - QD2   LEU   40  17.40 +/- 1.44   0.001% *  0.1403% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 4.55, residual support = 104.5:
          HA    LEU   40 - QD1   LEU   40   3.95 +/- 0.10  82.157% * 97.5966% (0.99   4.56 104.57) =  99.967%  kept
          HA    LYS+  99 - QD1   LEU   40   5.26 +/- 0.28  15.683% *  0.1334% (0.31   0.02  12.71) =   0.026%
          HA    LEU  123 - QD1   LEU   40   8.28 +/- 0.69   1.137% *  0.2622% (0.61   0.02   0.02) =   0.004%
          HA    GLU-  15 - QD1   LEU   40  11.36 +/- 0.94   0.167% *  0.3877% (0.90   0.02   0.02) =   0.001%
          HA    ASN   35 - QD1   LEU   40  10.27 +/- 0.25   0.273% *  0.1938% (0.45   0.02   0.02) =   0.001%
          HA    GLN   17 - QD1   LEU   40  10.61 +/- 0.53   0.234% *  0.1334% (0.31   0.02   0.02) =   0.000%
          HA    SER   37 - QD1   LEU   40  10.87 +/- 0.15   0.192% *  0.1334% (0.31   0.02   0.02) =   0.000%
          HA    PRO   58 - QD1   LEU   40  13.16 +/- 0.37   0.062% *  0.3991% (0.92   0.02   0.02) =   0.000%
          HA    ILE   56 - QD1   LEU   40  13.54 +/- 0.34   0.052% *  0.2104% (0.49   0.02   0.02) =   0.000%
          HA    SER   13 - QD1   LEU   40  16.56 +/- 1.17   0.017% *  0.3877% (0.90   0.02   0.02) =   0.000%
          HA    THR   46 - QD1   LEU   40  15.07 +/- 0.26   0.027% *  0.1622% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.19 A, kept.
 
    Peak 2545 (2.77, 0.91, 26.66 ppm):
    5 chemical-shift based assignments, quality = 0.661, support = 0.0199, residual support = 0.0199:
        T HB3   HIS  122 - QD1   LEU   40   5.22 +/- 0.89  86.217% * 30.4714% (0.69   0.02   0.02) =  92.983%  kept
          QE    LYS+ 121 - QD1   LEU   40   8.08 +/- 1.05  12.277% * 15.1316% (0.34   0.02   0.02) =   6.575%  kept
          QE    LYS+  74 - QD1   LEU   40  11.20 +/- 0.88   1.336% *  7.7688% (0.18   0.02   0.02) =   0.367%
          HB3   ASP-  78 - QD1   LEU   40  20.57 +/- 0.36   0.029% * 39.7836% (0.90   0.02   0.02) =   0.041%
          QB    CYS   50 - QD1   LEU   40  15.82 +/- 0.30   0.140% *  6.8446% (0.15   0.02   0.02) =   0.034%
    Distance limit 3.77 A violated in 18 structures by 1.33 A, eliminated.
    Peak unassigned.
 
    Peak 2546 (7.18, 0.91, 26.66 ppm):
    4 chemical-shift based assignments, quality = 0.863, support = 0.0199, residual support = 0.0199:
          QD    PHE   59 - QD1   LEU   40   8.52 +/- 0.38  80.251% * 23.0961% (0.84   0.02   0.02) =  77.739%  kept
          HE21  GLN   30 - QD1   LEU   40  11.31 +/- 0.81  16.163% * 27.6510% (1.00   0.02   0.02) =  18.745%  kept
          HD1   TRP   27 - QD1   LEU   40  14.55 +/- 0.33   3.260% * 23.0961% (0.84   0.02   0.02) =   3.158%  kept
          HH2   TRP   49 - QD1   LEU   40  21.38 +/- 0.43   0.327% * 26.1568% (0.95   0.02   0.02) =   0.358%
    Distance limit 3.80 A violated in 20 structures by 4.41 A, eliminated.
    Peak unassigned.
 
    Peak 2547 (7.18, 0.98, 24.07 ppm):
    4 chemical-shift based assignments, quality = 0.886, support = 0.0199, residual support = 0.0199:
          QD    PHE   59 - QD2   LEU   40   9.31 +/- 0.32  61.760% * 23.0961% (0.84   0.02   0.02) =  58.357%  kept
          HE21  GLN   30 - QD2   LEU   40  10.69 +/- 1.01  29.281% * 27.6510% (1.00   0.02   0.02) =  33.124%  kept
          HD1   TRP   27 - QD2   LEU   40  12.94 +/- 0.64   8.524% * 23.0961% (0.84   0.02   0.02) =   8.055%  kept
          HH2   TRP   49 - QD2   LEU   40  21.28 +/- 0.41   0.434% * 26.1568% (0.95   0.02   0.02) =   0.465%
    Distance limit 3.61 A violated in 20 structures by 4.95 A, eliminated.
    Peak unassigned.
 
    Peak 2548 (9.01, 0.98, 24.07 ppm):
    1 chemical-shift based assignment, quality = 0.726, support = 4.57, residual support = 17.8:
          HN    VAL   41 - QD2   LEU   40   2.47 +/- 0.58 100.000% *100.0000% (0.73   4.57  17.85) = 100.000%  kept
    Distance limit 3.13 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 = 4.2, residual support = 9.38:
          HN    LEU   98 - QD2   LEU   40   2.52 +/- 0.25 100.000% *100.0000% (0.97   4.20   9.38) = 100.000%  kept
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2550 (8.88, 1.48, 42.31 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 4.69, residual support = 104.6:
      O   HN    LEU   40 - HB3   LEU   40   2.63 +/- 0.20  99.725% * 99.8649% (0.98   4.69 104.57) = 100.000%  kept
          HN    GLY  101 - HB3   LEU   40   7.97 +/- 1.34   0.273% *  0.0761% (0.18   0.02   0.02) =   0.000%
          HN    LEU   40 - HB3   LEU  115  18.03 +/- 0.63   0.001% *  0.0500% (0.12   0.02   0.02) =   0.000%
          HN    GLY  101 - HB3   LEU  115  20.01 +/- 0.60   0.001% *  0.0089% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.46 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2551 (8.89, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 5.06, residual support = 104.6:
      O   HN    LEU   40 - HB2   LEU   40   2.28 +/- 0.19  99.969% * 99.9636% (0.76   5.06 104.57) = 100.000%  kept
          HN    LEU   40 - HB2   LEU   67   9.04 +/- 0.77   0.031% *  0.0364% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2552 (0.17, 1.94, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 3.99, residual support = 32.8:
          QG2   VAL   70 - HB2   LEU   40   2.74 +/- 0.55  89.031% * 99.9538% (0.80   3.99  32.81) =  99.994%  kept
          QG2   VAL   70 - HB2   LEU   67   4.36 +/- 0.84  10.969% *  0.0462% (0.07   0.02   0.10) =   0.006%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2553 (0.18, 1.48, 42.31 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 3.99, residual support = 32.8:
        T QG2   VAL   70 - HB3   LEU   40   2.66 +/- 0.82  99.957% * 99.9412% (0.98   3.99  32.81) = 100.000%  kept
        T QG2   VAL   70 - HB3   LEU  115  11.66 +/- 0.67   0.043% *  0.0588% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.215, support = 5.04, residual support = 98.2:
      O T HA    LEU   40 - HG    LEU   40   3.05 +/- 0.11  77.989% * 43.3503% (0.18   5.34 104.57) =  93.478%  kept
          HA    LYS+  99 - HG    LEU   40   4.72 +/- 0.37   6.288% * 21.3349% (0.98   0.47  12.71) =   3.709%  kept
          HA    ASP- 113 - HG    LEU  115   5.62 +/- 1.06   3.418% * 28.7804% (0.53   1.16   0.02) =   2.720%  kept
          HA    ILE   56 - HG    LEU  115   5.43 +/- 0.69   3.883% *  0.4658% (0.50   0.02   0.02) =   0.050%
          HA    PHE   59 - HG    LEU  115   5.21 +/- 0.96   8.075% *  0.1832% (0.20   0.02  19.98) =   0.041%
        T HA    ASN   35 - HG    LEU   40  10.44 +/- 0.43   0.051% *  0.8318% (0.90   0.02   0.02) =   0.001%
          HA    LEU  123 - HG    LEU   40  12.04 +/- 0.90   0.023% *  0.7088% (0.76   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU   73  10.46 +/- 0.48   0.049% *  0.1695% (0.18   0.02   0.02) =   0.000%
          HA    ASN   35 - HG    LEU   73  10.35 +/- 0.33   0.053% *  0.1551% (0.17   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU  115  13.09 +/- 0.59   0.013% *  0.4104% (0.44   0.02   0.02) =   0.000%
          HA    LEU   40 - HG    LEU   73   8.85 +/- 0.35   0.132% *  0.0303% (0.03   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   40  14.02 +/- 0.82   0.009% *  0.3164% (0.34   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   40  17.27 +/- 0.77   0.003% *  0.8045% (0.87   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   40  20.01 +/- 0.49   0.001% *  0.8562% (0.92   0.02   0.02) =   0.000%
          HA    LYS+  99 - HG    LEU  115  19.76 +/- 0.80   0.001% *  0.5263% (0.57   0.02   0.02) =   0.000%
          HA    ILE   56 - HG    LEU   73  16.66 +/- 0.23   0.003% *  0.1500% (0.16   0.02   0.02) =   0.000%
          HA    PHE   59 - HG    LEU   73  15.11 +/- 0.37   0.005% *  0.0590% (0.06   0.02   0.02) =   0.000%
          HA    LEU  123 - HG    LEU   73  18.53 +/- 0.76   0.002% *  0.1321% (0.14   0.02   0.02) =   0.000%
        T HA    LEU   40 - HG    LEU  115  18.80 +/- 0.94   0.001% *  0.0940% (0.10   0.02   0.02) =   0.000%
        T HA    ASN   35 - HG    LEU  115  25.53 +/- 1.01   0.000% *  0.4816% (0.52   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG    LEU   73  23.18 +/- 0.57   0.000% *  0.1596% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 3.99, residual support = 32.8:
        T QG2   VAL   70 - HG    LEU   40   2.56 +/- 0.83  98.663% * 99.6176% (0.98   3.99  32.81) =  99.999%  kept
        T QG2   VAL   70 - HG    LEU   73   6.30 +/- 0.22   1.319% *  0.0931% (0.18   0.02   0.02) =   0.001%
        T QG2   VAL   70 - HG    LEU  115  13.07 +/- 0.92   0.017% *  0.2892% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 1 structures by 0.09 A, kept.
 
    Peak 2557 (0.17, 0.91, 26.66 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 3.47, residual support = 32.8:
          QG2   VAL   70 - QD1   LEU   40   1.74 +/- 0.05 100.000% *100.0000% (0.80   3.47  32.81) = 100.000%  kept
    Distance limit 2.91 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 = 32.8:
          QG2   VAL   70 - QD2   LEU   40   3.08 +/- 0.32 100.000% *100.0000% (0.53   4.49  32.81) = 100.000%  kept
    Distance limit 3.22 A violated in 0 structures by 0.05 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   9.68 +/- 0.50 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.61 A violated in 20 structures by 7.07 A, eliminated.
    Peak unassigned.
 
    Peak 2560 (1.47, 0.98, 24.07 ppm):
    9 chemical-shift based assignments, quality = 0.76, support = 4.76, residual support = 104.6:
      O T HG    LEU   40 - QD2   LEU   40   2.10 +/- 0.02  68.315% * 35.3527% (0.65   4.20 104.57) =  54.638%  kept
      O   HB3   LEU   40 - QD2   LEU   40   2.51 +/- 0.43  31.544% * 63.5637% (0.90   5.44 104.57) =  45.361%  kept
          HG    LEU   67 - QD2   LEU   40   7.57 +/- 1.65   0.070% *  0.1990% (0.76   0.02   0.02) =   0.000%
        T HG    LEU   73 - QD2   LEU   40   7.65 +/- 0.60   0.038% *  0.0515% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD2   LEU   40   8.35 +/- 0.95   0.022% *  0.0724% (0.28   0.02   0.02) =   0.000%
          QB    ALA  120 - QD2   LEU   40  10.37 +/- 0.42   0.005% *  0.2599% (1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD2   LEU   40  11.67 +/- 0.52   0.002% *  0.1685% (0.65   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD2   LEU   40  13.29 +/- 0.77   0.001% *  0.2599% (1.00   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD2   LEU   40  12.30 +/- 0.74   0.002% *  0.0724% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.60 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 = 0.246, support = 2.07, residual support = 12.7:
        T HB3   LYS+  99 - QD2   LEU   40   2.50 +/- 0.71  68.105% * 37.4440% (0.22   1.85  12.71) =  57.205%  kept
        T HB2   LYS+  99 - QD2   LEU   40   3.07 +/- 0.70  31.833% * 59.9278% (0.28   2.37  12.71) =  42.794%  kept
          HB    VAL   43 - QD2   LEU   40   7.43 +/- 0.25   0.056% *  0.6827% (0.38   0.02   0.02) =   0.001%
          HB    ILE   89 - QD2   LEU   40  13.56 +/- 0.40   0.001% *  1.1034% (0.61   0.02   0.02) =   0.000%
          QG1   ILE   56 - QD2   LEU   40  11.51 +/- 0.33   0.004% *  0.2807% (0.15   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU   40  18.50 +/- 0.47   0.000% *  0.5615% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.05 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   6.44 +/- 0.86  85.224% * 19.5836% (0.31   0.02   0.02) =  90.090%  kept
          HA    LEU   63 - QD2   LEU   40   8.95 +/- 0.35  13.978% * 11.1120% (0.18   0.02   0.02) =   8.384%  kept
          HA    LYS+ 112 - QD2   LEU   40  14.90 +/- 0.37   0.633% * 35.9222% (0.57   0.02   0.02) =   1.228%
          HB2   HIS   22 - QD2   LEU   40  19.00 +/- 0.66   0.165% * 33.3822% (0.53   0.02   0.02) =   0.298%
    Distance limit 3.58 A violated in 20 structures by 2.69 A, eliminated.
    Peak unassigned.
 
    Peak 2563 (3.02, 0.98, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.687, support = 3.98, residual support = 12.7:
          QE    LYS+  99 - QD2   LEU   40   3.49 +/- 0.38  99.286% * 98.6137% (0.69   3.98  12.71) =  99.995%  kept
          QE    LYS+ 102 - QD2   LEU   40   8.59 +/- 0.46   0.522% *  0.7209% (1.00   0.02   0.02) =   0.004%
          QE    LYS+  38 - QD2   LEU   40  10.20 +/- 0.37   0.192% *  0.6654% (0.92   0.02   0.02) =   0.001%
    Distance limit 3.99 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 = 1.12, residual support = 1.24:
        T HB3   PHE   97 - QD2   LEU   40   3.01 +/- 0.39  99.107% * 93.3842% (0.84   1.12   1.24) =  99.981%  kept
          HB2   GLU- 100 - QD2   LEU   40   7.03 +/- 0.30   0.841% *  1.9868% (0.99   0.02   0.02) =   0.018%
          QG    GLN   32 - QD2   LEU   40  12.17 +/- 0.59   0.033% *  0.6838% (0.34   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD2   LEU   40  14.74 +/- 0.44   0.009% *  1.8962% (0.95   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD2   LEU   40  16.61 +/- 0.74   0.005% *  1.2967% (0.65   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD2   LEU   40  16.04 +/- 0.35   0.005% *  0.7523% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 104.6:
      O T HB2   LEU   40 - QD1   LEU   40   2.35 +/- 0.34  98.957% * 98.5824% (0.84   4.44 104.57) =  99.998%  kept
        T HB2   LEU   67 - QD1   LEU   40   5.49 +/- 1.09   0.982% *  0.2185% (0.41   0.02   0.02) =   0.002%
          HB3   MET   96 - QD1   LEU   40   9.19 +/- 0.29   0.041% *  0.2383% (0.45   0.02   0.02) =   0.000%
          HB    VAL   18 - QD1   LEU   40  10.94 +/- 1.24   0.017% *  0.3651% (0.69   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD1   LEU   40  14.74 +/- 1.32   0.003% *  0.1052% (0.20   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD1   LEU   40  19.45 +/- 0.29   0.000% *  0.4906% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2566 (1.96, 0.98, 24.07 ppm):
    6 chemical-shift based assignments, quality = 0.341, support = 5.44, residual support = 104.6:
      O   HB2   LEU   40 - QD2   LEU   40   2.97 +/- 0.35  99.370% * 96.0608% (0.34   5.44 104.57) =  99.994%  kept
        T HB2   LEU   67 - QD2   LEU   40   7.65 +/- 1.11   0.561% *  0.9281% (0.90   0.02   0.02) =   0.005%
          HB    VAL   18 - QD2   LEU   40  11.92 +/- 1.45   0.045% *  1.0349% (1.00   0.02   0.02) =   0.000%
          HB2   LEU  115 - QD2   LEU   40  12.85 +/- 0.45   0.019% *  0.5445% (0.53   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD2   LEU   40  16.67 +/- 0.33   0.004% *  0.5037% (0.49   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD2   LEU   40  20.10 +/- 0.37   0.001% *  0.9281% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 0.753, support = 4.42, residual support = 104.6:
      O   HG    LEU   40 - QD1   LEU   40   2.10 +/- 0.01  64.484% * 41.2749% (0.65   4.41 104.57) =  57.447%  kept
      O T HB3   LEU   40 - QD1   LEU   40   2.40 +/- 0.33  34.270% * 57.5204% (0.90   4.43 104.57) =  42.547%  kept
        T HG    LEU   67 - QD1   LEU   40   5.28 +/- 1.75   1.208% *  0.2213% (0.76   0.02   0.02) =   0.006%
          QB    ALA  120 - QD1   LEU   40   9.24 +/- 0.34   0.009% *  0.2889% (1.00   0.02   0.02) =   0.000%
          HG    LEU   73 - QD1   LEU   40   8.26 +/- 0.25   0.018% *  0.0573% (0.20   0.02   0.02) =   0.000%
        T HB3   LEU  115 - QD1   LEU   40  11.01 +/- 0.55   0.003% *  0.1873% (0.65   0.02   0.02) =   0.000%
          HG    LEU  115 - QD1   LEU   40  12.38 +/- 0.83   0.002% *  0.2889% (1.00   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   40  10.47 +/- 0.86   0.005% *  0.0805% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+  74 - QD1   LEU   40  12.18 +/- 0.60   0.002% *  0.0805% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2568 (0.91, 1.94, 42.31 ppm):
    6 chemical-shift based assignments, quality = 0.977, support = 4.44, residual support = 103.5:
      O T QD1   LEU   40 - HB2   LEU   40   2.35 +/- 0.34  74.807% * 92.1126% (1.00   4.44 104.57) =  97.492%  kept
      O   QD2   LEU   67 - HB2   LEU   67   2.94 +/- 0.30  24.239% *  7.3072% (0.08   4.26  61.10) =   2.506%  kept
          QD2   LEU   67 - HB2   LEU   40   6.84 +/- 1.31   0.223% *  0.3720% (0.90   0.02   0.02) =   0.001%
        T QD1   LEU   40 - HB2   LEU   67   5.49 +/- 1.09   0.729% *  0.0382% (0.09   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   40  17.18 +/- 0.65   0.001% *  0.1557% (0.38   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB2   LEU   67  17.15 +/- 0.83   0.001% *  0.0143% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2569 (0.91, 1.48, 42.31 ppm):
    6 chemical-shift based assignments, quality = 1.0, support = 4.43, residual support = 104.6:
      O T QD1   LEU   40 - HB3   LEU   40   2.40 +/- 0.33  99.628% * 99.3101% (1.00   4.43 104.57) =  99.999%  kept
          QD2   LEU   67 - HB3   LEU   40   6.90 +/- 1.32   0.291% *  0.4021% (0.90   0.02   0.02) =   0.001%
          QG1   VAL  108 - HB3   LEU  115   8.84 +/- 0.37   0.051% *  0.0197% (0.04   0.02   0.02) =   0.000%
        T QD1   LEU   40 - HB3   LEU  115  11.01 +/- 0.55   0.015% *  0.0526% (0.12   0.02   0.02) =   0.000%
          QD2   LEU   67 - HB3   LEU  115  11.76 +/- 1.41   0.015% *  0.0472% (0.11   0.02   0.02) =   0.000%
          QG1   VAL  108 - HB3   LEU   40  16.83 +/- 0.62   0.001% *  0.1683% (0.38   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 4.2, residual support = 104.6:
      O T QD2   LEU   40 - HG    LEU   40   2.10 +/- 0.02  87.194% * 96.4797% (0.87   4.20 104.57) =  99.992%  kept
          QD1   ILE  119 - HG    LEU  115   3.76 +/- 0.74   8.541% *  0.0537% (0.10   0.02  11.86) =   0.005%
        T QD1   LEU   67 - HG    LEU   40   6.20 +/- 1.32   0.354% *  0.4428% (0.84   0.02   0.02) =   0.002%
          QD2   LEU   71 - HG    LEU   73   4.86 +/- 1.25   3.714% *  0.0173% (0.03   0.02   0.02) =   0.001%
          QG2   ILE  103 - HG    LEU   40   8.25 +/- 0.30   0.025% *  0.3849% (0.73   0.02   0.02) =   0.000%
        T QD2   LEU   40 - HG    LEU   73   7.65 +/- 0.60   0.047% *  0.0857% (0.16   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU   73   7.77 +/- 0.49   0.036% *  0.0857% (0.16   0.02   0.21) =   0.000%
          QD2   LEU   71 - HG    LEU   40   8.05 +/- 0.95   0.033% *  0.0928% (0.18   0.02   0.02) =   0.000%
        T QD1   LEU   67 - HG    LEU   73   8.65 +/- 0.96   0.024% *  0.0825% (0.16   0.02   0.02) =   0.000%
        T QD1   LEU   67 - HG    LEU  115  11.39 +/- 1.77   0.005% *  0.2563% (0.48   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG    LEU   73   9.31 +/- 0.45   0.012% *  0.0599% (0.11   0.02  43.90) =   0.000%
          QD1   ILE  119 - HG    LEU   40  11.04 +/- 0.96   0.005% *  0.0928% (0.18   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU   40  14.56 +/- 1.20   0.001% *  0.4598% (0.87   0.02   0.02) =   0.000%
        T QD2   LEU   40 - HG    LEU  115  13.29 +/- 0.77   0.001% *  0.2662% (0.50   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU  115  13.20 +/- 0.49   0.001% *  0.2229% (0.42   0.02   0.02) =   0.000%
          QG2   ILE  103 - HG    LEU   73  11.85 +/- 0.47   0.003% *  0.0718% (0.14   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG    LEU   40  15.64 +/- 1.55   0.001% *  0.3215% (0.61   0.02   0.02) =   0.000%
        T HG3   LYS+  74 - HG    LEU  115  15.55 +/- 1.22   0.001% *  0.1861% (0.35   0.02   0.02) =   0.000%
          HB    VAL   75 - HG    LEU  115  17.73 +/- 0.99   0.000% *  0.2662% (0.50   0.02   0.02) =   0.000%
          QD1   ILE  119 - HG    LEU   73  13.17 +/- 0.54   0.002% *  0.0173% (0.03   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG    LEU  115  17.11 +/- 1.11   0.000% *  0.0537% (0.10   0.02   0.02) =   0.000%
    Distance limit 2.65 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 = 0.861, support = 3.58, residual support = 66.9:
      O T QG2   VAL   41 - QG1   VAL   41   2.07 +/- 0.04  84.125% * 78.8203% (0.87   3.68  68.97) =  96.179%  kept
          QD2   LEU   98 - QG1   VAL   41   3.24 +/- 0.79  14.166% * 18.5764% (0.69   1.10  15.02) =   3.817%  kept
        T QD1   LEU   73 - QG1   VAL   41   4.31 +/- 0.33   1.137% *  0.1524% (0.31   0.02   0.95) =   0.003%
          QD2   LEU   63 - QG2   VAL   18   6.85 +/- 0.42   0.066% *  0.3384% (0.69   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG2   VAL   18   5.97 +/- 0.45   0.160% *  0.1165% (0.24   0.02   0.02) =   0.000%
        T QG2   VAL   41 - QG2   VAL   18   7.66 +/- 0.59   0.037% *  0.3273% (0.66   0.02   0.02) =   0.000%
          QD2   LEU   63 - QG1   VAL   41   9.38 +/- 0.77   0.011% *  0.4428% (0.90   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QG2   VAL   18   7.40 +/- 0.37   0.042% *  0.1165% (0.24   0.02   0.02) =   0.000%
        T QD2   LEU   98 - QD2   LEU  104   6.09 +/- 0.56   0.169% *  0.0182% (0.04   0.02   4.66) =   0.000%
          QD2   LEU   98 - QG2   VAL   18   9.47 +/- 0.71   0.010% *  0.2592% (0.52   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG1   VAL   41   8.88 +/- 0.57   0.014% *  0.1524% (0.31   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG1   VAL   41  11.30 +/- 1.00   0.004% *  0.3391% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   80 - QG2   VAL   18  11.10 +/- 1.17   0.004% *  0.2592% (0.52   0.02   0.02) =   0.000%
        T QG2   VAL   41 - QD2   LEU  104   8.37 +/- 0.56   0.020% *  0.0230% (0.05   0.02   0.02) =   0.000%
          QD2   LEU   63 - QD2   LEU  104   9.03 +/- 0.86   0.015% *  0.0238% (0.05   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QD2   LEU  104   9.05 +/- 0.58   0.013% *  0.0082% (0.02   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD2   LEU  104  10.78 +/- 0.64   0.004% *  0.0082% (0.02   0.02   0.02) =   0.000%
        T QD1   LEU   80 - QD2   LEU  104  16.30 +/- 1.24   0.000% *  0.0182% (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 = 1.29, residual support = 9.05:
          QB    ALA   34 - QG2   VAL   41   2.46 +/- 0.46  99.737% * 82.0302% (0.18   1.29   9.05) =  99.992%  kept
          HG2   LYS+  99 - QG2   VAL   41   7.92 +/- 0.63   0.144% *  1.4358% (0.20   0.02   0.02) =   0.003%
          QG2   THR   77 - QG2   VAL   41  10.67 +/- 0.45   0.030% *  6.8633% (0.95   0.02   0.02) =   0.002%
          QB    ALA   88 - QG2   VAL   41  11.02 +/- 0.78   0.030% *  4.4006% (0.61   0.02   0.02) =   0.002%
          HG2   LYS+  38 - QG2   VAL   41   9.31 +/- 0.46   0.046% *  2.0173% (0.28   0.02   0.02) =   0.001%
          QG2   THR   23 - QG2   VAL   41  11.81 +/- 0.19   0.014% *  3.2528% (0.45   0.02   0.02) =   0.001%
    Distance limit 3.21 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 = 0.311, support = 0.58, residual support = 2.05:
          HG    LEU   73 - QG2   VAL   41   2.56 +/- 0.37  95.372% * 25.9737% (0.31   0.55   0.95) =  92.172%  kept
        T QB    LEU   98 - QG2   VAL   41   4.73 +/- 0.44   4.074% * 51.3003% (0.34   0.98  15.02) =   7.776%  kept
          HG12  ILE   19 - QG2   VAL   41   7.12 +/- 0.40   0.258% *  3.0713% (1.00   0.02   0.02) =   0.029%
          HB3   LEU   67 - QG2   VAL   41   8.38 +/- 0.61   0.117% *  2.1144% (0.69   0.02   0.02) =   0.009%
          HB3   LYS+  74 - QG2   VAL   41   8.70 +/- 0.28   0.074% *  1.8670% (0.61   0.02   0.02) =   0.005%
          HG    LEU   80 - QG2   VAL   41  10.75 +/- 0.82   0.023% *  2.9706% (0.97   0.02   0.02) =   0.003%
        T HB2   LEU   80 - QG2   VAL   41  11.10 +/- 0.85   0.020% *  2.4648% (0.80   0.02   0.02) =   0.002%
          QB    ALA   61 - QG2   VAL   41  11.20 +/- 0.40   0.017% *  2.5711% (0.84   0.02   0.02) =   0.002%
          QG    LYS+  66 - QG2   VAL   41  12.49 +/- 0.46   0.009% *  1.4983% (0.49   0.02   0.02) =   0.001%
          QB    ALA  110 - QG2   VAL   41  14.08 +/- 0.44   0.004% *  3.0172% (0.98   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   41  11.50 +/- 0.82   0.017% *  0.6853% (0.22   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QG2   VAL   41  13.95 +/- 0.78   0.005% *  1.9913% (0.65   0.02   0.02) =   0.000%
          QB    ALA   12 - QG2   VAL   41  13.36 +/- 2.01   0.010% *  0.4749% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2574 (8.98, 0.55, 21.65 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 0.02, residual support = 0.02:
          HN    LYS+ 106 - QG2   VAL   41  11.99 +/- 0.45 100.000% *100.0000% (0.53   0.02   0.02) = 100.000%  kept
    Distance limit 3.01 A violated in 20 structures by 8.98 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 = 69.0:
      O   HN    VAL   41 - HB    VAL   41   3.02 +/- 0.30 100.000% *100.0000% (0.47   4.37  68.97) = 100.000%  kept
    Distance limit 3.46 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 = 0.965, support = 0.0197, residual support = 14.8:
          HN    LEU   98 - QG1   VAL   41   4.31 +/- 0.40  79.742% * 55.0073% (0.98   0.02  15.02) =  98.399%  kept
          HN    LEU   98 - QD2   LEU  104   5.62 +/- 0.60  19.964% *  2.9546% (0.05   0.02   4.66) =   1.323%
          HN    LEU   98 - QG2   VAL   18  11.19 +/- 0.47   0.294% * 42.0381% (0.75   0.02   0.02) =   0.277%
    Distance limit 3.76 A violated in 16 structures by 0.57 A, eliminated.
    Peak unassigned.
 
    Peak 2578 (7.28, 1.84, 34.57 ppm):
    4 chemical-shift based assignments, quality = 0.57, support = 0.0197, residual support = 0.0197:
          QD    PHE   60 - HB    VAL   41  10.25 +/- 0.41  54.540% * 34.1212% (0.66   0.02   0.02) =  72.968%  kept
          QE    PHE   59 - HB    VAL   41  11.00 +/- 0.75  36.866% * 12.0603% (0.23   0.02   0.02) =  17.433%  kept
          HN    LYS+  66 - HB    VAL   41  14.58 +/- 0.65   6.881% * 29.5320% (0.57   0.02   0.02) =   7.968%  kept
          HN    LYS+  81 - HB    VAL   41  18.28 +/- 0.61   1.713% * 24.2865% (0.47   0.02   0.02) =   1.631%
    Distance limit 3.70 A violated in 20 structures by 5.57 A, eliminated.
    Peak unassigned.
 
    Peak 2579 (8.94, 4.88, 60.22 ppm):
    4 chemical-shift based assignments, quality = 0.98, support = 5.16, residual support = 23.6:
      O   HN    VAL   42 - HA    VAL   41   2.19 +/- 0.01  99.547% * 99.2556% (0.98   5.16  23.59) =  99.998%  kept
          HN    LEU   73 - HA    VAL   41   5.46 +/- 0.18   0.422% *  0.3850% (0.98   0.02   0.95) =   0.002%
          HN    ILE   19 - HA    VAL   41   8.52 +/- 0.39   0.030% *  0.2382% (0.61   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HA    VAL   41  13.49 +/- 0.27   0.002% *  0.1212% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 5.03, residual support = 39.4:
      O   HN    VAL   43 - HA    VAL   42   2.20 +/- 0.02 100.000% * 99.9065% (0.90   5.03  39.39) = 100.000%  kept
          HN    VAL   43 - HA    PHE   55  17.65 +/- 0.30   0.000% *  0.0935% (0.21   0.02   0.02) =   0.000%
    Distance limit 2.77 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 = 0.334, support = 0.0196, residual support = 0.0196:
          QD2   LEU   31 - QG2   VAL   41   2.80 +/- 0.53  99.222% * 16.0745% (0.34   0.02   0.02) =  98.058%  kept
          QG2   VAL   83 - QG2   VAL   41   7.38 +/- 0.45   0.515% * 37.7342% (0.80   0.02   0.02) =   1.196%
          QD1   ILE   89 - QG2   VAL   41   8.37 +/- 0.48   0.263% * 46.1912% (0.98   0.02   0.02) =   0.746%
    Distance limit 3.00 A violated in 3 structures by 0.14 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 = 0.669, support = 0.0184, residual support = 14.1:
        T HB    VAL   41 - HB    VAL   42   6.29 +/- 0.18  44.433% *  8.6109% (0.84   0.02  23.59) =  57.408%  kept
          HB2   LEU   71 - HB    VAL   42   6.61 +/- 0.48  34.668% *  4.3431% (0.42   0.02   2.46) =  22.591%  kept
          QB    LYS+  66 - HB    VAL   42   8.78 +/- 0.51   6.393% *  8.9028% (0.87   0.02   0.02) =   8.540%  kept
          HG2   PRO   93 - HB2   LYS+ 112   9.26 +/- 0.32   4.465% *  5.4621% (0.53   0.02   0.02) =   3.659%  kept
          HG12  ILE  103 - HB    VAL   42  10.80 +/- 0.62   1.869% *  7.7397% (0.75   0.02   0.02) =   2.171%
          QB    LYS+  65 - HB    VAL   42  10.11 +/- 0.31   2.611% *  4.6944% (0.46   0.02   0.02) =   1.839%
          HB3   PRO   52 - HB2   LYS+ 112   9.99 +/- 0.73   3.108% *  3.8192% (0.37   0.02   0.02) =   1.781%
        T QB    LYS+ 102 - HB    VAL   42  12.60 +/- 0.71   0.726% *  5.7721% (0.56   0.02   0.02) =   0.629%
          HG    LEU  123 - HB    VAL   42  13.28 +/- 0.77   0.531% *  5.4118% (0.53   0.02   0.02) =   0.431%
          HG2   PRO   93 - HB    VAL   42  14.78 +/- 0.51   0.266% *  7.7397% (0.75   0.02   0.02) =   0.309%
          QB    LYS+  66 - HB2   LYS+ 112  14.77 +/- 0.54   0.268% *  6.2829% (0.61   0.02   0.02) =   0.253%
          HG    LEU  123 - HB2   LYS+ 112  14.34 +/- 0.69   0.327% *  3.8192% (0.37   0.02   0.02) =   0.187%
          QB    LYS+  65 - HB2   LYS+ 112  15.48 +/- 0.54   0.201% *  3.3129% (0.32   0.02   0.02) =   0.100%
          HB3   PRO   52 - HB    VAL   42  18.86 +/- 0.45   0.061% *  5.4118% (0.53   0.02   0.02) =   0.050%
          HG12  ILE  103 - HB2   LYS+ 112  21.83 +/- 0.64   0.026% *  5.4621% (0.53   0.02   0.02) =   0.021%
        T HB    VAL   41 - HB2   LYS+ 112  23.42 +/- 0.52   0.017% *  6.0769% (0.59   0.02   0.02) =   0.015%
        T QB    LYS+ 102 - HB2   LYS+ 112  22.85 +/- 0.49   0.019% *  4.0735% (0.40   0.02   0.02) =   0.012%
          HB2   LEU   71 - HB2   LYS+ 112  24.59 +/- 0.50   0.012% *  3.0650% (0.30   0.02   0.02) =   0.006%
    Distance limit 3.33 A violated in 20 structures by 2.25 A, eliminated.
    Peak unassigned.
 
    Peak 2584 (8.96, 0.15, 20.83 ppm):
    4 chemical-shift based assignments, quality = 0.641, support = 5.22, residual support = 83.6:
          HN    VAL   42 - QG2   VAL   42   2.61 +/- 0.16  89.004% * 70.4790% (0.64   5.36  87.63) =  95.274%  kept
          HN    LEU   73 - QG2   VAL   42   4.60 +/- 1.17  10.654% * 29.2007% (0.64   2.22   2.83) =   4.725%  kept
          HN    LYS+ 106 - QG2   VAL   42   8.69 +/- 0.82   0.096% *  0.2628% (0.64   0.02   0.02) =   0.000%
          HN    ILE   19 - QG2   VAL   42   7.36 +/- 1.16   0.246% *  0.0575% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 5.13, residual support = 39.4:
          HN    VAL   43 - QG2   VAL   42   3.87 +/- 0.20 100.000% *100.0000% (0.72   5.13  39.39) = 100.000%  kept
    Distance limit 3.86 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2586 (4.44, 0.37, 21.48 ppm):
    14 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 87.6:
      O T HA    VAL   42 - QG1   VAL   42   2.39 +/- 0.23  93.212% * 96.9099% (0.97   4.00  87.63) =  99.984%  kept
          HA    THR   46 - QB    ALA   47   3.83 +/- 0.03   6.111% *  0.2202% (0.44   0.02  12.67) =   0.015%
          HA    GLN   90 - QB    ALA   47   6.43 +/- 1.32   0.519% *  0.1570% (0.31   0.02   0.02) =   0.001%
        T HA    GLN   17 - QG1   VAL   42   9.00 +/- 0.53   0.042% *  0.2939% (0.59   0.02   0.02) =   0.000%
          HA    THR   46 - QG1   VAL   42   9.78 +/- 0.39   0.024% *  0.2549% (0.51   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   47   8.70 +/- 0.37   0.047% *  0.1163% (0.23   0.02   0.02) =   0.000%
          HA    ALA  110 - QG1   VAL   42  10.07 +/- 0.31   0.019% *  0.1347% (0.27   0.02   0.02) =   0.000%
        T HA    PHE   55 - QB    ALA   47  10.98 +/- 0.19   0.011% *  0.2369% (0.47   0.02   0.02) =   0.000%
        T HA    PHE   55 - QG1   VAL   42  12.95 +/- 0.21   0.004% *  0.2743% (0.55   0.02   0.02) =   0.000%
        T HA    VAL   42 - QB    ALA   47  14.62 +/- 0.12   0.002% *  0.4184% (0.83   0.02   0.02) =   0.000%
          HA    SER   37 - QG1   VAL   42  13.87 +/- 0.30   0.003% *  0.2939% (0.59   0.02   0.02) =   0.000%
          HA    GLN   90 - QG1   VAL   42  13.31 +/- 0.58   0.004% *  0.1819% (0.36   0.02   0.02) =   0.000%
        T HA    GLN   17 - QB    ALA   47  16.95 +/- 0.52   0.001% *  0.2538% (0.51   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   47  25.19 +/- 0.25   0.000% *  0.2538% (0.51   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 0.887, support = 1.88, residual support = 6.32:
          QD    PHE   60 - QG1   VAL   42   3.39 +/- 0.77  48.145% * 89.6231% (0.93   2.00   6.82) =  92.601%  kept
          QE    PHE   59 - QG1   VAL   42   3.28 +/- 0.50  51.456% *  6.6950% (0.33   0.42   0.02) =   7.393%  kept
          HN    LYS+  66 - QG1   VAL   42   7.83 +/- 0.27   0.233% *  0.7757% (0.81   0.02   0.02) =   0.004%
          QD    PHE   60 - QB    ALA   47   9.70 +/- 0.35   0.069% *  0.7740% (0.80   0.02   0.02) =   0.001%
          HN    LYS+  81 - QB    ALA   47   9.73 +/- 0.45   0.065% *  0.5509% (0.57   0.02   0.02) =   0.001%
          QE    PHE   59 - QB    ALA   47  11.31 +/- 0.33   0.026% *  0.2736% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG1   VAL   42  15.55 +/- 0.41   0.004% *  0.6379% (0.66   0.02   0.02) =   0.000%
          HN    LYS+  66 - QB    ALA   47  18.10 +/- 0.23   0.002% *  0.6699% (0.70   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2588 (8.96, 0.37, 21.48 ppm):
    8 chemical-shift based assignments, quality = 0.773, support = 5.01, residual support = 77.4:
          HN    VAL   42 - QG1   VAL   42   3.69 +/- 0.06  67.691% * 75.7081% (0.77   5.46  87.63) =  87.950%  kept
          HN    LEU   73 - QG1   VAL   42   4.33 +/- 0.54  30.272% * 23.1837% (0.77   1.67   2.83) =  12.044%  kept
          HN    LYS+ 106 - QG1   VAL   42   7.84 +/- 0.39   0.833% *  0.2772% (0.77   0.02   0.02) =   0.004%
          HN    ILE   19 - QG1   VAL   42   7.36 +/- 0.61   1.126% *  0.0606% (0.17   0.02   0.02) =   0.001%
          HN    LEU   73 - QB    ALA   47  13.19 +/- 0.19   0.033% *  0.2394% (0.67   0.02   0.02) =   0.000%
          HN    VAL   42 - QB    ALA   47  15.73 +/- 0.11   0.012% *  0.2394% (0.67   0.02   0.02) =   0.000%
          HN    LYS+ 106 - QB    ALA   47  15.88 +/- 0.31   0.011% *  0.2394% (0.67   0.02   0.02) =   0.000%
          HN    ILE   19 - QB    ALA   47  14.07 +/- 0.41   0.023% *  0.0524% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 5.13, residual support = 39.4:
          HN    VAL   43 - QG1   VAL   42   2.85 +/- 0.25  99.974% * 99.3939% (0.40   5.13  39.39) = 100.000%  kept
          HN    VAL   43 - QB    ALA   47  13.05 +/- 0.15   0.012% *  0.3349% (0.34   0.02   0.02) =   0.000%
          HN    VAL   24 - QB    ALA   47  13.74 +/- 0.39   0.009% *  0.1257% (0.13   0.02   0.02) =   0.000%
          HN    VAL   24 - QG1   VAL   42  15.17 +/- 0.58   0.005% *  0.1455% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.38 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   7.24 +/- 0.48  99.592% * 53.6601% (0.43   0.02   0.02) =  99.647%  kept
          HN    LEU  104 - QB    ALA   47  18.31 +/- 0.33   0.408% * 46.3399% (0.37   0.02   0.02) =   0.353%
    Distance limit 3.78 A violated in 20 structures by 3.46 A, eliminated.
    Peak unassigned.
 
    Peak 2591 (6.65, 0.37, 21.60 ppm):
    6 chemical-shift based assignments, quality = 0.292, support = 3.89, residual support = 16.9:
          HN    TRP   49 - QB    ALA   47   2.74 +/- 0.14  99.851% * 95.2498% (0.29   3.89  16.87) =  99.999%  kept
          HE22  GLN   30 - QG1   VAL   42   9.20 +/- 0.71   0.082% *  0.8825% (0.53   0.02   0.02) =   0.001%
          HD22  ASN   69 - QG1   VAL   42   9.63 +/- 0.67   0.059% *  1.0151% (0.61   0.02   0.02) =   0.001%
          HE22  GLN   30 - QB    ALA   47  14.70 +/- 1.01   0.005% *  1.1522% (0.69   0.02   0.02) =   0.000%
          HN    TRP   49 - QG1   VAL   42  15.80 +/- 0.35   0.003% *  0.3751% (0.22   0.02   0.02) =   0.000%
          HD22  ASN   69 - QB    ALA   47  22.82 +/- 0.66   0.000% *  1.3253% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.4, support = 2.31, residual support = 9.52:
      O   HN    ALA   47 - QB    ALA   47   2.44 +/- 0.05  93.844% * 62.6326% (0.39   2.36   9.82) =  96.414%  kept
          QD    PHE   95 - QG1   VAL   42   3.88 +/- 0.16   6.119% * 35.7181% (0.70   0.75   1.50) =   3.585%  kept
          QD    PHE   95 - QB    ALA   47   9.40 +/- 0.27   0.030% *  1.2436% (0.91   0.02   0.02) =   0.001%
          HN    ALA   47 - QG1   VAL   42  11.81 +/- 0.39   0.007% *  0.4058% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2593 (1.37, 0.76, 21.16 ppm):
    15 chemical-shift based assignments, quality = 0.58, support = 4.4, residual support = 35.2:
          HB    VAL   42 - QG1   VAL   43   5.16 +/- 0.12   7.749% * 67.9634% (0.62   4.70  39.39) =  85.354%  kept
          HB3   ASP-  44 - QG1   VAL   43   6.38 +/- 0.39   2.277% * 28.6134% (0.34   3.62  15.35) =  10.558%  kept
          HG    LEU   98 - QG1   VAL   43   3.73 +/- 0.86  73.702% *  0.2722% (0.58   0.02   0.02) =   3.251%  kept
        T HB3   LEU   73 - QG1   VAL   43   5.34 +/- 0.80  13.665% *  0.3216% (0.69   0.02   8.15) =   0.712%
          HG3   LYS+ 106 - QG1   VAL   43   7.88 +/- 0.92   0.788% *  0.3981% (0.85   0.02   0.02) =   0.051%
          QB    ALA   84 - QG1   VAL   43   7.45 +/- 0.25   0.874% *  0.3216% (0.69   0.02   0.02) =   0.046%
          HG3   LYS+  33 - QG1   VAL   43  10.07 +/- 0.55   0.151% *  0.2552% (0.54   0.02   0.02) =   0.006%
          HB3   PRO   93 - QG1   VAL   43  10.60 +/- 0.31   0.105% *  0.3369% (0.72   0.02   0.02) =   0.006%
          HG3   LYS+ 102 - QG1   VAL   43  10.80 +/- 0.73   0.096% *  0.3369% (0.72   0.02   0.02) =   0.005%
          HB3   LEU   80 - QG1   VAL   43   8.98 +/- 0.92   0.322% *  0.0833% (0.18   0.02   0.02) =   0.004%
          HB2   LEU   63 - QG1   VAL   43   9.39 +/- 0.40   0.220% *  0.1170% (0.25   0.02   0.02) =   0.004%
          HG3   LYS+  65 - QG1   VAL   43  14.16 +/- 0.54   0.018% *  0.2890% (0.62   0.02   0.02) =   0.001%
          QB    ALA  124 - QG1   VAL   43  15.43 +/- 0.65   0.011% *  0.2214% (0.47   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QG1   VAL   43  17.13 +/- 0.32   0.006% *  0.3650% (0.78   0.02   0.02) =   0.000%
          QB    ALA   12 - QG1   VAL   43  15.80 +/- 1.91   0.015% *  0.1049% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 4 structures by 0.23 A, kept.
 
    Peak 2594 (6.33, 0.76, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.291, support = 1.6, residual support = 8.86:
        T HH2   TRP   27 - QG1   VAL   43   1.84 +/- 0.08  88.049% * 37.3811% (0.31   1.29   8.86) =  81.475%  kept
        T HZ3   TRP   27 - QG1   VAL   43   2.96 +/- 0.57  11.951% * 62.6189% (0.22   2.96   8.86) =  18.525%  kept
    Distance limit 2.96 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 = 5.15, residual support = 59.8:
          HN    VAL   43 - QG1   VAL   43   2.16 +/- 0.26 100.000% *100.0000% (0.80   5.15  59.82) = 100.000%  kept
    Distance limit 3.25 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 = 15.3:
          HN    ASP-  44 - QG2   VAL   43   3.00 +/- 0.15  88.582% * 97.7010% (0.39   3.70  15.35) =  99.966%  kept
          HN    ASN   28 - QD2   LEU   31   4.65 +/- 0.66  10.313% *  0.2469% (0.18   0.02  17.39) =   0.029%
          HN    ASN   28 - QG2   VAL   43   7.82 +/- 0.36   0.304% *  0.8604% (0.63   0.02   0.02) =   0.003%
          HN    ASP-  44 - QD2   LEU   31   7.15 +/- 0.30   0.519% *  0.1514% (0.11   0.02   0.02) =   0.001%
          HN    GLU-  25 - QD2   LEU   31   8.42 +/- 0.58   0.200% *  0.1407% (0.10   0.02   0.02) =   0.000%
          HN    GLU-  25 - QG2   VAL   43  10.32 +/- 0.26   0.056% *  0.4904% (0.36   0.02   0.02) =   0.000%
          HN    ASN   69 - QG2   VAL   43  13.54 +/- 0.24   0.011% *  0.3179% (0.23   0.02   0.02) =   0.000%
          HN    ASN   69 - QD2   LEU   31  13.03 +/- 0.55   0.015% *  0.0912% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2597 (9.17, 1.77, 34.62 ppm):
    1 chemical-shift based assignment, quality = 0.866, support = 4.24, residual support = 59.8:
      O   HN    VAL   43 - HB    VAL   43   2.75 +/- 0.13 100.000% *100.0000% (0.87   4.24  59.82) = 100.000%  kept
    Distance limit 3.48 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   3.18 +/- 0.23 100.000% *100.0000% (0.51   1.50  16.41) = 100.000%  kept
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2599 (6.87, 1.34, 38.87 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.02, residual support = 12.6:
        T QD    PHE   45 - HB3   ASP-  44   5.81 +/- 0.23 100.000% *100.0000% (0.80   0.02  12.56) = 100.000%  kept
    Distance limit 3.83 A violated in 20 structures by 1.98 A, eliminated.
    Peak unassigned.
 
    Peak 2600 (8.78, 1.34, 38.87 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 3.33, residual support = 34.8:
      O   HN    ASP-  44 - HB3   ASP-  44   3.24 +/- 0.28  99.985% * 99.1420% (0.98   3.33  34.83) = 100.000%  kept
          HN    ASN   28 - HB3   ASP-  44  15.02 +/- 0.60   0.011% *  0.2722% (0.45   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB3   ASP-  44  17.39 +/- 0.57   0.005% *  0.5858% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.03 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   3.13 +/- 0.48  99.949% * 99.1398% (0.92   2.00   6.00) = 100.000%  kept
        T HA    MET   92 - HB2   ASP-  44  11.71 +/- 0.50   0.051% *  0.8602% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 34.8:
      O   HN    ASP-  44 - HB2   ASP-  44   2.54 +/- 0.22  99.994% * 99.0567% (0.98   3.03  34.83) = 100.000%  kept
          HN    ASN   28 - HB2   ASP-  44  13.92 +/- 0.57   0.004% *  0.2992% (0.45   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   ASP-  44  16.12 +/- 0.56   0.002% *  0.6441% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.38 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 = 23.4:
      O   HN    PHE   45 - HA    ASP-  44   2.27 +/- 0.02  81.774% * 18.8491% (0.18   4.04  12.56) =  51.238%  kept
      O   HN    ASP-  44 - HA    ASP-  44   2.92 +/- 0.00  18.217% * 80.5238% (0.80   3.77  34.83) =  48.762%  kept
          HN    ALA  110 - HA    ASP-  44  10.49 +/- 0.58   0.009% *  0.1818% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  25 - HA    ASP-  44  16.67 +/- 0.34   0.001% *  0.4453% (0.84   0.02   0.02) =   0.000%
    Distance limit 2.94 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   2.68 +/- 0.26 100.000% *100.0000% (0.87   2.00   4.73) = 100.000%  kept
    Distance limit 3.62 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 = 27.1:
        T HB    THR   94 - HB2   PHE   45   2.96 +/- 0.30  99.666% * 93.5636% (0.65   2.96  27.12) =  99.998%  kept
          QB    SER   85 - HB2   PHE   45   9.95 +/- 0.45   0.079% *  0.9440% (0.97   0.02   0.02) =   0.001%
          QB    SER   48 - HB2   PHE   45  10.94 +/- 0.27   0.045% *  0.7476% (0.76   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   PHE   45  10.06 +/- 0.15   0.073% *  0.3337% (0.34   0.02   0.02) =   0.000%
          HA    ALA   88 - HB2   PHE   45   9.42 +/- 0.47   0.114% *  0.1713% (0.18   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   PHE   45  13.71 +/- 0.20   0.011% *  0.4761% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB2   PHE   45  18.56 +/- 0.38   0.002% *  0.9030% (0.92   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   PHE   45  15.59 +/- 0.45   0.005% *  0.2439% (0.25   0.02   0.02) =   0.000%
          HA    ALA  120 - HB2   PHE   45  19.93 +/- 0.36   0.001% *  0.9253% (0.95   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   PHE   45  20.39 +/- 0.52   0.001% *  0.9440% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   PHE   45  19.68 +/- 0.27   0.001% *  0.5538% (0.57   0.02   0.02) =   0.000%
          HA    GLN   32 - HB2   PHE   45  19.30 +/- 0.22   0.001% *  0.1936% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 2.31, residual support = 11.0:
          QG2   THR   77 - HB2   PHE   45   3.30 +/- 0.21  97.598% * 95.4444% (0.45   2.31  10.99) =  99.982%  kept
          QG2   ILE   56 - HB2   PHE   45   6.56 +/- 0.24   1.725% *  0.8257% (0.45   0.02   0.02) =   0.015%
          QB    ALA   88 - HB2   PHE   45   7.83 +/- 0.56   0.627% *  0.2842% (0.15   0.02   0.02) =   0.002%
          QG2   THR   23 - HB2   PHE   45  13.08 +/- 0.25   0.026% *  1.7422% (0.95   0.02   0.02) =   0.000%
          QB    ALA   34 - HB2   PHE   45  13.40 +/- 0.20   0.023% *  1.1914% (0.65   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB2   PHE   45  23.46 +/- 0.74   0.001% *  0.5121% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2607 (0.63, 3.05, 39.30 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 0.75, residual support = 12.8:
        T QG2   ILE   89 - HB2   PHE   45   2.11 +/- 0.35  99.979% * 98.0573% (1.00   0.75  12.76) = 100.000%  kept
          QG1   VAL   83 - HB2   PHE   45   9.73 +/- 0.69   0.020% *  1.4837% (0.57   0.02   1.10) =   0.000%
          QD1   LEU  104 - HB2   PHE   45  14.61 +/- 0.48   0.002% *  0.4590% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2608 (1.31, 2.42, 39.30 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 2.73, residual support = 11.0:
          QG2   THR   77 - HB3   PHE   45   2.02 +/- 0.18  99.924% * 97.2974% (0.87   2.73  10.99) = 100.000%  kept
          QB    ALA   88 - HB3   PHE   45   8.35 +/- 0.45   0.024% *  0.8156% (0.99   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   PHE   45   7.85 +/- 1.30   0.049% *  0.1629% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   PHE   45  14.07 +/- 0.41   0.001% *  0.3089% (0.38   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   PHE   45  15.31 +/- 0.38   0.001% *  0.2540% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   PHE   45  20.19 +/- 0.45   0.000% *  0.5324% (0.65   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   PHE   45  23.79 +/- 0.54   0.000% *  0.6289% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2609 (0.64, 2.42, 39.30 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.75, residual support = 12.8:
        T QG2   ILE   89 - HB3   PHE   45   2.19 +/- 0.41 100.000% *100.0000% (0.69   0.75  12.76) = 100.000%  kept
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2610 (6.84, 3.05, 39.30 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 3.91, residual support = 77.1:
      O   QD    PHE   45 - HB2   PHE   45   2.44 +/- 0.05  99.998% * 98.4741% (0.65   3.91  77.13) = 100.000%  kept
          HD2   HIS  122 - HB2   PHE   45  15.22 +/- 0.48   0.002% *  0.6974% (0.90   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB2   PHE   45  19.86 +/- 0.76   0.000% *  0.6746% (0.87   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   PHE   45  19.94 +/- 1.13   0.000% *  0.1539% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 3.65, residual support = 77.1:
      O   HN    PHE   45 - HB2   PHE   45   2.20 +/- 0.05  99.745% * 98.9592% (0.73   3.65  77.13) =  99.999%  kept
          HN    ASP-  44 - HB2   PHE   45   6.03 +/- 0.06   0.237% *  0.1661% (0.22   0.02  12.56) =   0.000%
          HN    ALA  110 - HB2   PHE   45   9.37 +/- 0.42   0.018% *  0.6887% (0.92   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PHE   45  15.79 +/- 0.26   0.001% *  0.1860% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 77.1:
      O   QD    PHE   45 - HB3   PHE   45   2.37 +/- 0.04  99.999% * 98.7030% (0.65   4.62  77.13) = 100.000%  kept
          HD2   HIS  122 - HB3   PHE   45  16.84 +/- 0.44   0.001% *  0.5928% (0.90   0.02   0.02) =   0.000%
          HE22  GLN  116 - HB3   PHE   45  21.28 +/- 0.78   0.000% *  0.5734% (0.87   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   PHE   45  19.95 +/- 1.22   0.000% *  0.1308% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 3.98, residual support = 77.1:
      O   HN    PHE   45 - HB3   PHE   45   3.47 +/- 0.03  97.975% * 99.0440% (0.73   3.98  77.13) =  99.996%  kept
          HN    ASP-  44 - HB3   PHE   45   6.73 +/- 0.04   1.851% *  0.1526% (0.22   0.02  12.56) =   0.003%
          HN    ALA  110 - HB3   PHE   45  10.19 +/- 0.36   0.158% *  0.6325% (0.92   0.02   0.02) =   0.001%
          HN    GLU-  25 - HB3   PHE   45  14.76 +/- 0.26   0.017% *  0.1709% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2614 (5.04, 0.75, 18.88 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 1.23, residual support = 3.97:
          HA    ASP-  76 - QG2   THR   46   2.29 +/- 0.34 100.000% *100.0000% (0.41   1.23   3.97) = 100.000%  kept
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2615 (8.48, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 3.39, residual support = 34.5:
          HN    THR   46 - QG2   THR   46   2.27 +/- 0.20  99.753% * 97.6986% (0.76   3.39  34.52) =  99.998%  kept
          HN    LYS+  74 - QG2   THR   46   6.59 +/- 0.35   0.187% *  0.7550% (1.00   0.02   0.02) =   0.001%
          HN    MET   92 - QG2   THR   46   8.26 +/- 0.52   0.058% *  0.4274% (0.57   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QG2   THR   46  13.82 +/- 0.54   0.002% *  0.4884% (0.65   0.02   0.02) =   0.000%
          HN    MET   11 - QG2   THR   46  22.40 +/- 2.60   0.000% *  0.6306% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2616 (7.03, 0.75, 18.88 ppm):
    2 chemical-shift based assignments, quality = 0.249, support = 3.2, residual support = 12.7:
          HN    ALA   47 - QG2   THR   46   3.04 +/- 0.36  99.275% * 97.9511% (0.25   3.20  12.67) =  99.985%  kept
          QD    PHE   95 - QG2   THR   46   7.66 +/- 0.45   0.725% *  2.0489% (0.84   0.02   0.02) =   0.015%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2617 (2.82, 0.75, 18.88 ppm):
    5 chemical-shift based assignments, quality = 0.298, support = 0.724, residual support = 0.436:
          QB    CYS   50 - QG2   THR   46   3.29 +/- 0.49  27.538% * 74.9813% (0.31   0.99   0.65) =  65.973%  kept
          QE    LYS+  74 - QG2   THR   46   2.60 +/- 0.80  72.417% * 14.7034% (0.28   0.21   0.02) =  34.021%  kept
          HB2   PHE   72 - QG2   THR   46  10.15 +/- 0.64   0.036% *  4.9109% (1.00   0.02   0.02) =   0.006%
          HA    ALA   64 - QG2   THR   46  12.34 +/- 0.52   0.009% *  2.0234% (0.41   0.02   0.02) =   0.001%
          HB3   ASN   69 - QG2   THR   46  19.50 +/- 0.65   0.001% *  3.3809% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 9.76:
      O   HN    SER   48 - HA    SER   48   2.69 +/- 0.01  99.996% * 99.4917% (0.49   2.61   9.76) = 100.000%  kept
          HN    SER   48 - HB2   SER   82  14.71 +/- 0.52   0.004% *  0.3348% (0.21   0.02   0.02) =   0.000%
          HN    SER   48 - HA    VAL   70  25.13 +/- 0.34   0.000% *  0.1735% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 9.76:
      O   HN    SER   48 - QB    SER   48   2.31 +/- 0.17  99.995% * 99.6158% (0.95   2.61   9.76) = 100.000%  kept
          HN    SER   48 - QB    SER   85  12.50 +/- 0.67   0.004% *  0.1859% (0.23   0.02   0.02) =   0.000%
          HN    SER   48 - QB    SER  117  22.27 +/- 0.51   0.000% *  0.1983% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.76 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 = 0.9, support = 3.96, residual support = 66.3:
      O   HN    TRP   49 - HB2   TRP   49   3.58 +/- 0.02  66.438% * 88.5943% (0.95   4.01  70.30) =  94.157%  kept
          HN    CYS   50 - HB2   TRP   49   4.01 +/- 0.04  33.561% * 10.8827% (0.15   3.02   2.36) =   5.843%  kept
          HE22  GLN   30 - HB2   TRP   49  22.21 +/- 1.21   0.001% *  0.4307% (0.92   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB2   TRP   49  31.19 +/- 0.90   0.000% *  0.0923% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 70.3:
      O   HD1   TRP   49 - HB2   TRP   49   3.92 +/- 0.00  99.974% * 24.4691% (0.80   0.02  70.30) =  99.977%  kept
          HD2   HIS   22 - HB2   TRP   49  17.32 +/- 2.06   0.017% * 28.2088% (0.92   0.02   0.02) =   0.020%
          HN    THR   23 - HB2   TRP   49  19.31 +/- 0.64   0.007% *  4.7150% (0.15   0.02   0.02) =   0.001%
          HN    LEU   67 - HB2   TRP   49  25.42 +/- 0.28   0.001% * 13.7002% (0.45   0.02   0.02) =   0.001%
          HD21  ASN   35 - HB2   TRP   49  32.21 +/- 0.76   0.000% * 28.9069% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 20 structures by 0.44 A, eliminated.
    Peak unassigned.
 
    Peak 2623 (6.63, 3.15, 29.61 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 4.01, residual support = 70.3:
      O   HN    TRP   49 - HB3   TRP   49   2.58 +/- 0.10  93.348% * 99.3328% (0.79   4.01  70.30) =  99.994%  kept
          HN    CYS   50 - HB3   TRP   49   4.01 +/- 0.06   6.652% *  0.0807% (0.13   0.02   2.36) =   0.006%
          HE22  GLN   30 - HB3   TRP   49  21.75 +/- 1.28   0.000% *  0.4829% (0.77   0.02   0.02) =   0.000%
          HD22  ASN   69 - HB3   TRP   49  31.60 +/- 0.84   0.000% *  0.1035% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 3.73, residual support = 70.3:
      O   HD1   TRP   49 - HB3   TRP   49   3.07 +/- 0.04  99.992% * 98.3706% (0.67   3.73  70.30) = 100.000%  kept
          HD2   HIS   22 - HB3   TRP   49  16.70 +/- 2.06   0.005% *  0.6086% (0.77   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   TRP   49  18.41 +/- 0.65   0.002% *  0.1017% (0.13   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   TRP   49  26.02 +/- 0.26   0.000% *  0.2956% (0.37   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   TRP   49  31.57 +/- 0.75   0.000% *  0.6236% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 0.718, support = 0.0198, residual support = 3.46:
          HB2   PRO   52 - HB3   TRP   49   9.61 +/- 0.03  98.568% * 45.9163% (0.72   0.02   3.49) =  99.147%  kept
          HB2   ASP-  62 - HB3   TRP   49  21.84 +/- 0.39   0.721% * 45.9163% (0.72   0.02   0.02) =   0.726%
          HG2   MET   96 - HB3   TRP   49  21.90 +/- 0.42   0.710% *  8.1674% (0.13   0.02   0.02) =   0.127%
    Distance limit 3.87 A violated in 20 structures by 5.74 A, eliminated.
    Peak unassigned.
 
    Peak 2626 (2.40, 3.15, 29.61 ppm):
    6 chemical-shift based assignments, quality = 0.464, support = 0.0199, residual support = 0.0199:
          HB3   PHE   45 - HB3   TRP   49  12.44 +/- 0.17  45.207% * 16.1708% (0.47   0.02   0.02) =  46.821%  kept
          QG    GLU-  79 - HB3   TRP   49  12.78 +/- 0.84  39.708% * 13.9029% (0.41   0.02   0.02) =  35.358%  kept
          QE    LYS+ 112 - HB3   TRP   49  15.88 +/- 0.79  11.006% * 16.1708% (0.47   0.02   0.02) =  11.399%  kept
          HB    VAL  107 - HB3   TRP   49  19.28 +/- 0.49   3.319% * 27.0190% (0.79   0.02   0.02) =   5.744%  kept
          QG    GLN   32 - HB3   TRP   49  27.59 +/- 1.29   0.402% * 22.8711% (0.67   0.02   0.02) =   0.589%
          HG2   GLU-  29 - HB3   TRP   49  27.93 +/- 0.82   0.358% *  3.8655% (0.11   0.02   0.02) =   0.089%
    Distance limit 3.93 A violated in 20 structures by 6.95 A, eliminated.
    Peak unassigned.
 
    Peak 2627 (0.38, 2.80, 44.93 ppm):
    4 chemical-shift based assignments, quality = 0.647, support = 4.11, residual support = 10.3:
          QB    ALA   47 - QB    CYS   50   3.84 +/- 0.07  99.536% * 98.9613% (0.65   4.11  10.28) =  99.998%  kept
          QB    ALA   64 - QB    CYS   50  10.99 +/- 0.33   0.185% *  0.4815% (0.65   0.02   0.02) =   0.001%
          QG1   VAL   42 - QB    CYS   50  11.16 +/- 0.31   0.168% *  0.3916% (0.53   0.02   0.02) =   0.001%
          HG2   LYS+ 112 - QB    CYS   50  12.06 +/- 0.78   0.111% *  0.1657% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 7 structures by 0.27 A, kept.
 
    Peak 2628 (3.83, 2.80, 44.93 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 1.5, residual support = 8.19:
        T HB2   CYS   53 - QB    CYS   50   2.30 +/- 0.26  99.259% * 96.1176% (1.00   1.50   8.19) =  99.993%  kept
          HD3   PRO   52 - QB    CYS   50   5.48 +/- 0.10   0.692% *  0.9327% (0.73   0.02   0.02) =   0.007%
          HD2   PRO   58 - QB    CYS   50   8.41 +/- 0.35   0.047% *  0.6252% (0.49   0.02   0.02) =   0.000%
          HA    VAL   83 - QB    CYS   50  16.49 +/- 0.45   0.001% *  0.5280% (0.41   0.02   0.02) =   0.000%
          HA    GLN   30 - QB    CYS   50  18.99 +/- 0.52   0.000% *  1.0285% (0.80   0.02   0.02) =   0.000%
          HB3   SER   82 - QB    CYS   50  17.43 +/- 0.51   0.001% *  0.2860% (0.22   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    CYS   50  24.81 +/- 0.53   0.000% *  0.4821% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.70 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 = 0.786, support = 1.27, residual support = 6.36:
      O   HN    CYS   50 - QB    CYS   50   2.84 +/- 0.02  94.222% * 36.0332% (0.80   1.14   6.79) =  90.261%  kept
          HN    TRP   49 - QB    CYS   50   4.53 +/- 0.08   5.769% * 63.4991% (0.65   2.48   2.36) =   9.739%  kept
          HN    VAL   83 - QB    CYS   50  15.17 +/- 0.43   0.004% *  0.2702% (0.34   0.02   0.02) =   0.000%
          HE22  GLN   30 - QB    CYS   50  14.77 +/- 0.95   0.005% *  0.1975% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 9.59:
      O T HA2   GLY   51 - HA1   GLY   51   1.75 +/- 0.00  99.991% * 94.9840% (0.87   2.81   9.59) = 100.000%  kept
        T QB    SER   48 - HA1   GLY   51   8.48 +/- 0.26   0.008% *  0.7779% (1.00   0.02   0.02) =   0.000%
          HB    THR   94 - HA1   GLY   51  14.13 +/- 0.10   0.000% *  0.7524% (0.97   0.02   0.02) =   0.000%
        T QB    SER   85 - HA1   GLY   51  18.37 +/- 0.63   0.000% *  0.5044% (0.65   0.02   0.02) =   0.000%
        T QB    SER  117 - HA1   GLY   51  19.53 +/- 0.56   0.000% *  0.4729% (0.61   0.02   0.02) =   0.000%
          HA    PHE   60 - HA1   GLY   51  16.37 +/- 0.40   0.000% *  0.1055% (0.14   0.02   0.02) =   0.000%
          HA    ALA  120 - HA1   GLY   51  24.73 +/- 0.51   0.000% *  0.7375% (0.95   0.02   0.02) =   0.000%
          HA    LYS+  65 - HA1   GLY   51  22.75 +/- 0.40   0.000% *  0.4414% (0.57   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HA1   GLY   51  26.60 +/- 0.40   0.000% *  0.7197% (0.92   0.02   0.02) =   0.000%
          HA2   GLY   16 - HA1   GLY   51  26.26 +/- 0.80   0.000% *  0.5044% (0.65   0.02   0.02) =   0.000%
    Distance limit 2.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2631 (3.34, 2.63, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.98, support = 1.72, residual support = 7.46:
          HD3   PRO   93 - HB2   PRO   52   2.90 +/- 0.22  91.437% * 25.9731% (0.98   1.50   3.57) =  91.372%  kept
          HB3   CYS   53 - HB2   PRO   52   5.27 +/- 0.42   3.081% * 72.2042% (0.99   4.12  48.98) =   8.560%  kept
          QB    PHE   55 - HB2   PRO   52   4.82 +/- 0.59   5.213% *  0.3261% (0.92   0.02   0.02) =   0.065%
          HD2   ARG+  54 - HB2   PRO   52   8.86 +/- 0.76   0.136% *  0.3410% (0.97   0.02   0.02) =   0.002%
          HB2   PHE   59 - HB2   PRO   52   9.47 +/- 0.76   0.113% *  0.2427% (0.69   0.02   0.02) =   0.001%
          HD3   PRO   93 - HG2   MET   96  14.98 +/- 0.44   0.005% *  0.1017% (0.29   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   MET   96  14.32 +/- 0.48   0.007% *  0.0713% (0.20   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   MET   96  16.43 +/- 0.60   0.003% *  0.1029% (0.29   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   MET   96  17.29 +/- 0.61   0.002% *  0.0958% (0.27   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   MET   96  18.15 +/- 1.06   0.002% *  0.1002% (0.28   0.02   0.02) =   0.000%
          HD3   PRO   68 - HB2   PRO   52  22.93 +/- 0.86   0.000% *  0.3410% (0.97   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   MET   96  23.60 +/- 0.66   0.000% *  0.1002% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2632 (3.31, 1.84, 32.81 ppm):
    12 chemical-shift based assignments, quality = 0.397, support = 1.71, residual support = 7.06:
        T HD3   PRO   93 - HB3   PRO   52   3.83 +/- 0.10  79.583% * 35.8545% (0.41   1.50   3.57) =  91.968%  kept
          HB3   CYS   53 - HB3   PRO   52   6.45 +/- 0.45   3.893% * 61.4998% (0.25   4.24  48.98) =   7.716%  kept
          QB    PHE   55 - HB3   PRO   52   5.13 +/- 0.56  15.516% *  0.6118% (0.53   0.02   0.02) =   0.306%
        T HD2   ARG+  54 - HB3   PRO   52   8.74 +/- 0.96   0.751% *  0.2301% (0.20   0.02   0.02) =   0.006%
          HB2   PHE   59 - HB3   PRO   52  10.98 +/- 0.71   0.166% *  0.9311% (0.80   0.02   0.02) =   0.005%
          HD3   PRO   93 - QB    LYS+  81  13.35 +/- 0.69   0.050% *  0.0548% (0.05   0.02   0.02) =   0.000%
          HB3   CYS   53 - QB    LYS+  81  14.83 +/- 0.72   0.025% *  0.0333% (0.03   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HB3   PRO   52  24.55 +/- 0.85   0.001% *  0.5213% (0.45   0.02   0.02) =   0.000%
          QB    PHE   55 - QB    LYS+  81  18.08 +/- 0.75   0.007% *  0.0702% (0.06   0.02   0.02) =   0.000%
          HB2   PHE   59 - QB    LYS+  81  19.84 +/- 0.93   0.004% *  0.1068% (0.09   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - QB    LYS+  81  21.25 +/- 0.76   0.003% *  0.0264% (0.02   0.02   0.02) =   0.000%
          HD3   PRO   68 - QB    LYS+  81  26.94 +/- 0.50   0.001% *  0.0598% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2633 (1.45, 2.63, 32.81 ppm):
    26 chemical-shift based assignments, quality = 0.278, support = 0.02, residual support = 0.02:
          QB    ALA  110 - HB2   PRO   52   2.15 +/- 0.34  99.909% *  2.7932% (0.28   0.02   0.02) =  99.886%  kept
          HB3   LEU  115 - HB2   PRO   52   9.94 +/- 0.65   0.012% *  8.3913% (0.84   0.02   0.02) =   0.037%
          HG    LEU   73 - HG2   MET   96   9.52 +/- 0.87   0.021% *  2.8481% (0.28   0.02   0.02) =   0.021%
          HG    LEU   40 - HG2   MET   96   9.57 +/- 0.82   0.019% *  2.4650% (0.25   0.02   0.02) =   0.017%
          QB    ALA   61 - HB2   PRO   52  11.45 +/- 0.31   0.006% *  4.8900% (0.49   0.02   0.02) =   0.011%
          HG    LEU  115 - HB2   PRO   52  10.72 +/- 0.57   0.008% *  2.7932% (0.28   0.02   0.02) =   0.008%
          HG2   LYS+ 102 - HG2   MET   96  11.70 +/- 0.60   0.006% *  2.9446% (0.29   0.02   0.02) =   0.006%
          HB3   LEU  115 - HG2   MET   96  13.50 +/- 0.48   0.003% *  2.4650% (0.25   0.02   0.02) =   0.002%
          QG    LYS+  66 - HB2   PRO   52  17.22 +/- 0.82   0.001% *  8.3913% (0.84   0.02   0.02) =   0.002%
          HG    LEU   67 - HG2   MET   96  15.35 +/- 1.58   0.002% *  2.1430% (0.21   0.02   0.02) =   0.001%
          HB3   LEU   67 - HG2   MET   96  14.58 +/- 0.73   0.002% *  1.9091% (0.19   0.02   0.02) =   0.001%
          HG    LEU   73 - HB2   PRO   52  19.07 +/- 0.33   0.000% *  9.6953% (0.97   0.02   0.02) =   0.001%
          HG    LEU   80 - HG2   MET   96  13.20 +/- 0.76   0.003% *  0.9109% (0.09   0.02   0.02) =   0.001%
          HG    LEU   80 - HB2   PRO   52  18.01 +/- 1.22   0.001% *  3.1007% (0.31   0.02   0.02) =   0.001%
          QB    ALA  120 - HB2   PRO   52  16.26 +/- 0.55   0.001% *  2.7932% (0.28   0.02   0.02) =   0.001%
          QB    ALA  110 - HG2   MET   96  13.64 +/- 0.48   0.002% *  0.8205% (0.08   0.02   0.02) =   0.001%
          QB    ALA   61 - HG2   MET   96  15.20 +/- 0.30   0.001% *  1.4365% (0.14   0.02   0.02) =   0.001%
          QG    LYS+  66 - HG2   MET   96  17.13 +/- 0.47   0.001% *  2.4650% (0.25   0.02   0.02) =   0.001%
          HG    LEU   67 - HB2   PRO   52  21.29 +/- 1.24   0.000% *  7.2951% (0.73   0.02   0.02) =   0.000%
          HG    LEU   40 - HB2   PRO   52  21.39 +/- 0.92   0.000% *  8.3913% (0.84   0.02   0.02) =   0.000%
          HB3   LEU   67 - HB2   PRO   52  20.95 +/- 0.55   0.000% *  6.4990% (0.65   0.02   0.02) =   0.000%
          QB    ALA  120 - HG2   MET   96  15.51 +/- 0.19   0.001% *  0.8205% (0.08   0.02   0.02) =   0.000%
          HG    LEU  115 - HG2   MET   96  15.98 +/- 0.75   0.001% *  0.8205% (0.08   0.02   0.02) =   0.000%
          HG12  ILE   19 - HG2   MET   96  15.67 +/- 0.51   0.001% *  0.6570% (0.07   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   PRO   52  27.54 +/- 0.83   0.000% * 10.0239% (1.00   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   PRO   52  21.86 +/- 0.37   0.000% *  2.2366% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2634 (1.34, 3.98, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.655, support = 0.0196, residual support = 3.08:
          HB3   PRO   93 - HD2   PRO   52   6.78 +/- 0.28  88.081% *  7.1341% (0.65   0.02   3.57) =  86.066%  kept
          HB3   ASP-  44 - HD2   PRO   52  11.94 +/- 0.64   3.158% * 10.8097% (0.98   0.02   0.02) =   4.675%  kept
          QB    ALA   84 - HD2   PRO   52  11.38 +/- 0.37   4.197% *  7.5752% (0.69   0.02   0.02) =   4.355%  kept
          HG2   LYS+ 111 - HD2   PRO   52  12.60 +/- 0.52   2.162% *  9.2114% (0.84   0.02   0.02) =   2.727%  kept
          HB3   LEU   80 - HD2   PRO   52  16.06 +/- 1.03   0.574% * 10.8097% (0.98   0.02   0.02) =   0.850%
          HB2   LEU   63 - HD2   PRO   52  15.99 +/- 0.33   0.520% * 11.0280% (1.00   0.02   0.02) =   0.785%
        T QB    ALA   88 - HD2   PRO   52  14.50 +/- 0.50   0.934% *  1.9314% (0.18   0.02   0.02) =   0.247%
          HG    LEU   98 - HD2   PRO   52  21.07 +/- 0.92   0.103% *  8.8306% (0.80   0.02   0.02) =   0.124%
          HB2   LEU   31 - HD2   PRO   52  24.35 +/- 0.49   0.043% *  9.8903% (0.90   0.02   0.02) =   0.058%
          QB    ALA  124 - HD2   PRO   52  24.76 +/- 0.56   0.038% *  9.8903% (0.90   0.02   0.02) =   0.052%
        T HG3   LYS+ 106 - HD2   PRO   52  19.48 +/- 0.62   0.163% *  1.7016% (0.15   0.02   0.02) =   0.038%
          HG2   LYS+  99 - HD2   PRO   52  27.46 +/- 0.47   0.020% *  6.2436% (0.57   0.02   0.02) =   0.018%
          HG2   LYS+  38 - HD2   PRO   52  32.12 +/- 0.48   0.008% *  4.9442% (0.45   0.02   0.02) =   0.005%
    Distance limit 3.63 A violated in 20 structures by 3.04 A, eliminated.
    Peak unassigned.
 
    Peak 2635 (3.99, 3.84, 51.93 ppm):
    13 chemical-shift based assignments, quality = 0.801, support = 7.79, residual support = 191.0:
      O T HD2   PRO   52 - HD3   PRO   52   1.75 +/- 0.00  99.993% * 98.0201% (0.80   7.79 191.00) = 100.000%  kept
        T HA    SER   48 - HD3   PRO   52   8.82 +/- 0.14   0.006% *  0.3116% (0.99   0.02   0.02) =   0.000%
          HA    ALA   88 - HD3   PRO   52  17.58 +/- 0.49   0.000% *  0.3034% (0.97   0.02   0.02) =   0.000%
          HA    VAL   18 - HD3   PRO   52  18.96 +/- 0.61   0.000% *  0.2033% (0.65   0.02   0.02) =   0.000%
          QB    SER   85 - HD3   PRO   52  16.47 +/- 0.65   0.000% *  0.0550% (0.18   0.02   0.02) =   0.000%
        T HB2   SER   82 - HD3   PRO   52  21.07 +/- 0.55   0.000% *  0.2283% (0.73   0.02   0.02) =   0.000%
          HA    GLN  116 - HD3   PRO   52  18.15 +/- 0.45   0.000% *  0.0622% (0.20   0.02   0.02) =   0.000%
          HA    LYS+  65 - HD3   PRO   52  22.44 +/- 0.34   0.000% *  0.0700% (0.22   0.02   0.02) =   0.000%
          HA    GLN   32 - HD3   PRO   52  29.86 +/- 0.36   0.000% *  0.2973% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  29 - HD3   PRO   52  28.08 +/- 0.46   0.000% *  0.1907% (0.61   0.02   0.02) =   0.000%
        T HA    VAL   70 - HD3   PRO   52  26.05 +/- 0.32   0.000% *  0.0622% (0.20   0.02   0.02) =   0.000%
          HA2   GLY   16 - HD3   PRO   52  25.86 +/- 0.63   0.000% *  0.0550% (0.18   0.02   0.02) =   0.000%
          HA    LYS+  33 - HD3   PRO   52  30.71 +/- 0.31   0.000% *  0.1409% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.46 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 = 7.79, residual support = 191.0:
      O T HD3   PRO   52 - HD2   PRO   52   1.75 +/- 0.00  99.631% * 98.7132% (0.87   7.79 191.00) = 100.000%  kept
          HB2   CYS   53 - HD2   PRO   52   4.60 +/- 0.36   0.368% *  0.1097% (0.38   0.02  48.98) =   0.000%
          HA    ILE   89 - HD2   PRO   52  12.71 +/- 0.48   0.001% *  0.1310% (0.45   0.02   0.02) =   0.000%
        T HB3   SER   82 - HD2   PRO   52  20.73 +/- 0.50   0.000% *  0.2697% (0.92   0.02   0.02) =   0.000%
          HB    THR  118 - HD2   PRO   52  16.70 +/- 0.35   0.000% *  0.0451% (0.15   0.02   0.02) =   0.000%
          HA    GLN   30 - HD2   PRO   52  24.51 +/- 0.47   0.000% *  0.2340% (0.80   0.02   0.02) =   0.000%
          QB    SER   13 - HD2   PRO   52  25.76 +/- 1.31   0.000% *  0.1890% (0.65   0.02   0.02) =   0.000%
          HB    THR   39 - HD2   PRO   52  26.73 +/- 0.28   0.000% *  0.1772% (0.61   0.02   0.02) =   0.000%
          HB3   SER   37 - HD2   PRO   52  28.58 +/- 0.40   0.000% *  0.1310% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2637 (4.28, 3.84, 51.93 ppm):
    11 chemical-shift based assignments, quality = 0.764, support = 3.95, residual support = 16.1:
      O   HA1   GLY   51 - HD3   PRO   52   2.52 +/- 0.04  99.946% * 95.5623% (0.76   3.95  16.14) = 100.000%  kept
          HB    THR   77 - HD3   PRO   52  10.20 +/- 0.41   0.024% *  0.5680% (0.90   0.02   0.02) =   0.000%
          HA    ALA   57 - HD3   PRO   52  10.28 +/- 0.16   0.022% *  0.2840% (0.45   0.02   0.02) =   0.000%
          HA    ASP-  44 - HD3   PRO   52  13.28 +/- 0.19   0.005% *  0.5290% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  79 - HD3   PRO   52  15.66 +/- 0.58   0.002% *  0.5847% (0.92   0.02   0.02) =   0.000%
          HA    SER   85 - HD3   PRO   52  17.11 +/- 0.55   0.001% *  0.5680% (0.90   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD3   PRO   52  23.88 +/- 0.27   0.000% *  0.6112% (0.97   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD3   PRO   52  21.27 +/- 0.39   0.000% *  0.1109% (0.18   0.02   0.02) =   0.000%
        T HA    THR   39 - HD3   PRO   52  29.64 +/- 0.25   0.000% *  0.5494% (0.87   0.02   0.02) =   0.000%
          HA    MET   11 - HD3   PRO   52  35.10 +/- 3.49   0.000% *  0.5072% (0.80   0.02   0.02) =   0.000%
          HA    ALA   12 - HD3   PRO   52  32.58 +/- 2.52   0.000% *  0.1253% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 5.45, residual support = 16.1:
      O   HA1   GLY   51 - HD2   PRO   52   3.34 +/- 0.04  99.716% * 92.5441% (0.34   5.45  16.14) =  99.997%  kept
          HB    THR   77 - HD2   PRO   52   9.45 +/- 0.41   0.206% *  0.9613% (0.97   0.02   0.02) =   0.002%
          HA    ASP-  44 - HD2   PRO   52  11.79 +/- 0.17   0.052% *  0.9873% (0.99   0.02   0.02) =   0.001%
          HA    GLU-  79 - HD2   PRO   52  14.72 +/- 0.50   0.014% *  0.5241% (0.53   0.02   0.02) =   0.000%
        T HA    SER   85 - HD2   PRO   52  16.53 +/- 0.54   0.007% *  0.9613% (0.97   0.02   0.02) =   0.000%
          HA    ASP-  86 - HD2   PRO   52  20.52 +/- 0.38   0.002% *  0.5241% (0.53   0.02   0.02) =   0.000%
        T HA    ILE  103 - HD2   PRO   52  22.73 +/- 0.19   0.001% *  0.8933% (0.90   0.02   0.02) =   0.000%
          HA    GLU-  14 - HD2   PRO   52  25.95 +/- 1.73   0.001% *  0.4466% (0.45   0.02   0.02) =   0.000%
          HA    MET   11 - HD2   PRO   52  33.41 +/- 3.43   0.000% *  0.9939% (1.00   0.02   0.02) =   0.000%
        T HA    THR   39 - HD2   PRO   52  28.08 +/- 0.23   0.000% *  0.4466% (0.45   0.02   0.02) =   0.000%
          HA    ALA   12 - HD2   PRO   52  30.88 +/- 2.48   0.000% *  0.5639% (0.57   0.02   0.02) =   0.000%
          HA    LEU  104 - HD2   PRO   52  24.57 +/- 0.25   0.001% *  0.1537% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 191.0:
      O   HG2   PRO   52 - HD3   PRO   52   2.54 +/- 0.30  98.257% * 98.9770% (0.90   6.60 191.00) =  99.998%  kept
          HG2   MET   92 - HD3   PRO   52   5.64 +/- 0.66   1.730% *  0.1256% (0.38   0.02   0.02) =   0.002%
          QG    GLU- 114 - HD3   PRO   52  13.21 +/- 0.75   0.006% *  0.1500% (0.45   0.02   0.02) =   0.000%
          HB2   GLU-  79 - HD3   PRO   52  14.89 +/- 0.67   0.003% *  0.1760% (0.53   0.02   0.02) =   0.000%
          HB2   PRO   58 - HD3   PRO   52  14.58 +/- 0.22   0.003% *  0.1141% (0.34   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HD3   PRO   52  27.79 +/- 0.54   0.000% *  0.3316% (0.99   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HD3   PRO   52  34.61 +/- 0.50   0.000% *  0.1256% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 5.63, residual support = 191.0:
      O   HG3   PRO   52 - HD3   PRO   52   2.67 +/- 0.30  99.554% * 98.5249% (0.97   5.63 191.00) = 100.000%  kept
        T HB2   PRO   93 - HD3   PRO   52   6.75 +/- 0.17   0.437% *  0.0718% (0.20   0.02   3.57) =   0.000%
          HG2   PRO   58 - HD3   PRO   52  13.04 +/- 0.29   0.009% *  0.3500% (0.97   0.02   0.02) =   0.000%
          HB2   GLU-  14 - HD3   PRO   52  27.21 +/- 2.14   0.000% *  0.3348% (0.92   0.02   0.02) =   0.000%
          HB    VAL   24 - HD3   PRO   52  22.43 +/- 0.93   0.000% *  0.0904% (0.25   0.02   0.02) =   0.000%
          HB2   PRO   68 - HD3   PRO   52  28.09 +/- 1.15   0.000% *  0.1908% (0.53   0.02   0.02) =   0.000%
          QB    GLN   32 - HD3   PRO   52  26.83 +/- 0.47   0.000% *  0.1119% (0.31   0.02   0.02) =   0.000%
          HG2   MET   11 - HD3   PRO   52  35.01 +/- 3.04   0.000% *  0.3253% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2641 (1.85, 3.84, 51.93 ppm):
    14 chemical-shift based assignments, quality = 0.566, support = 6.6, residual support = 191.0:
      O   HB3   PRO   52 - HD3   PRO   52   3.53 +/- 0.00  97.210% * 95.7818% (0.57   6.60 191.00) =  99.989%  kept
          HG2   ARG+  54 - HD3   PRO   52   6.88 +/- 0.42   1.915% *  0.4852% (0.95   0.02   0.02) =   0.010%
          HB    ILE   56 - HD3   PRO   52   7.98 +/- 0.53   0.804% *  0.1279% (0.25   0.02   0.02) =   0.001%
          HB3   GLN   90 - HD3   PRO   52  13.25 +/- 0.46   0.036% *  0.3920% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   PRO   52  14.86 +/- 0.67   0.018% *  0.3523% (0.69   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   PRO   52  16.42 +/- 0.41   0.010% *  0.3318% (0.65   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   PRO   52  20.91 +/- 0.44   0.002% *  0.4735% (0.92   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   PRO   52  24.20 +/- 0.47   0.001% *  0.4950% (0.97   0.02   0.02) =   0.000%
          HG    LEU  123 - HD3   PRO   52  23.95 +/- 0.58   0.001% *  0.2904% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   PRO   52  25.69 +/- 0.32   0.001% *  0.4284% (0.84   0.02   0.02) =   0.000%
          HG3   PRO   68 - HD3   PRO   52  28.08 +/- 0.65   0.000% *  0.5028% (0.98   0.02   0.02) =   0.000%
          HG12  ILE  103 - HD3   PRO   52  23.15 +/- 0.44   0.001% *  0.1583% (0.31   0.02   0.02) =   0.000%
          HB    VAL   41 - HD3   PRO   52  23.45 +/- 0.57   0.001% *  0.1015% (0.20   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   PRO   52  33.23 +/- 0.36   0.000% *  0.0791% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2642 (8.10, 3.84, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 6.08, residual support = 49.0:
          HN    CYS   53 - HD3   PRO   52   3.66 +/- 0.00  99.987% * 99.3003% (0.61   6.08  48.98) = 100.000%  kept
          HN    LEU   80 - HD3   PRO   52  16.90 +/- 0.72   0.011% *  0.2020% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD3   PRO   52  23.47 +/- 0.53   0.001% *  0.3481% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD3   PRO   52  27.51 +/- 0.27   0.001% *  0.1496% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.16 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2643 (9.58, 3.84, 51.93 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 3.95, residual support = 16.1:
          HN    GLY   51 - HD3   PRO   52   2.46 +/- 0.07  99.999% * 99.5263% (0.92   3.95  16.14) = 100.000%  kept
          HN    VAL  107 - HD3   PRO   52  15.82 +/- 0.39   0.001% *  0.4737% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2644 (7.85, 3.98, 51.93 ppm):
    6 chemical-shift based assignments, quality = 0.621, support = 0.02, residual support = 0.02:
          HN    ARG+  54 - HD2   PRO   52   4.37 +/- 0.14  89.444% * 16.5352% (0.61   0.02   0.02) =  87.619%  kept
          HN    PHE   55 - HD2   PRO   52   6.27 +/- 0.15  10.474% * 19.7962% (0.73   0.02   0.02) =  12.284%  kept
          HN    ASP-  62 - HD2   PRO   52  15.03 +/- 0.25   0.055% * 25.1660% (0.92   0.02   0.02) =   0.082%
          HN    ALA   88 - HD2   PRO   52  17.49 +/- 0.26   0.022% *  6.7978% (0.25   0.02   0.02) =   0.009%
          HN    LEU   31 - HD2   PRO   52  23.39 +/- 0.39   0.004% * 26.3097% (0.97   0.02   0.02) =   0.006%
          HN    LYS+  38 - HD2   PRO   52  30.10 +/- 0.26   0.001% *  5.3951% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 20 structures by 0.62 A, eliminated.
    Peak unassigned.
 
    Peak 2645 (8.10, 3.98, 51.93 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 7.19, residual support = 49.0:
          HN    CYS   53 - HD2   PRO   52   2.26 +/- 0.01  99.999% * 99.4075% (0.61   7.19  48.98) = 100.000%  kept
          HN    LEU   80 - HD2   PRO   52  15.77 +/- 0.71   0.001% *  0.1710% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HD2   PRO   52  22.01 +/- 0.51   0.000% *  0.2948% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HD2   PRO   52  25.88 +/- 0.28   0.000% *  0.1267% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2647 (2.79, 3.34, 34.62 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 8.19:
          QB    CYS   50 - HB3   CYS   53   2.30 +/- 0.34  99.490% * 96.8478% (0.92   1.50   8.19) =  99.993%  kept
          QE    LYS+  74 - HB3   CYS   53   6.34 +/- 0.62   0.494% *  1.3233% (0.95   0.02   0.02) =   0.007%
          HB3   ASP-  78 - HB3   CYS   53  10.67 +/- 0.71   0.013% *  0.7920% (0.57   0.02   0.02) =   0.000%
          HB2   PHE   72 - HB3   CYS   53  14.31 +/- 0.92   0.003% *  0.2450% (0.18   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB3   CYS   53  24.80 +/- 0.83   0.000% *  0.7920% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 8.19:
        T QB    CYS   50 - HB2   CYS   53   2.30 +/- 0.26  99.783% * 96.3763% (0.92   1.50   8.19) =  99.997%  kept
          QE    LYS+  74 - HB2   CYS   53   6.67 +/- 0.60   0.207% *  1.2484% (0.90   0.02   0.02) =   0.003%
          HB3   ASP-  78 - HB2   CYS   53  11.45 +/- 0.80   0.008% *  0.2438% (0.18   0.02   0.02) =   0.000%
          HB2   PHE   72 - HB2   CYS   53  14.37 +/- 0.80   0.002% *  0.7881% (0.57   0.02   0.02) =   0.000%
          HB3   ASN   69 - HB2   CYS   53  24.79 +/- 0.66   0.000% *  1.3434% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2650 (1.26, 4.17, 63.73 ppm):
    10 chemical-shift based assignments, quality = 0.946, support = 0.02, residual support = 0.02:
        T QG2   ILE   56 - HA    CYS   53   2.05 +/- 0.25  99.972% * 14.3765% (0.95   0.02   0.02) =  99.980%  kept
          QB    ALA   91 - HA    CYS   53  10.06 +/- 1.05   0.016% * 13.6298% (0.90   0.02   0.02) =   0.015%
          HG2   LYS+  74 - HA    CYS   53   9.50 +/- 0.63   0.011% *  5.1841% (0.34   0.02   0.02) =   0.004%
          QB    ALA   34 - HA    CYS   53  18.14 +/- 0.27   0.000% * 12.1694% (0.80   0.02   0.02) =   0.000%
        T HG13  ILE   19 - HA    CYS   53  17.79 +/- 0.48   0.000% *  8.6043% (0.57   0.02   0.02) =   0.000%
          QG2   THR   39 - HA    CYS   53  19.30 +/- 0.35   0.000% * 13.6298% (0.90   0.02   0.02) =   0.000%
          QG2   THR   23 - HA    CYS   53  17.37 +/- 0.36   0.000% *  6.8136% (0.45   0.02   0.02) =   0.000%
        T HG    LEU   71 - HA    CYS   53  20.08 +/- 0.84   0.000% *  4.6908% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HA    CYS   53  24.12 +/- 0.73   0.000% *  5.7039% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HA    CYS   53  29.33 +/- 0.60   0.000% * 15.1978% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2651 (8.10, 4.17, 63.73 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.92, residual support = 41.9:
      O   HN    CYS   53 - HA    CYS   53   2.74 +/- 0.03  99.997% * 99.1352% (0.61   4.92  41.93) = 100.000%  kept
          HN    LEU   80 - HA    CYS   53  16.72 +/- 0.74   0.002% *  0.2496% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HA    CYS   53  21.48 +/- 0.40   0.000% *  0.4302% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    CYS   53  23.18 +/- 0.31   0.000% *  0.1849% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2652 (8.10, 3.83, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 5.05, residual support = 41.9:
      O   HN    CYS   53 - HB2   CYS   53   2.86 +/- 0.26  99.995% * 99.1578% (0.61   5.05  41.93) = 100.000%  kept
          HN    LEU   80 - HB2   CYS   53  15.80 +/- 0.80   0.004% *  0.2431% (0.38   0.02   0.02) =   0.000%
          HN    THR   26 - HB2   CYS   53  20.44 +/- 0.71   0.001% *  0.4190% (0.65   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   CYS   53  23.35 +/- 0.58   0.000% *  0.1801% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 5.23, residual support = 30.5:
          HN    ARG+  54 - HB2   CYS   53   3.23 +/- 0.09  94.771% * 98.9340% (0.97   5.23  30.50) =  99.993%  kept
          HN    PHE   55 - HB2   CYS   53   5.26 +/- 0.19   5.170% *  0.1211% (0.31   0.02   0.02) =   0.007%
          HN    ASP-  62 - HB2   CYS   53  11.18 +/- 0.41   0.058% *  0.3711% (0.95   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   CYS   53  21.35 +/- 0.70   0.001% *  0.3518% (0.90   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   CYS   53  27.62 +/- 0.56   0.000% *  0.2221% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2654 (7.87, 3.34, 34.62 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 5.07, residual support = 30.5:
          HN    ARG+  54 - HB3   CYS   53   3.85 +/- 0.07  99.849% * 99.1258% (0.87   5.07  30.50) = 100.000%  kept
          HN    ASP-  62 - HB3   CYS   53  11.63 +/- 0.70   0.146% *  0.2371% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   CYS   53  20.78 +/- 0.60   0.004% *  0.2021% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   CYS   53  27.14 +/- 0.59   0.001% *  0.4350% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2655 (1.61, 3.34, 43.59 ppm):
    5 chemical-shift based assignments, quality = 0.867, support = 4.74, residual support = 162.2:
      O T HG3   ARG+  54 - HD2   ARG+  54   2.81 +/- 0.20  96.624% * 99.3629% (0.87   4.74 162.20) =  99.997%  kept
          QB    ALA   57 - HD2   ARG+  54   5.57 +/- 0.83   3.373% *  0.0957% (0.20   0.02   0.02) =   0.003%
          HD3   LYS+ 111 - HD2   ARG+  54  16.70 +/- 1.17   0.003% *  0.1077% (0.22   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   ARG+  54  24.06 +/- 1.27   0.000% *  0.2168% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   ARG+  54  27.03 +/- 1.08   0.000% *  0.2168% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 3.58, residual support = 162.2:
      O T HD2   ARG+  54 - HD3   ARG+  54   1.75 +/- 0.00  99.827% * 98.2841% (0.87   3.58 162.20) =  99.999%  kept
          QB    PHE   55 - HD3   ARG+  54   6.15 +/- 1.17   0.157% *  0.3083% (0.49   0.02   2.99) =   0.000%
          HB3   CYS   53 - HD3   ARG+  54   7.87 +/- 0.54   0.013% *  0.5071% (0.80   0.02  30.50) =   0.000%
          HD3   PRO   93 - HD3   ARG+  54  11.06 +/- 1.08   0.002% *  0.3841% (0.61   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD3   ARG+  54  12.41 +/- 0.54   0.001% *  0.1579% (0.25   0.02   0.02) =   0.000%
          HD3   PRO   68 - HD3   ARG+  54  23.98 +/- 1.13   0.000% *  0.3585% (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 = 3.58, residual support = 162.2:
      O T HD3   ARG+  54 - HD2   ARG+  54   1.75 +/- 0.00 100.000% * 99.5164% (1.00   3.58 162.20) = 100.000%  kept
          HB3   HIS   22 - HD2   ARG+  54  22.85 +/- 1.26   0.000% *  0.4836% (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 = 162.2:
      O T HG3   ARG+  54 - HD3   ARG+  54   2.79 +/- 0.23  97.683% * 99.1953% (0.87   3.74 162.20) =  99.997%  kept
          QB    ALA   57 - HD3   ARG+  54   5.85 +/- 0.88   2.314% *  0.1209% (0.20   0.02   0.02) =   0.003%
          HD3   LYS+ 111 - HD3   ARG+  54  16.86 +/- 1.67   0.003% *  0.1360% (0.22   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   ARG+  54  24.54 +/- 1.31   0.000% *  0.2739% (0.45   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   ARG+  54  26.97 +/- 1.29   0.000% *  0.2739% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2659 (1.88, 3.25, 43.59 ppm):
    13 chemical-shift based assignments, quality = 0.487, support = 4.14, residual support = 162.2:
      O T HG2   ARG+  54 - HD3   ARG+  54   2.43 +/- 0.24  99.943% * 92.5613% (0.49   4.14 162.20) = 100.000%  kept
          HB    ILE   56 - HD3   ARG+  54   9.40 +/- 0.71   0.038% *  0.9113% (0.99   0.02   0.02) =   0.000%
          HB3   PRO   58 - HD3   ARG+  54  11.45 +/- 0.95   0.013% *  0.3780% (0.41   0.02   0.02) =   0.000%
          HB2   MET   92 - HD3   ARG+  54  14.37 +/- 1.43   0.004% *  0.5576% (0.61   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HD3   ARG+  54  20.21 +/- 0.86   0.000% *  0.7680% (0.84   0.02   0.02) =   0.000%
          QB    LYS+  81 - HD3   ARG+  54  20.83 +/- 0.89   0.000% *  0.7362% (0.80   0.02   0.02) =   0.000%
          HB3   GLN   90 - HD3   ARG+  54  20.60 +/- 0.95   0.000% *  0.6676% (0.73   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HD3   ARG+  54  23.08 +/- 0.81   0.000% *  0.4837% (0.53   0.02   0.02) =   0.000%
          HB3   GLN   30 - HD3   ARG+  54  25.61 +/- 1.02   0.000% *  0.7026% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  33 - HD3   ARG+  54  27.02 +/- 0.97   0.000% *  0.5948% (0.65   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HD3   ARG+  54  26.22 +/- 1.19   0.000% *  0.3780% (0.41   0.02   0.02) =   0.000%
          HB    ILE  103 - HD3   ARG+  54  28.33 +/- 0.78   0.000% *  0.4122% (0.45   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HD3   ARG+  54  34.96 +/- 0.83   0.000% *  0.8487% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 4.07, residual support = 162.2:
      O   HB2   ARG+  54 - HD3   ARG+  54   3.30 +/- 0.38  99.881% * 95.6042% (0.73   4.07 162.20) = 100.000%  kept
          HB2   PRO   93 - HD3   ARG+  54  10.92 +/- 0.73   0.093% *  0.2659% (0.41   0.02   0.02) =   0.000%
          HB    ILE  119 - HD3   ARG+  54  18.40 +/- 1.00   0.004% *  0.6242% (0.97   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HD3   ARG+  54  15.98 +/- 1.43   0.011% *  0.2206% (0.34   0.02   0.02) =   0.000%
          HB    VAL  108 - HD3   ARG+  54  18.91 +/- 1.26   0.003% *  0.5179% (0.80   0.02   0.02) =   0.000%
          HB2   GLN   17 - HD3   ARG+  54  19.12 +/- 1.73   0.004% *  0.1798% (0.28   0.02   0.02) =   0.000%
          HG3   GLN   30 - HD3   ARG+  54  25.80 +/- 1.29   0.001% *  0.6242% (0.97   0.02   0.02) =   0.000%
          HB2   GLN   30 - HD3   ARG+  54  25.77 +/- 1.06   0.001% *  0.6242% (0.97   0.02   0.02) =   0.000%
          HB3   PRO   68 - HD3   ARG+  54  25.76 +/- 1.70   0.001% *  0.4184% (0.65   0.02   0.02) =   0.000%
          QB    GLU-  15 - HD3   ARG+  54  23.81 +/- 1.45   0.001% *  0.1798% (0.28   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HD3   ARG+  54  34.80 +/- 0.89   0.000% *  0.6410% (0.99   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HD3   ARG+  54  29.18 +/- 1.21   0.000% *  0.0998% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2661 (1.86, 1.60, 27.63 ppm):
    14 chemical-shift based assignments, quality = 0.923, support = 5.23, residual support = 162.2:
      O T HG2   ARG+  54 - HG3   ARG+  54   1.75 +/- 0.00  99.952% * 96.5177% (0.92   5.23 162.20) = 100.000%  kept
          HB    ILE   56 - HG3   ARG+  54   8.27 +/- 0.96   0.014% *  0.2587% (0.65   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG3   ARG+  54   7.53 +/- 1.14   0.033% *  0.0791% (0.20   0.02   0.02) =   0.000%
          HB2   MET   92 - HG3   ARG+  54  13.23 +/- 1.52   0.001% *  0.0791% (0.20   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HG3   ARG+  54  19.21 +/- 0.92   0.000% *  0.3919% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   90 - HG3   ARG+  54  19.51 +/- 0.80   0.000% *  0.3999% (1.00   0.02   0.02) =   0.000%
          QB    LYS+  81 - HG3   ARG+  54  19.97 +/- 0.73   0.000% *  0.3963% (0.99   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HG3   ARG+  54  22.10 +/- 0.91   0.000% *  0.3783% (0.95   0.02   0.02) =   0.000%
        T HG3   PRO   68 - HG3   ARG+  54  25.80 +/- 1.07   0.000% *  0.3469% (0.87   0.02   0.02) =   0.000%
        T QB    LYS+  33 - HG3   ARG+  54  26.36 +/- 0.90   0.000% *  0.3963% (0.99   0.02   0.02) =   0.000%
          HB    ILE  103 - HG3   ARG+  54  27.23 +/- 0.97   0.000% *  0.3586% (0.90   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   ARG+  54  21.82 +/- 1.00   0.000% *  0.0791% (0.20   0.02   0.02) =   0.000%
          HB3   GLN   30 - HG3   ARG+  54  24.80 +/- 1.00   0.000% *  0.1234% (0.31   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HG3   ARG+  54  34.13 +/- 0.87   0.000% *  0.1946% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.56 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 = 5.16, residual support = 162.2:
      O   HB2   ARG+  54 - HG3   ARG+  54   2.67 +/- 0.16  99.987% * 91.7837% (0.31   5.16 162.20) = 100.000%  kept
          HB2   LYS+ 111 - HG3   ARG+  54  15.04 +/- 1.37   0.004% *  0.8807% (0.76   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   ARG+  54  17.70 +/- 1.04   0.001% *  0.6990% (0.61   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   ARG+  54  15.76 +/- 1.56   0.004% *  0.2281% (0.20   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   ARG+  54  18.78 +/- 1.59   0.001% *  0.7916% (0.69   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   ARG+  54  17.78 +/- 1.19   0.001% *  0.4325% (0.38   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG3   ARG+  54  23.41 +/- 1.43   0.000% *  0.7916% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   ARG+  54  25.36 +/- 1.46   0.000% *  1.1296% (0.98   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   ARG+  54  25.09 +/- 1.14   0.000% *  1.0336% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   ARG+  54  24.99 +/- 1.03   0.000% *  0.6990% (0.61   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   ARG+  54  20.79 +/- 1.17   0.000% *  0.1778% (0.15   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   ARG+  54  28.47 +/- 1.11   0.000% *  0.5610% (0.49   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   ARG+  54  33.86 +/- 0.85   0.000% *  0.7916% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 162.2:
      O   HA    ARG+  54 - HG3   ARG+  54   3.29 +/- 0.63  99.973% * 98.2231% (1.00   4.76 162.20) = 100.000%  kept
          HA    LEU  115 - HG3   ARG+  54  15.82 +/- 1.24   0.017% *  0.2502% (0.61   0.02   0.02) =   0.000%
          HA    LYS+  81 - HG3   ARG+  54  20.96 +/- 0.77   0.002% *  0.2668% (0.65   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   ARG+  54  18.49 +/- 1.40   0.007% *  0.0722% (0.18   0.02   0.02) =   0.000%
          HA    ALA  124 - HG3   ARG+  54  28.53 +/- 0.94   0.000% *  0.4043% (0.98   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   ARG+  54  27.66 +/- 1.03   0.000% *  0.2668% (0.65   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   ARG+  54  29.17 +/- 0.96   0.000% *  0.1849% (0.45   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   ARG+  54  31.24 +/- 1.53   0.000% *  0.1147% (0.28   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   ARG+  54  35.37 +/- 0.94   0.000% *  0.2170% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2665 (3.26, 1.60, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.764, support = 3.74, residual support = 162.2:
      O T HD3   ARG+  54 - HG3   ARG+  54   2.79 +/- 0.23  99.999% * 99.7134% (0.76   3.74 162.20) = 100.000%  kept
          HB3   HIS   22 - HG3   ARG+  54  21.85 +/- 1.39   0.001% *  0.2866% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.85, support = 4.69, residual support = 155.1:
      O T HD2   ARG+  54 - HG3   ARG+  54   2.81 +/- 0.20  89.815% * 69.0618% (0.87   4.74 162.20) =  95.528%  kept
          QB    PHE   55 - HG3   ARG+  54   5.39 +/- 1.25   9.613% * 30.1910% (0.49   3.69   2.99) =   4.470%  kept
          HB3   CYS   53 - HG3   ARG+  54   6.81 +/- 0.41   0.490% *  0.2692% (0.80   0.02  30.50) =   0.002%
          HD3   PRO   93 - HG3   ARG+  54   9.88 +/- 0.95   0.061% *  0.2039% (0.61   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   ARG+  54  11.56 +/- 0.92   0.021% *  0.0838% (0.25   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   ARG+  54  23.50 +/- 1.09   0.000% *  0.1903% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 6.51, residual support = 162.2:
          HN    ARG+  54 - HG3   ARG+  54   3.51 +/- 0.44  99.955% * 99.3176% (0.87   6.51 162.20) = 100.000%  kept
          HN    ASP-  62 - HG3   ARG+  54  13.50 +/- 1.01   0.044% *  0.1851% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   ARG+  54  26.89 +/- 0.99   0.001% *  0.1578% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   ARG+  54  32.69 +/- 0.89   0.000% *  0.3396% (0.97   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2668 (1.61, 1.86, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.867, support = 5.23, residual support = 162.2:
      O T HG3   ARG+  54 - HG2   ARG+  54   1.75 +/- 0.00  99.691% * 99.1692% (0.87   5.23 162.20) = 100.000%  kept
          QB    ALA   57 - HG2   ARG+  54   4.76 +/- 0.47   0.304% *  0.0865% (0.20   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG3   PRO   68  11.35 +/- 2.37   0.004% *  0.0523% (0.12   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG2   ARG+  54  15.85 +/- 1.53   0.000% *  0.0973% (0.22   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG3   PRO   68  14.38 +/- 1.74   0.000% *  0.0523% (0.12   0.02   0.02) =   0.000%
        T HB3   LEU  123 - HG2   ARG+  54  23.60 +/- 1.33   0.000% *  0.1960% (0.45   0.02   0.02) =   0.000%
          QB    ALA   57 - HG3   PRO   68  16.37 +/- 0.36   0.000% *  0.0231% (0.05   0.02   0.02) =   0.000%
        T QD    LYS+  33 - HG2   ARG+  54  25.60 +/- 0.98   0.000% *  0.1960% (0.45   0.02   0.02) =   0.000%
        T HG3   ARG+  54 - HG3   PRO   68  25.80 +/- 1.07   0.000% *  0.1012% (0.23   0.02   0.02) =   0.000%
        T HD3   LYS+ 111 - HG3   PRO   68  26.68 +/- 1.93   0.000% *  0.0260% (0.06   0.02   0.02) =   0.000%
    Distance limit 2.55 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 = 0.151, support = 3.13, residual support = 35.6:
      O   HG2   PRO   68 - HG3   PRO   68   1.75 +/- 0.00  89.833% * 18.1565% (0.12   2.36  35.64) =  69.584%  kept
      O   HB3   PRO   68 - HG3   PRO   68   2.63 +/- 0.33  10.159% * 70.1823% (0.22   4.90  35.64) =  30.416%  kept
          QB    GLU-  15 - HG3   PRO   68   9.76 +/- 1.70   0.005% *  0.3425% (0.27   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG2   ARG+  54  14.84 +/- 1.44   0.000% *  1.2835% (1.00   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG3   PRO   68  12.83 +/- 1.60   0.001% *  0.3425% (0.27   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG2   ARG+  54  15.47 +/- 1.62   0.000% *  0.7802% (0.61   0.02   0.02) =   0.000%
          HB2   GLN   17 - HG2   ARG+  54  18.04 +/- 1.29   0.000% *  1.2835% (1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - HG3   PRO   68  14.82 +/- 0.75   0.000% *  0.1806% (0.14   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   68  14.06 +/- 1.89   0.001% *  0.0679% (0.05   0.02   0.02) =   0.000%
          HB    ILE   19 - HG2   ARG+  54  19.93 +/- 1.00   0.000% *  0.6768% (0.53   0.02   0.02) =   0.000%
          HB    ILE  119 - HG2   ARG+  54  17.29 +/- 1.19   0.000% *  0.2546% (0.20   0.02   0.02) =   0.000%
          QB    GLU-  15 - HG2   ARG+  54  22.73 +/- 1.04   0.000% *  1.2835% (1.00   0.02   0.02) =   0.000%
          QB    GLU- 114 - HG3   PRO   68  19.32 +/- 1.97   0.000% *  0.2082% (0.16   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG2   ARG+  54  24.70 +/- 1.28   0.000% *  1.0745% (0.84   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG3   PRO   68  18.47 +/- 0.74   0.000% *  0.1539% (0.12   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   68  16.83 +/- 0.52   0.000% *  0.0679% (0.05   0.02   0.02) =   0.000%
          HG3   GLN   30 - HG2   ARG+  54  24.20 +/- 1.09   0.000% *  0.5767% (0.45   0.02   0.02) =   0.000%
          HG2   PRO   68 - HG2   ARG+  54  24.27 +/- 1.08   0.000% *  0.5767% (0.45   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   68  18.18 +/- 1.71   0.000% *  0.0856% (0.07   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG2   ARG+  54  27.61 +/- 1.27   0.000% *  1.1875% (0.92   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HG3   PRO   68  23.82 +/- 1.85   0.000% *  0.3425% (0.27   0.02   0.02) =   0.000%
        T HB2   GLN   30 - HG2   ARG+  54  24.12 +/- 0.88   0.000% *  0.2546% (0.20   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HG3   PRO   68  27.60 +/- 0.87   0.000% *  0.3169% (0.25   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG2   ARG+  54  33.08 +/- 0.70   0.000% *  0.3208% (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 = 0.719, support = 4.82, residual support = 129.5:
      O T HD2   ARG+  54 - HG2   ARG+  54   2.87 +/- 0.14  38.575% * 63.4790% (0.87   4.97 162.20) =  75.980%  kept
      O   HD3   PRO   68 - HG3   PRO   68   2.73 +/- 0.28  51.664% * 10.5518% (0.15   4.74  35.64) =  16.916%  kept
          QB    PHE   55 - HG2   ARG+  54   5.30 +/- 1.51   9.124% * 25.0773% (0.49   3.50   2.99) =   7.100%  kept
          HB3   CYS   53 - HG2   ARG+  54   5.97 +/- 0.62   0.591% *  0.2360% (0.80   0.02  30.50) =   0.004%
          HD3   PRO   93 - HG2   ARG+  54   9.44 +/- 0.53   0.031% *  0.1788% (0.61   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  10.98 +/- 0.78   0.013% *  0.0735% (0.25   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  22.86 +/- 0.62   0.000% *  0.1669% (0.57   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  16.31 +/- 1.06   0.001% *  0.0196% (0.07   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  21.00 +/- 0.74   0.000% *  0.0383% (0.13   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  23.01 +/- 0.76   0.000% *  0.0630% (0.21   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  25.92 +/- 1.11   0.000% *  0.0682% (0.23   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  25.59 +/- 0.99   0.000% *  0.0477% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2671 (3.27, 1.86, 27.63 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 4.14, residual support = 162.2:
      O T HD3   ARG+  54 - HG2   ARG+  54   2.43 +/- 0.24 100.000% * 99.8712% (0.31   4.14 162.20) = 100.000%  kept
        T HD3   ARG+  54 - HG3   PRO   68  26.22 +/- 1.19   0.000% *  0.1288% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2672 (4.11, 1.86, 27.63 ppm):
    18 chemical-shift based assignments, quality = 1.0, support = 5.0, residual support = 162.2:
      O T HA    ARG+  54 - HG2   ARG+  54   2.76 +/- 0.54  99.689% * 97.7601% (1.00   5.00 162.20) = 100.000%  kept
          HA    ALA  124 - HG3   PRO   68  11.19 +/- 2.88   0.274% *  0.1023% (0.26   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG2   ARG+  54  15.37 +/- 1.28   0.012% *  0.2373% (0.61   0.02   0.02) =   0.000%
          HA    ALA   34 - HG3   PRO   68  14.49 +/- 0.64   0.009% *  0.0468% (0.12   0.02   0.02) =   0.000%
        T HA    LEU  115 - HG3   PRO   68  17.51 +/- 1.90   0.005% *  0.0633% (0.16   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG2   ARG+  54  18.21 +/- 1.50   0.004% *  0.0685% (0.18   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG2   ARG+  54  20.27 +/- 0.99   0.001% *  0.2531% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG3   PRO   68  19.50 +/- 0.79   0.001% *  0.0549% (0.14   0.02   0.02) =   0.000%
          HA    ALA  124 - HG2   ARG+  54  28.05 +/- 1.01   0.000% *  0.3835% (0.98   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HG3   PRO   68  22.99 +/- 0.53   0.001% *  0.1044% (0.27   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG3   PRO   68  19.99 +/- 1.81   0.002% *  0.0290% (0.07   0.02   0.02) =   0.000%
          HA    ASN   28 - HG2   ARG+  54  26.79 +/- 1.06   0.000% *  0.2531% (0.65   0.02   0.02) =   0.000%
          HA    ASN   28 - HG3   PRO   68  22.44 +/- 0.62   0.001% *  0.0675% (0.17   0.02   0.02) =   0.000%
          HA    GLU- 114 - HG3   PRO   68  21.19 +/- 2.20   0.001% *  0.0183% (0.05   0.02   0.02) =   0.000%
          HA    ALA   34 - HG2   ARG+  54  28.32 +/- 0.63   0.000% *  0.1754% (0.45   0.02   0.02) =   0.000%
          HA1   GLY  101 - HG2   ARG+  54  30.45 +/- 1.53   0.000% *  0.1088% (0.28   0.02   0.02) =   0.000%
          HA    GLU-  36 - HG2   ARG+  54  34.51 +/- 0.67   0.000% *  0.2059% (0.53   0.02   0.02) =   0.000%
        T HA    LYS+  81 - HG3   PRO   68  29.41 +/- 0.76   0.000% *  0.0675% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.84 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 = 6.67, residual support = 162.2:
          HN    ARG+  54 - HG2   ARG+  54   2.99 +/- 0.30  99.950% * 99.0787% (0.87   6.67 162.20) = 100.000%  kept
          HN    ASP-  62 - HG2   ARG+  54  12.92 +/- 0.61   0.021% *  0.1803% (0.53   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG3   PRO   68  12.64 +/- 0.38   0.021% *  0.0481% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG3   PRO   68  16.27 +/- 0.94   0.005% *  0.0883% (0.26   0.02   0.02) =   0.000%
          HN    LEU   31 - HG3   PRO   68  19.65 +/- 0.42   0.001% *  0.0410% (0.12   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   ARG+  54  26.01 +/- 0.90   0.000% *  0.1536% (0.45   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG3   PRO   68  24.31 +/- 0.51   0.000% *  0.0793% (0.23   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   ARG+  54  31.86 +/- 0.60   0.000% *  0.3307% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2674 (1.63, 1.95, 30.44 ppm):
    7 chemical-shift based assignments, quality = 0.96, support = 0.0199, residual support = 0.0199:
          QB    ALA   57 - HB3   ARG+  54   4.93 +/- 0.47  99.272% * 19.4000% (0.97   0.02   0.02) =  99.429%  kept
          HD3   LYS+ 111 - HB3   ARG+  54  14.78 +/- 1.31   0.309% * 19.7041% (0.98   0.02   0.02) =   0.314%
          HD2   LYS+  74 - HB3   ARG+  54  13.25 +/- 0.65   0.292% * 14.5972% (0.73   0.02   0.02) =   0.220%
          QD    LYS+  65 - HB3   ARG+  54  16.02 +/- 0.95   0.096% *  3.5205% (0.18   0.02   0.02) =   0.017%
          HB3   LEU  123 - HB3   ARG+  54  23.21 +/- 0.98   0.011% * 19.4000% (0.97   0.02   0.02) =   0.011%
          QD    LYS+  33 - HB3   ARG+  54  26.12 +/- 0.94   0.005% * 19.4000% (0.97   0.02   0.02) =   0.005%
          HB2   LYS+ 121 - HB3   ARG+  54  21.95 +/- 0.71   0.015% *  3.9782% (0.20   0.02   0.02) =   0.003%
    Distance limit 3.08 A violated in 20 structures by 1.85 A, eliminated.
    Peak unassigned.
 
    Peak 2675 (7.87, 1.95, 30.44 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 4.45, residual support = 162.2:
      O   HN    ARG+  54 - HB3   ARG+  54   2.50 +/- 0.57  99.985% * 99.0044% (0.87   4.45 162.20) = 100.000%  kept
          HN    ASP-  62 - HB3   ARG+  54  12.92 +/- 0.52   0.014% *  0.2701% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ARG+  54  26.50 +/- 0.58   0.000% *  0.2301% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ARG+  54  32.12 +/- 0.37   0.000% *  0.4954% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2676 (7.87, 2.05, 30.44 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 6.46, residual support = 162.2:
      O   HN    ARG+  54 - HB2   ARG+  54   3.14 +/- 0.54  99.891% * 99.0728% (0.87   6.46 162.20) = 100.000%  kept
          HN    ASP-  62 - HB2   ARG+  54  12.67 +/- 0.47   0.034% *  0.1859% (0.53   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   GLU-  14  13.90 +/- 2.38   0.040% *  0.0233% (0.07   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   GLU-  14  16.78 +/- 2.14   0.010% *  0.0502% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  38 - HG2   MET   11  20.40 +/- 4.74   0.007% *  0.0330% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  62 - HB2   GLU-  14  17.10 +/- 1.42   0.006% *  0.0273% (0.08   0.02   0.02) =   0.000%
          HN    LEU   31 - HG2   MET   11  19.12 +/- 4.72   0.011% *  0.0153% (0.04   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ARG+  54  26.84 +/- 0.76   0.000% *  0.1584% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ARG+  54  32.30 +/- 0.49   0.000% *  0.3410% (0.97   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB2   GLU-  14  24.29 +/- 2.09   0.001% *  0.0451% (0.13   0.02   0.02) =   0.000%
          HN    ASP-  62 - HG2   MET   11  25.14 +/- 1.80   0.001% *  0.0180% (0.05   0.02   0.02) =   0.000%
          HN    ARG+  54 - HG2   MET   11  32.19 +/- 2.64   0.000% *  0.0296% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.10 A, kept.
 
    Peak 2677 (7.27, 4.11, 59.18 ppm):
    10 chemical-shift based assignments, quality = 0.246, support = 1.5, residual support = 20.0:
          QE    PHE   59 - HA    LEU  115   2.48 +/- 0.36  99.506% * 83.3682% (0.25   1.50  19.98) =  99.992%  kept
          HN    PHE   59 - HA    ARG+  54   7.84 +/- 0.41   0.145% *  1.8547% (0.41   0.02   0.02) =   0.003%
          QD    PHE   60 - HA    ARG+  54   9.54 +/- 0.85   0.057% *  2.5542% (0.57   0.02   0.02) =   0.002%
          HN    PHE   59 - HA    LEU  115   7.62 +/- 0.54   0.206% *  0.5707% (0.13   0.02  19.98) =   0.001%
          QD    PHE   60 - HA    LEU  115   9.00 +/- 0.51   0.063% *  0.7859% (0.17   0.02   0.02) =   0.001%
          QE    PHE   59 - HA    ARG+  54  11.75 +/- 0.45   0.013% *  3.6125% (0.80   0.02   0.02) =   0.001%
          HN    LYS+  66 - HA    LEU  115  12.68 +/- 0.27   0.007% *  1.3607% (0.30   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    ARG+  54  16.08 +/- 0.44   0.002% *  4.4221% (0.98   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    ARG+  54  21.10 +/- 0.62   0.000% *  1.1249% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LEU  115  23.21 +/- 0.40   0.000% *  0.3461% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 0.946, support = 6.25, residual support = 157.6:
      O   HN    ARG+  54 - HA    ARG+  54   2.70 +/- 0.01  84.345% * 85.4113% (0.97   6.34 162.20) =  97.143%  kept
      O   HN    PHE   55 - HA    ARG+  54   3.58 +/- 0.03  15.579% * 13.5995% (0.31   3.16   2.99) =   2.857%  kept
          HN    ASP-  62 - HA    ARG+  54  10.67 +/- 0.49   0.023% *  0.2642% (0.95   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    LEU  115  10.08 +/- 0.43   0.033% *  0.0813% (0.29   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    LEU  115  13.56 +/- 0.36   0.005% *  0.0829% (0.30   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    LEU  115  11.61 +/- 0.40   0.014% *  0.0265% (0.09   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ARG+  54  24.56 +/- 0.70   0.000% *  0.2504% (0.90   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    LEU  115  22.12 +/- 0.31   0.000% *  0.0771% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    LEU  115  23.51 +/- 0.34   0.000% *  0.0486% (0.17   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ARG+  54  30.03 +/- 0.56   0.000% *  0.1581% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 4.28, residual support = 15.2:
          HN    ILE   56 - QB    PHE   55   2.92 +/- 0.31  98.837% * 97.4392% (0.57   4.28  15.20) =  99.998%  kept
          HN    LYS+ 111 - QB    PHE   55   6.28 +/- 0.83   1.098% *  0.1792% (0.22   0.02   0.02) =   0.002%
          HN    LEU   63 - QB    PHE   55  11.38 +/- 0.28   0.036% *  0.5528% (0.69   0.02   0.02) =   0.000%
          QE    PHE   60 - QB    PHE   55  11.70 +/- 0.45   0.027% *  0.2007% (0.25   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QB    PHE   55  21.20 +/- 0.68   0.001% *  0.6722% (0.84   0.02   0.02) =   0.000%
          HN    ALA   84 - QB    PHE   55  19.12 +/- 0.75   0.001% *  0.1792% (0.22   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    PHE   55  26.62 +/- 0.66   0.000% *  0.7767% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2680 (7.85, 3.33, 38.95 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.03, residual support = 19.3:
      O   HN    PHE   55 - QB    PHE   55   2.13 +/- 0.18  98.869% * 97.3916% (0.73   3.03  19.33) =  99.994%  kept
          HN    ARG+  54 - QB    PHE   55   4.49 +/- 0.27   1.121% *  0.5378% (0.61   0.02   2.99) =   0.006%
          HN    ASP-  62 - QB    PHE   55  10.32 +/- 0.32   0.010% *  0.8184% (0.92   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    PHE   55  23.45 +/- 0.37   0.000% *  0.8556% (0.97   0.02   0.02) =   0.000%
          HN    ALA   88 - QB    PHE   55  19.02 +/- 0.67   0.000% *  0.2211% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    PHE   55  27.36 +/- 0.35   0.000% *  0.1755% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 0.862, support = 0.0196, residual support = 0.0196:
          QD    PHE   60 - QB    PHE   55   9.93 +/- 0.41  89.117% * 36.5548% (0.90   0.02   0.02) =  94.394%  kept
          HN    LYS+  66 - QB    PHE   55  15.02 +/- 0.39   7.755% * 16.7569% (0.41   0.02   0.02) =   3.765%  kept
          HN    LYS+  81 - QB    PHE   55  20.23 +/- 0.77   1.285% * 40.3993% (0.99   0.02   0.02) =   1.505%
          HE3   TRP   27 - QB    PHE   55  19.02 +/- 0.39   1.843% *  6.2891% (0.15   0.02   0.02) =   0.336%
    Distance limit 3.25 A violated in 20 structures by 6.55 A, eliminated.
    Peak unassigned.
 
    Peak 2682 (7.61, 1.88, 41.57 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 5.99, residual support = 112.6:
      O   HN    ILE   56 - HB    ILE   56   2.35 +/- 0.10  99.967% * 96.3220% (0.25   5.99 112.56) = 100.000%  kept
          QE    PHE   60 - HB    ILE   56  10.00 +/- 0.43   0.019% *  0.7298% (0.57   0.02   0.02) =   0.000%
          HN    LEU   63 - HB    ILE   56  10.51 +/- 0.22   0.013% *  0.4397% (0.34   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB    ILE   56  19.65 +/- 0.52   0.000% *  1.2891% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB    ILE   56  25.96 +/- 0.60   0.000% *  1.2194% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.599, support = 1.86, residual support = 8.94:
          QD    PHE   55 - HB    ILE   56   4.72 +/- 0.44  41.182% * 61.5611% (0.41   2.74  15.20) =  55.808%  kept
          QE    PHE   95 - HB    ILE   56   4.43 +/- 0.09  58.545% * 34.2868% (0.84   0.75   1.04) =  44.187%  kept
          HD1   TRP   49 - HB    ILE   56  11.37 +/- 0.53   0.212% *  0.8366% (0.76   0.02   0.02) =   0.004%
          HN    LEU   67 - HB    ILE   56  16.10 +/- 0.24   0.026% *  1.0849% (0.99   0.02   0.02) =   0.001%
          HD2   HIS   22 - HB    ILE   56  18.64 +/- 1.77   0.012% *  0.6639% (0.61   0.02   0.02) =   0.000%
          HN    THR   23 - HB    ILE   56  20.26 +/- 0.35   0.006% *  0.9495% (0.87   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB    ILE   56  17.43 +/- 0.28   0.016% *  0.3734% (0.34   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB    ILE   56  27.40 +/- 0.79   0.001% *  0.2437% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 3.9, residual support = 112.6:
      O T QD1   ILE   56 - HB    ILE   56   2.32 +/- 0.07  99.995% * 98.7142% (0.87   3.90 112.56) = 100.000%  kept
          QD2   LEU   73 - HB    ILE   56  14.27 +/- 0.93   0.002% *  0.3543% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 121 - HB    ILE   56  17.26 +/- 0.54   0.001% *  0.5239% (0.90   0.02   0.02) =   0.000%
        T QD2   LEU  123 - HB    ILE   56  14.45 +/- 0.62   0.002% *  0.1457% (0.25   0.02   0.02) =   0.000%
          HG    LEU   31 - HB    ILE   56  21.20 +/- 0.59   0.000% *  0.2619% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 3.44, residual support = 112.6:
      O T QD1   ILE   56 - QG1   ILE   56   1.92 +/- 0.01  99.994% * 98.5461% (0.87   3.44 112.56) = 100.000%  kept
        T QD2   LEU   73 - QG1   ILE   56  11.69 +/- 0.84   0.002% *  0.4006% (0.61   0.02   0.02) =   0.000%
        T HG3   LYS+ 121 - QG1   ILE   56  13.14 +/- 0.47   0.001% *  0.5924% (0.90   0.02   0.02) =   0.000%
          QD2   LEU  123 - QG1   ILE   56  11.38 +/- 0.60   0.002% *  0.1647% (0.25   0.02   0.02) =   0.000%
          HG    LEU   31 - QG1   ILE   56  17.73 +/- 0.63   0.000% *  0.2961% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2686 (1.28, 0.79, 15.02 ppm):
    7 chemical-shift based assignments, quality = 0.723, support = 3.89, residual support = 112.6:
        T QG2   ILE   56 - QD1   ILE   56   3.27 +/- 0.01  99.480% * 97.8363% (0.72   3.89 112.56) =  99.999%  kept
          QB    ALA   91 - QD1   ILE   56   9.47 +/- 1.11   0.279% *  0.2033% (0.29   0.02   0.02) =   0.001%
          QG2   THR   77 - QD1   ILE   56   9.08 +/- 0.25   0.219% *  0.1304% (0.19   0.02   0.02) =   0.000%
        T QB    ALA   34 - QD1   ILE   56  15.35 +/- 0.27   0.009% *  0.6081% (0.87   0.02   0.02) =   0.000%
          QG2   THR   23 - QD1   ILE   56  17.66 +/- 0.27   0.004% *  0.6457% (0.93   0.02   0.02) =   0.000%
          QG2   THR   39 - QD1   ILE   56  15.43 +/- 0.40   0.009% *  0.2033% (0.29   0.02   0.02) =   0.000%
          HG3   LYS+  38 - QD1   ILE   56  23.84 +/- 0.59   0.001% *  0.3729% (0.54   0.02   0.02) =   0.000%
    Distance limit 3.16 A violated in 0 structures by 0.11 A, kept.
 
    Peak 2687 (1.43, 0.79, 15.02 ppm):
    14 chemical-shift based assignments, quality = 0.847, support = 2.62, residual support = 6.91:
          QB    ALA  110 - QD1   ILE   56   2.68 +/- 0.42  58.782% * 94.0858% (0.85   2.62   6.92) =  99.865%  kept
          HB3   LEU  115 - QD1   ILE   56   2.86 +/- 0.48  40.988% *  0.1781% (0.21   0.02   0.02) =   0.132%
          QB    ALA   61 - QD1   ILE   56   7.39 +/- 0.13   0.171% *  0.7980% (0.94   0.02   0.02) =   0.002%
          QG    LYS+  66 - QD1   ILE   56  10.12 +/- 0.43   0.025% *  0.6937% (0.82   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD1   ILE   56  13.62 +/- 0.51   0.005% *  0.7839% (0.93   0.02   0.02) =   0.000%
        T HD3   LYS+ 121 - QD1   ILE   56  12.52 +/- 1.04   0.008% *  0.2224% (0.26   0.02   0.02) =   0.000%
          HG    LEU   73 - QD1   ILE   56  14.66 +/- 0.28   0.003% *  0.5494% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD1   ILE   56  12.44 +/- 0.47   0.007% *  0.1994% (0.24   0.02   0.02) =   0.000%
          HG    LEU   80 - QD1   ILE   56  17.03 +/- 0.91   0.001% *  0.7383% (0.87   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD1   ILE   56  17.29 +/- 0.22   0.001% *  0.6680% (0.79   0.02   0.02) =   0.000%
          HG    LEU   67 - QD1   ILE   56  13.73 +/- 1.24   0.005% *  0.1234% (0.15   0.02   0.02) =   0.000%
          HG    LEU   40 - QD1   ILE   56  14.44 +/- 0.58   0.003% *  0.1781% (0.21   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD1   ILE   56  17.71 +/- 0.62   0.001% *  0.3288% (0.39   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   ILE   56  20.31 +/- 0.69   0.000% *  0.4528% (0.54   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 1 structures by 0.05 A, kept.
 
    Peak 2688 (1.71, 0.79, 15.02 ppm):
    8 chemical-shift based assignments, quality = 0.848, support = 3.44, residual support = 112.6:
      O T QG1   ILE   56 - QD1   ILE   56   1.92 +/- 0.01  99.876% * 97.4557% (0.85   3.44 112.56) = 100.000%  kept
          HD2   LYS+ 111 - QD1   ILE   56   6.34 +/- 0.43   0.087% *  0.1950% (0.29   0.02   2.30) =   0.000%
          HB3   MET   92 - QD1   ILE   56   7.48 +/- 0.49   0.032% *  0.2597% (0.39   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QD1   ILE   56  11.11 +/- 0.49   0.003% *  0.4829% (0.72   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   ILE   56  12.62 +/- 0.23   0.001% *  0.2371% (0.36   0.02   0.02) =   0.000%
        T HB2   LEU   73 - QD1   ILE   56  13.90 +/- 0.20   0.001% *  0.3577% (0.54   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD1   ILE   56  15.24 +/- 0.34   0.000% *  0.5059% (0.76   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   56  16.52 +/- 0.63   0.000% *  0.5059% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2689 (1.89, 0.79, 15.02 ppm):
    10 chemical-shift based assignments, quality = 0.723, support = 3.9, residual support = 112.6:
      O T HB    ILE   56 - QD1   ILE   56   2.32 +/- 0.07  99.614% * 96.6907% (0.72   3.90 112.56) =  99.998%  kept
          HB3   PRO   58 - QD1   ILE   56   6.04 +/- 0.11   0.319% *  0.5824% (0.85   0.02   0.19) =   0.002%
          HB2   MET   92 - QD1   ILE   56   8.66 +/- 0.45   0.040% *  0.6437% (0.94   0.02   0.02) =   0.000%
          QB    LYS+ 106 - QD1   ILE   56   9.42 +/- 0.32   0.023% *  0.2215% (0.32   0.02   0.02) =   0.000%
          HB3   GLN   90 - QD1   ILE   56  14.02 +/- 0.77   0.002% *  0.1619% (0.24   0.02   0.02) =   0.000%
        T HB3   GLN   30 - QD1   ILE   56  18.07 +/- 0.30   0.000% *  0.6437% (0.94   0.02   0.02) =   0.000%
          QB    LYS+  81 - QD1   ILE   56  16.24 +/- 0.49   0.001% *  0.2005% (0.29   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QD1   ILE   56  22.66 +/- 0.41   0.000% *  0.5824% (0.85   0.02   0.02) =   0.000%
          QB    LYS+  33 - QD1   ILE   56  19.23 +/- 0.31   0.000% *  0.1285% (0.19   0.02   0.02) =   0.000%
          HG3   MET   11 - QD1   ILE   56  27.49 +/- 1.83   0.000% *  0.1446% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2690 (3.46, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.79, support = 1.22, residual support = 7.38:
        T HA    LYS+ 112 - QD1   ILE   56   2.79 +/- 0.31  99.872% * 97.7950% (0.79   1.22   7.38) =  99.999%  kept
          HB    THR   46 - QD1   ILE   56   8.88 +/- 0.29   0.112% *  0.5903% (0.29   0.02   0.02) =   0.001%
          HB2   HIS  122 - QD1   ILE   56  12.34 +/- 0.34   0.016% *  1.0828% (0.54   0.02   0.02) =   0.000%
          HB2   HIS   22 - QD1   ILE   56  19.22 +/- 0.50   0.001% *  0.5318% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2691 (4.46, 0.79, 15.02 ppm):
    6 chemical-shift based assignments, quality = 0.937, support = 2.82, residual support = 6.92:
          HA    ALA  110 - QD1   ILE   56   2.37 +/- 0.47  97.253% * 98.1790% (0.94   2.82   6.92) =  99.985%  kept
          HA    PHE   55 - QD1   ILE   56   4.74 +/- 0.22   2.513% *  0.5621% (0.76   0.02  15.20) =   0.015%
          HA    VAL  107 - QD1   ILE   56   6.94 +/- 0.34   0.203% *  0.2635% (0.36   0.02   0.02) =   0.001%
          HA    GLN   90 - QD1   ILE   56  13.21 +/- 0.54   0.005% *  0.6641% (0.89   0.02   0.02) =   0.000%
          HA    ALA   91 - QD1   ILE   56  11.30 +/- 0.64   0.015% *  0.1750% (0.24   0.02   0.02) =   0.000%
          HA    VAL   42 - QD1   ILE   56  11.68 +/- 0.30   0.011% *  0.1563% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2692 (6.90, 0.79, 15.02 ppm):
    1 chemical-shift based assignment, quality = 0.821, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   ILE   56  11.10 +/- 0.19 100.000% *100.0000% (0.82   0.02   0.02) = 100.000%  kept
    Distance limit 3.37 A violated in 20 structures by 7.73 A, eliminated.
    Peak unassigned.
 
    Peak 2693 (7.23, 0.79, 15.02 ppm):
    3 chemical-shift based assignments, quality = 0.29, support = 0.0199, residual support = 15.6:
          HN    PHE   59 - QD1   ILE   56   3.99 +/- 0.11  99.741% * 14.7032% (0.29   0.02  15.72) =  99.272%  kept
          HN    HIS  122 - QD1   ILE   56  10.95 +/- 0.25   0.237% * 41.3220% (0.82   0.02   0.02) =   0.663%
          HH2   TRP   87 - QD1   ILE   56  16.30 +/- 0.33   0.022% * 43.9748% (0.87   0.02   0.02) =   0.065%
    Distance limit 3.47 A violated in 20 structures by 0.52 A, eliminated.
    Peak unassigned.
 
    Peak 2694 (7.39, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.419, support = 0.02, residual support = 24.0:
          HN    ALA   57 - QD1   ILE   56   4.45 +/- 0.23  93.687% * 20.7175% (0.42   0.02  25.38) =  94.529%  kept
          HE21  GLN  116 - QD1   ILE   56   7.19 +/- 0.75   6.203% * 17.3432% (0.36   0.02   0.02) =   5.239%  kept
          HE21  GLN   90 - QD1   ILE   56  14.85 +/- 1.70   0.105% * 44.5961% (0.91   0.02   0.02) =   0.228%
          HD21  ASN   35 - QD1   ILE   56  23.17 +/- 0.72   0.005% * 17.3432% (0.36   0.02   0.02) =   0.004%
    Distance limit 3.82 A violated in 19 structures by 0.60 A, eliminated.
    Peak unassigned.
 
    Peak 2695 (7.61, 0.79, 15.02 ppm):
    5 chemical-shift based assignments, quality = 0.236, support = 4.58, residual support = 112.6:
          HN    ILE   56 - QD1   ILE   56   3.51 +/- 0.12  98.844% * 95.2420% (0.24   4.58 112.56) =  99.991%  kept
          HN    LEU   63 - QD1   ILE   56   7.98 +/- 0.21   0.754% *  0.5688% (0.32   0.02   0.02) =   0.005%
          QE    PHE   60 - QD1   ILE   56   8.96 +/- 0.33   0.393% *  0.9441% (0.54   0.02   0.02) =   0.004%
          HZ2   TRP   87 - QD1   ILE   56  16.94 +/- 0.35   0.008% *  1.6676% (0.95   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   ILE   56  22.79 +/- 0.57   0.001% *  1.5775% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 1 structures by 0.05 A, kept.
 
    Peak 2696 (8.51, 0.79, 15.02 ppm):
    4 chemical-shift based assignments, quality = 0.498, support = 1.74, residual support = 7.38:
          HN    LYS+ 112 - QD1   ILE   56   3.66 +/- 0.13  99.865% * 97.4191% (0.50   1.74   7.38) =  99.999%  kept
          HN    VAL   75 - QD1   ILE   56  11.61 +/- 0.23   0.101% *  0.4746% (0.21   0.02   0.02) =   0.000%
          HN    ASP-  78 - QD1   ILE   56  13.94 +/- 0.32   0.034% *  1.3791% (0.61   0.02   0.02) =   0.000%
          HN    MET   11 - QD1   ILE   56  28.13 +/- 1.66   0.001% *  0.7272% (0.32   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2697 (3.18, 1.72, 31.79 ppm):
    2 chemical-shift based assignments, quality = 0.375, support = 2.25, residual support = 15.7:
        T HB3   PHE   59 - QG1   ILE   56   2.84 +/- 0.29  97.740% * 98.6769% (0.38   2.25  15.72) =  99.969%  kept
          HB2   PHE   95 - QG1   ILE   56   5.43 +/- 0.17   2.260% *  1.3231% (0.57   0.02   1.04) =   0.031%
    Distance limit 3.66 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 = 0.37, support = 2.44, residual support = 15.7:
        T HB2   PHE   59 - QG1   ILE   56   2.75 +/- 0.29  94.905% * 23.6160% (0.34   2.25  15.72) =  89.157%  kept
          QB    PHE   55 - QG1   ILE   56   4.88 +/- 0.26   3.655% * 74.3803% (0.61   3.99  15.20) =  10.815%  kept
          HD3   PRO   93 - QG1   ILE   56   6.30 +/- 0.42   0.849% *  0.4469% (0.73   0.02   0.02) =   0.015%
          HB3   CYS   53 - QG1   ILE   56   6.70 +/- 0.28   0.545% *  0.5519% (0.90   0.02   0.02) =   0.012%
          HD2   ARG+  54 - QG1   ILE   56  10.30 +/- 0.49   0.042% *  0.5821% (0.95   0.02   0.02) =   0.001%
          HD3   PRO   68 - QG1   ILE   56  15.03 +/- 0.82   0.004% *  0.4227% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2699 (6.90, 1.72, 31.79 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QG1   ILE   56  10.98 +/- 0.26 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.93 A violated in 20 structures by 7.05 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 = 15.7:
          QD    PHE   59 - QG1   ILE   56   3.44 +/- 0.38  99.899% * 95.9861% (0.34   1.74  15.72) =  99.999%  kept
          HN    HIS  122 - QG1   ILE   56  11.48 +/- 0.32   0.083% *  1.3319% (0.41   0.02   0.02) =   0.001%
          HH2   TRP   87 - QG1   ILE   56  15.61 +/- 0.38   0.013% *  1.5769% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - QG1   ILE   56  18.11 +/- 0.38   0.005% *  1.1051% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2701 (7.61, 4.38, 60.23 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 5.05, residual support = 112.6:
      O   HN    ILE   56 - HA    ILE   56   2.93 +/- 0.01  99.722% * 95.6649% (0.25   5.05 112.56) =  99.998%  kept
          HN    LEU   63 - HA    ILE   56   8.31 +/- 0.24   0.193% *  0.5183% (0.34   0.02   0.02) =   0.001%
          QE    PHE   60 - HA    ILE   56   9.56 +/- 0.32   0.084% *  0.8602% (0.57   0.02   0.02) =   0.001%
          HZ2   TRP   87 - HA    ILE   56  20.39 +/- 0.49   0.001% *  1.5194% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    ILE   56  26.77 +/- 0.63   0.000% *  1.4373% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2702 (3.81, 1.64, 16.31 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 4.94, residual support = 24.1:
        T HD2   PRO   58 - QB    ALA   57   2.18 +/- 0.08  94.077% * 98.9034% (0.95   4.94  24.13) =  99.991%  kept
          HB2   CYS   53 - QB    ALA   57   3.55 +/- 0.35   5.923% *  0.1444% (0.34   0.02   0.02) =   0.009%
        T HA    VAL   83 - QB    ALA   57  18.94 +/- 0.43   0.000% *  0.4149% (0.98   0.02   0.02) =   0.000%
          HA    GLU- 100 - QB    ALA   57  22.53 +/- 0.40   0.000% *  0.4196% (0.99   0.02   0.02) =   0.000%
          HA    LYS+  38 - QB    ALA   57  22.35 +/- 0.20   0.000% *  0.1177% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2703 (7.44, 1.64, 16.31 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 4.58, residual support = 23.2:
      O   HN    ALA   57 - QB    ALA   57   2.11 +/- 0.20  99.982% * 93.7117% (0.18   4.58  23.20) = 100.000%  kept
          HE21  GLN   17 - QB    ALA   57  12.59 +/- 1.79   0.004% *  1.6967% (0.73   0.02   0.02) =   0.000%
          HE21  GLN  116 - QB    ALA   57  11.21 +/- 1.16   0.010% *  0.5202% (0.22   0.02   0.02) =   0.000%
          HN    ALA  120 - QB    ALA   57  13.33 +/- 0.43   0.002% *  1.3228% (0.57   0.02   0.02) =   0.000%
          HN    ALA  124 - QB    ALA   57  17.70 +/- 0.47   0.000% *  1.9516% (0.84   0.02   0.02) =   0.000%
          HN    LEU  123 - QB    ALA   57  15.59 +/- 0.48   0.001% *  0.7970% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.01 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   2.87 +/- 0.04  99.967% * 98.1360% (0.57   4.21  23.20) = 100.000%  kept
          HE21  GLN  116 - HA    ALA   57  12.74 +/- 1.31   0.015% *  0.5323% (0.65   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   57  14.55 +/- 0.42   0.006% *  0.7941% (0.97   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   57  14.54 +/- 1.97   0.010% *  0.2288% (0.28   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   57  19.90 +/- 0.53   0.001% *  0.3088% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2705 (1.65, 4.26, 57.40 ppm):
    12 chemical-shift based assignments, quality = 0.526, support = 2.81, residual support = 23.2:
      O T QB    ALA   57 - HA    ALA   57   2.13 +/- 0.01  99.859% * 92.7211% (0.53   2.81  23.20) =  99.999%  kept
          HD2   LYS+  74 - HA    ALA   57   7.42 +/- 0.78   0.071% *  1.0481% (0.84   0.02   0.02) =   0.001%
          HG3   PRO   93 - HA    ALA   57   7.41 +/- 0.39   0.059% *  0.2198% (0.18   0.02   0.02) =   0.000%
          QD    LYS+  65 - HA    ALA   57  10.65 +/- 0.88   0.008% *  1.1253% (0.90   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HA    ALA   57  16.65 +/- 0.37   0.000% *  1.1583% (0.92   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HA    ALA   57  15.30 +/- 0.85   0.001% *  0.6108% (0.49   0.02   0.02) =   0.000%
          HB    VAL   83 - HA    ALA   57  18.82 +/- 0.52   0.000% *  1.0481% (0.84   0.02   0.02) =   0.000%
          HB3   LEU  123 - HA    ALA   57  17.96 +/- 0.96   0.000% *  0.3129% (0.25   0.02   0.02) =   0.000%
          HB2   LEU  123 - HA    ALA   57  17.53 +/- 0.59   0.000% *  0.1936% (0.15   0.02   0.02) =   0.000%
          QD    LYS+  33 - HA    ALA   57  19.77 +/- 1.06   0.000% *  0.3129% (0.25   0.02   0.02) =   0.000%
          QD    LYS+  38 - HA    ALA   57  25.39 +/- 0.23   0.000% *  0.8619% (0.69   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HA    ALA   57  23.74 +/- 0.36   0.000% *  0.3873% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 0.198, support = 0.0191, residual support = 0.0191:
          HN    CYS   53 - HB2   PRO   58  11.32 +/- 0.16  96.566% *  5.7685% (0.15   0.02   0.02) =  88.631%  kept
          HN    SER   85 - HB2   PRO   58  25.35 +/- 0.37   0.771% * 29.9364% (0.80   0.02   0.02) =   3.671%  kept
          HN    GLN   32 - HB2   PRO   58  26.90 +/- 0.40   0.541% * 37.3861% (1.00   0.02   0.02) =   3.218%  kept
          HN    ALA   34 - HB2   PRO   58  24.47 +/- 0.39   0.958% * 15.3699% (0.41   0.02   0.02) =   2.342%
          HN    LEU   80 - HB2   PRO   58  23.72 +/- 0.69   1.164% * 11.5391% (0.31   0.02   0.02) =   2.138%
    Distance limit 3.97 A violated in 20 structures by 7.33 A, eliminated.
    Peak unassigned.
 
    Peak 2707 (7.26, 1.89, 31.07 ppm):
    6 chemical-shift based assignments, quality = 0.607, support = 6.26, residual support = 37.7:
      O   HN    PHE   59 - HB3   PRO   58   3.30 +/- 0.11  99.021% * 98.9616% (0.61   6.26  37.68) =  99.997%  kept
          QE    PHE   59 - HB3   PRO   58   8.35 +/- 0.10   0.382% *  0.4314% (0.83   0.02  37.68) =   0.002%
          HN    LYS+  66 - HB3   PRO   58   9.30 +/- 0.34   0.211% *  0.3326% (0.64   0.02   0.02) =   0.001%
          QD    PHE   60 - HB3   PRO   58   8.44 +/- 0.12   0.358% *  0.1210% (0.23   0.02   0.02) =   0.000%
          HN    HIS  122 - HB3   PRO   58  13.06 +/- 0.57   0.027% *  0.0861% (0.17   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PRO   58  22.68 +/- 0.62   0.001% *  0.0672% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2708 (3.81, 1.98, 28.60 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.39, residual support = 135.6:
      O   HD2   PRO   58 - HG3   PRO   58   2.30 +/- 0.00  99.971% * 98.9949% (0.95   5.39 135.55) = 100.000%  kept
          HB2   CYS   53 - HG3   PRO   58   9.00 +/- 0.32   0.029% *  0.1323% (0.34   0.02   0.02) =   0.000%
          HA    VAL   83 - HG3   PRO   58  26.25 +/- 0.39   0.000% *  0.3803% (0.98   0.02   0.02) =   0.000%
          HA    GLU- 100 - HG3   PRO   58  27.98 +/- 0.41   0.000% *  0.3846% (0.99   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG3   PRO   58  28.05 +/- 0.32   0.000% *  0.1079% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2709 (4.42, 1.98, 28.60 ppm):
    8 chemical-shift based assignments, quality = 0.764, support = 4.5, residual support = 135.6:
      O   HA    PRO   58 - HG3   PRO   58   3.88 +/- 0.00  99.870% * 96.9581% (0.76   4.50 135.55) =  99.999%  kept
          HA    THR   46 - HG3   PRO   58  12.98 +/- 0.28   0.072% *  0.5442% (0.97   0.02   0.02) =   0.000%
          HA    GLN   17 - HG3   PRO   58  14.74 +/- 0.55   0.034% *  0.5205% (0.92   0.02   0.02) =   0.000%
          HA    VAL   42 - HG3   PRO   58  16.99 +/- 0.37   0.014% *  0.2116% (0.38   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG3   PRO   58  20.50 +/- 0.48   0.005% *  0.4515% (0.80   0.02   0.02) =   0.000%
          HA    LEU   40 - HG3   PRO   58  22.24 +/- 0.34   0.003% *  0.3420% (0.61   0.02   0.02) =   0.000%
          HA    SER   13 - HG3   PRO   58  25.67 +/- 1.35   0.001% *  0.4515% (0.80   0.02   0.02) =   0.000%
          HA    SER   37 - HG3   PRO   58  29.16 +/- 0.53   0.001% *  0.5205% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.17 A, kept.
 
    Peak 2710 (7.42, 3.81, 50.93 ppm):
    5 chemical-shift based assignments, quality = 0.536, support = 5.29, residual support = 24.1:
          HN    ALA   57 - HD2   PRO   58   1.85 +/- 0.21  99.990% * 98.5085% (0.54   5.29  24.13) = 100.000%  kept
          HE21  GLN  116 - HD2   PRO   58  10.77 +/- 1.33   0.008% *  0.4259% (0.61   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   58  13.78 +/- 0.57   0.001% *  0.6354% (0.91   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   58  16.82 +/- 2.13   0.000% *  0.1831% (0.26   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   58  19.45 +/- 0.57   0.000% *  0.2471% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2711 (4.42, 3.72, 50.93 ppm):
    16 chemical-shift based assignments, quality = 0.723, support = 6.52, residual support = 135.6:
      O   HA    PRO   58 - HD3   PRO   58   3.98 +/- 0.00  98.085% * 97.7769% (0.72   6.52 135.55) =  99.998%  kept
          HA    THR   46 - HD3   PRO   58  10.39 +/- 0.21   0.311% *  0.3786% (0.91   0.02   0.02) =   0.001%
          HA    GLN   17 - HD3   PRO   58  13.98 +/- 0.51   0.054% *  0.3621% (0.87   0.02   0.02) =   0.000%
          HA    GLN   17 - HD2   PRO   68   9.52 +/- 0.83   0.614% *  0.0160% (0.04   0.02   0.02) =   0.000%
          HA    VAL   42 - HD3   PRO   58  14.70 +/- 0.36   0.039% *  0.1472% (0.36   0.02   0.02) =   0.000%
          HA    LEU   40 - HD2   PRO   68  10.98 +/- 1.53   0.352% *  0.0105% (0.03   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD2   PRO   68  11.11 +/- 0.63   0.220% *  0.0139% (0.03   0.02   0.02) =   0.000%
          HA    GLU-  15 - HD3   PRO   58  19.46 +/- 0.42   0.007% *  0.3141% (0.76   0.02   0.02) =   0.000%
          HA    VAL   42 - HD2   PRO   68  11.79 +/- 1.42   0.204% *  0.0065% (0.02   0.02   0.02) =   0.000%
          HA    LEU   40 - HD3   PRO   58  20.31 +/- 0.32   0.006% *  0.2379% (0.57   0.02   0.02) =   0.000%
          HA    PRO   58 - HD2   PRO   68  14.35 +/- 0.56   0.046% *  0.0133% (0.03   0.02   0.02) =   0.000%
          HA    SER   37 - HD2   PRO   68  14.97 +/- 0.97   0.037% *  0.0160% (0.04   0.02   0.02) =   0.000%
          HA    SER   13 - HD3   PRO   58  24.88 +/- 1.23   0.002% *  0.3141% (0.76   0.02   0.02) =   0.000%
          HA    SER   37 - HD3   PRO   58  27.51 +/- 0.48   0.001% *  0.3621% (0.87   0.02   0.02) =   0.000%
          HA    SER   13 - HD2   PRO   68  16.78 +/- 1.00   0.019% *  0.0139% (0.03   0.02   0.02) =   0.000%
          HA    THR   46 - HD2   PRO   68  21.16 +/- 0.90   0.004% *  0.0168% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.21 A, kept.
 
    Peak 2712 (7.42, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.536, support = 3.91, residual support = 24.1:
          HN    ALA   57 - HD3   PRO   58   1.94 +/- 0.08  99.977% * 97.8840% (0.54   3.91  24.13) = 100.000%  kept
          HE21  GLN  116 - HD3   PRO   58   9.55 +/- 1.31   0.009% *  0.5726% (0.61   0.02   0.02) =   0.000%
          HN    ALA  120 - HD3   PRO   58  12.28 +/- 0.53   0.002% *  0.8542% (0.91   0.02   0.02) =   0.000%
          HN    ALA  124 - HD2   PRO   68   9.58 +/- 1.17   0.009% *  0.0147% (0.02   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD3   PRO   58  17.09 +/- 2.03   0.000% *  0.2461% (0.26   0.02   0.02) =   0.000%
          HN    ALA  124 - HD3   PRO   58  18.33 +/- 0.53   0.000% *  0.3322% (0.36   0.02   0.02) =   0.000%
          HN    ALA  120 - HD2   PRO   68  13.23 +/- 1.12   0.001% *  0.0378% (0.04   0.02   0.02) =   0.000%
          HE21  GLN   17 - HD2   PRO   68  13.54 +/- 1.20   0.001% *  0.0109% (0.01   0.02   0.02) =   0.000%
          HE21  GLN  116 - HD2   PRO   68  15.81 +/- 1.37   0.000% *  0.0253% (0.03   0.02   0.02) =   0.000%
          HN    ALA   57 - HD2   PRO   68  18.13 +/- 0.79   0.000% *  0.0222% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 24.1:
          QB    ALA   57 - HD3   PRO   58   3.30 +/- 0.08  99.180% * 96.7335% (0.87   3.30  24.13) =  99.999%  kept
          HD2   LYS+  74 - HD3   PRO   58  10.84 +/- 0.72   0.088% *  0.6298% (0.94   0.02   0.02) =   0.001%
          QD    LYS+  65 - HD3   PRO   58  11.21 +/- 0.83   0.079% *  0.3093% (0.46   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD3   PRO   58  13.27 +/- 0.77   0.025% *  0.5698% (0.85   0.02   0.02) =   0.000%
          QD    LYS+  65 - HD2   PRO   68   8.82 +/- 1.21   0.408% *  0.0137% (0.02   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD3   PRO   58  15.29 +/- 0.53   0.010% *  0.3343% (0.50   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD3   PRO   58  16.01 +/- 0.93   0.008% *  0.4110% (0.61   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   68  10.72 +/- 1.12   0.108% *  0.0182% (0.03   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   68  12.82 +/- 1.41   0.038% *  0.0148% (0.02   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD3   PRO   58  22.09 +/- 1.18   0.001% *  0.4110% (0.61   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   68  13.79 +/- 1.86   0.026% *  0.0182% (0.03   0.02   0.02) =   0.000%
          HB    VAL   83 - HD3   PRO   58  21.72 +/- 0.46   0.001% *  0.2612% (0.39   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   PRO   68  15.17 +/- 0.44   0.011% *  0.0260% (0.04   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   PRO   68  16.73 +/- 1.05   0.007% *  0.0279% (0.04   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   PRO   68  15.90 +/- 1.31   0.009% *  0.0078% (0.01   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD3   PRO   58  26.62 +/- 0.24   0.000% *  0.1767% (0.26   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   68  25.00 +/- 1.31   0.001% *  0.0252% (0.04   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   PRO   68  24.73 +/- 1.06   0.001% *  0.0116% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.18 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2714 (1.64, 3.81, 50.93 ppm):
    9 chemical-shift based assignments, quality = 0.873, support = 4.94, residual support = 24.1:
        T QB    ALA   57 - HD2   PRO   58   2.18 +/- 0.08  99.984% * 97.9029% (0.87   4.94  24.13) = 100.000%  kept
        T HD2   LYS+  74 - HD2   PRO   58  11.16 +/- 0.80   0.006% *  0.4256% (0.94   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HD2   PRO   58  11.01 +/- 0.88   0.008% *  0.2090% (0.46   0.02   0.02) =   0.000%
          HD3   LYS+ 111 - HD2   PRO   58  14.55 +/- 0.79   0.001% *  0.3851% (0.85   0.02   0.02) =   0.000%
          HB3   LEU  123 - HD2   PRO   58  17.19 +/- 0.93   0.000% *  0.2778% (0.61   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HD2   PRO   58  16.92 +/- 0.54   0.000% *  0.2259% (0.50   0.02   0.02) =   0.000%
          QD    LYS+  33 - HD2   PRO   58  22.55 +/- 1.16   0.000% *  0.2778% (0.61   0.02   0.02) =   0.000%
        T HB    VAL   83 - HD2   PRO   58  22.41 +/- 0.49   0.000% *  0.1765% (0.39   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HD2   PRO   58  27.65 +/- 0.23   0.000% *  0.1194% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2715 (3.81, 3.72, 50.93 ppm):
    10 chemical-shift based assignments, quality = 0.895, support = 7.73, residual support = 135.6:
      O T HD2   PRO   58 - HD3   PRO   58   1.75 +/- 0.00  99.977% * 99.2544% (0.89   7.73 135.55) = 100.000%  kept
          HB2   CYS   53 - HD3   PRO   58   7.15 +/- 0.31   0.022% *  0.0926% (0.32   0.02   0.02) =   0.000%
          HA    VAL   83 - HD3   PRO   58  23.45 +/- 0.38   0.000% *  0.2660% (0.93   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD3   PRO   58  25.90 +/- 0.37   0.000% *  0.2690% (0.94   0.02   0.02) =   0.000%
          HA    GLU- 100 - HD2   PRO   68  16.43 +/- 1.43   0.000% *  0.0119% (0.04   0.02   0.02) =   0.000%
        T HD2   PRO   58 - HD2   PRO   68  17.74 +/- 0.59   0.000% *  0.0114% (0.04   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD2   PRO   68  15.16 +/- 1.36   0.000% *  0.0033% (0.01   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   58  26.12 +/- 0.27   0.000% *  0.0755% (0.26   0.02   0.02) =   0.000%
          HB2   CYS   53 - HD2   PRO   68  21.21 +/- 0.75   0.000% *  0.0041% (0.01   0.02   0.02) =   0.000%
          HA    VAL   83 - HD2   PRO   68  25.99 +/- 1.23   0.000% *  0.0118% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2716 (3.72, 3.81, 50.93 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 7.73, residual support = 135.6:
      O T HD3   PRO   58 - HD2   PRO   58   1.75 +/- 0.00  99.991% * 99.5819% (0.95   7.73 135.55) = 100.000%  kept
          HA    ALA   61 - HD2   PRO   58   8.26 +/- 0.14   0.009% *  0.1155% (0.42   0.02   1.11) =   0.000%
          HA    VAL   75 - HD2   PRO   58  16.25 +/- 0.30   0.000% *  0.2310% (0.85   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD2   PRO   58  17.74 +/- 0.59   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 = 6.61, residual support = 37.7:
          HN    PHE   59 - HD2   PRO   58   3.67 +/- 0.02  99.525% * 99.0644% (0.69   6.61  37.68) =  99.999%  kept
          QE    PHE   59 - HD2   PRO   58   9.01 +/- 0.11   0.457% *  0.1408% (0.32   0.02  37.68) =   0.001%
          HN    HIS  122 - HD2   PRO   58  15.83 +/- 0.42   0.016% *  0.4045% (0.93   0.02   0.02) =   0.000%
          HH2   TRP   87 - HD2   PRO   58  22.34 +/- 0.62   0.002% *  0.3903% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 15.7:
        T QG1   ILE   56 - HB3   PHE   59   2.84 +/- 0.29  99.994% * 97.3245% (0.53   2.25  15.72) = 100.000%  kept
          HB    ILE   89 - HB3   PHE   59  15.77 +/- 0.49   0.004% *  1.6117% (0.98   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB3   PHE   59  17.63 +/- 0.77   0.002% *  1.0637% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2719 (2.43, 3.16, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.521, support = 0.572, residual support = 4.91:
          HB3   ASP-  62 - HB3   PHE   59   5.94 +/- 0.51  13.764% * 68.1654% (0.45   0.75   6.51) =  74.345%  kept
          QE    LYS+ 112 - HB3   PHE   59   4.19 +/- 0.89  83.150% *  3.2466% (0.80   0.02   0.02) =  21.391%  kept
          HB    VAL  107 - HB3   PHE   59   7.23 +/- 0.41   2.986% * 17.9117% (0.38   0.24   1.42) =   4.238%  kept
          HB3   PHE   45 - HB3   PHE   59  12.74 +/- 0.66   0.097% *  3.2466% (0.80   0.02   0.02) =   0.025%
          HB3   ASP-  86 - HB3   PHE   59  22.86 +/- 0.72   0.003% *  3.5170% (0.87   0.02   0.02) =   0.001%
          HG2   GLU-  29 - HB3   PHE   59  26.47 +/- 1.12   0.001% *  3.9128% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 1 structures by 0.09 A, kept.
 
    Peak 2720 (1.75, 3.32, 39.73 ppm):
    6 chemical-shift based assignments, quality = 0.175, support = 2.25, residual support = 15.7:
        T QG1   ILE   56 - HB2   PHE   59   2.75 +/- 0.29  99.978% * 91.7792% (0.18   2.25  15.72) = 100.000%  kept
          HB    VAL   43 - HB2   PHE   59  12.33 +/- 0.62   0.014% *  1.5890% (0.34   0.02   0.02) =   0.000%
          HB    ILE   89 - HB2   PHE   59  15.40 +/- 0.65   0.004% *  3.0135% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HB2   PHE   59  17.46 +/- 0.78   0.002% *  1.1616% (0.25   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HB2   PHE   59  17.90 +/- 0.64   0.002% *  1.1616% (0.25   0.02   0.02) =   0.000%
          QD    LYS+  81 - HB2   PHE   59  19.71 +/- 1.14   0.001% *  1.2952% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2721 (7.23, 3.16, 39.73 ppm):
    3 chemical-shift based assignments, quality = 0.309, support = 4.98, residual support = 54.7:
      O   HN    PHE   59 - HB3   PHE   59   2.34 +/- 0.18  99.986% * 97.7225% (0.31   4.98  54.73) = 100.000%  kept
          HN    HIS  122 - HB3   PHE   59  10.86 +/- 0.65   0.013% *  1.1033% (0.87   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   PHE   59  18.39 +/- 0.69   0.000% *  1.1742% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2723 (7.25, 3.32, 39.73 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.37, residual support = 54.7:
      O   HN    PHE   59 - HB2   PHE   59   2.39 +/- 0.19  97.422% * 98.9849% (1.00   4.37  54.73) =  99.990%  kept
          QE    PHE   59 - HB2   PHE   59   4.48 +/- 0.03   2.545% *  0.3625% (0.80   0.02  54.73) =   0.010%
          HN    HIS  122 - HB2   PHE   59  11.02 +/- 0.48   0.013% *  0.2746% (0.61   0.02   0.02) =   0.000%
          HN    LYS+  66 - HB2   PHE   59   9.97 +/- 0.16   0.020% *  0.1397% (0.31   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB2   PHE   59  18.02 +/- 0.71   0.001% *  0.2382% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 6.51:
          HB2   ASP-  62 - HA    PHE   59   3.23 +/- 0.28  99.881% * 99.1175% (0.99   1.50   6.51) = 100.000%  kept
          HB2   PRO   52 - HA    PHE   59  11.97 +/- 0.61   0.044% *  0.6490% (0.49   0.02   0.02) =   0.000%
        T QB    ASP- 113 - HA    PHE   59  10.94 +/- 0.22   0.074% *  0.2335% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 6.51:
          HB3   ASP-  62 - HA    PHE   59   3.57 +/- 0.52  99.054% * 93.1322% (0.18   2.96   6.51) =  99.987%  kept
          HG3   GLN  116 - HA    PHE   59   8.17 +/- 0.39   0.916% *  1.2269% (0.34   0.02   0.02) =   0.012%
          HG3   MET   96 - HA    PHE   59  14.85 +/- 0.31   0.023% *  1.8923% (0.53   0.02   0.02) =   0.000%
        T HB3   TRP   87 - HA    PHE   59  18.67 +/- 0.34   0.006% *  1.0000% (0.28   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HA    PHE   59  26.76 +/- 1.72   0.001% *  2.7487% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2726 (7.25, 4.35, 60.90 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 4.86, residual support = 54.7:
      O   HN    PHE   59 - HA    PHE   59   2.72 +/- 0.01  97.195% * 99.0863% (1.00   4.86  54.73) =  99.991%  kept
          QE    PHE   59 - HA    PHE   59   5.00 +/- 0.14   2.579% *  0.3263% (0.80   0.02  54.73) =   0.009%
          HN    LYS+  66 - HA    PHE   59   7.83 +/- 0.18   0.174% *  0.1258% (0.31   0.02   0.02) =   0.000%
          HN    HIS  122 - HA    PHE   59   9.64 +/- 0.45   0.051% *  0.2472% (0.61   0.02   0.02) =   0.000%
          HH2   TRP   87 - HA    PHE   59  19.11 +/- 0.60   0.001% *  0.2144% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 3.99, residual support = 16.5:
          HN    PHE   60 - HB3   PHE   59   3.36 +/- 0.62  94.818% * 98.7501% (0.61   3.99  16.51) =  99.990%  kept
          HN    GLN  116 - HB3   PHE   59   6.51 +/- 0.70   4.182% *  0.1430% (0.18   0.02   0.02) =   0.006%
          HN    THR  118 - HB3   PHE   59   8.16 +/- 0.75   0.996% *  0.3065% (0.38   0.02   5.94) =   0.003%
          HN    GLU-  15 - HB3   PHE   59  19.86 +/- 0.89   0.003% *  0.8004% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2729 (7.28, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 3.92, residual support = 69.2:
          QD    PHE   60 - HA    PHE   60   2.03 +/- 0.30  94.191% * 99.0990% (1.00   3.92  69.18) =  99.992%  kept
          QE    PHE   59 - HA    PHE   60   3.51 +/- 0.39   5.725% *  0.1265% (0.25   0.02  16.51) =   0.008%
          HN    LYS+  66 - HA    PHE   60   6.93 +/- 0.29   0.084% *  0.3683% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    PHE   60  20.34 +/- 0.30   0.000% *  0.4062% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2730 (8.20, 3.92, 62.21 ppm):
    4 chemical-shift based assignments, quality = 0.607, support = 4.64, residual support = 69.2:
      O   HN    PHE   60 - HA    PHE   60   2.83 +/- 0.02  99.923% * 98.9233% (0.61   4.64  69.18) = 100.000%  kept
          HN    THR  118 - HA    PHE   60  10.64 +/- 0.22   0.036% *  0.2640% (0.38   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    PHE   60  10.66 +/- 0.19   0.036% *  0.1232% (0.18   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    PHE   60  14.95 +/- 0.70   0.005% *  0.6895% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 5.02, residual support = 41.7:
      O   HN    ALA   61 - HA    PHE   60   3.63 +/- 0.01  99.933% * 98.3561% (0.84   5.02  41.70) = 100.000%  kept
          HE3   TRP   87 - HA    PHE   60  14.81 +/- 0.59   0.022% *  0.2469% (0.53   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    PHE   60  16.47 +/- 0.61   0.012% *  0.4208% (0.90   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    PHE   60  17.53 +/- 0.28   0.008% *  0.4651% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    PHE   60  16.51 +/- 0.37   0.011% *  0.2104% (0.45   0.02   0.02) =   0.000%
          HN    THR   39 - HA    PHE   60  16.96 +/- 0.36   0.010% *  0.2284% (0.49   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    PHE   60  20.57 +/- 0.36   0.003% *  0.0724% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.742, residual support = 0.734:
          HA    ALA   57 - HB2   PHE   60   3.88 +/- 0.32  94.139% * 42.7977% (0.15   0.75   0.74) =  98.948%  kept
          HA    ASP-  44 - HB2   PHE   60   6.59 +/- 0.62   5.700% *  7.3803% (1.00   0.02   0.34) =   1.033%
          HB    THR   77 - HB2   PHE   60  14.51 +/- 0.48   0.039% *  7.2502% (0.98   0.02   0.02) =   0.007%
          HA1   GLY   51 - HB2   PHE   60  13.99 +/- 0.44   0.045% *  2.7761% (0.38   0.02   0.02) =   0.003%
          HA    ILE  103 - HB2   PHE   60  16.62 +/- 0.61   0.018% *  6.8280% (0.92   0.02   0.02) =   0.003%
          HA    GLU-  14 - HB2   PHE   60  16.69 +/- 1.53   0.020% *  3.0409% (0.41   0.02   0.02) =   0.001%
          HA    SER   85 - HB2   PHE   60  19.17 +/- 0.65   0.007% *  7.2502% (0.98   0.02   0.02) =   0.001%
          HA    GLU-  79 - HB2   PHE   60  17.88 +/- 0.40   0.011% *  4.1877% (0.57   0.02   0.02) =   0.001%
          HA    THR   39 - HB2   PHE   60  18.14 +/- 0.45   0.010% *  3.6004% (0.49   0.02   0.02) =   0.001%
          HA    ASP-  86 - HB2   PHE   60  21.08 +/- 0.59   0.004% *  3.6004% (0.49   0.02   0.02) =   0.000%
          HA    ALA   12 - HB2   PHE   60  22.15 +/- 1.83   0.004% *  3.8916% (0.53   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   PHE   60  24.89 +/- 2.28   0.002% *  7.3967% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 3 structures by 0.11 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 = 69.2:
      O   QD    PHE   60 - HB2   PHE   60   2.45 +/- 0.13  99.926% * 98.8201% (0.76   3.76  69.18) = 100.000%  kept
          HN    LYS+  66 - HB2   PHE   60   8.83 +/- 0.38   0.047% *  0.1911% (0.28   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   PHE   60  10.28 +/- 0.52   0.022% *  0.1360% (0.20   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   PHE   60  12.91 +/- 0.44   0.005% *  0.1714% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB2   PHE   60  18.97 +/- 0.35   0.000% *  0.6813% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 4.88, residual support = 41.7:
          HN    ALA   61 - HB2   PHE   60   2.56 +/- 0.49  99.984% * 95.7244% (0.38   4.88  41.70) = 100.000%  kept
          HD1   TRP   87 - HB2   PHE   60  16.35 +/- 0.59   0.003% *  0.9374% (0.90   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   PHE   60  16.87 +/- 0.43   0.002% *  0.8370% (0.80   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   PHE   60  15.53 +/- 0.51   0.004% *  0.4686% (0.45   0.02   0.02) =   0.000%
          HN    THR   39 - HB2   PHE   60  18.78 +/- 0.42   0.001% *  0.9649% (0.92   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   PHE   60  15.43 +/- 0.74   0.005% *  0.1613% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HB2   PHE   60  19.99 +/- 0.91   0.001% *  0.3565% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB2   PHE   60  21.82 +/- 0.46   0.000% *  0.5499% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 69.2:
      O   HN    PHE   60 - HB2   PHE   60   2.36 +/- 0.24  99.987% * 98.8909% (0.61   4.50  69.18) = 100.000%  kept
          HN    GLU-  15 - HB2   PHE   60  15.20 +/- 1.04   0.002% *  0.7102% (0.98   0.02   0.02) =   0.000%
          HN    THR  118 - HB2   PHE   60  12.51 +/- 0.58   0.005% *  0.2719% (0.38   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   PHE   60  11.82 +/- 0.53   0.007% *  0.1269% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2736 (0.58, 3.92, 62.21 ppm):
    7 chemical-shift based assignments, quality = 0.978, support = 3.03, residual support = 10.9:
        T QD1   LEU   63 - HA    PHE   60   2.90 +/- 0.28  86.987% * 71.6563% (1.00   3.08  10.95) =  95.043%  kept
          QD2   LEU   63 - HA    PHE   60   4.57 +/- 0.67  12.129% * 26.7740% (0.57   2.04  10.95) =   4.952%  kept
          QD2   LEU  115 - HA    PHE   60   6.43 +/- 0.46   0.814% *  0.3882% (0.84   0.02   0.02) =   0.005%
        T QD1   LEU   73 - HA    PHE   60  10.55 +/- 0.23   0.039% *  0.4648% (1.00   0.02   0.90) =   0.000%
        T QD1   LEU  104 - HA    PHE   60  11.75 +/- 0.52   0.022% *  0.2631% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    PHE   60  14.36 +/- 0.71   0.007% *  0.3722% (0.80   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    PHE   60  16.27 +/- 0.62   0.003% *  0.0814% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2737 (1.35, 3.92, 62.21 ppm):
    15 chemical-shift based assignments, quality = 0.923, support = 1.5, residual support = 10.9:
        T HB2   LEU   63 - HA    PHE   60   2.28 +/- 0.30  96.769% * 89.3097% (0.92   1.50  10.95) =  99.953%  kept
          HB3   ASP-  44 - HA    PHE   60   4.80 +/- 0.60   3.166% *  1.2644% (0.98   0.02   0.34) =   0.046%
          HB3   PRO   93 - HA    PHE   60   9.03 +/- 0.51   0.037% *  1.1190% (0.87   0.02   0.02) =   0.000%
          HG    LEU   98 - HA    PHE   60  13.60 +/- 0.79   0.003% *  1.2449% (0.97   0.02   0.02) =   0.000%
          QB    ALA   84 - HA    PHE   60  13.82 +/- 0.36   0.003% *  1.1569% (0.90   0.02   0.02) =   0.000%
          QB    ALA  124 - HA    PHE   60  14.37 +/- 0.50   0.002% *  1.2871% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   73 - HA    PHE   60  11.14 +/- 0.25   0.009% *  0.1990% (0.15   0.02   0.90) =   0.000%
          HG2   LYS+ 111 - HA    PHE   60  14.94 +/- 0.28   0.002% *  0.7824% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HA    PHE   60  13.44 +/- 0.67   0.003% *  0.3981% (0.31   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HA    PHE   60  13.09 +/- 0.33   0.003% *  0.2872% (0.22   0.02   0.02) =   0.000%
          HB3   LEU   80 - HA    PHE   60  17.32 +/- 1.19   0.001% *  1.0775% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   31 - HA    PHE   60  18.03 +/- 0.48   0.001% *  0.8861% (0.69   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HA    PHE   60  16.07 +/- 0.62   0.001% *  0.4400% (0.34   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HA    PHE   60  20.65 +/- 0.99   0.000% *  0.2259% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HA    PHE   60  21.49 +/- 0.36   0.000% *  0.3217% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 0.341, support = 0.987, residual support = 3.37:
        T QG2   VAL   18 - HA    ALA   61   2.86 +/- 0.33  99.715% * 80.7290% (0.34   0.99   3.37) =  99.990%  kept
          QD2   LEU   73 - HA    ALA   61   9.50 +/- 0.29   0.084% *  4.1595% (0.87   0.02   0.02) =   0.004%
          QD1   ILE   56 - HA    ALA   61   9.66 +/- 0.11   0.079% *  2.9085% (0.61   0.02   0.02) =   0.003%
          QG2   THR   46 - HA    ALA   61   9.78 +/- 0.53   0.083% *  1.1957% (0.25   0.02   0.02) =   0.001%
          QG1   VAL   43 - HA    ALA   61  11.65 +/- 0.50   0.026% *  2.7149% (0.57   0.02   0.02) =   0.001%
        T QG1   VAL   41 - HA    ALA   61  13.39 +/- 0.39   0.011% *  3.6647% (0.76   0.02   0.02) =   0.001%
          HG    LEU   31 - HA    ALA   61  17.98 +/- 0.92   0.002% *  4.6277% (0.97   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 1 structures by 0.08 A, kept.
 
    Peak 2740 (0.42, 3.74, 54.57 ppm):
    3 chemical-shift based assignments, quality = 0.341, support = 2.49, residual support = 7.12:
        T QB    ALA   64 - HA    ALA   61   2.95 +/- 0.21  99.838% * 97.8281% (0.34   2.49   7.12) =  99.998%  kept
          QD1   LEU  115 - HA    ALA   61   9.04 +/- 0.62   0.145% *  1.3061% (0.57   0.02   0.02) =   0.002%
        T QG1   VAL   75 - HA    ALA   61  12.94 +/- 0.71   0.017% *  0.8658% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2741 (6.47, 3.74, 54.57 ppm):
    1 chemical-shift based assignment, quality = 0.835, support = 0.75, residual support = 7.12:
          HN    ALA   64 - HA    ALA   61   3.80 +/- 0.16 100.000% *100.0000% (0.84   0.75   7.12) = 100.000%  kept
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2742 (7.74, 3.74, 54.57 ppm):
    8 chemical-shift based assignments, quality = 0.375, support = 2.75, residual support = 17.9:
      O   HN    ALA   61 - HA    ALA   61   2.76 +/- 0.02  99.994% * 92.6531% (0.38   2.75  17.90) = 100.000%  kept
          HN    THR   39 - HA    ALA   61  18.54 +/- 0.39   0.001% *  1.6580% (0.92   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ALA   61  18.17 +/- 0.33   0.001% *  1.4382% (0.80   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ALA   61  19.50 +/- 0.37   0.001% *  1.6108% (0.90   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ALA   61  19.78 +/- 0.53   0.001% *  0.8052% (0.45   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ALA   61  21.82 +/- 0.47   0.000% *  0.9449% (0.53   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ALA   61  18.67 +/- 0.63   0.001% *  0.2771% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 102 - HA    ALA   61  21.60 +/- 0.89   0.000% *  0.6127% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 3.75, residual support = 69.2:
      O   QD    PHE   60 - HB3   PHE   60   2.65 +/- 0.15  91.701% * 98.3427% (0.73   3.76  69.18) =  99.962%  kept
          QE    PHE   59 - HB3   PHE   60   4.62 +/- 0.84   6.360% *  0.4665% (0.65   0.02  16.51) =   0.033%
          HN    PHE   59 - HB3   PHE   60   5.17 +/- 0.24   1.879% *  0.2005% (0.28   0.02  16.51) =   0.004%
          HN    LYS+  66 - HB3   PHE   60   9.05 +/- 0.44   0.059% *  0.7196% (1.00   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PHE   60  18.68 +/- 0.38   0.001% *  0.2707% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.26 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 = 69.2:
      O   HN    PHE   60 - HB3   PHE   60   2.40 +/- 0.27  99.998% * 98.2111% (0.20   4.63  69.18) = 100.000%  kept
          HN    GLU-  15 - HB3   PHE   60  15.44 +/- 0.93   0.002% *  1.7889% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.847, support = 0.02, residual support = 0.02:
          HD1   TRP   87 - HB3   PHE   60  15.83 +/- 0.60  38.849% * 23.9067% (0.95   0.02   0.02) =  48.677%  kept
          HN    THR   39 - HB3   PHE   60  18.49 +/- 0.45  15.214% * 23.3294% (0.92   0.02   0.02) =  18.602%  kept
          HN    TRP   27 - HB3   PHE   60  16.70 +/- 0.38  28.204% *  8.6206% (0.34   0.02   0.02) =  12.743%  kept
          HN    LYS+ 102 - HB3   PHE   60  19.39 +/- 0.95  11.647% * 20.2366% (0.80   0.02   0.02) =  12.353%  kept
          HN    GLU-  36 - HB3   PHE   60  21.54 +/- 0.42   6.085% * 23.9067% (0.95   0.02   0.02) =   7.625%  kept
    Distance limit 3.64 A violated in 20 structures by 9.86 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 = 4.89:
          HA    LYS+  81 - QB    ALA   84   2.28 +/- 0.18  99.981% * 85.9051% (0.33   2.00   4.89) = 100.000%  kept
        T HA    ASN   28 - QB    ALA   84  10.92 +/- 0.39   0.010% *  2.3248% (0.89   0.02   0.02) =   0.000%
          HA    LEU  115 - QB    ALA   84  15.21 +/- 0.37   0.001% *  2.2586% (0.87   0.02   0.02) =   0.000%
          HA    ARG+  54 - QB    ALA   84  15.47 +/- 0.49   0.001% *  2.1845% (0.84   0.02   0.02) =   0.000%
          HA1   GLY  101 - QB    ALA   84  15.54 +/- 1.50   0.001% *  1.4258% (0.55   0.02   0.02) =   0.000%
          HA    THR   26 - QB    ALA   84  12.66 +/- 0.28   0.004% *  0.3886% (0.15   0.02   0.02) =   0.000%
        T HA    ALA   34 - QB    ALA   84  16.61 +/- 0.40   0.001% *  1.9246% (0.74   0.02   0.02) =   0.000%
          HA    GLU- 114 - QB    ALA   84  17.22 +/- 0.50   0.001% *  1.0354% (0.40   0.02   0.02) =   0.000%
          HA    GLU-  36 - QB    ALA   84  19.87 +/- 0.31   0.000% *  0.6280% (0.24   0.02   0.02) =   0.000%
        T HA    ALA  124 - QB    ALA   84  25.25 +/- 0.60   0.000% *  1.9246% (0.74   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.222, support = 0.0199, residual support = 8.9:
          HA    SER   85 - QB    ALA   84   3.70 +/- 0.03  57.132% *  3.3557% (0.15   0.02  17.34) =  51.253%  kept
          HB    THR   77 - QB    ALA   84   4.02 +/- 0.54  37.855% *  3.3557% (0.15   0.02   0.02) =  33.960%  kept
          HA    ASP-  86 - QB    ALA   84   6.46 +/- 0.03   2.001% * 18.8652% (0.84   0.02   0.02) =  10.094%  kept
          HA    TRP   87 - QB    ALA   84   6.24 +/- 0.16   2.543% *  6.0469% (0.27   0.02   0.02) =   4.111%  kept
        T HA    ASP-  44 - QB    ALA   84   8.27 +/- 0.27   0.457% *  4.3040% (0.19   0.02   0.02) =   0.526%
          HA    LEU  104 - QB    ALA   84  16.57 +/- 0.23   0.007% * 20.9887% (0.93   0.02   0.02) =   0.040%
          HA    GLU-  14 - QB    ALA   84  20.52 +/- 1.50   0.002% * 20.0763% (0.89   0.02   0.02) =   0.011%
          HA    ALA   12 - QB    ALA   84  23.93 +/- 2.34   0.001% * 18.1658% (0.81   0.02   0.02) =   0.004%
          HA    MET   11 - QB    ALA   84  25.11 +/- 3.48   0.001% *  4.8419% (0.21   0.02   0.02) =   0.001%
    Distance limit 3.28 A violated in 0 structures by 0.12 A, kept.
 
    Peak 2748 (7.60, 1.35, 18.25 ppm):
    7 chemical-shift based assignments, quality = 0.298, support = 3.93, residual support = 17.3:
      O   HN    ALA   84 - QB    ALA   84   1.96 +/- 0.05  99.975% * 94.4018% (0.30   3.93  17.31) = 100.000%  kept
          HZ2   TRP   87 - QB    ALA   84   8.54 +/- 0.19   0.015% *  1.1310% (0.70   0.02   0.02) =   0.000%
          HD21  ASN   28 - QB    ALA   84  11.36 +/- 0.54   0.003% *  1.3968% (0.87   0.02   0.02) =   0.000%
          QE    PHE   60 - QB    ALA   84  10.15 +/- 0.33   0.005% *  0.2728% (0.17   0.02   0.02) =   0.000%
          HN    ILE   56 - QB    ALA   84  14.02 +/- 0.35   0.001% *  1.0698% (0.66   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QB    ALA   84  13.32 +/- 0.42   0.001% *  0.4807% (0.30   0.02   0.02) =   0.000%
          HN    LEU   63 - QB    ALA   84  16.51 +/- 0.30   0.000% *  1.2471% (0.77   0.02   0.02) =   0.000%
    Distance limit 2.99 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 = 3.27, residual support = 17.3:
          HN    SER   85 - QB    ALA   84   2.65 +/- 0.06  98.115% * 98.5880% (0.77   3.27  17.34) =  99.995%  kept
          HN    LEU   80 - QB    ALA   84   5.20 +/- 0.35   1.865% *  0.2326% (0.30   0.02   0.02) =   0.004%
          HN    GLN   32 - QB    ALA   84  13.92 +/- 0.37   0.005% *  0.7535% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - QB    ALA   84  11.88 +/- 0.40   0.012% *  0.1163% (0.15   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    ALA   84  15.22 +/- 0.38   0.003% *  0.3098% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 0.923, support = 0.02, residual support = 25.6:
          HN    LEU  123 - QB    ALA  120   4.19 +/- 0.16  93.642% * 42.6516% (0.94   0.02  26.62) =  96.010%  kept
          HN    ALA  124 - QB    ALA  120   6.60 +/- 0.19   6.349% * 26.1005% (0.57   0.02   0.02) =   3.984%  kept
          HE21  GLN   17 - QB    ALA  120  20.14 +/- 1.25   0.008% * 31.2479% (0.69   0.02   0.02) =   0.006%
    Distance limit 2.80 A violated in 20 structures by 1.34 A, eliminated.
    Peak unassigned.
 
    Peak 2752 (4.25, 1.48, 18.41 ppm):
    7 chemical-shift based assignments, quality = 0.536, support = 1.95, residual support = 5.97:
        T HA    SER  117 - QB    ALA  120   2.67 +/- 0.18  99.987% * 94.6972% (0.54   1.95   5.97) = 100.000%  kept
          HA    ALA   57 - QB    ALA  120  14.13 +/- 0.38   0.005% *  1.6268% (0.89   0.02   0.02) =   0.000%
          HA    THR   39 - QB    ALA  120  16.70 +/- 0.51   0.002% *  0.9736% (0.54   0.02   0.02) =   0.000%
          HA    ILE  103 - QB    ALA  120  14.09 +/- 0.38   0.005% *  0.3012% (0.17   0.02   0.02) =   0.000%
          HA1   GLY   51 - QB    ALA  120  20.53 +/- 0.43   0.001% *  1.1813% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  79 - QB    ALA  120  26.07 +/- 0.29   0.000% *  0.8371% (0.46   0.02   0.02) =   0.000%
        T HB    THR   26 - QB    ALA  120  25.71 +/- 0.34   0.000% *  0.3829% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2753 (7.73, 1.43, 17.92 ppm):
    12 chemical-shift based assignments, quality = 0.965, support = 4.0, residual support = 17.9:
      O   HN    ALA   61 - QB    ALA   61   2.08 +/- 0.08  99.969% * 96.8468% (0.97   4.00  17.90) = 100.000%  kept
          HN    ALA   91 - QB    ALA  110   9.23 +/- 0.71   0.015% *  0.3681% (0.73   0.02   0.02) =   0.000%
          HN    ALA   61 - QB    ALA  110   9.46 +/- 0.45   0.012% *  0.3584% (0.71   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA  110  14.36 +/- 0.44   0.001% *  0.2697% (0.54   0.02   0.02) =   0.000%
          HN    ALA   91 - QB    ALA   61  16.65 +/- 0.42   0.000% *  0.4974% (0.99   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA   61  16.52 +/- 0.33   0.000% *  0.4500% (0.90   0.02   0.02) =   0.000%
          HE3   TRP   87 - QB    ALA   61  16.78 +/- 0.50   0.000% *  0.3644% (0.73   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA  110  15.31 +/- 0.49   0.001% *  0.1032% (0.21   0.02   0.02) =   0.000%
          HN    TRP   27 - QB    ALA  110  19.00 +/- 0.40   0.000% *  0.3330% (0.66   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA   61  17.48 +/- 0.32   0.000% *  0.1549% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    ALA   61  17.41 +/- 0.35   0.000% *  0.1395% (0.28   0.02   0.02) =   0.000%
          HN    THR   39 - QB    ALA  110  22.32 +/- 0.37   0.000% *  0.1146% (0.23   0.02   0.02) =   0.000%
    Distance limit 2.87 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 = 9.57:
      O   HN    ALA  110 - QB    ALA  110   2.09 +/- 0.14  99.949% * 97.0562% (0.87   2.12   9.57) = 100.000%  kept
          HN    PHE   45 - QB    ALA  110   8.53 +/- 0.33   0.024% *  0.6830% (0.65   0.02   0.02) =   0.000%
          HN    PHE   45 - QB    ALA   61  10.63 +/- 0.38   0.007% *  0.5054% (0.48   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA   61   9.58 +/- 0.45   0.013% *  0.2172% (0.21   0.02   0.02) =   0.000%
          HN    ALA  110 - QB    ALA   61  12.54 +/- 0.39   0.002% *  0.6777% (0.64   0.02   0.02) =   0.000%
          HN    ASP-  44 - QB    ALA  110  11.10 +/- 0.44   0.005% *  0.2935% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA   61  19.52 +/- 0.35   0.000% *  0.2411% (0.23   0.02   0.02) =   0.000%
          HN    GLU-  25 - QB    ALA  110  21.11 +/- 0.40   0.000% *  0.3259% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 0.997, support = 2.79, residual support = 8.25:
          HN    ASP-  62 - QB    ALA   61   2.75 +/- 0.13  83.490% * 96.2308% (1.00   2.79   8.25) =  99.946%  kept
          HN    PHE   55 - QB    ALA  110   3.84 +/- 0.50  14.030% *  0.2295% (0.33   0.02   0.46) =   0.040%
          HN    ARG+  54 - QB    ALA  110   5.03 +/- 0.23   2.311% *  0.4440% (0.64   0.02   0.02) =   0.013%
          HN    ARG+  54 - QB    ALA   61   9.18 +/- 0.29   0.062% *  0.6001% (0.87   0.02   0.02) =   0.000%
          HN    PHE   55 - QB    ALA   61   8.92 +/- 0.25   0.074% *  0.3101% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA  110  10.47 +/- 0.44   0.029% *  0.5108% (0.74   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA   61  16.72 +/- 0.37   0.002% *  0.6781% (0.98   0.02   0.02) =   0.000%
          HN    LEU   31 - QB    ALA  110  20.11 +/- 0.45   0.001% *  0.5018% (0.73   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA   61  19.57 +/- 0.31   0.001% *  0.2844% (0.41   0.02   0.02) =   0.000%
          HN    LYS+  38 - QB    ALA  110  24.08 +/- 0.33   0.000% *  0.2105% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.855, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB2   ASP-  62  17.83 +/- 0.67  42.529% * 28.1529% (1.00   0.02   0.02) =  52.186%  kept
          HA    GLU-  14 - HB2   ASP-  62  18.60 +/- 0.91  33.460% * 21.5631% (0.76   0.02   0.02) =  31.447%  kept
          HA    TRP   87 - HB2   ASP-  62  22.00 +/- 0.62  12.045% * 12.6499% (0.45   0.02   0.02) =   6.641%  kept
          HA    ALA   12 - HB2   ASP-  62  23.89 +/- 1.57   7.778% * 18.2527% (0.65   0.02   0.02) =   6.188%  kept
          HA    ASP-  86 - HB2   ASP-  62  26.23 +/- 0.56   4.189% * 19.3814% (0.69   0.02   0.02) =   3.539%  kept
    Distance limit 3.48 A violated in 20 structures by 11.96 A, eliminated.
    Peak unassigned.
 
    Peak 2757 (4.32, 2.45, 41.28 ppm):
    5 chemical-shift based assignments, quality = 0.82, support = 0.02, residual support = 0.02:
          HA    LEU  104 - HB3   ASP-  62  18.81 +/- 0.84  36.108% * 28.1529% (0.98   0.02   0.02) =  45.231%  kept
          HA    GLU-  14 - HB3   ASP-  62  18.63 +/- 0.89  38.341% * 21.5631% (0.75   0.02   0.02) =  36.787%  kept
          HA    ALA   12 - HB3   ASP-  62  23.90 +/- 1.69   9.260% * 18.2527% (0.63   0.02   0.02) =   7.521%  kept
          HA    TRP   87 - HB3   ASP-  62  22.57 +/- 0.83  11.976% * 12.6499% (0.44   0.02   0.02) =   6.741%  kept
        T HA    ASP-  86 - HB3   ASP-  62  26.74 +/- 0.78   4.314% * 19.3814% (0.67   0.02   0.02) =   3.720%  kept
    Distance limit 3.21 A violated in 20 structures by 12.58 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 = 3.22:
          HN    LYS+  65 - HA    ASP-  62   3.44 +/- 0.22 100.000% *100.0000% (0.15   0.75   3.22) = 100.000%  kept
    Distance limit 3.66 A violated in 0 structures by 0.02 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2759 (7.86, 4.22, 57.45 ppm):
    5 chemical-shift based assignments, quality = 0.998, support = 3.84, residual support = 41.0:
      O   HN    ASP-  62 - HA    ASP-  62   2.82 +/- 0.02  99.986% * 98.6052% (1.00   3.84  41.02) = 100.000%  kept
          HN    ARG+  54 - HA    ASP-  62  14.60 +/- 0.31   0.005% *  0.4469% (0.87   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ASP-  62  13.54 +/- 0.33   0.008% *  0.2310% (0.45   0.02   0.02) =   0.000%
          HN    LEU   31 - HA    ASP-  62  21.24 +/- 0.33   0.001% *  0.5050% (0.98   0.02   0.02) =   0.000%
          HN    LYS+  38 - HA    ASP-  62  22.48 +/- 0.39   0.000% *  0.2118% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 5.26, residual support = 42.6:
          HN    LEU   63 - HB2   ASP-  62   2.67 +/- 0.51  99.928% * 98.7167% (0.97   5.26  42.57) = 100.000%  kept
          HN    ILE   56 - HB2   ASP-  62  10.40 +/- 0.41   0.058% *  0.3490% (0.90   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   ASP-  62  12.96 +/- 0.44   0.013% *  0.2047% (0.53   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   ASP-  62  21.25 +/- 0.76   0.001% *  0.1894% (0.49   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   ASP-  62  23.18 +/- 0.38   0.000% *  0.2047% (0.53   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   ASP-  62  27.47 +/- 0.67   0.000% *  0.2673% (0.69   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   ASP-  62  28.26 +/- 1.09   0.000% *  0.0682% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.81 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   2.59 +/- 0.27  99.994% * 98.1824% (0.69   3.84  41.02) = 100.000%  kept
          HN    ARG+  54 - HB2   ASP-  62  13.51 +/- 0.49   0.006% *  0.7192% (0.97   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB2   ASP-  62  22.80 +/- 0.53   0.000% *  0.6464% (0.87   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   ASP-  62  21.58 +/- 0.43   0.000% *  0.4520% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2762 (7.60, 2.45, 41.28 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 5.26, residual support = 42.6:
          HN    LEU   63 - HB3   ASP-  62   3.35 +/- 0.45  99.799% * 98.7167% (0.95   5.26  42.57) =  99.999%  kept
          HN    ILE   56 - HB3   ASP-  62  10.12 +/- 0.44   0.167% *  0.3490% (0.88   0.02   0.02) =   0.001%
          HN    LYS+ 111 - HB3   ASP-  62  13.23 +/- 0.55   0.031% *  0.2047% (0.52   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   ASP-  62  21.84 +/- 0.76   0.002% *  0.1894% (0.48   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   ASP-  62  23.48 +/- 0.60   0.001% *  0.2047% (0.52   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   ASP-  62  27.85 +/- 0.76   0.000% *  0.2673% (0.67   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   ASP-  62  28.76 +/- 1.16   0.000% *  0.0682% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.68 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   2.42 +/- 0.22  99.987% * 98.6052% (0.98   3.84  41.02) = 100.000%  kept
          HN    PHE   55 - HB3   ASP-  62  11.67 +/- 0.50   0.008% *  0.2310% (0.44   0.02   0.02) =   0.000%
          HN    ARG+  54 - HB3   ASP-  62  13.07 +/- 0.49   0.004% *  0.4469% (0.85   0.02   0.02) =   0.000%
          HN    LEU   31 - HB3   ASP-  62  22.02 +/- 0.61   0.000% *  0.5050% (0.96   0.02   0.02) =   0.000%
          HN    LYS+  38 - HB3   ASP-  62  23.52 +/- 0.79   0.000% *  0.2118% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.24 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 = 1.97, residual support = 5.66:
          QB    LYS+  66 - HA    LEU   63   2.60 +/- 0.34  97.684% * 94.6382% (1.00   1.97   5.66) =  99.986%  kept
          QB    LYS+  65 - HA    LEU   63   5.29 +/- 0.23   2.013% *  0.5431% (0.57   0.02   1.23) =   0.012%
          HG    LEU  123 - HA    LEU   63   7.44 +/- 0.50   0.277% *  0.5431% (0.57   0.02   0.02) =   0.002%
          HB    VAL   41 - HA    LEU   63  13.35 +/- 0.43   0.007% *  0.9074% (0.95   0.02   0.02) =   0.000%
          HB2   LEU   71 - HA    LEU   63  12.31 +/- 0.42   0.012% *  0.5047% (0.53   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   63  15.09 +/- 0.61   0.003% *  0.8603% (0.90   0.02   0.02) =   0.000%
          HG12  ILE  103 - HA    LEU   63  16.51 +/- 0.71   0.002% *  0.8012% (0.84   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HA    LEU   63  16.85 +/- 0.62   0.002% *  0.6589% (0.69   0.02   0.02) =   0.000%
          HB3   PRO   52 - HA    LEU   63  18.50 +/- 0.55   0.001% *  0.5431% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2765 (7.29, 3.50, 57.67 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 1.6, residual support = 5.66:
          HN    LYS+  66 - HA    LEU   63   3.37 +/- 0.16  94.117% * 95.3763% (0.53   1.60   5.66) =  99.912%  kept
          QD    PHE   60 - HA    LEU   63   6.01 +/- 0.43   3.250% *  2.1805% (0.97   0.02  10.95) =   0.079%
          QE    PHE   59 - HA    LEU   63   6.18 +/- 0.23   2.632% *  0.3058% (0.14   0.02   0.43) =   0.009%
          HN    LYS+  81 - HA    LEU   63  24.96 +/- 0.30   0.001% *  2.1373% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 245.2:
      O   HN    LEU   63 - HA    LEU   63   2.77 +/- 0.03  99.984% * 99.0656% (1.00   7.54 245.20) = 100.000%  kept
          HN    ILE   56 - HA    LEU   63  13.14 +/- 0.34   0.009% *  0.2611% (0.99   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HA    LEU   63  14.38 +/- 0.33   0.005% *  0.1913% (0.73   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HA    LEU   63  18.71 +/- 0.56   0.001% *  0.0813% (0.31   0.02   0.02) =   0.000%
          HN    ALA   84 - HA    LEU   63  22.14 +/- 0.32   0.000% *  0.1913% (0.73   0.02   0.02) =   0.000%
          HD21  ASN   28 - HA    LEU   63  25.16 +/- 0.63   0.000% *  0.1282% (0.49   0.02   0.02) =   0.000%
          HE21  GLN   32 - HA    LEU   63  25.11 +/- 1.07   0.000% *  0.0813% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 10.9:
        T HA    PHE   60 - HB2   LEU   63   2.28 +/- 0.30  99.867% * 86.6046% (0.49   1.50  10.95) =  99.999%  kept
          HA    LYS+  65 - HB2   LEU   63   7.68 +/- 0.12   0.090% *  0.4155% (0.18   0.02   1.23) =   0.000%
          HA    ALA  120 - HB2   LEU   63  10.25 +/- 0.41   0.016% *  1.2481% (0.53   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   LEU   63  11.74 +/- 0.30   0.007% *  2.3253% (0.98   0.02   0.02) =   0.000%
          HA    LYS+ 121 - HB2   LEU   63  12.00 +/- 0.45   0.006% *  2.1899% (0.92   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU   63  12.85 +/- 0.21   0.004% *  2.0578% (0.87   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU   63  11.68 +/- 0.40   0.007% *  0.5282% (0.22   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU   63  17.75 +/- 0.43   0.001% *  2.2894% (0.97   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU   63  18.69 +/- 0.31   0.000% *  1.8130% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU   63  20.53 +/- 0.42   0.000% *  0.5282% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 6.78, residual support = 54.2:
          HN    ALA   64 - HB2   LEU   63   2.75 +/- 0.20 100.000% *100.0000% (0.57   6.78  54.17) = 100.000%  kept
    Distance limit 3.75 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 = 2.57, residual support = 19.0:
          QE    PHE   72 - HB2   LEU   63   2.78 +/- 0.69  99.990% * 99.3304% (0.99   2.57  19.00) = 100.000%  kept
          HN    ALA   47 - HB2   LEU   63  14.81 +/- 0.24   0.009% *  0.3493% (0.45   0.02   0.02) =   0.000%
          HD22  ASN   28 - HB2   LEU   63  22.77 +/- 0.82   0.001% *  0.3203% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.02 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 = 8.04, residual support = 245.2:
      O   HN    LEU   63 - HB2   LEU   63   2.17 +/- 0.11  99.990% * 99.1238% (1.00   8.04 245.20) = 100.000%  kept
          HN    ILE   56 - HB2   LEU   63  11.03 +/- 0.44   0.006% *  0.2448% (0.99   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB2   LEU   63  12.45 +/- 0.36   0.003% *  0.1794% (0.73   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB2   LEU   63  16.71 +/- 0.63   0.001% *  0.0762% (0.31   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LEU   63  19.41 +/- 0.31   0.000% *  0.1794% (0.73   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LEU   63  23.13 +/- 0.69   0.000% *  0.1202% (0.49   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LEU   63  23.93 +/- 1.06   0.000% *  0.0762% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 4.55, residual support = 42.6:
          HN    ASP-  62 - HB2   LEU   63   4.33 +/- 0.09  99.745% * 98.5510% (0.76   4.55  42.57) =  99.999%  kept
          HN    PHE   55 - HB2   LEU   63  13.12 +/- 0.44   0.131% *  0.5087% (0.90   0.02   0.02) =   0.001%
          HN    ARG+  54 - HB2   LEU   63  14.07 +/- 0.47   0.086% *  0.2332% (0.41   0.02   0.02) =   0.000%
          HN    LEU   31 - HB2   LEU   63  17.21 +/- 0.48   0.026% *  0.4738% (0.84   0.02   0.02) =   0.000%
          HN    ALA   88 - HB2   LEU   63  19.65 +/- 0.51   0.012% *  0.2332% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.13 A, kept.
 
    Peak 2772 (6.48, 0.88, 41.55 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 6.85, residual support = 54.2:
          HN    ALA   64 - HB3   LEU   63   3.23 +/- 0.39 100.000% *100.0000% (0.57   6.85  54.17) = 100.000%  kept
    Distance limit 4.09 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2773 (6.72, 0.88, 41.55 ppm):
    2 chemical-shift based assignments, quality = 0.867, support = 3.27, residual support = 19.0:
        T HZ    PHE   72 - HB3   LEU   63   2.99 +/- 0.76  99.987% * 99.8914% (0.87   3.27  19.00) = 100.000%  kept
          HZ2   TRP   27 - HB3   LEU   63  15.04 +/- 0.67   0.013% *  0.1086% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2774 (7.59, 0.88, 41.55 ppm):
    7 chemical-shift based assignments, quality = 0.998, support = 7.61, residual support = 245.2:
      O   HN    LEU   63 - HB3   LEU   63   3.42 +/- 0.12  99.918% * 99.0745% (1.00   7.61 245.20) = 100.000%  kept
          HN    ILE   56 - HB3   LEU   63  12.62 +/- 0.48   0.040% *  0.2586% (0.99   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB3   LEU   63  13.46 +/- 0.39   0.027% *  0.1894% (0.73   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HB3   LEU   63  16.20 +/- 0.64   0.009% *  0.0805% (0.31   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LEU   63  19.67 +/- 0.48   0.003% *  0.1894% (0.73   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB3   LEU   63  22.77 +/- 0.86   0.001% *  0.1270% (0.49   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LEU   63  23.10 +/- 1.22   0.001% *  0.0805% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.66 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 = 7.61, residual support = 245.2:
          HN    LEU   63 - HG    LEU   63   3.00 +/- 0.60  96.698% * 98.9495% (0.76   7.61 245.20) =  99.998%  kept
          QE    PHE   60 - HG    LEU   63   7.00 +/- 0.83   3.231% *  0.0673% (0.20   0.02  10.95) =   0.002%
          HN    ILE   56 - HG    LEU   63  11.56 +/- 0.77   0.036% *  0.2201% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG    LEU   63  12.12 +/- 0.77   0.028% *  0.0946% (0.28   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG    LEU   63  17.84 +/- 0.80   0.005% *  0.2600% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG    LEU   63  24.78 +/- 0.81   0.001% *  0.3140% (0.92   0.02   0.02) =   0.000%
          HN    ALA   84 - HG    LEU   63  20.83 +/- 0.59   0.002% *  0.0946% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 3 structures by 0.10 A, kept.
 
    Peak 2776 (3.94, 0.58, 26.34 ppm):
    30 chemical-shift based assignments, quality = 0.135, support = 3.08, residual support = 10.9:
        T HA    PHE   60 - QD1   LEU   63   2.90 +/- 0.28  98.215% * 56.2110% (0.14   3.08  10.95) =  99.946%  kept
          HA    ALA  120 - QD1   LEU   63   7.59 +/- 0.60   0.377% *  2.5484% (0.95   0.02   0.02) =   0.017%
          HA    LYS+ 121 - QD1   LEU   63   8.38 +/- 0.47   0.215% *  2.4869% (0.92   0.02   0.02) =   0.010%
          QB    SER  117 - QD1   LEU   63   8.04 +/- 0.50   0.263% *  1.6340% (0.61   0.02   0.02) =   0.008%
          HA    LYS+  65 - QD1   LEU   63   8.52 +/- 0.20   0.174% *  1.5252% (0.57   0.02   1.23) =   0.005%
          HB    THR   94 - QD1   LEU   63   9.51 +/- 0.16   0.088% *  2.5999% (0.97   0.02   0.02) =   0.004%
          HA    LYS+ 121 - QD1   LEU  104   7.69 +/- 0.52   0.319% *  0.6087% (0.23   0.02   0.02) =   0.004%
          HB    THR   94 - QD1   LEU   73  11.23 +/- 0.40   0.032% *  2.5999% (0.97   0.02   0.02) =   0.002%
          HA2   GLY   16 - QD1   LEU   73  11.39 +/- 0.90   0.033% *  1.7428% (0.65   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD1   LEU   63  11.57 +/- 0.52   0.028% *  1.7428% (0.65   0.02   0.02) =   0.001%
          QB    SER   85 - QD1   LEU   73  12.30 +/- 0.45   0.019% *  1.7428% (0.65   0.02   0.02) =   0.001%
          HA    ALA  120 - QD1   LEU  104  10.53 +/- 0.46   0.047% *  0.6238% (0.23   0.02   0.02) =   0.001%
          HA    LYS+  65 - QD1   LEU   73  12.85 +/- 0.43   0.015% *  1.5252% (0.57   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   73  14.38 +/- 0.44   0.008% *  2.6880% (1.00   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU  104  10.74 +/- 0.36   0.044% *  0.4000% (0.15   0.02   0.02) =   0.000%
        T HA    PHE   60 - QD1   LEU   73  10.55 +/- 0.23   0.047% *  0.3646% (0.14   0.02   0.90) =   0.000%
          HA2   GLY   51 - QD1   LEU   63  14.99 +/- 0.37   0.006% *  2.3369% (0.87   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU   63  15.75 +/- 0.29   0.004% *  2.6880% (1.00   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  104  13.87 +/- 0.51   0.010% *  0.6364% (0.24   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU   63  16.25 +/- 0.40   0.004% *  1.7428% (0.65   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD1   LEU   73  17.54 +/- 0.38   0.002% *  2.4869% (0.92   0.02   0.02) =   0.000%
          HA    ALA  120 - QD1   LEU   73  18.11 +/- 0.41   0.002% *  2.5484% (0.95   0.02   0.02) =   0.000%
          QB    SER  117 - QD1   LEU   73  17.13 +/- 0.47   0.003% *  1.6340% (0.61   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU   73  18.81 +/- 0.39   0.002% *  2.3369% (0.87   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD1   LEU  104  14.21 +/- 0.54   0.008% *  0.3733% (0.14   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD1   LEU  104  14.95 +/- 1.11   0.006% *  0.4266% (0.16   0.02   0.02) =   0.000%
        T HA    PHE   60 - QD1   LEU  104  11.75 +/- 0.52   0.026% *  0.0892% (0.03   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  104  17.69 +/- 0.40   0.002% *  0.4266% (0.16   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  104  21.76 +/- 0.35   0.001% *  0.6580% (0.24   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  104  23.52 +/- 0.48   0.000% *  0.5720% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 10.8:
        T HZ3   TRP   27 - QD1   LEU   73   2.51 +/- 0.45  99.542% * 94.5289% (0.49   1.59  10.76) =  99.992%  kept
          HZ    PHE   45 - QD1   LEU   73   6.94 +/- 0.41   0.390% *  1.7768% (0.73   0.02   0.02) =   0.007%
        T HZ3   TRP   27 - QD1   LEU   63  10.16 +/- 0.51   0.033% *  1.1910% (0.49   0.02   0.02) =   0.000%
          HZ    PHE   45 - QD1   LEU   63  11.71 +/- 0.45   0.015% *  1.7768% (0.73   0.02   0.02) =   0.000%
        T HZ3   TRP   27 - QD1   LEU  104  12.19 +/- 0.72   0.013% *  0.2915% (0.12   0.02   0.02) =   0.000%
          HZ    PHE   45 - QD1   LEU  104  13.73 +/- 0.48   0.007% *  0.4349% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.671, support = 0.94, residual support = 5.54:
          QE    PHE   59 - QD1   LEU   63   2.12 +/- 0.15  89.558% *  9.7872% (0.49   0.33   0.43) =  51.437%  kept
          QD    PHE   60 - QD1   LEU   63   3.36 +/- 0.50   9.887% * 83.6676% (0.87   1.59  10.95) =  48.547%  kept
          HN    LYS+  66 - QD1   LEU   63   6.32 +/- 0.17   0.133% *  1.1501% (0.95   0.02   5.66) =   0.009%
          HN    PHE   59 - QD1   LEU   63   5.64 +/- 0.59   0.354% *  0.2129% (0.18   0.02   0.43) =   0.004%
          QD    PHE   60 - QD1   LEU   73   8.18 +/- 0.27   0.030% *  1.0547% (0.87   0.02   0.90) =   0.002%
          QE    PHE   59 - QD1   LEU   73  10.13 +/- 0.58   0.009% *  0.5918% (0.49   0.02   0.02) =   0.000%
          QE    PHE   59 - QD1   LEU  104   9.05 +/- 0.39   0.016% *  0.1449% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD1   LEU   73  13.07 +/- 0.30   0.002% *  1.1501% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   73  12.17 +/- 0.41   0.003% *  0.6397% (0.53   0.02   0.02) =   0.000%
          QD    PHE   60 - QD1   LEU  104  10.89 +/- 0.67   0.005% *  0.2582% (0.21   0.02   0.02) =   0.000%
          HN    LYS+  66 - QD1   LEU  104  12.21 +/- 0.45   0.003% *  0.2815% (0.23   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU   73  14.67 +/- 0.26   0.001% *  0.2129% (0.18   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU   63  18.12 +/- 0.39   0.000% *  0.6397% (0.53   0.02   0.02) =   0.000%
          HN    PHE   59 - QD1   LEU  104  15.02 +/- 0.41   0.001% *  0.0521% (0.04   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  104  21.36 +/- 0.54   0.000% *  0.1566% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2779 (7.60, 0.58, 26.34 ppm):
    21 chemical-shift based assignments, quality = 0.764, support = 7.23, residual support = 245.1:
          HN    LEU   63 - QD1   LEU   63   3.65 +/- 0.29  70.589% * 97.2249% (0.76   7.23 245.20) =  99.959%  kept
          QE    PHE   60 - QD1   LEU   63   4.67 +/- 0.65  22.490% *  0.0697% (0.20   0.02  10.95) =   0.023%
          HZ2   TRP   87 - QD1   LEU   73   6.21 +/- 0.52   3.033% *  0.2690% (0.76   0.02   0.02) =   0.012%
          QE    PHE   60 - QD1   LEU   73   6.44 +/- 0.36   2.311% *  0.0697% (0.20   0.02   0.90) =   0.002%
          HD21  ASN   28 - QD1   LEU   73   8.61 +/- 0.45   0.420% *  0.3249% (0.92   0.02   0.02) =   0.002%
          HN    ILE   56 - QD1   LEU   63   9.10 +/- 0.41   0.288% *  0.2277% (0.65   0.02   0.02) =   0.001%
          HN    LYS+ 111 - QD1   LEU   63   8.96 +/- 0.54   0.323% *  0.0979% (0.28   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   73   9.97 +/- 0.50   0.166% *  0.0979% (0.28   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU   73  12.46 +/- 0.26   0.043% *  0.2690% (0.76   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU   63  13.12 +/- 0.60   0.032% *  0.2690% (0.76   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD1   LEU  104  11.88 +/- 0.53   0.058% *  0.0658% (0.19   0.02   0.02) =   0.000%
          HN    LEU   63 - QD1   LEU  104  12.01 +/- 0.48   0.053% *  0.0658% (0.19   0.02   0.02) =   0.000%
          QE    PHE   60 - QD1   LEU  104  10.43 +/- 0.97   0.138% *  0.0171% (0.05   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU   73  16.08 +/- 0.34   0.009% *  0.2277% (0.65   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU   63  15.55 +/- 0.42   0.011% *  0.0979% (0.28   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU   63  19.17 +/- 0.61   0.003% *  0.3249% (0.92   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU   73  16.76 +/- 0.43   0.007% *  0.0979% (0.28   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD1   LEU  104  18.68 +/- 0.91   0.004% *  0.0795% (0.23   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD1   LEU  104  15.58 +/- 0.45   0.011% *  0.0240% (0.07   0.02   0.02) =   0.000%
          HN    ILE   56 - QD1   LEU  104  17.98 +/- 0.45   0.005% *  0.0557% (0.16   0.02   0.02) =   0.000%
          HN    ALA   84 - QD1   LEU  104  17.84 +/- 0.49   0.005% *  0.0240% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 3 structures by 0.12 A, kept.
 
    Peak 2782 (6.47, 2.84, 53.98 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 4.23, residual support = 20.7:
      O   HN    ALA   64 - HA    ALA   64   2.80 +/- 0.04 100.000% *100.0000% (0.97   4.23  20.69) = 100.000%  kept
    Distance limit 3.54 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 = 40.2:
        T QD    PHE   72 - HA    ALA   64   3.14 +/- 0.30  59.006% * 61.3919% (0.87   2.96  40.22) =  69.779%  kept
        T HZ    PHE   72 - HA    ALA   64   3.40 +/- 0.47  40.985% * 38.2792% (0.57   2.82  40.22) =  30.221%  kept
          QE    PHE   45 - HA    ALA   64  13.61 +/- 0.32   0.009% *  0.3289% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2785 (7.34, 2.84, 53.98 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 0.975, residual support = 4.13:
          HN    LEU   67 - HA    ALA   64   3.17 +/- 0.15  99.799% * 91.1891% (0.87   0.97   4.13) =  99.996%  kept
          QE    PHE   95 - HA    ALA   64   9.28 +/- 0.23   0.167% *  2.1138% (0.98   0.02   0.02) =   0.004%
          HE3   TRP   27 - HA    ALA   64  13.41 +/- 0.44   0.019% *  1.2209% (0.57   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    ALA   64  15.96 +/- 0.43   0.006% *  1.3950% (0.65   0.02   0.02) =   0.000%
          HN    THR   23 - HA    ALA   64  18.05 +/- 0.37   0.003% *  2.1374% (0.99   0.02   0.02) =   0.000%
          HD2   HIS   22 - HA    ALA   64  16.57 +/- 0.43   0.005% *  0.8093% (0.38   0.02   0.02) =   0.000%
          HD1   TRP   49 - HA    ALA   64  21.64 +/- 0.34   0.001% *  1.1346% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.06 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 = 8.16:
          QG2   VAL   18 - QB    ALA   64   2.19 +/- 0.44  99.318% * 94.5729% (0.84   1.84   8.16) =  99.996%  kept
          QD2   LEU   73 - QB    ALA   64   5.83 +/- 0.29   0.417% *  0.4631% (0.38   0.02   0.31) =   0.002%
          QG1   VAL   43 - QB    ALA   64   8.08 +/- 0.39   0.062% *  1.2094% (0.98   0.02   0.02) =   0.001%
          QG1   VAL   41 - QB    ALA   64   8.76 +/- 0.28   0.039% *  1.2229% (0.99   0.02   0.02) =   0.001%
          QD1   ILE   19 - QB    ALA   64   7.67 +/- 0.26   0.084% *  0.4631% (0.38   0.02   0.02) =   0.000%
          QG2   THR   46 - QB    ALA   64   8.96 +/- 0.44   0.042% *  0.8959% (0.73   0.02   0.02) =   0.000%
          QD1   ILE   56 - QB    ALA   64   9.42 +/- 0.20   0.026% *  0.2161% (0.18   0.02   0.02) =   0.000%
          HG    LEU   31 - QB    ALA   64  12.71 +/- 0.87   0.005% *  0.6491% (0.53   0.02   0.02) =   0.000%
          QD2   LEU  104 - QB    ALA   64  12.09 +/- 0.60   0.006% *  0.3076% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2787 (1.44, 0.40, 18.57 ppm):
    13 chemical-shift based assignments, quality = 0.945, support = 1.19, residual support = 6.05:
          QB    ALA   61 - QB    ALA   64   4.24 +/- 0.17  54.790% * 20.2164% (0.92   1.12   7.12) =  59.271%  kept
          HB3   LEU   67 - QB    ALA   64   5.09 +/- 0.62  21.662% * 24.4893% (0.99   1.27   4.13) =  28.386%  kept
          QG    LYS+  66 - QB    ALA   64   5.96 +/- 0.39   7.567% * 23.0874% (0.98   1.21   6.92) =   9.348%  kept
          HG    LEU   73 - QB    ALA   64   7.54 +/- 0.27   1.774% * 30.5185% (0.87   1.81   0.31) =   2.897%  kept
          HG    LEU   67 - QB    ALA   64   5.85 +/- 0.87  11.446% *  0.1083% (0.28   0.02   4.13) =   0.066%
          HG12  ILE   19 - QB    ALA   64   7.71 +/- 0.29   1.543% *  0.2520% (0.65   0.02   0.02) =   0.021%
          HG    LEU   40 - QB    ALA   64   9.08 +/- 0.97   0.683% *  0.1462% (0.38   0.02   0.02) =   0.005%
          QB    ALA  110 - QB    ALA   64  11.30 +/- 0.38   0.157% *  0.2829% (0.73   0.02   0.02) =   0.002%
          HB3   LEU  115 - QB    ALA   64  10.31 +/- 0.51   0.267% *  0.1462% (0.38   0.02   0.02) =   0.002%
          HG    LEU   80 - QB    ALA   64  14.59 +/- 0.81   0.034% *  0.2978% (0.76   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QB    ALA   64  13.93 +/- 0.83   0.048% *  0.0601% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QB    ALA   64  18.14 +/- 0.92   0.009% *  0.2978% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    ALA   64  15.89 +/- 0.73   0.020% *  0.0972% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 1 structures by 0.10 A, kept.
 
    Peak 2788 (1.44, 2.84, 53.98 ppm):
    13 chemical-shift based assignments, quality = 0.947, support = 1.97, residual support = 4.22:
          HB3   LEU   67 - HA    ALA   64   3.73 +/- 0.65  72.708% * 48.2827% (0.99   2.00   4.13) =  90.521%  kept
          HG    LEU   67 - HA    ALA   64   4.86 +/- 0.78  19.875% * 11.9170% (0.28   1.76   4.13) =   6.107%  kept
          QG    LYS+  66 - HA    ALA   64   6.37 +/- 0.31   3.498% * 36.9483% (0.98   1.55   6.92) =   3.332%  kept
          QB    ALA   61 - HA    ALA   64   6.75 +/- 0.14   2.582% *  0.4503% (0.92   0.02   7.12) =   0.030%
          HG    LEU   73 - HA    ALA   64   9.31 +/- 0.32   0.385% *  0.4232% (0.87   0.02   0.31) =   0.004%
          HG    LEU   40 - HA    ALA   64   9.16 +/- 1.06   0.611% *  0.1831% (0.38   0.02   0.02) =   0.003%
          HG12  ILE   19 - HA    ALA   64  10.24 +/- 0.41   0.205% *  0.3156% (0.65   0.02   0.02) =   0.002%
          HB3   LEU  115 - HA    ALA   64  12.45 +/- 0.63   0.067% *  0.1831% (0.38   0.02   0.02) =   0.000%
          QB    ALA  110 - HA    ALA   64  14.46 +/- 0.45   0.028% *  0.3542% (0.73   0.02   0.02) =   0.000%
          HG    LEU   80 - HA    ALA   64  18.75 +/- 0.93   0.006% *  0.3728% (0.76   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    ALA   64  15.01 +/- 1.14   0.027% *  0.0753% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    ALA   64  20.21 +/- 1.17   0.004% *  0.3728% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    ALA   64  20.11 +/- 0.87   0.004% *  0.1216% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2789 (2.28, 0.40, 18.57 ppm):
    9 chemical-shift based assignments, quality = 0.764, support = 2.78, residual support = 40.2:
        T HB3   PHE   72 - QB    ALA   64   3.01 +/- 0.28  97.713% * 95.5719% (0.76   2.78  40.22) =  99.981%  kept
          HB2   ASP-  44 - QB    ALA   64   6.30 +/- 0.40   1.350% *  0.7801% (0.87   0.02   0.02) =   0.011%
          QG    GLU-  15 - QB    ALA   64   7.43 +/- 0.67   0.544% *  0.8507% (0.95   0.02   0.02) =   0.005%
          QG    GLU-  14 - QB    ALA   64   8.89 +/- 1.06   0.233% *  0.7512% (0.84   0.02   0.02) =   0.002%
          HG12  ILE  119 - QB    ALA   64   9.18 +/- 0.46   0.138% *  0.3068% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - QB    ALA   64  15.23 +/- 1.14   0.007% *  0.8065% (0.90   0.02   0.02) =   0.000%
          QG    GLN   90 - QB    ALA   64  15.85 +/- 0.64   0.006% *  0.6178% (0.69   0.02   0.02) =   0.000%
          HG2   MET   92 - QB    ALA   64  16.12 +/- 0.53   0.005% *  0.1575% (0.18   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QB    ALA   64  16.90 +/- 1.22   0.004% *  0.1575% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 2.49, residual support = 7.12:
        T HA    ALA   61 - QB    ALA   64   2.95 +/- 0.21  99.230% * 98.5249% (1.00   2.49   7.12) =  99.995%  kept
          HD2   PRO   68 - QB    ALA   64   7.11 +/- 0.35   0.610% *  0.7332% (0.92   0.02   0.02) =   0.005%
          HD3   PRO   58 - QB    ALA   64   9.24 +/- 0.16   0.111% *  0.3866% (0.49   0.02   0.02) =   0.000%
          HA    VAL   75 - QB    ALA   64  10.87 +/- 0.24   0.043% *  0.1981% (0.25   0.02   0.02) =   0.000%
          HA    VAL   24 - QB    ALA   64  15.10 +/- 0.39   0.006% *  0.1572% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 8.16:
          HA    VAL   18 - QB    ALA   64   3.26 +/- 0.36  99.105% * 92.8642% (0.90   1.84   8.16) =  99.995%  kept
          HA    VAL   70 - QB    ALA   64   7.55 +/- 0.25   0.771% *  0.4639% (0.41   0.02   0.02) =   0.004%
          HA    GLN  116 - QB    ALA   64  11.79 +/- 0.26   0.053% *  0.4639% (0.41   0.02   0.02) =   0.000%
          HA    LYS+  33 - QB    ALA   64  13.98 +/- 0.40   0.018% *  0.8193% (0.73   0.02   0.02) =   0.000%
          HA    SER   48 - QB    ALA   64  15.27 +/- 0.45   0.012% *  1.0674% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  29 - QB    ALA   64  15.31 +/- 0.30   0.011% *  0.9788% (0.87   0.02   0.02) =   0.000%
          HD2   PRO   52 - QB    ALA   64  14.56 +/- 0.22   0.015% *  0.5936% (0.53   0.02   0.02) =   0.000%
          HA    GLN   32 - QB    ALA   64  15.55 +/- 0.40   0.010% *  0.8193% (0.73   0.02   0.02) =   0.000%
          HA    ALA   88 - QB    ALA   64  18.53 +/- 0.50   0.003% *  0.8623% (0.76   0.02   0.02) =   0.000%
          HB2   SER   82 - QB    ALA   64  20.26 +/- 0.33   0.002% *  1.0674% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.01 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   3.02 +/- 0.16  99.477% * 89.6823% (0.49   1.22   2.45) =  99.984%  kept
        T HA    VAL   42 - QB    ALA   64   7.64 +/- 0.34   0.432% *  2.9511% (0.98   0.02   0.02) =   0.014%
          HA    THR   46 - QB    ALA   64  11.44 +/- 0.30   0.036% *  1.2377% (0.41   0.02   0.02) =   0.001%
        T HA    PHE   55 - QB    ALA   64  12.49 +/- 0.38   0.021% *  2.0681% (0.69   0.02   0.02) =   0.000%
          HA    ALA  110 - QB    ALA   64  12.56 +/- 0.34   0.021% *  1.1299% (0.38   0.02   0.02) =   0.000%
          HA    SER   37 - QB    ALA   64  14.38 +/- 0.45   0.009% *  1.4655% (0.49   0.02   0.02) =   0.000%
          HA    GLN   90 - QB    ALA   64  16.99 +/- 0.93   0.004% *  1.4655% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 8.16:
          HN    VAL   18 - QB    ALA   64   3.34 +/- 0.41  99.940% * 99.5979% (1.00   2.25   8.16) = 100.000%  kept
          HN    SER   13 - QB    ALA   64  12.75 +/- 0.86   0.044% *  0.2467% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    ALA   64  14.65 +/- 0.33   0.016% *  0.1554% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2795 (6.70, 0.40, 18.57 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 4.86, residual support = 40.2:
        T QD    PHE   72 - QB    ALA   64   2.48 +/- 0.48  96.387% * 99.4096% (0.87   4.86  40.22) =  99.990%  kept
          HZ    PHE   72 - QB    ALA   64   4.55 +/- 0.40   3.592% *  0.2668% (0.57   0.02  40.22) =   0.010%
          QE    PHE   45 - QB    ALA   64  10.93 +/- 0.30   0.021% *  0.3237% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 4.23, residual support = 20.7:
      O   HN    ALA   64 - QB    ALA   64   2.05 +/- 0.09 100.000% *100.0000% (0.57   4.23  20.69) = 100.000%  kept
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2797 (6.92, 3.96, 58.29 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 6.08, residual support = 161.8:
      O   HN    LYS+  65 - HA    LYS+  65   2.82 +/- 0.04  99.996% * 99.9629% (0.71   6.08 161.77) = 100.000%  kept
          HN    LYS+  65 - HA    LYS+ 121  15.27 +/- 0.46   0.004% *  0.0371% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.83, support = 0.0199, residual support = 0.0199:
          HN    GLY   16 - HA    LYS+  65   7.52 +/- 0.60  63.134% * 34.8898% (0.87   0.02   0.02) =  94.560%  kept
          HN    SER  117 - HA    LYS+ 121   8.28 +/- 0.34  36.297% *  3.1809% (0.08   0.02   0.02) =   4.956%  kept
          HN    SER  117 - HA    LYS+  65  17.97 +/- 0.32   0.349% * 28.1870% (0.71   0.02   0.02) =   0.422%
          HN    GLY   16 - HA    LYS+ 121  20.20 +/- 0.75   0.178% *  3.9373% (0.10   0.02   0.02) =   0.030%
          HN    SER   82 - HA    LYS+  65  27.69 +/- 0.35   0.026% * 26.7825% (0.67   0.02   0.02) =   0.030%
          HN    SER   82 - HA    LYS+ 121  30.24 +/- 0.37   0.016% *  3.0224% (0.08   0.02   0.02) =   0.002%
    Distance limit 3.45 A violated in 20 structures by 3.49 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 = 26.5:
          HN    LYS+  65 - QB    ALA   64   2.62 +/- 0.26 100.000% *100.0000% (0.31   4.63  26.55) = 100.000%  kept
    Distance limit 3.32 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 = 40.2:
          QE    PHE   72 - HA    ALA   64   2.89 +/- 0.36  99.999% * 99.3444% (0.65   4.06  40.22) = 100.000%  kept
          HD22  ASN   28 - HA    ALA   64  21.75 +/- 0.74   0.001% *  0.6556% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 1.72, residual support = 3.22:
          HA    ASP-  62 - QB    LYS+  65   2.32 +/- 0.27  99.998% * 97.7432% (0.80   1.72   3.22) = 100.000%  kept
          HA    SER  117 - QB    LYS+  65  14.91 +/- 0.47   0.002% *  0.3160% (0.22   0.02   0.02) =   0.000%
          HB    THR   26 - QB    LYS+  65  19.86 +/- 0.44   0.000% *  0.8036% (0.57   0.02   0.02) =   0.000%
          HA    SER   82 - QB    LYS+  65  26.53 +/- 0.23   0.000% *  0.9182% (0.65   0.02   0.02) =   0.000%
          HA    GLU-  25 - QB    LYS+  65  23.55 +/- 0.37   0.000% *  0.2190% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 6.61, residual support = 161.8:
      O   HN    LYS+  65 - QB    LYS+  65   2.23 +/- 0.11 100.000% *100.0000% (0.76   6.61 161.77) = 100.000%  kept
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2803 (7.29, 1.80, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 5.95, residual support = 27.6:
          HN    LYS+  66 - QB    LYS+  65   2.91 +/- 0.15  99.459% * 98.7105% (0.53   5.95  27.59) =  99.997%  kept
          QD    PHE   60 - QB    LYS+  65   7.31 +/- 0.24   0.437% *  0.6081% (0.97   0.02   0.02) =   0.003%
          QE    PHE   59 - QB    LYS+  65   9.25 +/- 0.21   0.103% *  0.0853% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  65  24.06 +/- 0.24   0.000% *  0.5961% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.05 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 = 5.43, residual support = 161.8:
          HN    LYS+  65 - HG2   LYS+  65   2.83 +/- 0.48 100.000% *100.0000% (0.31   5.43 161.77) = 100.000%  kept
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2805 (3.97, 1.38, 25.13 ppm):
    44 chemical-shift based assignments, quality = 0.867, support = 5.27, residual support = 161.8:
      O T HA    LYS+  65 - HG3   LYS+  65   3.13 +/- 0.64  95.900% * 92.7091% (0.87   5.27 161.77) =  99.989%  kept
        T HA    GLN   32 - HG3   LYS+  33   6.30 +/- 0.85   3.176% *  0.2404% (0.59   0.02  15.31) =   0.009%
          HA2   GLY   16 - HG3   LYS+  65   8.07 +/- 1.21   0.460% *  0.3245% (0.80   0.02   0.02) =   0.002%
          HA2   GLY   16 - HG3   LYS+  33  12.99 +/- 1.75   0.045% *  0.2802% (0.69   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 106   9.63 +/- 0.84   0.201% *  0.0298% (0.07   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 106  12.04 +/- 0.89   0.051% *  0.1100% (0.27   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 102  15.63 +/- 1.32   0.011% *  0.2265% (0.56   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  65  15.03 +/- 0.78   0.013% *  0.1817% (0.45   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+  33  17.01 +/- 1.23   0.007% *  0.3036% (0.75   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 106  15.26 +/- 0.78   0.011% *  0.1362% (0.34   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 106  11.84 +/- 0.70   0.054% *  0.0230% (0.06   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  65  18.90 +/- 0.76   0.003% *  0.3515% (0.87   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 106  14.72 +/- 0.50   0.014% *  0.0762% (0.19   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+ 102  17.50 +/- 0.78   0.005% *  0.2133% (0.53   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+ 102  18.77 +/- 0.74   0.003% *  0.2641% (0.65   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  33  20.78 +/- 1.00   0.002% *  0.2802% (0.69   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG3   LYS+ 106  19.48 +/- 0.62   0.003% *  0.1475% (0.36   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  65  20.32 +/- 0.82   0.002% *  0.1666% (0.41   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 106  20.24 +/- 0.61   0.002% *  0.1475% (0.36   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+ 106  19.65 +/- 0.90   0.003% *  0.1168% (0.29   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+ 102  17.10 +/- 1.28   0.006% *  0.0446% (0.11   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+ 102  21.03 +/- 1.18   0.002% *  0.1479% (0.36   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  65  18.09 +/- 0.58   0.004% *  0.0548% (0.14   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  65  20.26 +/- 0.71   0.002% *  0.1010% (0.25   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+ 102  18.28 +/- 0.82   0.004% *  0.0578% (0.14   0.02   0.02) =   0.000%
        T HA    GLN   32 - HG3   LYS+  65  23.64 +/- 0.80   0.001% *  0.2784% (0.69   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  65  19.19 +/- 0.59   0.003% *  0.0710% (0.18   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 102  24.52 +/- 1.71   0.001% *  0.2641% (0.65   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  33  23.44 +/- 0.77   0.001% *  0.2264% (0.56   0.02   0.02) =   0.000%
        T HA    LYS+  65 - HG3   LYS+ 102  24.72 +/- 1.13   0.001% *  0.2861% (0.71   0.02   0.02) =   0.000%
          QB    SER   85 - HG3   LYS+  65  25.31 +/- 0.45   0.001% *  0.3245% (0.80   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG3   LYS+ 106  22.26 +/- 1.18   0.001% *  0.1362% (0.34   0.02   0.02) =   0.000%
          HA    ALA  120 - HG3   LYS+  33  24.61 +/- 1.17   0.001% *  0.1569% (0.39   0.02   0.02) =   0.000%
          HA    ALA   88 - HG3   LYS+  65  26.73 +/- 0.61   0.000% *  0.2621% (0.65   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+  33  27.24 +/- 0.66   0.000% *  0.3036% (0.75   0.02   0.02) =   0.000%
          HB    THR   94 - HG3   LYS+  33  20.92 +/- 0.47   0.002% *  0.0613% (0.15   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+  33  24.87 +/- 1.18   0.001% *  0.1439% (0.36   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 106  22.69 +/- 0.89   0.001% *  0.0699% (0.17   0.02   0.02) =   0.000%
          HD2   PRO   52 - HG3   LYS+ 102  28.76 +/- 0.85   0.000% *  0.2861% (0.71   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+  33  23.67 +/- 1.11   0.001% *  0.0873% (0.22   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 106  21.23 +/- 0.79   0.002% *  0.0424% (0.10   0.02   0.02) =   0.000%
        T HA    LYS+ 121 - HG3   LYS+  33  23.75 +/- 1.26   0.001% *  0.0474% (0.12   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   LYS+ 102  30.02 +/- 0.69   0.000% *  0.1356% (0.33   0.02   0.02) =   0.000%
          QB    SER   48 - HG3   LYS+ 102  27.74 +/- 0.57   0.000% *  0.0822% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2806 (7.81, 1.38, 25.13 ppm):
    12 chemical-shift based assignments, quality = 0.336, support = 2.73, residual support = 19.7:
          HN    ASP- 105 - HG3   LYS+ 106   4.01 +/- 0.08  99.109% * 91.3054% (0.34   2.73  19.68) =  99.989%  kept
          HN    ASP- 105 - HG3   LYS+ 102   9.82 +/- 0.97   0.641% *  1.2950% (0.65   0.02   0.02) =   0.009%
          HN    ALA   88 - HG3   LYS+ 106  11.94 +/- 0.83   0.160% *  0.4722% (0.24   0.02   0.02) =   0.001%
          HN    ALA   88 - HG3   LYS+ 102  16.52 +/- 0.72   0.021% *  0.9156% (0.46   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   LYS+  33  18.21 +/- 0.69   0.012% *  1.3742% (0.69   0.02   0.02) =   0.000%
          HN    ASP- 105 - HG3   LYS+  65  18.94 +/- 0.52   0.009% *  1.5913% (0.80   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  65  15.53 +/- 0.81   0.031% *  0.3066% (0.15   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  33  21.49 +/- 0.82   0.004% *  0.9716% (0.49   0.02   0.02) =   0.000%
          HN    ALA   88 - HG3   LYS+  65  25.95 +/- 0.48   0.001% *  1.1251% (0.57   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 106  19.23 +/- 0.59   0.008% *  0.1287% (0.06   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+  33  27.75 +/- 0.42   0.001% *  0.2648% (0.13   0.02   0.02) =   0.000%
          HN    PHE   55 - HG3   LYS+ 102  28.97 +/- 0.96   0.001% *  0.2495% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.18 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 = 5.0, residual support = 112.3:
      O   HN    LYS+  66 - HA    LYS+  66   2.89 +/- 0.02  99.903% * 98.4694% (0.53   5.00 112.35) = 100.000%  kept
          QD    PHE   60 - HA    LYS+  66   9.99 +/- 0.35   0.061% *  0.7218% (0.97   0.02   0.02) =   0.000%
          QE    PHE   59 - HA    LYS+  66  10.90 +/- 0.27   0.036% *  0.1012% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  81 - HA    LYS+  66  29.09 +/- 0.25   0.000% *  0.7075% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2808 (7.29, 1.82, 33.88 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.95, residual support = 112.3:
      O   HN    LYS+  66 - QB    LYS+  66   2.34 +/- 0.11  99.851% * 98.4514% (0.53   4.95 112.35) =  99.999%  kept
          QD    PHE   60 - QB    LYS+  66   7.79 +/- 0.46   0.079% *  0.7303% (0.97   0.02   0.02) =   0.001%
          QE    PHE   59 - QB    LYS+  66   7.91 +/- 0.37   0.070% *  0.1024% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  81 - QB    LYS+  66  24.98 +/- 0.38   0.000% *  0.7159% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.15 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 = 4.65, residual support = 112.3:
          HN    LYS+  66 - QG    LYS+  66   2.63 +/- 0.42  93.603% * 98.1983% (0.53   4.65 112.35) =  99.997%  kept
          HN    LYS+  66 - HG    LEU   67   5.67 +/- 0.93   5.951% *  0.0325% (0.04   0.02  10.05) =   0.002%
          QD    PHE   60 - QG    LYS+  66   8.29 +/- 0.50   0.105% *  0.7747% (0.97   0.02   0.02) =   0.001%
          QE    PHE   59 - QG    LYS+  66   8.44 +/- 0.46   0.097% *  0.1086% (0.14   0.02   0.02) =   0.000%
          QD    PHE   60 - HG    LEU   67   8.66 +/- 0.92   0.146% *  0.0596% (0.07   0.02   0.02) =   0.000%
          QE    PHE   59 - HG    LEU   67   9.50 +/- 1.42   0.097% *  0.0084% (0.01   0.02   0.02) =   0.000%
          HN    LYS+  81 - QG    LYS+  66  25.48 +/- 0.52   0.000% *  0.7594% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG    LEU   67  25.89 +/- 0.85   0.000% *  0.0585% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2810 (7.29, 1.51, 29.56 ppm):
    8 chemical-shift based assignments, quality = 0.526, support = 4.67, residual support = 112.3:
          HN    LYS+  66 - QD    LYS+  66   3.91 +/- 0.32  97.897% * 98.1093% (0.53   4.67 112.35) =  99.996%  kept
          QD    PHE   60 - QD    LYS+  66   9.73 +/- 0.67   0.422% *  0.7711% (0.97   0.02   0.02) =   0.003%
          QE    PHE   59 - QD    LYS+  66   9.95 +/- 0.71   0.377% *  0.1081% (0.14   0.02   0.02) =   0.000%
          QE    PHE   59 - HD2   LYS+ 121   8.90 +/- 1.34   1.205% *  0.0134% (0.02   0.02   0.02) =   0.000%
          QD    PHE   60 - HD2   LYS+ 121  13.96 +/- 1.15   0.060% *  0.0959% (0.12   0.02   0.02) =   0.000%
          HN    LYS+  66 - HD2   LYS+ 121  14.88 +/- 0.76   0.037% *  0.0523% (0.07   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD    LYS+  66  27.05 +/- 0.69   0.001% *  0.7558% (0.95   0.02   0.02) =   0.000%
          HN    LYS+  81 - HD2   LYS+ 121  28.66 +/- 1.36   0.001% *  0.0940% (0.12   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 0.478, support = 3.25, residual support = 61.1:
      O T HB3   LEU   67 - HB2   LEU   67   1.75 +/- 0.00  92.239% * 33.1063% (0.47   2.95  61.10) =  86.009%  kept
      O   HG    LEU   67 - HB2   LEU   67   2.72 +/- 0.25   7.677% * 64.6992% (0.53   5.13  61.10) =  13.990%  kept
          QG    LYS+  66 - HB2   LEU   67   6.14 +/- 0.36   0.053% *  0.2900% (0.61   0.02  10.05) =   0.000%
        T HG    LEU   40 - HB2   LEU   67   8.04 +/- 1.38   0.017% *  0.2900% (0.61   0.02   0.02) =   0.000%
          QB    ALA   61 - HB2   LEU   67   8.45 +/- 0.53   0.008% *  0.1690% (0.35   0.02   0.02) =   0.000%
          HG    LEU   73 - HB2   LEU   67  10.38 +/- 0.40   0.002% *  0.3351% (0.70   0.02   0.02) =   0.000%
        T HB3   LEU  115 - HB2   LEU   67  13.04 +/- 1.07   0.001% *  0.2900% (0.61   0.02   0.02) =   0.000%
          QB    ALA  120 - HB2   LEU   67  11.69 +/- 0.79   0.001% *  0.0965% (0.20   0.02   0.02) =   0.000%
          HG12  ILE   19 - HB2   LEU   67  11.75 +/- 0.70   0.001% *  0.0773% (0.16   0.02   0.02) =   0.000%
        T HG    LEU  115 - HB2   LEU   67  14.11 +/- 0.99   0.000% *  0.0965% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HB2   LEU   67  19.07 +/- 1.55   0.000% *  0.3464% (0.72   0.02   0.02) =   0.000%
          QB    ALA  110 - HB2   LEU   67  15.62 +/- 0.74   0.000% *  0.0965% (0.20   0.02   0.02) =   0.000%
          HG    LEU   80 - HB2   LEU   67  20.43 +/- 0.99   0.000% *  0.1072% (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 = 61.1:
      O T QD1   LEU   67 - HB2   LEU   67   2.23 +/- 0.22  99.777% * 97.5746% (0.70   3.25  61.10) =  99.999%  kept
        T QD2   LEU   40 - HB2   LEU   67   7.65 +/- 1.11   0.082% *  0.6102% (0.71   0.02   0.02) =   0.001%
          QD2   LEU   71 - HB2   LEU   67   7.22 +/- 0.54   0.133% *  0.1921% (0.22   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LEU   67  13.16 +/- 1.40   0.003% *  0.4985% (0.58   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   LEU   67  13.47 +/- 1.10   0.002% *  0.5583% (0.65   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LEU   67  15.78 +/- 0.70   0.001% *  0.4276% (0.50   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   LEU   67  14.56 +/- 0.59   0.001% *  0.1386% (0.16   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2813 (5.01, 0.92, 24.07 ppm):
    2 chemical-shift based assignments, quality = 0.526, support = 2.76, residual support = 61.1:
          HA    LEU   67 - QD2   LEU   67   2.53 +/- 0.60  99.997% * 98.8214% (0.53   2.76  61.10) = 100.000%  kept
          HA    ASP-  76 - QD2   LEU   67  17.27 +/- 0.78   0.003% *  1.1786% (0.87   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 3 structures by 0.10 A, kept.
 
    Peak 2814 (1.47, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.726, support = 3.19, residual support = 61.1:
      O   HG    LEU   67 - QD1   LEU   67   2.11 +/- 0.02  99.313% * 95.8589% (0.73   3.19  61.10) =  99.996%  kept
        T HG    LEU   40 - QD1   LEU   67   6.20 +/- 1.32   0.383% *  0.5019% (0.61   0.02   0.02) =   0.002%
          HB3   LEU   40 - QD1   LEU   67   6.45 +/- 1.03   0.218% *  0.7638% (0.92   0.02   0.02) =   0.002%
          QB    ALA  120 - QD1   LEU   67   9.21 +/- 2.04   0.029% *  0.8274% (1.00   0.02   0.02) =   0.000%
          HB3   LEU  115 - QD1   LEU   67  10.42 +/- 1.78   0.011% *  0.5019% (0.61   0.02   0.02) =   0.000%
        T HG    LEU  115 - QD1   LEU   67  11.39 +/- 1.77   0.006% *  0.8274% (1.00   0.02   0.02) =   0.000%
        T HG    LEU   73 - QD1   LEU   67   8.65 +/- 0.96   0.027% *  0.1449% (0.18   0.02   0.02) =   0.000%
        T HB2   LYS+  74 - QD1   LEU   67  10.56 +/- 1.13   0.008% *  0.2554% (0.31   0.02   0.02) =   0.000%
          QG2   THR   26 - QD1   LEU   67  12.15 +/- 1.33   0.004% *  0.1120% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD1   LEU   67  15.10 +/- 1.63   0.001% *  0.2063% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2815 (1.99, 0.98, 27.63 ppm):
    10 chemical-shift based assignments, quality = 0.309, support = 3.25, residual support = 61.1:
      O T HB2   LEU   67 - QD1   LEU   67   2.23 +/- 0.22  99.007% * 90.5499% (0.31   3.25  61.10) =  99.990%  kept
          HG2   PRO   68 - QD1   LEU   67   6.99 +/- 0.59   0.231% *  1.6675% (0.92   0.02  17.82) =   0.004%
          QB    GLU-  15 - QD1   LEU   67   8.24 +/- 2.51   0.524% *  0.5023% (0.28   0.02   0.02) =   0.003%
          HB    ILE   19 - QD1   LEU   67   9.11 +/- 1.79   0.078% *  1.5670% (0.87   0.02   0.02) =   0.001%
          HB2   GLN   17 - QD1   LEU   67   8.76 +/- 2.13   0.145% *  0.5023% (0.28   0.02   0.02) =   0.001%
          HB2   LEU  115 - QD1   LEU   67  11.73 +/- 1.79   0.006% *  1.2409% (0.69   0.02   0.02) =   0.000%
          QB    GLU- 114 - QD1   LEU   67  12.28 +/- 1.81   0.005% *  1.4465% (0.80   0.02   0.02) =   0.000%
          HG3   PRO   58 - QD1   LEU   67  12.65 +/- 1.06   0.003% *  1.3117% (0.73   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - QD1   LEU   67  15.56 +/- 1.90   0.001% *  0.4022% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QD1   LEU   67  19.73 +/- 1.25   0.000% *  0.8099% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.18 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 = 3.15, residual support = 61.1:
      O   QD2   LEU   67 - HG    LEU   67   2.11 +/- 0.02  95.400% * 99.3550% (0.87   3.15  61.10) =  99.991%  kept
        T QD1   LEU   40 - HG    LEU   67   5.28 +/- 1.75   1.868% *  0.4415% (0.61   0.02   0.02) =   0.009%
          QD2   LEU   67 - QG    LYS+  66   5.29 +/- 1.09   0.810% *  0.0486% (0.07   0.02  10.05) =   0.000%
          QG2   ILE  119 - QG    LYS+  66   4.26 +/- 0.49   1.817% *  0.0086% (0.01   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG    LEU   67   7.90 +/- 1.68   0.084% *  0.1123% (0.15   0.02   0.02) =   0.000%
          QD1   LEU   40 - QG    LYS+  66   8.71 +/- 0.38   0.020% *  0.0340% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.09 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 = 0.383, support = 0.02, residual support = 0.02:
          QD1   LEU  104 - QD1   LEU   67   7.28 +/- 1.58  92.581% * 12.0360% (0.22   0.02   0.02) =  76.177%  kept
          QG2   ILE   89 - QD1   LEU   67  12.56 +/- 0.62   4.941% * 52.9912% (0.98   0.02   0.02) =  17.900%  kept
          QG1   VAL   83 - QD1   LEU   67  15.07 +/- 0.83   2.477% * 34.9728% (0.65   0.02   0.02) =   5.923%  kept
    Distance limit 3.14 A violated in 20 structures by 4.02 A, eliminated.
    Peak unassigned.
 
    Peak 2818 (6.71, 0.98, 27.63 ppm):
    3 chemical-shift based assignments, quality = 0.931, support = 3.84, residual support = 34.9:
        T HZ    PHE   72 - QD1   LEU   67   2.42 +/- 0.77  71.091% * 86.1202% (0.97   4.00  34.92) =  93.896%  kept
        T QD    PHE   72 - QD1   LEU   67   3.69 +/- 0.89  28.905% * 13.7685% (0.41   1.50  34.92) =   6.104%  kept
          QE    PHE   45 - QD1   LEU   67  11.83 +/- 0.54   0.004% *  0.1113% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 34.9:
          QE    PHE   72 - QD1   LEU   67   2.45 +/- 0.33  99.877% * 99.2528% (0.80   4.00  34.92) = 100.000%  kept
          QD    PHE   95 - QD1   LEU   67   8.27 +/- 1.11   0.121% *  0.1913% (0.31   0.02   0.02) =   0.000%
          HN    ALA   47 - QD1   LEU   67  16.03 +/- 0.57   0.002% *  0.5559% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.66, support = 0.0186, residual support = 0.0186:
          HA    ALA  124 - HG    LEU   67  11.86 +/- 1.77  19.574% * 19.7896% (0.84   0.02   0.02) =  70.469%  kept
          HA    ALA  124 - QG    LYS+  66  10.35 +/- 0.79  37.177% *  1.5234% (0.06   0.02   0.02) =  10.303%  kept
        T HA    LEU  115 - HG    LEU   67  13.82 +/- 1.93   7.679% *  4.6887% (0.20   0.02   0.02) =   6.550%  kept
          HA    GLU-  36 - HG    LEU   67  18.28 +/- 1.07   1.335% * 22.4121% (0.95   0.02   0.02) =   5.444%  kept
        T HA    ARG+  54 - HG    LEU   67  19.81 +/- 1.05   0.765% * 17.2042% (0.73   0.02   0.02) =   2.394%
          HA    LEU  115 - QG    LYS+  66  10.91 +/- 0.49  26.519% *  0.3609% (0.02   0.02   0.02) =   1.741%
          HA    ARG+  54 - QG    LYS+  66  14.64 +/- 0.76   4.815% *  1.3244% (0.06   0.02   0.02) =   1.160%
          HA    ASN   28 - HG    LEU   67  19.24 +/- 0.98   0.980% *  5.2748% (0.22   0.02   0.02) =   0.940%
          HA    LYS+  81 - HG    LEU   67  25.05 +/- 0.82   0.185% * 23.4828% (0.99   0.02   0.02) =   0.789%
          HA    GLU-  36 - QG    LYS+  66  22.37 +/- 0.49   0.357% *  1.7253% (0.07   0.02   0.02) =   0.112%
          HA    LYS+  81 - QG    LYS+  66  24.56 +/- 0.54   0.204% *  1.8077% (0.08   0.02   0.02) =   0.067%
          HA    ASN   28 - QG    LYS+  66  21.93 +/- 0.71   0.410% *  0.4061% (0.02   0.02   0.02) =   0.030%
    Distance limit 4.00 A violated in 20 structures by 5.34 A, eliminated.
    Peak unassigned.
 
    Peak 2821 (5.02, 1.46, 26.01 ppm):
    4 chemical-shift based assignments, quality = 0.154, support = 3.91, residual support = 61.1:
      O   HA    LEU   67 - HG    LEU   67   3.26 +/- 0.45  96.565% * 96.6299% (0.15   3.91  61.10) =  99.999%  kept
          HA    LEU   67 - QG    LYS+  66   5.93 +/- 0.13   3.429% *  0.0381% (0.01   0.02  10.05) =   0.001%
          HA    ASP-  76 - HG    LEU   67  19.97 +/- 0.72   0.003% *  3.0939% (0.97   0.02   0.02) =   0.000%
          HA    ASP-  76 - QG    LYS+  66  18.91 +/- 0.64   0.003% *  0.2382% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.263, support = 0.0194, residual support = 0.0194:
          QD    PHE   60 - HG    LEU   67   8.66 +/- 0.92  33.870% *  5.4059% (0.18   0.02   0.02) =  58.114%  kept
          QE    PHE   95 - HG    LEU   67  11.76 +/- 1.11   5.222% * 11.5851% (0.38   0.02   0.02) =  19.203%  kept
          HE3   TRP   27 - HG    LEU   67  15.91 +/- 0.93   0.847% * 26.7757% (0.87   0.02   0.02) =   7.197%  kept
          QD    PHE   60 - QG    LYS+  66   8.29 +/- 0.50  41.095% *  0.4162% (0.01   0.02   0.02) =   5.428%  kept
          QE    PHE   95 - QG    LYS+  66   9.84 +/- 0.46  14.884% *  0.8918% (0.03   0.02   0.02) =   4.213%  kept
          QD    PHE   55 - HG    LEU   67  18.13 +/- 1.44   0.389% * 24.7171% (0.80   0.02   0.02) =   3.049%  kept
          QD    PHE   55 - QG    LYS+  66  12.92 +/- 0.63   2.920% *  1.9027% (0.06   0.02   0.02) =   1.763%
          HN    THR   23 - HG    LEU   67  21.17 +/- 1.14   0.159% * 10.5293% (0.34   0.02   0.02) =   0.532%
          HE3   TRP   27 - QG    LYS+  66  17.93 +/- 0.57   0.401% *  2.0612% (0.07   0.02   0.02) =   0.263%
          HN    LYS+  81 - HG    LEU   67  25.89 +/- 0.85   0.043% * 13.8391% (0.45   0.02   0.02) =   0.190%
          HN    THR   23 - QG    LYS+  66  21.87 +/- 0.67   0.122% *  0.8106% (0.03   0.02   0.02) =   0.031%
          HN    LYS+  81 - QG    LYS+  66  25.48 +/- 0.52   0.048% *  1.0653% (0.03   0.02   0.02) =   0.016%
    Distance limit 3.76 A violated in 20 structures by 3.37 A, eliminated.
    Peak unassigned.
 
    Peak 2823 (1.99, 1.43, 42.52 ppm):
    10 chemical-shift based assignments, quality = 0.292, support = 2.95, residual support = 61.1:
      O T HB2   LEU   67 - HB3   LEU   67   1.75 +/- 0.00  99.936% * 89.6872% (0.29   2.95  61.10) =  99.999%  kept
          HG2   PRO   68 - HB3   LEU   67   6.44 +/- 0.53   0.049% *  1.8198% (0.87   0.02  17.82) =   0.001%
          QB    GLU-  15 - HB3   LEU   67   8.94 +/- 1.17   0.008% *  0.5481% (0.26   0.02   0.02) =   0.000%
        T HB    ILE   19 - HB3   LEU   67  10.77 +/- 0.86   0.002% *  1.7100% (0.82   0.02   0.02) =   0.000%
          HB2   GLN   17 - HB3   LEU   67  10.37 +/- 1.20   0.004% *  0.5481% (0.26   0.02   0.02) =   0.000%
          HB2   LEU  115 - HB3   LEU   67  15.46 +/- 0.64   0.000% *  1.3541% (0.65   0.02   0.02) =   0.000%
          QB    GLU- 114 - HB3   LEU   67  15.96 +/- 0.62   0.000% *  1.5785% (0.76   0.02   0.02) =   0.000%
          HG3   PRO   58 - HB3   LEU   67  16.22 +/- 0.53   0.000% *  1.4315% (0.69   0.02   0.02) =   0.000%
          HB2   LYS+ 111 - HB3   LEU   67  20.08 +/- 0.60   0.000% *  0.4389% (0.21   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HB3   LEU   67  23.55 +/- 0.67   0.000% *  0.8838% (0.42   0.02   0.02) =   0.000%
    Distance limit 2.63 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  19.14 +/- 0.55 100.000% *100.0000% (0.54   0.02   0.02) = 100.000%  kept
    Distance limit 3.65 A violated in 20 structures by 15.50 A, eliminated.
    Peak unassigned.
 
    Peak 2825 (7.36, 1.43, 42.52 ppm):
    6 chemical-shift based assignments, quality = 0.536, support = 4.78, residual support = 61.1:
      O   HN    LEU   67 - HB3   LEU   67   3.48 +/- 0.35  99.897% * 97.7151% (0.54   4.78  61.10) = 100.000%  kept
          QE    PHE   95 - HB3   LEU   67  11.37 +/- 0.47   0.090% *  0.1429% (0.19   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB3   LEU   67  18.61 +/- 0.76   0.005% *  0.6262% (0.82   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   LEU   67  19.21 +/- 0.81   0.004% *  0.7076% (0.93   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   LEU   67  24.61 +/- 0.59   0.001% *  0.6475% (0.85   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   LEU   67  20.14 +/- 0.67   0.003% *  0.1607% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2826 (5.01, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.382, support = 5.08, residual support = 61.1:
      O   HA    LEU   67 - HB2   LEU   67   2.88 +/- 0.18  99.998% * 99.3549% (0.38   5.08  61.10) = 100.000%  kept
          HA    ASP-  76 - HB2   LEU   67  18.45 +/- 0.51   0.002% *  0.6451% (0.63   0.02   0.02) =   0.000%
    Distance limit 3.77 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 = 34.9:
          QE    PHE   72 - HB2   LEU   67   2.67 +/- 0.44  99.960% * 98.9921% (0.58   2.96  34.92) = 100.000%  kept
          QD    PHE   95 - HB2   LEU   67  10.36 +/- 0.84   0.039% *  0.2581% (0.22   0.02   0.02) =   0.000%
          HN    ALA   47 - HB2   LEU   67  19.26 +/- 0.61   0.001% *  0.7499% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 5.14, residual support = 61.1:
      O   HN    LEU   67 - HB2   LEU   67   2.53 +/- 0.38  99.970% * 98.4738% (0.70   5.14  61.10) = 100.000%  kept
          QE    PHE   95 - HB2   LEU   67  10.56 +/- 0.73   0.023% *  0.2408% (0.44   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU   67  18.67 +/- 0.43   0.001% *  0.3317% (0.61   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU   67  14.77 +/- 0.51   0.003% *  0.0695% (0.13   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU   67  19.88 +/- 0.37   0.001% *  0.2569% (0.47   0.02   0.02) =   0.000%
          QD    PHE   55 - HB2   LEU   67  17.09 +/- 0.82   0.001% *  0.0884% (0.16   0.02   0.02) =   0.000%
          HD21  ASN   35 - HB2   LEU   67  19.46 +/- 0.66   0.001% *  0.1632% (0.30   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   LEU   67  23.69 +/- 0.62   0.000% *  0.3756% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2831 (6.72, 1.98, 42.52 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.96, residual support = 34.9:
        T HZ    PHE   72 - HB2   LEU   67   2.65 +/- 0.60  99.996% * 99.8798% (0.63   2.96  34.92) = 100.000%  kept
          HZ2   TRP   27 - HB2   LEU   67  16.05 +/- 0.78   0.004% *  0.1202% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 1 structures by 0.02 A, kept.
 
    Peak 2832 (3.78, 2.11, 31.99 ppm):
    6 chemical-shift based assignments, quality = 0.551, support = 4.02, residual support = 64.4:
      O T HA    VAL   24 - HB    VAL   24   2.74 +/- 0.33  87.589% * 77.2913% (0.57   3.97  65.56) =  96.263%  kept
      O   HD2   PRO   68 - HB2   PRO   68   3.90 +/- 0.12  12.407% * 21.1847% (0.11   5.47  35.64) =   3.737%  kept
          HA    LYS+  38 - HB2   PRO   68  15.98 +/- 1.48   0.003% *  0.5416% (0.79   0.02   0.02) =   0.000%
          HA    LYS+  38 - HB    VAL   24  20.08 +/- 0.52   0.001% *  0.4412% (0.64   0.02   0.02) =   0.000%
        T HA    VAL   24 - HB2   PRO   68  24.48 +/- 0.93   0.000% *  0.4782% (0.70   0.02   0.02) =   0.000%
          HD2   PRO   68 - HB    VAL   24  26.26 +/- 1.17   0.000% *  0.0631% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 65.6:
      O T QG1   VAL   24 - HB    VAL   24   2.12 +/- 0.02  99.987% * 95.0489% (0.63   3.36  65.56) = 100.000%  kept
          HB3   LEU   31 - HB    VAL   24  10.88 +/- 0.50   0.006% *  0.4209% (0.47   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB2   PRO   68  13.87 +/- 1.10   0.001% *  0.4866% (0.54   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL   24  11.73 +/- 0.24   0.003% *  0.1213% (0.13   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB2   PRO   68  16.10 +/- 0.96   0.001% *  0.4563% (0.51   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PRO   68  15.72 +/- 1.77   0.001% *  0.1489% (0.17   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB2   PRO   68  21.16 +/- 1.61   0.000% *  0.7373% (0.82   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PRO   68  19.73 +/- 0.37   0.000% *  0.5167% (0.57   0.02   0.02) =   0.000%
          QG1   VAL  107 - HB    VAL   24  19.87 +/- 0.84   0.000% *  0.3717% (0.41   0.02   0.02) =   0.000%
        T QG1   VAL   24 - HB2   PRO   68  22.77 +/- 0.89   0.000% *  0.6944% (0.77   0.02   0.02) =   0.000%
          HG13  ILE  119 - HB    VAL   24  25.44 +/- 0.99   0.000% *  0.3964% (0.44   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL   24  29.51 +/- 1.31   0.000% *  0.6006% (0.67   0.02   0.02) =   0.000%
    Distance limit 3.03 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 = 5.79, residual support = 31.5:
          HN    GLU-  25 - HB    VAL   24   3.39 +/- 0.65  60.000% * 34.8461% (0.31   5.74  35.83) =  56.456%  kept
      O   HN    ASN   69 - HB2   PRO   68   3.85 +/- 0.63  36.503% * 42.0620% (0.34   6.15  27.20) =  41.459%  kept
          HN    ASN   28 - HB    VAL   24   5.36 +/- 0.20   3.475% * 22.2169% (0.66   1.70  13.25) =   2.085%
          HN    ASP-  44 - HB    VAL   24  13.70 +/- 0.96   0.017% *  0.1318% (0.33   0.02   0.02) =   0.000%
          HN    ASP-  44 - HB2   PRO   68  16.69 +/- 0.62   0.004% *  0.1618% (0.41   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   PRO   68  22.72 +/- 0.87   0.001% *  0.3209% (0.81   0.02   0.02) =   0.000%
          HN    ASN   69 - HB    VAL   24  24.88 +/- 0.59   0.000% *  0.1114% (0.28   0.02   0.02) =   0.000%
          HN    GLU-  25 - HB2   PRO   68  26.33 +/- 1.18   0.000% *  0.1491% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2835 (9.23, 2.11, 31.99 ppm):
    2 chemical-shift based assignments, quality = 0.331, support = 4.69, residual support = 65.6:
      O   HN    VAL   24 - HB    VAL   24   2.43 +/- 0.22 100.000% * 99.4789% (0.33   4.69  65.56) = 100.000%  kept
          HN    VAL   24 - HB2   PRO   68  26.63 +/- 1.12   0.000% *  0.5211% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2836 (3.34, 1.98, 27.31 ppm):
    6 chemical-shift based assignments, quality = 0.574, support = 3.08, residual support = 35.6:
      O   HD3   PRO   68 - HG2   PRO   68   2.48 +/- 0.27  99.997% * 96.9119% (0.57   3.08  35.64) = 100.000%  kept
          HB2   PHE   59 - HG2   PRO   68  15.67 +/- 0.76   0.002% *  0.3669% (0.33   0.02   0.02) =   0.000%
          QB    PHE   55 - HG2   PRO   68  20.31 +/- 0.70   0.000% *  0.5761% (0.52   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG2   PRO   68  22.30 +/- 0.82   0.000% *  0.7389% (0.67   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG2   PRO   68  24.99 +/- 1.63   0.000% *  0.7522% (0.69   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG2   PRO   68  25.02 +/- 0.69   0.000% *  0.6539% (0.60   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 2.97, residual support = 35.6:
      O   HD2   PRO   68 - HG2   PRO   68   2.70 +/- 0.26  99.975% * 98.8050% (0.63   2.97  35.64) = 100.000%  kept
          HA    ALA   61 - HG2   PRO   68  11.78 +/- 1.20   0.022% *  0.5500% (0.52   0.02   0.02) =   0.000%
          HA    LYS+  38 - HG2   PRO   68  16.76 +/- 2.05   0.002% *  0.1110% (0.11   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG2   PRO   68  17.67 +/- 0.72   0.002% *  0.0974% (0.09   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   PRO   68  25.17 +/- 0.59   0.000% *  0.4365% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 0.704, support = 4.67, residual support = 59.4:
      O   HD3   PRO   68 - HG3   PRO   68   2.73 +/- 0.28  51.664% * 64.9751% (0.84   4.74  35.64) =  78.052%  kept
      O T HD2   ARG+  54 - HG2   ARG+  54   2.87 +/- 0.14  38.575% * 21.7009% (0.27   4.97 162.20) =  19.464%  kept
          QB    PHE   55 - HG2   ARG+  54   5.30 +/- 1.51   9.124% * 11.7015% (0.20   3.50   2.99) =   2.482%
          HB3   CYS   53 - HG2   ARG+  54   5.97 +/- 0.62   0.591% *  0.0859% (0.26   0.02  30.50) =   0.001%
          HD3   PRO   93 - HG2   ARG+  54   9.44 +/- 0.53   0.031% *  0.0760% (0.23   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG2   ARG+  54  10.98 +/- 0.78   0.013% *  0.0426% (0.13   0.02   0.02) =   0.000%
          HB2   PHE   59 - HG3   PRO   68  16.31 +/- 1.06   0.001% *  0.1598% (0.49   0.02   0.02) =   0.000%
          QB    PHE   55 - HG3   PRO   68  21.00 +/- 0.74   0.000% *  0.2509% (0.76   0.02   0.02) =   0.000%
          HB3   CYS   53 - HG3   PRO   68  23.01 +/- 0.76   0.000% *  0.3218% (0.98   0.02   0.02) =   0.000%
        T HD2   ARG+  54 - HG3   PRO   68  25.92 +/- 1.11   0.000% *  0.3276% (1.00   0.02   0.02) =   0.000%
          HD3   PRO   93 - HG3   PRO   68  25.59 +/- 0.99   0.000% *  0.2848% (0.87   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG2   ARG+  54  22.86 +/- 0.62   0.000% *  0.0732% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 35.6:
      O   HD2   PRO   68 - HG3   PRO   68   2.47 +/- 0.27  99.809% * 98.9119% (0.92   4.63  35.64) = 100.000%  kept
          HD3   PRO   58 - HG2   ARG+  54   7.77 +/- 0.82   0.176% *  0.0167% (0.04   0.02   0.02) =   0.000%
          HA    ALA   61 - HG3   PRO   68  12.61 +/- 0.65   0.006% *  0.3539% (0.76   0.02   0.02) =   0.000%
          HA    ALA   61 - HG2   ARG+  54  13.30 +/- 0.69   0.006% *  0.0944% (0.20   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG3   PRO   68  16.05 +/- 1.27   0.002% *  0.0714% (0.15   0.02   0.02) =   0.000%
          HD3   PRO   58 - HG3   PRO   68  18.49 +/- 0.70   0.001% *  0.0627% (0.14   0.02   0.02) =   0.000%
          HA    VAL   24 - HG3   PRO   68  25.23 +/- 0.52   0.000% *  0.2809% (0.61   0.02   0.02) =   0.000%
          HD2   PRO   68 - HG2   ARG+  54  23.73 +/- 0.96   0.000% *  0.1141% (0.25   0.02   0.02) =   0.000%
          HA    VAL   24 - HG2   ARG+  54  23.76 +/- 1.11   0.000% *  0.0749% (0.16   0.02   0.02) =   0.000%
        T HA    LYS+  38 - HG2   ARG+  54  31.59 +/- 0.56   0.000% *  0.0191% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 5.11, residual support = 35.6:
      O T HD3   PRO   68 - HD2   PRO   68   1.75 +/- 0.00  98.920% * 98.0801% (0.98   5.11  35.64) = 100.000%  kept
          HB2   PHE   59 - HD3   PRO   58   3.95 +/- 0.25   0.815% *  0.0273% (0.07   0.02  37.68) =   0.000%
          QB    PHE   55 - HD3   PRO   58   4.84 +/- 0.29   0.235% *  0.0295% (0.08   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD3   PRO   58   7.62 +/- 0.55   0.017% *  0.0247% (0.06   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD3   PRO   58   8.50 +/- 0.84   0.010% *  0.0226% (0.06   0.02   0.02) =   0.000%
          HB2   PHE   59 - HD2   PRO   68  14.64 +/- 0.88   0.000% *  0.3618% (0.92   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD3   PRO   58  10.27 +/- 0.19   0.002% *  0.0285% (0.07   0.02   0.02) =   0.000%
          QB    PHE   55 - HD2   PRO   68  19.62 +/- 0.59   0.000% *  0.3911% (1.00   0.02   0.02) =   0.000%
          HB3   CYS   53 - HD2   PRO   68  21.35 +/- 1.00   0.000% *  0.3274% (0.84   0.02   0.02) =   0.000%
        T HD3   PRO   93 - HD2   PRO   68  23.79 +/- 0.92   0.000% *  0.3783% (0.97   0.02   0.02) =   0.000%
        T HD3   PRO   68 - HD3   PRO   58  16.07 +/- 0.64   0.000% *  0.0290% (0.07   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HD2   PRO   68  24.58 +/- 1.31   0.000% *  0.2996% (0.76   0.02   0.02) =   0.000%
    Distance limit 2.59 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 = 5.11, residual support = 35.6:
      O T HD2   PRO   68 - HD3   PRO   68   1.75 +/- 0.00  99.994% * 99.1022% (0.92   5.11  35.64) = 100.000%  kept
          HA    ALA   61 - HD3   PRO   68  10.40 +/- 0.68   0.002% *  0.3214% (0.76   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   93  10.27 +/- 0.19   0.002% *  0.0104% (0.02   0.02   0.02) =   0.000%
          HA    ALA   61 - HD3   PRO   93  15.45 +/- 0.27   0.000% *  0.0590% (0.14   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   68  16.32 +/- 0.93   0.000% *  0.0649% (0.15   0.02   0.02) =   0.000%
        T HD3   PRO   58 - HD3   PRO   68  16.07 +/- 0.64   0.000% *  0.0569% (0.14   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   68  24.10 +/- 0.46   0.000% *  0.2551% (0.61   0.02   0.02) =   0.000%
          HA    VAL   24 - HD3   PRO   93  19.13 +/- 0.38   0.000% *  0.0468% (0.11   0.02   0.02) =   0.000%
        T HD2   PRO   68 - HD3   PRO   93  23.79 +/- 0.92   0.000% *  0.0713% (0.17   0.02   0.02) =   0.000%
          HA    LYS+  38 - HD3   PRO   93  27.54 +/- 0.23   0.000% *  0.0119% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2844 (5.01, 3.33, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.9, residual support = 17.8:
      O   HA    LEU   67 - HD3   PRO   68   2.36 +/- 0.25  99.974% * 99.1361% (0.53   4.90  17.82) = 100.000%  kept
          HA    ASP-  76 - HD3   PRO   93   9.75 +/- 0.46   0.025% *  0.1225% (0.16   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD3   PRO   68  22.19 +/- 0.45   0.000% *  0.6671% (0.87   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   93  22.15 +/- 0.60   0.000% *  0.0743% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2845 (5.01, 3.75, 50.60 ppm):
    4 chemical-shift based assignments, quality = 0.526, support = 4.53, residual support = 17.8:
      O   HA    LEU   67 - HD2   PRO   68   2.32 +/- 0.13  99.997% * 99.1904% (0.53   4.53  17.82) = 100.000%  kept
          HA    ASP-  76 - HD3   PRO   58  14.34 +/- 0.25   0.002% *  0.0545% (0.07   0.02   0.02) =   0.000%
          HA    ASP-  76 - HD2   PRO   68  22.38 +/- 0.83   0.000% *  0.7220% (0.87   0.02   0.02) =   0.000%
          HA    LEU   67 - HD3   PRO   58  15.49 +/- 0.57   0.001% *  0.0330% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2846 (7.70, 2.90, 37.49 ppm):
    6 chemical-shift based assignments, quality = 0.647, support = 3.63, residual support = 61.5:
      O   HD21  ASN   69 - HB2   ASN   69   2.53 +/- 0.27  99.972% * 97.7644% (0.65   3.63  61.50) = 100.000%  kept
          HN    GLN   17 - HB2   ASN   69  10.63 +/- 0.86   0.026% *  0.6950% (0.84   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   ASN   69  16.70 +/- 0.56   0.001% *  0.2568% (0.31   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB2   ASN   69  20.62 +/- 1.00   0.000% *  0.5047% (0.61   0.02   0.02) =   0.000%
          HN    TRP   87 - HB2   ASN   69  25.21 +/- 0.87   0.000% *  0.5716% (0.69   0.02   0.02) =   0.000%
          HN    ALA   91 - HB2   ASN   69  28.11 +/- 0.93   0.000% *  0.2075% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2847 (8.82, 2.90, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 5.44, residual support = 61.5:
      O   HN    ASN   69 - HB2   ASN   69   3.46 +/- 0.36  99.967% * 99.7852% (0.97   5.44  61.50) = 100.000%  kept
          HN    GLY  101 - HB2   ASN   69  14.54 +/- 1.36   0.030% *  0.0586% (0.15   0.02   0.02) =   0.000%
          HN    ASN   28 - HB2   ASN   69  20.94 +/- 0.64   0.003% *  0.1562% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2848 (7.69, 2.81, 37.49 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.6, residual support = 61.5:
      O   HD21  ASN   69 - HB3   ASN   69   3.51 +/- 0.16  99.847% * 98.7942% (0.99   3.60  61.50) =  99.999%  kept
          HN    GLN   17 - HB3   ASN   69  10.60 +/- 0.80   0.150% *  0.5432% (0.98   0.02   0.02) =   0.001%
          HN    TRP   87 - HB3   ASN   69  25.49 +/- 0.68   0.001% *  0.5529% (1.00   0.02   0.02) =   0.000%
          HE3   TRP   87 - HB3   ASN   69  20.91 +/- 0.82   0.002% *  0.1097% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2849 (8.82, 2.81, 37.49 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 4.93, residual support = 61.5:
      O   HN    ASN   69 - HB3   ASN   69   3.47 +/- 0.43  99.975% * 99.7630% (0.97   4.93  61.50) = 100.000%  kept
          HN    GLY  101 - HB3   ASN   69  14.89 +/- 0.90   0.022% *  0.0647% (0.15   0.02   0.02) =   0.000%
          HN    ASN   28 - HB3   ASN   69  21.15 +/- 0.71   0.002% *  0.1723% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2850 (7.71, 4.68, 53.57 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.39, residual support = 61.5:
          HD21  ASN   69 - HA    ASN   69   3.65 +/- 0.13  99.160% * 90.6698% (0.20   3.40  61.50) =  99.991%  kept
          HN    GLN   17 - HA    ASN   69   8.41 +/- 0.79   0.813% *  0.9206% (0.34   0.02   0.02) =   0.008%
          HN    ALA   61 - HA    ASN   69  15.38 +/- 0.28   0.018% *  2.1611% (0.80   0.02   0.02) =   0.000%
          HE3   TRP   87 - HA    ASN   69  20.40 +/- 0.64   0.003% *  2.6750% (0.99   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ASN   69  19.76 +/- 0.41   0.004% *  1.0129% (0.38   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ASN   69  27.42 +/- 0.66   0.001% *  1.9598% (0.73   0.02   0.02) =   0.000%
          HN    TRP   87 - HA    ASN   69  24.71 +/- 0.46   0.001% *  0.6009% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 0 structures by 0.02 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  15.45 +/- 0.63 100.000% *100.0000% (0.90   0.02   0.02) = 100.000%  kept
    Distance limit 3.58 A violated in 20 structures by 11.87 A, eliminated.
    Peak unassigned.
 
    Peak 2852 (1.31, 4.01, 61.79 ppm):
    21 chemical-shift based assignments, quality = 0.32, support = 0.0195, residual support = 0.0195:
          QG2   THR   77 - HA    SER   48   6.72 +/- 0.20  50.212% *  3.9121% (0.23   0.02   0.02) =  41.412%  kept
          HG2   LYS+  99 - HA    VAL   70   7.72 +/- 0.77  24.145% *  7.1226% (0.41   0.02   0.02) =  36.256%  kept
          QG2   THR   77 - HB2   SER   82  10.23 +/- 0.40   4.172% *  8.3214% (0.48   0.02   0.02) =   7.319%  kept
          QG2   THR   23 - HB2   SER   82   8.47 +/- 0.33  12.507% *  1.8692% (0.11   0.02   0.02) =   4.928%  kept
          HG2   LYS+  38 - HA    VAL   70  11.26 +/- 0.47   2.271% *  9.1152% (0.53   0.02   0.02) =   4.363%  kept
        T QB    ALA   88 - HB2   SER   82  11.35 +/- 0.12   2.157% *  7.2826% (0.42   0.02   0.02) =   3.312%  kept
          QG2   THR   77 - HA    VAL   70  17.43 +/- 0.32   0.166% * 17.1719% (0.99   0.02   0.02) =   0.599%
          QB    ALA   88 - HA    VAL   70  17.98 +/- 0.74   0.141% * 15.0284% (0.87   0.02   0.02) =   0.447%
          QG2   THR   23 - HA    SER   48  11.31 +/- 0.57   2.352% *  0.8787% (0.05   0.02   0.02) =   0.436%
          HB2   LEU   31 - HA    VAL   70  13.58 +/- 0.39   0.746% *  2.6732% (0.15   0.02   0.02) =   0.421%
        T QB    ALA   88 - HA    SER   48  15.82 +/- 0.59   0.298% *  3.4238% (0.20   0.02   0.02) =   0.215%
          HB2   LEU   31 - HB2   SER   82  14.53 +/- 0.79   0.524% *  1.2954% (0.07   0.02   0.02) =   0.143%
          QG2   THR   23 - HA    VAL   70  19.49 +/- 0.27   0.085% *  3.8572% (0.22   0.02   0.02) =   0.069%
          HG2   LYS+ 111 - HA    VAL   70  23.88 +/- 0.47   0.025% *  3.4286% (0.20   0.02   0.02) =   0.018%
          HG2   LYS+  38 - HB2   SER   82  25.43 +/- 1.00   0.018% *  4.4171% (0.25   0.02   0.02) =   0.017%
          HG2   LYS+ 111 - HA    SER   48  19.48 +/- 0.54   0.085% *  0.7811% (0.05   0.02   0.02) =   0.014%
          HG2   LYS+  99 - HB2   SER   82  25.39 +/- 0.67   0.017% *  3.4516% (0.20   0.02   0.02) =   0.013%
          HG2   LYS+ 111 - HB2   SER   82  24.99 +/- 0.67   0.019% *  1.6615% (0.10   0.02   0.02) =   0.007%
          HB2   LEU   31 - HA    SER   48  21.60 +/- 0.63   0.046% *  0.6090% (0.04   0.02   0.02) =   0.006%
          HG2   LYS+  99 - HA    SER   48  28.52 +/- 0.61   0.009% *  1.6227% (0.09   0.02   0.02) =   0.003%
          HG2   LYS+  38 - HA    SER   48  31.23 +/- 0.65   0.005% *  2.0766% (0.12   0.02   0.02) =   0.002%
    Distance limit 3.50 A violated in 20 structures by 2.52 A, eliminated.
    Peak unassigned.
 
    Peak 2853 (8.14, 4.01, 61.79 ppm):
    12 chemical-shift based assignments, quality = 0.867, support = 4.89, residual support = 31.3:
      O   HN    LEU   71 - HA    VAL   70   2.25 +/- 0.02  99.993% * 99.0148% (0.87   4.89  31.30) = 100.000%  kept
          HN    THR   26 - HB2   SER   82  11.96 +/- 0.56   0.005% *  0.0564% (0.12   0.02   0.02) =   0.000%
          HN    THR   26 - HA    VAL   70  19.03 +/- 0.38   0.000% *  0.1164% (0.25   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    VAL   70  21.52 +/- 0.42   0.000% *  0.2273% (0.49   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    VAL   70  19.10 +/- 0.46   0.000% *  0.0632% (0.14   0.02   0.02) =   0.000%
          HN    THR   26 - HA    SER   48  16.68 +/- 0.69   0.001% *  0.0265% (0.06   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   SER   82  23.29 +/- 0.58   0.000% *  0.1962% (0.42   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    SER   48  23.32 +/- 0.48   0.000% *  0.0923% (0.20   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    SER   48  21.81 +/- 0.39   0.000% *  0.0518% (0.11   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   SER   82  27.57 +/- 0.52   0.000% *  0.1101% (0.24   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    SER   48  22.12 +/- 0.24   0.000% *  0.0144% (0.03   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   SER   82  28.84 +/- 0.49   0.000% *  0.0306% (0.07   0.02   0.02) =   0.000%
    Distance limit 2.92 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 = 0.857, support = 3.47, residual support = 40.0:
        T HZ    PHE   72 - HB    VAL   70   3.48 +/- 0.64  58.983% * 71.9670% (1.00   3.30  40.04) =  79.570%  kept
          QD    PHE   72 - HB    VAL   70   3.86 +/- 0.69  39.151% * 27.8360% (0.31   4.12  40.04) =  20.429%  kept
          QD    PHE   72 - QG    GLN   17   6.78 +/- 0.39   1.668% *  0.0251% (0.06   0.02   0.02) =   0.001%
        T HZ    PHE   72 - QG    GLN   17   9.84 +/- 0.60   0.162% *  0.0811% (0.19   0.02   0.02) =   0.000%
          QE    PHE   45 - HB    VAL   70  13.70 +/- 0.35   0.018% *  0.0766% (0.18   0.02   0.02) =   0.000%
          QE    PHE   45 - QG    GLN   17  14.25 +/- 0.78   0.018% *  0.0142% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 3 structures by 0.05 A, kept.
 
    Peak 2855 (7.00, 2.20, 34.17 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 3.9, residual support = 40.0:
          QE    PHE   72 - HB    VAL   70   2.21 +/- 0.63  99.778% * 98.8122% (0.73   3.90  40.04) = 100.000%  kept
          QE    PHE   72 - QG    GLN   17   8.07 +/- 0.48   0.192% *  0.0942% (0.13   0.02   0.02) =   0.000%
          QD    PHE   95 - HB    VAL   70  10.76 +/- 0.45   0.019% *  0.2620% (0.38   0.02   0.02) =   0.000%
          QD    PHE   95 - QG    GLN   17  12.65 +/- 0.23   0.009% *  0.0487% (0.07   0.02   0.02) =   0.000%
          HN    ALA   47 - HB    VAL   70  20.24 +/- 0.66   0.000% *  0.6603% (0.95   0.02   0.02) =   0.000%
          HN    ALA   47 - QG    GLN   17  16.24 +/- 0.60   0.002% *  0.1227% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2856 (7.99, 2.20, 34.17 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 4.63, residual support = 83.5:
      O   HN    VAL   70 - HB    VAL   70   2.68 +/- 0.40  99.881% * 99.7139% (0.76   4.63  83.50) = 100.000%  kept
          HN    VAL   70 - QG    GLN   17   9.37 +/- 0.63   0.117% *  0.0800% (0.14   0.02   0.02) =   0.000%
          HN    GLU-  79 - HB    VAL   70  22.21 +/- 0.54   0.000% *  0.1739% (0.31   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG    GLN   17  17.62 +/- 0.85   0.002% *  0.0323% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 3 structures by 0.05 A, kept.
 
    Peak 2857 (8.01, 0.86, 24.07 ppm):
    3 chemical-shift based assignments, quality = 0.278, support = 5.17, residual support = 83.5:
          HN    VAL   70 - QG1   VAL   70   2.17 +/- 0.33  99.998% * 98.3891% (0.28   5.17  83.50) = 100.000%  kept
          HN    THR   94 - QG1   VAL   70  14.52 +/- 0.38   0.002% *  0.5141% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  79 - QG1   VAL   70  19.89 +/- 0.26   0.000% *  1.0968% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2859 (8.93, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.347, support = 1.27, residual support = 1.25:
          HN    VAL   42 - QG2   VAL   70   2.99 +/- 0.22  98.001% * 96.2193% (0.35   1.27   1.25) =  99.965%  kept
          HN    LEU   73 - QG2   VAL   70   5.97 +/- 0.20   1.684% *  1.5173% (0.35   0.02   0.02) =   0.027%
          HN    ILE   19 - QG2   VAL   70   7.95 +/- 0.40   0.315% *  2.2635% (0.52   0.02   0.02) =   0.008%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2860 (1.46, 0.19, 22.28 ppm):
    11 chemical-shift based assignments, quality = 0.459, support = 3.99, residual support = 32.8:
        T HG    LEU   40 - QG2   VAL   70   2.56 +/- 0.83  53.728% * 69.4430% (0.54   3.99  32.81) =  75.639%  kept
        T HB3   LEU   40 - QG2   VAL   70   2.66 +/- 0.82  41.979% * 28.6041% (0.22   3.99  32.81) =  24.343%  kept
          HG    LEU   67 - QG2   VAL   70   4.64 +/- 1.16   1.982% *  0.3459% (0.53   0.02   0.10) =   0.014%
          HB3   LEU   67 - QG2   VAL   70   3.68 +/- 0.70   2.222% *  0.0970% (0.15   0.02   0.10) =   0.004%
        T HG    LEU   73 - QG2   VAL   70   6.30 +/- 0.22   0.066% *  0.2258% (0.35   0.02   0.02) =   0.000%
          QG    LYS+  66 - QG2   VAL   70   8.50 +/- 0.33   0.011% *  0.1565% (0.24   0.02   0.02) =   0.000%
          QB    ALA  120 - QG2   VAL   70  10.62 +/- 0.40   0.003% *  0.2258% (0.35   0.02   0.02) =   0.000%
        T HB3   LEU  115 - QG2   VAL   70  11.66 +/- 0.67   0.002% *  0.3482% (0.54   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QG2   VAL   70  11.82 +/- 1.05   0.002% *  0.2667% (0.41   0.02   0.02) =   0.000%
          QB    ALA   61 - QG2   VAL   70   9.56 +/- 0.32   0.005% *  0.0611% (0.09   0.02   0.02) =   0.000%
        T HG    LEU  115 - QG2   VAL   70  13.07 +/- 0.92   0.001% *  0.2258% (0.35   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2861 (6.70, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.398, support = 4.09, residual support = 40.0:
        T QD    PHE   72 - QG2   VAL   70   3.03 +/- 0.52  59.497% * 51.7419% (0.43   3.86  40.04) =  61.299%  kept
        T HZ    PHE   72 - QG2   VAL   70   3.37 +/- 0.64  40.445% * 48.0552% (0.35   4.44  40.04) =  38.701%  kept
          QE    PHE   45 - QG2   VAL   70  10.12 +/- 0.27   0.057% *  0.2029% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2862 (6.99, 0.19, 22.28 ppm):
    3 chemical-shift based assignments, quality = 0.536, support = 4.44, residual support = 40.0:
          QE    PHE   72 - QG2   VAL   70   2.37 +/- 0.60  99.995% * 99.6110% (0.54   4.44  40.04) = 100.000%  kept
          HN    ALA   47 - QG2   VAL   70  16.27 +/- 0.28   0.002% *  0.2360% (0.28   0.02   0.02) =   0.000%
          HD22  ASN   28 - QG2   VAL   70  15.77 +/- 0.55   0.003% *  0.1530% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2863 (8.16, 0.19, 22.28 ppm):
    5 chemical-shift based assignments, quality = 0.507, support = 6.15, residual support = 31.3:
          HN    LEU   71 - QG2   VAL   70   2.34 +/- 0.12  99.972% * 99.3565% (0.51   6.15  31.30) = 100.000%  kept
          HN    PHE   60 - QG2   VAL   70  10.05 +/- 0.39   0.017% *  0.0462% (0.07   0.02   0.02) =   0.000%
          HN    THR  118 - QG2   VAL   70  11.73 +/- 0.36   0.007% *  0.0949% (0.15   0.02   0.02) =   0.000%
          HN    GLN  116 - QG2   VAL   70  13.70 +/- 0.47   0.003% *  0.1796% (0.28   0.02   0.02) =   0.000%
          HN    GLU- 114 - QG2   VAL   70  15.54 +/- 0.39   0.001% *  0.3229% (0.51   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.698, support = 2.24, residual support = 40.0:
        T HZ    PHE   72 - QG1   VAL   70   3.69 +/- 0.87  77.204% * 37.1146% (0.65   2.00  40.04) =  66.851%  kept
          QD    PHE   72 - QG1   VAL   70   4.72 +/- 0.45  22.719% * 62.5382% (0.80   2.73  40.04) =  33.148%  kept
          QE    PHE   45 - QG1   VAL   70  12.35 +/- 0.27   0.078% *  0.3472% (0.61   0.02   0.02) =   0.001%
    Distance limit 3.81 A violated in 0 structures by 0.09 A, kept.
 
    Peak 2865 (4.88, 1.80, 44.15 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 0.75, residual support = 2.75:
          HA    VAL   41 - HB2   LEU   71   3.41 +/- 0.27  99.958% * 95.8609% (0.92   0.75   2.75) =  99.999%  kept
          HA    HIS  122 - HB2   LEU   71  14.15 +/- 0.58   0.022% *  2.6725% (0.97   0.02   0.02) =   0.001%
          HA    PHE   45 - HB2   LEU   71  14.28 +/- 0.67   0.019% *  1.0393% (0.38   0.02   0.02) =   0.000%
          HA    MET   92 - HB2   LEU   71  22.29 +/- 0.54   0.001% *  0.4273% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2866 (8.16, 1.80, 44.15 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 5.72, residual support = 127.3:
      O   HN    LEU   71 - HB2   LEU   71   2.59 +/- 0.41  99.994% * 99.3074% (0.95   5.72 127.31) = 100.000%  kept
          HN    PHE   60 - HB2   LEU   71  14.78 +/- 0.40   0.005% *  0.0497% (0.14   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB2   LEU   71  22.86 +/- 0.42   0.000% *  0.3475% (0.95   0.02   0.02) =   0.000%
          HN    GLN  116 - HB2   LEU   71  20.96 +/- 0.42   0.001% *  0.1933% (0.53   0.02   0.02) =   0.000%
          HN    THR  118 - HB2   LEU   71  18.93 +/- 0.34   0.001% *  0.1021% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.36 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 = 5.38, residual support = 127.3:
      O   HN    LEU   71 - HB3   LEU   71   2.62 +/- 0.41  99.994% * 99.2642% (0.95   5.38 127.31) = 100.000%  kept
          HN    PHE   60 - HB3   LEU   71  14.95 +/- 0.54   0.005% *  0.0528% (0.14   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   71  23.16 +/- 0.58   0.000% *  0.3691% (0.95   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   71  21.17 +/- 0.59   0.001% *  0.2053% (0.53   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   71  19.17 +/- 0.51   0.001% *  0.1085% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 127.3:
      O   HB2   LEU   71 - HG    LEU   71   2.47 +/- 0.16  99.047% * 97.0542% (0.97   4.16 127.31) =  99.999%  kept
          HB    VAL   41 - HG    LEU   71   6.91 +/- 1.21   0.452% *  0.2351% (0.49   0.02   2.75) =   0.001%
          HB3   GLN   17 - HG13  ILE   19   6.67 +/- 0.72   0.369% *  0.0337% (0.07   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG    LEU   71   9.59 +/- 0.82   0.035% *  0.2351% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG13  ILE   19   8.69 +/- 0.70   0.058% *  0.0668% (0.14   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG    LEU   71  12.51 +/- 0.60   0.007% *  0.4734% (0.98   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG    LEU   71  12.60 +/- 0.65   0.006% *  0.3318% (0.69   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG    LEU   71  15.57 +/- 1.06   0.002% *  0.4830% (1.00   0.02   0.02) =   0.000%
          QB    LYS+  65 - HG13  ILE   19  12.30 +/- 0.54   0.007% *  0.0679% (0.14   0.02   0.02) =   0.000%
          HB    VAL   41 - HG13  ILE   19  11.63 +/- 0.90   0.010% *  0.0337% (0.07   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG    LEU   71  15.36 +/- 0.49   0.002% *  0.1648% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG13  ILE   19  14.43 +/- 0.46   0.003% *  0.0476% (0.10   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG    LEU   71  21.36 +/- 1.04   0.000% *  0.4459% (0.92   0.02   0.02) =   0.000%
          HG    LEU  123 - HG    LEU   71  19.21 +/- 0.73   0.000% *  0.0745% (0.15   0.02   0.02) =   0.000%
          HG2   PRO   93 - HG13  ILE   19  20.10 +/- 0.67   0.000% *  0.0639% (0.13   0.02   0.02) =   0.000%
          QB    LYS+ 102 - HG13  ILE   19  20.41 +/- 0.83   0.000% *  0.0692% (0.14   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG13  ILE   19  19.33 +/- 0.42   0.000% *  0.0236% (0.05   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG    LEU   71  25.03 +/- 0.86   0.000% *  0.0745% (0.15   0.02   0.02) =   0.000%
          HG    LEU  123 - HG13  ILE   19  21.96 +/- 0.53   0.000% *  0.0107% (0.02   0.02   0.02) =   0.000%
          HB3   PRO   52 - HG13  ILE   19  22.90 +/- 0.42   0.000% *  0.0107% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 5.85, residual support = 127.3:
          HN    LEU   71 - QD2   LEU   71   3.83 +/- 0.38  99.783% * 99.6579% (0.87   5.85 127.31) = 100.000%  kept
          HN    THR   26 - QD2   LEU   71  11.60 +/- 1.03   0.202% *  0.0979% (0.25   0.02   0.02) =   0.000%
          HN    GLU- 114 - QD2   LEU   71  20.08 +/- 0.59   0.006% *  0.1911% (0.49   0.02   0.02) =   0.000%
          HN    GLN  116 - QD2   LEU   71  18.25 +/- 0.49   0.010% *  0.0531% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 5 structures by 0.14 A, kept.
 
    Peak 2874 (9.37, 0.96, 23.45 ppm):
    2 chemical-shift based assignments, quality = 0.726, support = 5.29, residual support = 19.3:
          HN    PHE   72 - QD2   LEU   71   2.70 +/- 0.60  99.985% * 99.5667% (0.73   5.29  19.31) = 100.000%  kept
          HN    LEU  104 - QD2   LEU   71  12.73 +/- 0.65   0.015% *  0.4333% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 28.6:
      O   HN    LEU   73 - HA    PHE   72   2.27 +/- 0.04  63.989% * 79.7940% (0.61   5.10  31.68) =  87.898%  kept
          HN    VAL   42 - HA    PHE   72   2.53 +/- 0.19  35.458% * 19.8245% (0.61   1.27   6.07) =  12.101%  kept
          HN    ILE   19 - HA    PHE   72   5.07 +/- 0.27   0.552% *  0.0685% (0.13   0.02   0.02) =   0.001%
          HN    LYS+ 106 - HA    PHE   72  13.99 +/- 0.27   0.001% *  0.3130% (0.61   0.02   0.02) =   0.000%
    Distance limit 2.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2876 (9.35, 5.27, 56.60 ppm):
    2 chemical-shift based assignments, quality = 0.705, support = 5.13, residual support = 83.9:
      O   HN    PHE   72 - HA    PHE   72   2.93 +/- 0.01  99.973% * 99.9164% (0.71   5.13  83.88) = 100.000%  kept
          HN    LEU  104 - HA    PHE   72  11.57 +/- 0.26   0.027% *  0.0836% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 31.7:
          HG    LEU   73 - HA    PHE   72   3.61 +/- 0.07  94.770% * 89.0571% (0.37   2.51  31.68) =  99.934%  kept
          HB3   LEU   67 - HA    PHE   72   7.04 +/- 0.48   1.860% *  1.2635% (0.66   0.02  34.92) =   0.028%
          HG12  ILE   19 - HA    PHE   72   7.36 +/- 0.23   1.335% *  1.4057% (0.74   0.02   0.02) =   0.022%
          HB3   LYS+  74 - HA    PHE   72   7.73 +/- 0.43   1.037% *  0.5988% (0.31   0.02   0.02) =   0.007%
          QB    ALA   61 - HA    PHE   72   9.60 +/- 0.30   0.274% *  1.4057% (0.74   0.02   0.02) =   0.005%
          QB    LEU   98 - HA    PHE   72   8.65 +/- 0.33   0.519% *  0.2883% (0.15   0.02   0.02) =   0.002%
          QG    LYS+  66 - HA    PHE   72  11.33 +/- 0.43   0.102% *  1.0006% (0.52   0.02   0.02) =   0.001%
          HG    LEU   80 - HA    PHE   72  13.79 +/- 0.91   0.034% *  1.4534% (0.76   0.02   0.02) =   0.001%
          QB    ALA  110 - HA    PHE   72  14.51 +/- 0.40   0.023% *  1.4437% (0.76   0.02   0.02) =   0.000%
          HB2   LEU   80 - HA    PHE   72  14.85 +/- 0.92   0.021% *  0.8835% (0.46   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HA    PHE   72  15.69 +/- 0.87   0.015% *  0.6530% (0.34   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HA    PHE   72  16.89 +/- 0.90   0.010% *  0.5467% (0.29   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 1 structures by 0.13 A, kept.
 
    Peak 2878 (0.78, 2.83, 40.30 ppm):
    6 chemical-shift based assignments, quality = 0.806, support = 0.0197, residual support = 31.2:
          QD2   LEU   73 - HB2   PHE   72   4.05 +/- 0.11  94.898% * 25.5964% (0.82   0.02  31.68) =  98.443%  kept
          QG1   VAL   43 - HB2   PHE   72   7.28 +/- 0.58   3.159% *  5.1678% (0.17   0.02   0.02) =   0.662%
          QG1   VAL   41 - HB2   PHE   72   8.04 +/- 0.25   1.611% *  8.9075% (0.28   0.02   0.02) =   0.581%
          HG    LEU   31 - HB2   PHE   72  11.80 +/- 1.03   0.198% * 23.4194% (0.75   0.02   0.02) =   0.188%
          QD1   ILE   56 - HB2   PHE   72  12.47 +/- 0.59   0.115% * 25.2013% (0.81   0.02   0.02) =   0.118%
          HG3   LYS+ 121 - HB2   PHE   72  16.98 +/- 0.75   0.018% * 11.7075% (0.37   0.02   0.02) =   0.009%
    Distance limit 3.69 A violated in 16 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 = 2.58, residual support = 40.2:
        T QB    ALA   64 - HB2   PHE   72   2.81 +/- 0.37  99.993% * 99.8643% (0.84   2.58  40.22) = 100.000%  kept
          QB    ALA   47 - HB2   PHE   72  14.80 +/- 0.61   0.007% *  0.1357% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 0.647, support = 4.69, residual support = 26.1:
          QD2   LEU   73 - HB3   PHE   72   4.39 +/- 0.17  19.349% * 93.1767% (0.72   5.65  31.68) =  80.522%  kept
          QG2   VAL   18 - HB3   PHE   72   3.37 +/- 0.54  78.330% *  5.5601% (0.33   0.75   3.23) =  19.452%  kept
          QG1   VAL   43 - HB3   PHE   72   6.84 +/- 0.61   1.485% *  0.2396% (0.53   0.02   0.02) =   0.016%
          QG1   VAL   41 - HB3   PHE   72   8.02 +/- 0.29   0.508% *  0.3163% (0.69   0.02   0.02) =   0.007%
          HG    LEU   31 - HB3   PHE   72  11.67 +/- 1.00   0.081% *  0.3737% (0.82   0.02   0.02) =   0.001%
          QG2   THR   46 - HB3   PHE   72   9.62 +/- 0.68   0.194% *  0.1098% (0.24   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB3   PHE   72  11.88 +/- 0.63   0.053% *  0.2237% (0.49   0.02   0.02) =   0.001%
    Distance limit 3.55 A violated in 0 structures by 0.03 A, kept.
 
    Peak 2881 (0.41, 2.28, 40.30 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 2.78, residual support = 40.2:
        T QB    ALA   64 - HB3   PHE   72   3.01 +/- 0.28  99.960% * 99.7800% (0.63   2.78  40.22) = 100.000%  kept
          QD1   LEU  115 - HB3   PHE   72  11.57 +/- 0.71   0.040% *  0.2200% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2882 (4.02, 2.83, 40.30 ppm):
    9 chemical-shift based assignments, quality = 0.473, support = 0.75, residual support = 3.22:
        T HA    VAL   18 - HB2   PHE   72   2.76 +/- 0.52  98.796% * 81.3179% (0.47   0.75   3.23) =  99.974%  kept
          HA    VAL   70 - HB2   PHE   72   7.65 +/- 0.42   0.290% *  3.7543% (0.82   0.02  40.04) =   0.014%
          HA1   GLY   16 - HB2   PHE   72   6.80 +/- 1.01   0.875% *  1.0649% (0.23   0.02   0.02) =   0.012%
          HB2   SER   37 - HB2   PHE   72  12.54 +/- 0.66   0.016% *  2.3231% (0.51   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB2   PHE   72  13.77 +/- 0.50   0.009% *  2.9271% (0.64   0.02   0.02) =   0.000%
          HA    GLN  116 - HB2   PHE   72  16.01 +/- 0.48   0.005% *  3.7543% (0.82   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB2   PHE   72  15.07 +/- 0.37   0.006% *  2.3231% (0.51   0.02   0.02) =   0.000%
          HA    SER   48 - HB2   PHE   72  17.78 +/- 0.74   0.003% *  0.6708% (0.15   0.02   0.02) =   0.000%
          HB2   SER   82 - HB2   PHE   72  21.52 +/- 0.50   0.001% *  1.8644% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2883 (4.03, 2.28, 40.30 ppm):
    8 chemical-shift based assignments, quality = 0.152, support = 1.61, residual support = 3.22:
          HA    VAL   18 - HB3   PHE   72   3.13 +/- 0.49  98.273% * 79.8718% (0.15   1.61   3.23) =  99.914%  kept
          HA1   GLY   16 - HB3   PHE   72   7.59 +/- 1.15   1.166% *  4.1042% (0.63   0.02   0.02) =   0.061%
          HA    VAL   70 - HB3   PHE   72   8.03 +/- 0.38   0.495% *  3.4281% (0.53   0.02  40.04) =   0.022%
          HB2   SER   37 - HB3   PHE   72  13.02 +/- 0.60   0.029% *  5.5400% (0.85   0.02   0.02) =   0.002%
          HA    GLN  116 - HB3   PHE   72  15.53 +/- 0.63   0.010% *  3.4281% (0.53   0.02   0.02) =   0.000%
        T HA    LYS+  33 - HB3   PHE   72  14.18 +/- 0.51   0.015% *  1.7445% (0.27   0.02   0.02) =   0.000%
        T HA    GLU-  29 - HB3   PHE   72  15.24 +/- 0.39   0.010% *  1.1185% (0.17   0.02   0.02) =   0.000%
          HB2   SER   82 - HB3   PHE   72  21.02 +/- 0.79   0.002% *  0.7649% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 2884 (6.69, 2.28, 40.30 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 4.61, residual support = 83.9:
      O T QD    PHE   72 - HB3   PHE   72   2.38 +/- 0.13  99.513% * 99.4675% (0.87   4.61  83.88) =  99.999%  kept
          HZ    PHE   72 - HB3   PHE   72   5.84 +/- 0.00   0.471% *  0.1334% (0.27   0.02  83.88) =   0.001%
        T QE    PHE   45 - HB3   PHE   72  10.30 +/- 0.74   0.016% *  0.3991% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 83.9:
      O T QD    PHE   72 - HB2   PHE   72   2.60 +/- 0.16  99.167% * 99.3387% (0.83   3.71  83.88) =  99.999%  kept
          HZ    PHE   72 - HB2   PHE   72   5.84 +/- 0.00   0.815% *  0.1657% (0.26   0.02  83.88) =   0.001%
          QE    PHE   45 - HB2   PHE   72  10.94 +/- 0.57   0.019% *  0.4956% (0.77   0.02   0.02) =   0.000%
    Distance limit 3.54 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 = 4.34, residual support = 83.9:
      O   HN    PHE   72 - HB2   PHE   72   2.66 +/- 0.56  99.988% * 99.7248% (0.79   4.34  83.88) = 100.000%  kept
          HN    LEU  104 - HB2   PHE   72  13.92 +/- 0.49   0.012% *  0.2752% (0.47   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2887 (2.03, 5.57, 52.40 ppm):
    12 chemical-shift based assignments, quality = 0.841, support = 0.0195, residual support = 4.87:
          HB2   GLN   30 - HA    LEU   73   5.82 +/- 0.25  56.019% * 10.7462% (0.80   0.02   5.22) =  54.275%  kept
          HG3   GLN   30 - HA    LEU   73   6.45 +/- 0.72  32.493% * 13.3017% (0.99   0.02   5.22) =  38.968%  kept
          HB2   GLN   17 - HA    LEU   73   8.33 +/- 0.32   6.950% *  6.5324% (0.49   0.02   0.02) =   4.093%  kept
          QB    GLU-  15 - HA    LEU   73   9.62 +/- 0.78   3.232% *  6.5324% (0.49   0.02   0.02) =   1.904%
          HB3   PRO   68 - HA    LEU   73  14.79 +/- 1.44   0.274% * 11.6413% (0.87   0.02   0.02) =   0.287%
          HB3   GLU-  25 - HA    LEU   73  13.66 +/- 0.39   0.351% *  4.1422% (0.31   0.02   0.02) =   0.131%
          HB2   PRO   93 - HA    LEU   73  13.40 +/- 0.60   0.403% *  2.9879% (0.22   0.02   0.02) =   0.109%
          HB    ILE  119 - HA    LEU   73  17.46 +/- 0.48   0.082% * 10.7462% (0.80   0.02   0.02) =   0.080%
          HB3   GLU- 100 - HA    LEU   73  18.14 +/- 0.91   0.067% * 11.6413% (0.87   0.02   0.02) =   0.070%
          HB    VAL  108 - HA    LEU   73  18.84 +/- 0.89   0.053% *  7.5980% (0.57   0.02   0.02) =   0.036%
          HB2   ARG+  54 - HA    LEU   73  19.20 +/- 0.73   0.047% *  6.5324% (0.49   0.02   0.02) =   0.028%
          HB2   LYS+ 111 - HA    LEU   73  20.91 +/- 0.58   0.027% *  7.5980% (0.57   0.02   0.02) =   0.019%
    Distance limit 3.75 A violated in 20 structures by 1.56 A, eliminated.
    Peak unassigned.
 
    Peak 2888 (8.49, 5.57, 52.40 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.83, residual support = 43.9:
      O   HN    LYS+  74 - HA    LEU   73   2.34 +/- 0.08  99.978% * 98.8175% (0.69   5.83  43.90) = 100.000%  kept
          HN    THR   46 - HA    LEU   73   9.65 +/- 0.19   0.021% *  0.1373% (0.28   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LEU   73  19.40 +/- 2.68   0.001% *  0.4764% (0.97   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HA    LEU   73  20.76 +/- 0.26   0.000% *  0.4926% (1.00   0.02   0.02) =   0.000%
          HN    MET   92 - HA    LEU   73  17.79 +/- 0.31   0.001% *  0.0762% (0.15   0.02   0.02) =   0.000%
    Distance limit 2.93 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 = 0.717, support = 6.06, residual support = 142.9:
      O   HN    LEU   73 - HA    LEU   73   2.93 +/- 0.01  34.383% * 91.9739% (0.80   6.62 164.19) =  86.628%  kept
          HN    ILE   19 - HA    LEU   73   2.61 +/- 0.33  65.334% *  7.4700% (0.18   2.46   5.03) =  13.370%  kept
          HN    VAL   42 - HA    LEU   73   6.56 +/- 0.18   0.282% *  0.2780% (0.80   0.02   2.83) =   0.002%
          HN    LYS+ 106 - HA    LEU   73  17.00 +/- 0.21   0.001% *  0.2780% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 6.34, residual support = 164.2:
      O   HN    LEU   73 - HB2   LEU   73   3.03 +/- 0.20  98.557% * 98.8589% (0.38   6.34 164.19) =  99.995%  kept
          HN    VAL   42 - HB2   LEU   73   6.16 +/- 0.35   1.438% *  0.3119% (0.38   0.02   2.83) =   0.005%
          HN    LYS+ 106 - HB2   LEU   73  15.60 +/- 0.45   0.005% *  0.8292% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 2.0, residual support = 8.15:
          HA    VAL   43 - HB2   LEU   73   3.49 +/- 0.37  99.734% * 97.5866% (0.80   2.00   8.15) =  99.997%  kept
        T HA    HIS   22 - HB2   LEU   73   9.99 +/- 0.38   0.242% *  1.2188% (1.00   0.02   0.02) =   0.003%
          HA    ASN   69 - HB2   LEU   73  14.29 +/- 0.27   0.024% *  1.1946% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2892 (8.50, 1.38, 46.21 ppm):
    4 chemical-shift based assignments, quality = 0.249, support = 5.59, residual support = 43.9:
          HN    LYS+  74 - HB3   LEU   73   3.01 +/- 0.13  99.984% * 97.5630% (0.25   5.59  43.90) = 100.000%  kept
          HN    ASP-  78 - HB3   LEU   73  13.49 +/- 0.34   0.013% *  0.5753% (0.41   0.02   0.02) =   0.000%
          HN    MET   11 - HB3   LEU   73  19.65 +/- 3.21   0.003% *  0.7923% (0.57   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB3   LEU   73  21.89 +/- 0.27   0.001% *  1.0694% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 0.794, support = 5.58, residual support = 162.8:
          HN    LEU   73 - HG    LEU   73   2.86 +/- 0.17  74.995% * 91.4472% (0.80   5.62 164.19) =  99.162%  kept
          HN    VAL   42 - HG    LEU   40   4.84 +/- 1.29   7.753% *  7.1984% (0.15   2.37   1.46) =   0.807%
          HN    VAL   42 - HG    LEU   73   4.48 +/- 0.31   5.337% *  0.3252% (0.80   0.02   2.83) =   0.025%
          HN    ILE   19 - HG12  ILE   19   4.09 +/- 0.12   9.252% *  0.0232% (0.06   0.02 164.67) =   0.003%
          HN    ILE   19 - HG    LEU   73   5.47 +/- 0.39   2.033% *  0.0711% (0.18   0.02   5.03) =   0.002%
          HN    LEU   73 - HG12  ILE   19   7.10 +/- 0.17   0.339% *  0.1062% (0.26   0.02   5.03) =   0.001%
          HN    LEU   73 - HG    LEU   40   8.83 +/- 1.26   0.117% *  0.0606% (0.15   0.02   0.02) =   0.000%
          HN    VAL   42 - HG12  ILE   19   9.32 +/- 0.33   0.066% *  0.1062% (0.26   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   40  11.11 +/- 0.46   0.023% *  0.0606% (0.15   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  15.51 +/- 0.55   0.003% *  0.3252% (0.80   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  11.64 +/- 0.95   0.019% *  0.0396% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  12.10 +/- 1.29   0.016% *  0.0133% (0.03   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU  115  11.13 +/- 0.30   0.022% *  0.0090% (0.02   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  14.76 +/- 0.93   0.004% *  0.0396% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  12.65 +/- 0.88   0.011% *  0.0087% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  21.14 +/- 0.30   0.000% *  0.1062% (0.26   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU  115  15.54 +/- 1.09   0.003% *  0.0090% (0.02   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU  115  15.65 +/- 1.16   0.003% *  0.0090% (0.02   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  20.55 +/- 0.83   0.001% *  0.0396% (0.10   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU  115  17.67 +/- 1.10   0.002% *  0.0020% (0.00   0.02   0.02) =   0.000%
    Distance limit 3.46 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 = 0.223, support = 0.0195, residual support = 0.0195:
          HN    LEU   71 - HG    LEU   73   6.59 +/- 0.18  18.901% * 15.0226% (0.28   0.02   0.02) =  47.043%  kept
          HN    LEU   71 - HG    LEU   40   5.33 +/- 0.92  63.985% *  2.8008% (0.05   0.02   0.02) =  29.690%  kept
          HN    THR   26 - HG    LEU   80   7.10 +/- 0.58  12.045% *  5.4916% (0.10   0.02   0.02) =  10.959%  kept
          HN    THR   26 - HG    LEU   73  11.10 +/- 0.34   0.911% * 45.1304% (0.84   0.02   0.02) =   6.814%  kept
          HN    THR   26 - HG12  ILE   19  10.40 +/- 0.38   1.325% * 14.7389% (0.27   0.02   0.02) =   3.235%  kept
          HN    LEU   71 - HG12  ILE   19   9.11 +/- 0.40   2.712% *  4.9061% (0.09   0.02   0.02) =   2.204%
          HN    THR   26 - HG    LEU   40  19.60 +/- 0.97   0.024% *  8.4139% (0.16   0.02   0.02) =   0.034%
          HN    LEU   71 - HG    LEU   80  17.67 +/- 0.92   0.053% *  1.8280% (0.03   0.02   0.02) =   0.016%
          HN    LEU   71 - HG    LEU  115  18.52 +/- 1.08   0.039% *  0.4165% (0.01   0.02   0.02) =   0.003%
          HN    THR   26 - HG    LEU  115  27.08 +/- 1.13   0.004% *  1.2512% (0.02   0.02   0.02) =   0.001%
    Distance limit 3.97 A violated in 18 structures by 0.92 A, eliminated.
    Peak unassigned.
 
    Peak 2895 (8.97, 0.78, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.375, support = 7.86, residual support = 164.1:
          HN    LEU   73 - QD2   LEU   73   2.69 +/- 0.59  91.092% * 98.6820% (0.38   7.86 164.19) =  99.975%  kept
          HN    VAL   42 - QD2   LEU   73   4.02 +/- 0.70   8.352% *  0.2512% (0.38   0.02   2.83) =   0.023%
          HN    LYS+ 106 - HG3   LYS+ 121   7.14 +/- 0.83   0.541% *  0.2277% (0.34   0.02   0.02) =   0.001%
          HN    LYS+ 106 - QD2   LEU   73  13.68 +/- 1.20   0.006% *  0.6678% (1.00   0.02   0.02) =   0.000%
          HN    VAL   42 - HG3   LYS+ 121  14.08 +/- 0.44   0.007% *  0.0857% (0.13   0.02   0.02) =   0.000%
          HN    LEU   73 - HG3   LYS+ 121  16.96 +/- 0.51   0.002% *  0.0857% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2897 (8.50, 0.78, 24.39 ppm):
    8 chemical-shift based assignments, quality = 0.249, support = 5.98, residual support = 43.9:
          HN    LYS+  74 - QD2   LEU   73   4.04 +/- 0.19  99.807% * 96.8543% (0.25   5.98  43.90) =  99.999%  kept
          HN    ASP-  78 - QD2   LEU   73  13.26 +/- 0.58   0.093% *  0.5343% (0.41   0.02   0.02) =   0.001%
          HN    MET   11 - QD2   LEU   73  15.76 +/- 2.45   0.048% *  0.7358% (0.57   0.02   0.02) =   0.000%
          HN    LYS+ 112 - QD2   LEU   73  18.27 +/- 0.98   0.014% *  0.9932% (0.76   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HG3   LYS+ 121  15.72 +/- 0.49   0.031% *  0.3387% (0.26   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   LYS+ 121  20.99 +/- 0.56   0.005% *  0.1105% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 121  26.38 +/- 0.70   0.001% *  0.1822% (0.14   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 121  34.43 +/- 2.28   0.000% *  0.2509% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 5 structures by 0.13 A, kept.
 
    Peak 2898 (8.50, 1.48, 36.69 ppm):
    4 chemical-shift based assignments, quality = 0.2, support = 5.72, residual support = 170.1:
      O   HN    LYS+  74 - HB2   LYS+  74   3.17 +/- 0.12  99.912% * 97.6157% (0.20   5.72 170.13) =  99.999%  kept
          HN    ASP-  78 - HB2   LYS+  74  10.74 +/- 0.82   0.084% *  0.5629% (0.33   0.02   0.02) =   0.000%
          HN    LYS+ 112 - HB2   LYS+  74  18.30 +/- 0.48   0.003% *  1.0463% (0.61   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   LYS+  74  22.10 +/- 2.70   0.001% *  0.7751% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 0.407, support = 0.0198, residual support = 26.8:
          HN    VAL   75 - HB3   LYS+  74   4.44 +/- 0.09  99.543% * 23.3279% (0.41   0.02  27.04) =  99.085%  kept
          HN    ASP-  78 - HB3   LYS+  74  11.03 +/- 0.41   0.427% * 49.2209% (0.87   0.02   0.02) =   0.896%
          HN    LYS+ 112 - HB3   LYS+  74  19.18 +/- 0.51   0.016% * 17.5137% (0.31   0.02   0.02) =   0.012%
          HN    MET   11 - HB3   LYS+  74  21.25 +/- 2.74   0.015% *  9.9375% (0.18   0.02   0.02) =   0.006%
    Distance limit 3.70 A violated in 20 structures by 0.74 A, eliminated.
    Peak unassigned.
 
    Peak 2900 (8.52, 1.24, 25.23 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 5.64, residual support = 27.0:
          HN    VAL   75 - HG2   LYS+  74   3.35 +/- 0.50  99.772% * 99.5040% (0.84   5.64  27.04) =  99.999%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.52 +/- 1.27   0.215% *  0.4141% (0.98   0.02   0.02) =   0.001%
          HN    VAL   75 - HG3   LYS+ 111  17.28 +/- 0.37   0.007% *  0.0377% (0.09   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  18.06 +/- 0.57   0.005% *  0.0443% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.02 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   3.73 +/- 0.50  99.962% * 95.5857% (0.84   0.34   0.34) =  99.998%  kept
          QD1   LEU  115 - HA    THR   77  14.88 +/- 0.42   0.038% *  4.4143% (0.65   0.02   0.02) =   0.002%
    Distance limit 3.51 A violated in 2 structures by 0.24 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 = 3.94, residual support = 37.7:
      O   HN    ASP-  78 - HB3   ASP-  78   2.30 +/- 0.34  99.982% * 99.5216% (0.95   3.94  37.67) = 100.000%  kept
          HN    VAL   75 - HB3   ASP-  78  10.14 +/- 0.33   0.018% *  0.4784% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 4.94, residual support = 37.7:
      O   HN    ASP-  78 - HB2   ASP-  78   2.77 +/- 0.22  99.955% * 99.6177% (0.95   4.94  37.67) = 100.000%  kept
          HN    VAL   75 - HB2   ASP-  78  10.10 +/- 0.19   0.045% *  0.3823% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 4.23, residual support = 54.4:
      O T HB3   GLU-  79 - HA    GLU-  79   2.79 +/- 0.17  99.935% * 98.5870% (1.00   4.23  54.40) = 100.000%  kept
        T HB2   GLN   90 - HA    GLU-  79  10.83 +/- 2.12   0.058% *  0.2827% (0.61   0.02   0.02) =   0.000%
          HB3   GLU-  29 - HA    GLU-  79  16.22 +/- 0.93   0.003% *  0.3732% (0.80   0.02   0.02) =   0.000%
          HG3   GLU-  29 - HA    GLU-  79  15.52 +/- 0.43   0.004% *  0.1916% (0.41   0.02   0.02) =   0.000%
          QB    GLU-  36 - HA    GLU-  79  22.87 +/- 0.45   0.000% *  0.4619% (0.99   0.02   0.02) =   0.000%
          HG3   GLU- 100 - HA    GLU-  79  27.58 +/- 0.74   0.000% *  0.1038% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.08 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 = 3.54, residual support = 54.4:
      O   QG    GLU-  79 - HB3   GLU-  79   2.32 +/- 0.11  99.987% * 97.7491% (0.98   3.54  54.40) = 100.000%  kept
          QG    GLU-  79 - HB2   GLN   90  11.50 +/- 1.87   0.010% *  0.2049% (0.36   0.02   0.02) =   0.000%
          QG    GLN   32 - HB3   GLU-  79  16.51 +/- 1.39   0.001% *  0.4300% (0.76   0.02   0.02) =   0.000%
          HB    VAL  107 - HB2   GLN   90  15.45 +/- 0.84   0.001% *  0.0465% (0.08   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB3   GLU-  79  20.93 +/- 0.64   0.000% *  0.2313% (0.41   0.02   0.02) =   0.000%
          HB    VAL  107 - HB3   GLU-  79  19.00 +/- 0.69   0.000% *  0.1253% (0.22   0.02   0.02) =   0.000%
          HB3   PHE   97 - HB2   GLN   90  19.63 +/- 0.54   0.000% *  0.0860% (0.15   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   GLN   90  22.25 +/- 1.59   0.000% *  0.1598% (0.28   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB3   GLU-  79  26.00 +/- 0.79   0.000% *  0.3865% (0.69   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB3   GLU-  79  27.00 +/- 0.62   0.000% *  0.3186% (0.57   0.02   0.02) =   0.000%
          HB2   GLN  116 - HB2   GLN   90  23.32 +/- 1.11   0.000% *  0.1184% (0.21   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   GLN   90  26.25 +/- 0.75   0.000% *  0.1436% (0.26   0.02   0.02) =   0.000%
    Distance limit 2.57 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 = 0.97, support = 2.4, residual support = 5.7:
          HB2   ASP-  76 - HB3   GLU-  79   3.37 +/- 0.76  90.892% * 40.6883% (1.00   2.17   4.39) =  88.005%  kept
          HB2   ASP-  78 - HB3   GLU-  79   5.31 +/- 0.51   8.653% * 58.2487% (0.76   4.06  15.32) =  11.993%  kept
          HB2   ASP-  78 - HB2   GLN   90  10.54 +/- 2.03   0.251% *  0.1066% (0.28   0.02   0.02) =   0.001%
          HB2   ASP-  76 - HB2   GLN   90  11.83 +/- 1.91   0.109% *  0.1392% (0.37   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HB3   GLU-  79  12.29 +/- 0.89   0.077% *  0.0657% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB3   GLU-  79  17.07 +/- 1.44   0.010% *  0.0936% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB3   GLU-  79  26.41 +/- 0.74   0.001% *  0.3623% (0.97   0.02   0.02) =   0.000%
        T HB2   ASN   28 - HB2   GLN   90  19.47 +/- 1.43   0.004% *  0.0244% (0.07   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB3   GLU-  79  24.98 +/- 0.72   0.001% *  0.0743% (0.20   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLN   90  23.49 +/- 1.50   0.001% *  0.0348% (0.09   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLN   90  30.15 +/- 0.81   0.000% *  0.1346% (0.36   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLN   90  26.20 +/- 0.44   0.001% *  0.0276% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 4.23, residual support = 54.4:
      O T HA    GLU-  79 - HB3   GLU-  79   2.79 +/- 0.17  86.121% * 96.2673% (0.80   4.23  54.40) =  99.989%  kept
          HB    THR   77 - HB2   GLN   90   5.27 +/- 1.94   8.727% *  0.0652% (0.11   0.02   0.02) =   0.007%
          HA    SER   85 - HB2   GLN   90   5.18 +/- 1.07   4.877% *  0.0652% (0.11   0.02   0.02) =   0.004%
          HB    THR   77 - HB3   GLU-  79   7.95 +/- 0.37   0.180% *  0.1754% (0.31   0.02   0.02) =   0.000%
        T HA    GLU-  79 - HB2   GLN   90  10.83 +/- 2.12   0.044% *  0.1691% (0.30   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  11.66 +/- 0.61   0.019% *  0.1754% (0.31   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  12.53 +/- 0.51   0.012% *  0.1417% (0.25   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  16.35 +/- 0.63   0.002% *  0.5570% (0.98   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  16.79 +/- 0.90   0.002% *  0.5376% (0.95   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  15.55 +/- 1.07   0.003% *  0.1997% (0.35   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  13.12 +/- 0.58   0.009% *  0.0527% (0.09   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  18.00 +/- 0.75   0.001% *  0.2070% (0.36   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  20.93 +/- 0.70   0.001% *  0.2336% (0.41   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  24.04 +/- 0.65   0.000% *  0.4930% (0.87   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  18.78 +/- 0.71   0.001% *  0.0868% (0.15   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  26.13 +/- 4.51   0.000% *  0.1265% (0.22   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  26.98 +/- 0.40   0.000% *  0.1832% (0.32   0.02   0.02) =   0.000%
          HA    SER  117 - HB3   GLU-  79  28.36 +/- 0.57   0.000% *  0.1580% (0.28   0.02   0.02) =   0.000%
          HA    SER  117 - HB2   GLN   90  24.64 +/- 1.13   0.000% *  0.0587% (0.10   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  35.48 +/- 3.52   0.000% *  0.0470% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2908 (4.47, 2.14, 31.53 ppm):
    12 chemical-shift based assignments, quality = 0.27, support = 3.96, residual support = 89.6:
      O T HA    GLN   90 - HB2   GLN   90   2.45 +/- 0.19  97.808% * 92.1891% (0.27   3.96  89.58) =  99.992%  kept
          HA    ALA   91 - HB2   GLN   90   5.06 +/- 0.53   2.113% *  0.3119% (0.18   0.02  32.73) =   0.007%
        T HA    GLN   90 - HB3   GLU-  79  10.00 +/- 1.76   0.034% *  1.2522% (0.73   0.02   0.02) =   0.000%
          HA    TRP   27 - HB3   GLU-  79   9.62 +/- 0.64   0.032% *  0.4795% (0.28   0.02   0.02) =   0.000%
          HA    ALA   91 - HB3   GLU-  79  12.84 +/- 1.38   0.006% *  0.8394% (0.49   0.02   0.02) =   0.000%
          HA    ALA  110 - HB2   GLN   90  14.54 +/- 0.78   0.003% *  0.5352% (0.31   0.02   0.02) =   0.000%
          HA    ALA  110 - HB3   GLU-  79  18.34 +/- 0.79   0.001% *  1.4404% (0.84   0.02   0.02) =   0.000%
          HA    VAL  107 - HB2   GLN   90  15.17 +/- 1.24   0.002% *  0.4145% (0.24   0.02   0.02) =   0.000%
          HA    VAL  107 - HB3   GLU-  79  20.50 +/- 0.46   0.000% *  1.1155% (0.65   0.02   0.02) =   0.000%
          HA    PHE   55 - HB3   GLU-  79  21.35 +/- 0.70   0.000% *  0.9073% (0.53   0.02   0.02) =   0.000%
          HA    TRP   27 - HB2   GLN   90  17.32 +/- 1.32   0.001% *  0.1781% (0.10   0.02   0.02) =   0.000%
          HA    PHE   55 - HB2   GLN   90  20.32 +/- 0.85   0.000% *  0.3371% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.963, support = 2.27, residual support = 5.99:
          HB2   ASP-  76 - HB2   GLU-  79   2.76 +/- 0.52  89.569% * 40.0503% (1.00   2.00   4.39) =  85.309%  kept
          HB2   ASP-  78 - HB2   GLU-  79   4.52 +/- 0.88  10.415% * 59.3114% (0.76   3.86  15.32) =  14.691%  kept
          HB2   ASN   28 - HB2   GLU-  79  13.08 +/- 0.63   0.013% *  0.0704% (0.18   0.02   0.02) =   0.000%
          QE    LYS+  33 - HB2   GLU-  79  17.57 +/- 1.36   0.002% *  0.1003% (0.25   0.02   0.02) =   0.000%
          HB2   ASN   69 - HB2   GLU-  79  26.59 +/- 0.90   0.000% *  0.3881% (0.97   0.02   0.02) =   0.000%
          QE    LYS+  66 - HB2   GLU-  79  24.77 +/- 0.82   0.000% *  0.0796% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 5.24, residual support = 47.5:
          HN    LEU   80 - HB2   GLU-  79   2.91 +/- 0.75  99.866% * 98.4778% (0.61   5.24  47.47) = 100.000%  kept
          HN    SER   85 - HB2   GLU-  79   9.63 +/- 0.69   0.113% *  0.3017% (0.49   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLU-  79  14.29 +/- 0.56   0.014% *  0.2326% (0.38   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLU-  79  16.70 +/- 0.67   0.005% *  0.5377% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLU-  79  18.54 +/- 0.70   0.003% *  0.4501% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.40 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2911 (8.07, 2.14, 31.53 ppm):
    10 chemical-shift based assignments, quality = 0.607, support = 5.38, residual support = 47.5:
          HN    LEU   80 - HB3   GLU-  79   2.25 +/- 0.60  98.642% * 97.8461% (0.61   5.38  47.47) =  99.998%  kept
          HN    SER   85 - HB2   GLN   90   6.32 +/- 1.36   1.292% *  0.1084% (0.18   0.02   0.02) =   0.001%
          HN    SER   85 - HB3   GLU-  79   9.35 +/- 0.62   0.034% *  0.2918% (0.49   0.02   0.02) =   0.000%
          HN    LEU   80 - HB2   GLN   90  11.11 +/- 1.97   0.022% *  0.1351% (0.23   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   GLU-  79  15.00 +/- 0.78   0.004% *  0.2250% (0.38   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  16.03 +/- 0.79   0.001% *  0.5199% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HB3   GLU-  79  18.01 +/- 0.65   0.001% *  0.4352% (0.73   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   GLN   90  14.21 +/- 0.90   0.004% *  0.0836% (0.14   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  22.22 +/- 1.00   0.000% *  0.1932% (0.32   0.02   0.02) =   0.000%
          HN    ALA   34 - HB2   GLN   90  23.56 +/- 0.87   0.000% *  0.1617% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 5.58, residual support = 89.6:
      O   HN    GLN   90 - HB2   GLN   90   3.96 +/- 0.22  98.793% * 95.2331% (0.23   5.58  89.58) =  99.994%  kept
          HN    GLN   90 - HB3   GLU-  79  11.16 +/- 1.64   0.306% *  0.9189% (0.61   0.02   0.02) =   0.003%
          HN    GLY  109 - HB2   GLN   90  10.43 +/- 1.00   0.331% *  0.5048% (0.33   0.02   0.02) =   0.002%
          HE1   HIS   22 - HB3   GLU-  79   9.80 +/- 0.82   0.532% *  0.2338% (0.15   0.02   0.02) =   0.001%
          HN    GLY  109 - HB3   GLU-  79  16.67 +/- 0.53   0.019% *  1.3587% (0.90   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLU-  79  22.30 +/- 0.71   0.003% *  1.2131% (0.80   0.02   0.02) =   0.000%
          HN    ILE  103 - HB2   GLN   90  19.51 +/- 0.80   0.007% *  0.4507% (0.30   0.02   0.02) =   0.000%
          HE1   HIS   22 - HB2   GLN   90  20.30 +/- 2.20   0.008% *  0.0869% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.08 A, kept.
 
    Peak 2913 (8.07, 2.38, 37.37 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 4.99, residual support = 47.5:
          HN    LEU   80 - QG    GLU-  79   2.65 +/- 0.63  99.885% * 98.4024% (0.61   4.99  47.47) = 100.000%  kept
          HN    SER   85 - QG    GLU-  79   9.34 +/- 0.42   0.093% *  0.3167% (0.49   0.02   0.02) =   0.000%
          HN    CYS   53 - QG    GLU-  79  14.44 +/- 0.83   0.014% *  0.2442% (0.38   0.02   0.02) =   0.000%
          HN    GLN   32 - QG    GLU-  79  14.68 +/- 0.91   0.005% *  0.5643% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - QG    GLU-  79  16.65 +/- 0.84   0.003% *  0.4724% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.02 A, kept.
 
    Peak 2914 (8.06, 4.27, 58.55 ppm):
    4 chemical-shift based assignments, quality = 0.278, support = 5.34, residual support = 47.5:
      O   HN    LEU   80 - HA    GLU-  79   3.14 +/- 0.28  99.816% * 97.1117% (0.28   5.34  47.47) =  99.998%  kept
          HN    SER   85 - HA    GLU-  79   9.05 +/- 0.46   0.180% *  1.0924% (0.84   0.02   0.02) =   0.002%
          HN    GLN   32 - HA    GLU-  79  18.14 +/- 0.49   0.003% *  1.3050% (1.00   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    GLU-  79  20.37 +/- 0.42   0.001% *  0.4909% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 1 structures by 0.07 A, kept.
 
    Peak 2915 (1.40, 0.59, 24.39 ppm):
    15 chemical-shift based assignments, quality = 0.644, support = 4.31, residual support = 79.5:
      O   HB2   LEU   80 - QD2   LEU   80   2.53 +/- 0.39  29.772% * 74.3954% (0.87   4.72  79.55) =  57.542%  kept
      O   HG    LEU   80 - QD2   LEU   80   2.10 +/- 0.01  70.139% * 23.3012% (0.34   3.76  79.55) =  42.458%  kept
          HB3   LYS+  74 - QD2   LEU   80   8.17 +/- 0.50   0.021% *  0.3563% (0.98   0.02   0.02) =   0.000%
        T HB3   LEU   73 - QD2   LEU   80   7.07 +/- 0.68   0.054% *  0.0907% (0.25   0.02   0.02) =   0.000%
          QB    LEU   98 - QD2   LEU   80  11.64 +/- 0.77   0.002% *  0.3508% (0.97   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD2   LEU   80  10.33 +/- 0.45   0.005% *  0.1630% (0.45   0.02   0.02) =   0.000%
          QB    ALA   12 - QD2   LEU   80  15.75 +/- 2.49   0.001% *  0.2778% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD2   LEU   80  12.97 +/- 1.16   0.001% *  0.1364% (0.38   0.02   0.02) =   0.000%
          HB    VAL   42 - QD2   LEU   80  12.77 +/- 0.89   0.001% *  0.1122% (0.31   0.02   0.02) =   0.000%
          QB    ALA  110 - QD2   LEU   80  13.88 +/- 0.52   0.001% *  0.1364% (0.38   0.02   0.02) =   0.000%
          QB    ALA   61 - QD2   LEU   80  13.66 +/- 0.55   0.001% *  0.0719% (0.20   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD2   LEU   80  21.57 +/- 0.93   0.000% *  0.3508% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD2   LEU   80  18.13 +/- 0.85   0.000% *  0.1122% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD2   LEU   80  18.29 +/- 1.09   0.000% *  0.0809% (0.22   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QD2   LEU   80  21.69 +/- 0.60   0.000% *  0.0637% (0.18   0.02   0.02) =   0.000%
    Distance limit 2.83 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 = 0.957, support = 5.07, residual support = 30.0:
          HA    THR   23 - QD2   LEU   80   2.51 +/- 0.43  71.456% * 47.4542% (0.99   4.74  10.99) =  72.267%  kept
          HA    LEU   80 - QD2   LEU   80   3.28 +/- 0.82  24.944% * 52.1467% (0.87   5.95  79.55) =  27.721%  kept
          HB    THR   23 - QD2   LEU   80   4.29 +/- 0.24   3.524% *  0.1467% (0.73   0.02  10.99) =   0.011%
          HA    ASP-  78 - QD2   LEU   80   8.11 +/- 0.59   0.075% *  0.1618% (0.80   0.02   0.71) =   0.000%
          HA    ASP- 105 - QD2   LEU   80  18.02 +/- 0.79   0.001% *  0.0906% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.75 A violated in 0 structures by 0.04 A, kept.
 
    Peak 2917 (7.32, 0.59, 24.39 ppm):
    6 chemical-shift based assignments, quality = 0.49, support = 3.0, residual support = 12.7:
          HN    THR   23 - QD2   LEU   80   3.19 +/- 0.23  83.255% * 23.4522% (0.41   2.94  10.99) =  75.100%  kept
          HE3   TRP   27 - QD2   LEU   80   4.95 +/- 0.71   9.922% * 41.9983% (0.92   2.35  10.41) =  16.028%  kept
          HN    LYS+  81 - QD2   LEU   80   5.13 +/- 0.68   6.787% * 33.9868% (0.38   4.67  30.93) =   8.872%  kept
          QE    PHE   95 - QD2   LEU   80  12.12 +/- 0.58   0.031% *  0.1739% (0.45   0.02   0.02) =   0.000%
          QD    PHE   55 - QD2   LEU   80  18.01 +/- 0.59   0.003% *  0.3364% (0.87   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   80  18.05 +/- 0.70   0.003% *  0.0525% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2918 (9.19, 0.59, 24.39 ppm):
    2 chemical-shift based assignments, quality = 0.309, support = 3.13, residual support = 10.6:
          HN    VAL   24 - QD2   LEU   80   2.74 +/- 0.36  99.952% * 99.5405% (0.31   3.13  10.62) = 100.000%  kept
          HN    VAL   43 - QD2   LEU   80  10.61 +/- 0.74   0.048% *  0.4595% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.25, support = 4.07, residual support = 24.8:
          HN    LYS+  81 - QD1   LEU   80   4.14 +/- 0.55  39.515% * 72.7007% (0.24   5.17  30.93) =  69.456%  kept
          HN    THR   23 - QD1   LEU   80   3.93 +/- 0.64  52.066% * 24.1622% (0.27   1.57  10.99) =  30.416%  kept
          HE3   TRP   27 - QD1   LEU   80   6.26 +/- 1.10   6.905% *  0.6918% (0.60   0.02  10.41) =   0.116%
          HE3   TRP   27 - QD2   LEU   98   7.31 +/- 0.69   1.108% *  0.3966% (0.34   0.02   0.02) =   0.011%
          QE    PHE   95 - QD2   LEU   98   9.36 +/- 0.66   0.238% *  0.1926% (0.17   0.02   0.02) =   0.001%
          QE    PHE   95 - QD1   LEU   80  12.50 +/- 1.27   0.048% *  0.3360% (0.29   0.02   0.02) =   0.000%
          HN    THR   23 - QD2   LEU   98  12.87 +/- 0.63   0.034% *  0.1766% (0.15   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD2   LEU   98  14.09 +/- 0.59   0.020% *  0.1612% (0.14   0.02   0.02) =   0.000%
          QD    PHE   55 - QD2   LEU   98  16.33 +/- 0.70   0.008% *  0.3726% (0.32   0.02   0.02) =   0.000%
          QD    PHE   55 - QD1   LEU   80  18.02 +/- 1.05   0.005% *  0.6501% (0.56   0.02   0.02) =   0.000%
          HN    LEU   67 - QD2   LEU   98  12.14 +/- 0.59   0.050% *  0.0581% (0.05   0.02   0.02) =   0.000%
          HN    LEU   67 - QD1   LEU   80  18.94 +/- 1.23   0.003% *  0.1014% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 1 structures by 0.08 A, kept.
 
    Peak 2920 (7.30, 1.56, 25.02 ppm):
    15 chemical-shift based assignments, quality = 0.867, support = 4.92, residual support = 101.2:
          HN    LYS+  81 - QG    LYS+  81   2.10 +/- 0.25  99.975% * 98.5537% (0.87   4.92 101.25) = 100.000%  kept
          HE3   TRP   27 - HG2   LYS+  33   9.83 +/- 0.44   0.012% *  0.0992% (0.21   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  11.41 +/- 0.47   0.005% *  0.2072% (0.45   0.02   0.02) =   0.000%
          QD    PHE   60 - QG    LYS+  81  14.29 +/- 0.22   0.001% *  0.2432% (0.53   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+  33  13.83 +/- 0.84   0.002% *  0.1164% (0.25   0.02   0.02) =   0.000%
          QD    PHE   60 - HG2   LYS+ 106  12.91 +/- 0.92   0.003% *  0.0535% (0.12   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  18.51 +/- 0.67   0.000% *  0.1735% (0.38   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  16.01 +/- 1.46   0.001% *  0.0456% (0.10   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  20.63 +/- 0.61   0.000% *  0.1920% (0.42   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  16.90 +/- 0.50   0.000% *  0.0382% (0.08   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  20.20 +/- 1.19   0.000% *  0.0882% (0.19   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+  33  17.16 +/- 1.29   0.000% *  0.0300% (0.06   0.02   0.02) =   0.000%
          HN    LYS+  66 - QG    LYS+  81  23.81 +/- 0.24   0.000% *  0.0626% (0.14   0.02   0.02) =   0.000%
          HN    LYS+  66 - HG2   LYS+ 106  18.61 +/- 0.83   0.000% *  0.0138% (0.03   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  25.68 +/- 0.88   0.000% *  0.0831% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2921 (8.00, 1.56, 25.02 ppm):
    9 chemical-shift based assignments, quality = 0.647, support = 0.744, residual support = 1.49:
          HN    GLU-  79 - QG    LYS+  81   3.68 +/- 0.17  99.563% * 93.8614% (0.65   0.74   1.49) =  99.997%  kept
          HN    VAL   70 - HG2   LYS+  33  11.38 +/- 1.57   0.157% *  0.7676% (0.20   0.02   0.02) =   0.001%
          HN    THR   94 - QG    LYS+  81  11.53 +/- 0.45   0.112% *  0.9724% (0.25   0.02   0.02) =   0.001%
          HN    THR   94 - HG2   LYS+ 106  11.25 +/- 0.97   0.146% *  0.2140% (0.05   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+  33  20.17 +/- 0.40   0.004% *  1.2079% (0.31   0.02   0.02) =   0.000%
          HN    VAL   70 - HG2   LYS+ 106  17.66 +/- 0.87   0.009% *  0.3528% (0.09   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+ 106  19.97 +/- 1.20   0.004% *  0.5551% (0.14   0.02   0.02) =   0.000%
          HN    VAL   70 - QG    LYS+  81  23.78 +/- 0.29   0.001% *  1.6033% (0.41   0.02   0.02) =   0.000%
          HN    THR   94 - HG2   LYS+  33  20.09 +/- 0.76   0.004% *  0.4656% (0.12   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2922 (7.32, 1.87, 32.96 ppm):
    12 chemical-shift based assignments, quality = 0.375, support = 5.2, residual support = 101.2:
      O   HN    LYS+  81 - QB    LYS+  81   2.54 +/- 0.14  99.455% * 96.8757% (0.38   5.20 101.25) =  99.999%  kept
          QD    PHE   55 - HB3   PRO   52   6.55 +/- 0.64   0.463% *  0.0988% (0.10   0.02   0.02) =   0.000%
          HE3   TRP   27 - QB    LYS+  81  12.20 +/- 0.52   0.009% *  0.9162% (0.92   0.02   0.02) =   0.000%
          HN    THR   23 - QB    LYS+  81  10.88 +/- 0.32   0.017% *  0.4080% (0.41   0.02   0.02) =   0.000%
          QE    PHE   95 - HB3   PRO   52   9.14 +/- 0.60   0.052% *  0.0510% (0.05   0.02   0.02) =   0.000%
          QE    PHE   95 - QB    LYS+  81  15.13 +/- 0.42   0.002% *  0.4450% (0.45   0.02   0.02) =   0.000%
          QD    PHE   55 - QB    LYS+  81  19.42 +/- 0.71   0.001% *  0.8609% (0.87   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   PRO   52  20.08 +/- 0.38   0.000% *  0.1051% (0.11   0.02   0.02) =   0.000%
          HN    LYS+  81 - HB3   PRO   52  18.73 +/- 0.65   0.001% *  0.0427% (0.04   0.02   0.02) =   0.000%
          HN    LEU   67 - QB    LYS+  81  24.73 +/- 0.27   0.000% *  0.1343% (0.14   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   PRO   52  21.58 +/- 0.47   0.000% *  0.0468% (0.05   0.02   0.02) =   0.000%
          HN    LEU   67 - HB3   PRO   52  21.73 +/- 0.50   0.000% *  0.0154% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.95 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 = 5.29, residual support = 101.2:
      O   HN    LYS+  81 - HA    LYS+  81   2.78 +/- 0.04  99.974% * 99.3564% (0.87   5.29 101.25) = 100.000%  kept
          HE3   TRP   27 - HA    LYS+  81  11.47 +/- 0.61   0.022% *  0.1943% (0.45   0.02   0.02) =   0.000%
          QD    PHE   60 - HA    LYS+  81  15.17 +/- 0.31   0.004% *  0.2280% (0.53   0.02   0.02) =   0.000%
          QD    PHE   55 - HA    LYS+  81  20.23 +/- 0.65   0.001% *  0.1627% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  66 - HA    LYS+  81  25.50 +/- 0.36   0.000% *  0.0587% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 0.771, support = 2.36, residual support = 11.1:
          HA    ASP-  78 - QG    LYS+  81   3.43 +/- 0.48  76.882% * 34.3958% (0.98   1.02   0.66) =  65.462%  kept
          HA    LEU   80 - QG    LYS+  81   4.28 +/- 0.32  21.936% * 63.5824% (0.38   4.91  30.93) =  34.527%  kept
          HA    THR   23 - QG    LYS+  81   7.80 +/- 0.35   0.692% *  0.5271% (0.76   0.02   0.02) =   0.009%
          HB    THR   23 - QG    LYS+  81   9.81 +/- 0.38   0.168% *  0.1720% (0.25   0.02   0.02) =   0.001%
          HA    PHE   45 - QG    LYS+  81   9.07 +/- 0.20   0.259% *  0.1064% (0.15   0.02   0.02) =   0.001%
          HA    THR   23 - HG2   LYS+  33  15.74 +/- 0.59   0.010% *  0.2524% (0.37   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+  33  15.28 +/- 0.76   0.013% *  0.0823% (0.12   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+  33  18.35 +/- 0.90   0.005% *  0.1239% (0.18   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+ 106  13.96 +/- 1.20   0.020% *  0.0234% (0.03   0.02   0.02) =   0.000%
          HA    PHE   45 - HG2   LYS+  33  16.70 +/- 0.49   0.007% *  0.0510% (0.07   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+  33  23.52 +/- 0.39   0.001% *  0.3237% (0.47   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG2   LYS+ 106  20.99 +/- 1.09   0.002% *  0.1488% (0.22   0.02   0.02) =   0.000%
          HA    LEU   80 - HG2   LYS+ 106  20.08 +/- 1.27   0.002% *  0.0570% (0.08   0.02   0.02) =   0.000%
          HA    THR   23 - HG2   LYS+ 106  22.41 +/- 1.47   0.001% *  0.1160% (0.17   0.02   0.02) =   0.000%
          HB    THR   23 - HG2   LYS+ 106  24.18 +/- 1.49   0.001% *  0.0378% (0.05   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2925 (9.48, 3.99, 61.93 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 2926 (8.66, 3.85, 61.93 ppm):
    3 chemical-shift based assignments, quality = 0.411, support = 3.43, residual support = 33.5:
      O   HN    SER   82 - HB3   SER   82   3.04 +/- 0.15 100.000% * 97.2970% (0.41   3.43  33.53) = 100.000%  kept
          HN    GLY   16 - HB3   SER   82  25.36 +/- 1.05   0.000% *  1.3515% (0.98   0.02   0.02) =   0.000%
          HN    SER  117 - HB3   SER   82  29.21 +/- 0.49   0.000% *  1.3515% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 0.322, support = 3.88, residual support = 17.3:
      O   HN    TRP   49 - HA    SER   48   3.60 +/- 0.02  36.932% * 54.1099% (0.40   3.85  14.59) =  51.464%  kept
          HN    VAL   83 - HB2   SER   82   3.40 +/- 0.12  51.785% * 34.2920% (0.24   4.10  21.50) =  45.732%  kept
          HN    CYS   50 - HA    SER   48   4.39 +/- 0.07  11.222% *  9.7042% (0.36   0.77   0.02) =   2.804%  kept
          HE22  GLN   30 - HA    VAL   70  12.00 +/- 1.31   0.035% *  0.0794% (0.11   0.02   0.02) =   0.000%
          HE22  GLN   30 - HB2   SER   82  15.33 +/- 1.44   0.007% *  0.2287% (0.32   0.02   0.02) =   0.000%
          HN    TRP   49 - HB2   SER   82  17.46 +/- 0.52   0.003% *  0.5123% (0.72   0.02   0.02) =   0.000%
          HN    CYS   50 - HB2   SER   82  18.16 +/- 0.48   0.002% *  0.4605% (0.65   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    SER   48  14.77 +/- 0.54   0.008% *  0.0918% (0.13   0.02   0.02) =   0.000%
          HE22  GLN   30 - HA    SER   48  16.70 +/- 1.39   0.004% *  0.1255% (0.18   0.02   0.02) =   0.000%
          HN    CYS   50 - HA    VAL   70  24.73 +/- 0.34   0.000% *  0.1599% (0.23   0.02   0.02) =   0.000%
          HN    TRP   49 - HA    VAL   70  26.47 +/- 0.38   0.000% *  0.1779% (0.25   0.02   0.02) =   0.000%
          HN    VAL   83 - HA    VAL   70  22.17 +/- 0.45   0.001% *  0.0580% (0.08   0.02   0.02) =   0.000%
    Distance limit 4.05 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 = 4.04, residual support = 33.5:
      O   HN    SER   82 - HB2   SER   82   2.07 +/- 0.10  99.948% * 95.3062% (0.39   4.04  33.53) = 100.000%  kept
          HN    GLY   16 - HA    VAL   70   7.74 +/- 1.19   0.050% *  0.3910% (0.32   0.02   0.02) =   0.000%
          HN    SER   82 - HA    SER   48  14.16 +/- 0.56   0.001% *  0.2593% (0.21   0.02   0.02) =   0.000%
          HN    SER  117 - HA    VAL   70  19.05 +/- 0.45   0.000% *  0.3910% (0.32   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    SER   48  22.67 +/- 0.85   0.000% *  0.6183% (0.51   0.02   0.02) =   0.000%
          HN    GLY   16 - HB2   SER   82  26.08 +/- 1.00   0.000% *  1.1260% (0.93   0.02   0.02) =   0.000%
          HN    SER  117 - HA    SER   48  24.36 +/- 0.27   0.000% *  0.6183% (0.51   0.02   0.02) =   0.000%
          HN    SER  117 - HB2   SER   82  29.79 +/- 0.49   0.000% *  1.1260% (0.93   0.02   0.02) =   0.000%
          HN    SER   82 - HA    VAL   70  24.61 +/- 0.45   0.000% *  0.1640% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.07 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 = 5.22, residual support = 42.0:
          HN    ALA   84 - HB    VAL   83   2.64 +/- 0.19  99.996% * 98.7869% (0.44   5.22  41.97) = 100.000%  kept
          HE21  GLN   32 - HB    VAL   83  16.02 +/- 2.09   0.003% *  0.6980% (0.80   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HB    VAL   83  20.02 +/- 0.48   0.001% *  0.3788% (0.44   0.02   0.02) =   0.000%
          HN    ILE   56 - HB    VAL   83  20.36 +/- 0.52   0.001% *  0.1363% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2930 (6.60, 1.66, 32.03 ppm):
    3 chemical-shift based assignments, quality = 0.651, support = 4.81, residual support = 87.8:
      O   HN    VAL   83 - HB    VAL   83   2.24 +/- 0.07  99.998% * 99.2735% (0.65   4.81  87.80) = 100.000%  kept
          HN    CYS   50 - HB    VAL   83  16.07 +/- 0.55   0.001% *  0.5684% (0.90   0.02   0.02) =   0.000%
          HN    TRP   49 - HB    VAL   83  16.06 +/- 0.56   0.001% *  0.1580% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2931 (7.61, 3.68, 55.33 ppm):
    5 chemical-shift based assignments, quality = 0.936, support = 0.0199, residual support = 0.0199:
          HZ2   TRP   87 - HA    ALA   84   7.91 +/- 0.21  84.743% * 31.7530% (0.96   0.02   0.02) =  89.213%  kept
          HD21  ASN   28 - HA    ALA   84  12.58 +/- 0.67   5.593% * 30.7120% (0.93   0.02   0.02) =   5.695%  kept
          QE    PHE   60 - HA    ALA   84  11.71 +/- 0.50   8.455% * 16.7431% (0.51   0.02   0.02) =   4.694%  kept
          HN    ILE   56 - HA    ALA   84  17.36 +/- 0.46   0.779% *  8.8482% (0.27   0.02   0.02) =   0.228%
          HN    LEU   63 - HA    ALA   84  19.16 +/- 0.37   0.430% * 11.9438% (0.36   0.02   0.02) =   0.170%
    Distance limit 3.53 A violated in 20 structures by 4.19 A, eliminated.
    Peak unassigned.
 
    Peak 2932 (6.69, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 0.4, residual support = 0.4:
          QE    PHE   45 - HA    ALA   84   2.59 +/- 0.31  99.995% * 92.3867% (0.81   0.40   0.40) = 100.000%  kept
          QD    PHE   72 - HA    ALA   84  14.23 +/- 0.38   0.004% *  5.3390% (0.93   0.02   0.02) =   0.000%
          HZ    PHE   72 - HA    ALA   84  18.22 +/- 0.66   0.001% *  2.2744% (0.40   0.02   0.02) =   0.000%
    Distance limit 4.08 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2933 (1.74, 3.68, 55.33 ppm):
    3 chemical-shift based assignments, quality = 0.913, support = 1.19, residual support = 11.7:
          HB    ILE   89 - HA    ALA   84   2.80 +/- 0.21  99.990% * 98.2348% (0.91   1.19  11.73) = 100.000%  kept
          QG1   ILE   56 - HA    ALA   84  13.60 +/- 0.33   0.009% *  0.7801% (0.43   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HA    ALA   84  18.06 +/- 0.42   0.002% *  0.9851% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 0.703, support = 3.43, residual support = 36.7:
          QG2   VAL   83 - HA    ALA   84   3.36 +/- 0.31  83.405% * 48.0643% (0.66   3.56  41.97) =  82.572%  kept
          QD1   ILE   89 - HA    ALA   84   4.49 +/- 0.19  16.322% * 51.8376% (0.89   2.85  11.73) =  17.428%  kept
          QD2   LEU   31 - HA    ALA   84   8.92 +/- 0.48   0.273% *  0.0981% (0.24   0.02   0.02) =   0.001%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2935 (-0.06, 3.68, 55.33 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 2.57, residual support = 11.7:
          HG13  ILE   89 - HA    ALA   84   2.99 +/- 0.23 100.000% *100.0000% (0.55   2.57  11.73) = 100.000%  kept
    Distance limit 3.85 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 = 0.753, support = 3.42, residual support = 30.0:
          QG2   VAL   83 - QB    ALA   84   3.99 +/- 0.28  64.451% * 45.0713% (0.66   3.56  41.97) =  60.280%  kept
          QD1   ILE   89 - QB    ALA   84   4.43 +/- 0.12  34.905% * 54.8367% (0.89   3.22  11.73) =  39.719%  kept
        T QD2   LEU   31 - QB    ALA   84   8.64 +/- 0.42   0.644% *  0.0920% (0.24   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2937 (-0.06, 1.35, 18.25 ppm):
    1 chemical-shift based assignment, quality = 0.546, support = 3.64, residual support = 11.7:
          HG13  ILE   89 - QB    ALA   84   3.62 +/- 0.17 100.000% *100.0000% (0.55   3.64  11.73) = 100.000%  kept
    Distance limit 3.78 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 = 0.4:
          QD    PHE   45 - QB    ALA   84   2.76 +/- 0.33  99.997% * 73.1356% (0.87   0.02   0.40) = 100.000%  kept
          HD2   HIS  122 - QB    ALA   84  17.34 +/- 0.40   0.002% * 14.2817% (0.17   0.02   0.02) =   0.000%
          HE22  GLN  116 - QB    ALA   84  21.75 +/- 0.57   0.001% * 12.5826% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 2939 (6.64, 1.35, 18.25 ppm):
    3 chemical-shift based assignments, quality = 0.774, support = 0.0199, residual support = 0.0199:
          HE22  GLN   30 - QB    ALA   84  10.91 +/- 1.18  43.786% * 46.0056% (0.93   0.02   0.02) =  55.391%  kept
          HN    TRP   49 - QB    ALA   84  10.39 +/- 0.40  55.406% * 28.9138% (0.59   0.02   0.02) =  44.052%  kept
          HD22  ASN   69 - QB    ALA   84  21.19 +/- 0.75   0.808% * 25.0806% (0.51   0.02   0.02) =   0.557%
    Distance limit 4.22 A violated in 20 structures by 5.18 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 = 16.1:
      O   HN    SER   85 - QB    SER   85   2.16 +/- 0.05  99.987% * 98.6335% (0.99   3.15  16.08) = 100.000%  kept
          HN    THR   94 - QB    SER   85  11.86 +/- 0.65   0.004% *  0.1406% (0.22   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER   48  12.86 +/- 0.64   0.002% *  0.1526% (0.24   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   85  16.73 +/- 0.62   0.000% *  0.5479% (0.87   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER   48  11.64 +/- 0.39   0.004% *  0.0343% (0.05   0.02   0.02) =   0.000%
          HN    THR   94 - QB    SER  117  13.57 +/- 0.44   0.002% *  0.0217% (0.03   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   85  18.76 +/- 0.52   0.000% *  0.1106% (0.18   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER   48  21.71 +/- 0.62   0.000% *  0.1336% (0.21   0.02   0.02) =   0.000%
          HN    SER   85 - QB    SER  117  22.16 +/- 0.63   0.000% *  0.0966% (0.15   0.02   0.02) =   0.000%
          HN    GLN   32 - QB    SER  117  25.40 +/- 0.38   0.000% *  0.0845% (0.13   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER   48  22.68 +/- 0.55   0.000% *  0.0270% (0.04   0.02   0.02) =   0.000%
          HN    ALA   34 - QB    SER  117  23.12 +/- 0.37   0.000% *  0.0171% (0.03   0.02   0.02) =   0.000%
    Distance limit 2.97 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   2.89 +/- 0.07  99.926% * 97.6190% (0.87   3.33  13.43) = 100.000%  kept
          HN    GLU-  29 - QB    SER   85  15.21 +/- 0.49   0.005% *  0.6621% (0.98   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   85  15.91 +/- 0.49   0.004% *  0.5409% (0.80   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER   48  15.02 +/- 0.62   0.005% *  0.1429% (0.21   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER  117  10.32 +/- 0.45   0.050% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER   48  18.68 +/- 0.65   0.001% *  0.1614% (0.24   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER   48  18.72 +/- 0.64   0.001% *  0.1319% (0.20   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   85  21.17 +/- 1.84   0.001% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   85  21.50 +/- 0.40   0.001% *  0.0914% (0.14   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER   48  17.18 +/- 0.82   0.002% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    ASP-  86 - QB    SER  117  21.95 +/- 0.60   0.001% *  0.0904% (0.13   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   85  26.12 +/- 1.90   0.000% *  0.1504% (0.22   0.02   0.02) =   0.000%
          HN    GLN   30 - QB    SER  117  24.95 +/- 0.40   0.000% *  0.0835% (0.12   0.02   0.02) =   0.000%
          HN    GLU-  29 - QB    SER  117  26.73 +/- 0.43   0.000% *  0.1022% (0.15   0.02   0.02) =   0.000%
          HN    VAL   18 - QB    SER  117  19.47 +/- 0.57   0.001% *  0.0141% (0.02   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER   48  23.39 +/- 1.93   0.000% *  0.0367% (0.05   0.02   0.02) =   0.000%
          HE1   HIS  122 - QB    SER   48  23.07 +/- 0.47   0.000% *  0.0223% (0.03   0.02   0.02) =   0.000%
          HN    GLU-  14 - QB    SER  117  27.12 +/- 0.65   0.000% *  0.0232% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.45 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2942 (8.67, 3.96, 63.04 ppm):
    6 chemical-shift based assignments, quality = 0.124, support = 3.07, residual support = 16.5:
      O   HN    SER  117 - QB    SER  117   2.20 +/- 0.16 100.000% * 91.3941% (0.12   3.07  16.47) = 100.000%  kept
          HN    SER  117 - QB    SER   85  23.06 +/- 0.66   0.000% *  3.8550% (0.80   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   85  23.97 +/- 0.86   0.000% *  2.7257% (0.57   0.02   0.02) =   0.000%
          HN    SER  117 - QB    SER   48  23.05 +/- 0.37   0.000% *  0.9400% (0.20   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER   48  22.22 +/- 0.79   0.000% *  0.6646% (0.14   0.02   0.02) =   0.000%
          HN    GLY   16 - QB    SER  117  21.33 +/- 0.47   0.000% *  0.4206% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 2.99, residual support = 16.1:
      O   HN    SER   85 - HA    SER   85   2.76 +/- 0.02  99.974% * 99.1534% (0.99   2.99  16.08) = 100.000%  kept
          HN    THR   94 - HA    SER   85  11.25 +/- 0.75   0.024% *  0.1490% (0.22   0.02   0.02) =   0.000%
          HN    GLN   32 - HA    SER   85  18.93 +/- 0.46   0.001% *  0.5805% (0.87   0.02   0.02) =   0.000%
          HN    ALA   34 - HA    SER   85  20.66 +/- 0.46   0.001% *  0.1172% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2944 (8.31, 2.44, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 3.56, residual support = 41.0:
      O   HN    ASP-  86 - HB3   ASP-  86   2.84 +/- 0.50  99.972% * 98.1297% (0.95   3.56  40.96) = 100.000%  kept
          HN    GLN   30 - HB3   ASP-  86  14.86 +/- 0.57   0.009% *  0.5715% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB3   ASP-  86  14.16 +/- 0.42   0.011% *  0.3301% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB3   ASP-  86  16.19 +/- 1.00   0.007% *  0.2614% (0.45   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB3   ASP-  86  21.56 +/- 2.80   0.001% *  0.3068% (0.53   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB3   ASP-  86  27.18 +/- 2.32   0.000% *  0.4005% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2945 (8.32, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 4.87, residual support = 41.0:
      O   HN    ASP-  86 - HB2   ASP-  86   2.42 +/- 0.12  99.991% * 97.0474% (0.49   4.87  40.96) = 100.000%  kept
          HN    GLN   30 - HB2   ASP-  86  13.80 +/- 0.41   0.003% *  0.4632% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  99 - HB2   ASP-  86  15.41 +/- 0.50   0.002% *  0.7553% (0.92   0.02   0.02) =   0.000%
          HN    GLU-  29 - HB2   ASP-  86  13.25 +/- 0.35   0.004% *  0.1262% (0.15   0.02   0.02) =   0.000%
          HE1   HIS  122 - HB2   ASP-  86  20.46 +/- 2.48   0.000% *  0.7896% (0.97   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   ASP-  86  25.94 +/- 2.28   0.000% *  0.8182% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2946 (7.73, 2.94, 40.49 ppm):
    6 chemical-shift based assignments, quality = 0.375, support = 3.6, residual support = 22.3:
          HD1   TRP   87 - HB2   ASP-  86   3.32 +/- 0.09  98.281% * 94.6421% (0.38   3.60  22.32) =  99.984%  kept
          HE3   TRP   87 - HB2   ASP-  86   6.61 +/- 0.18   1.611% *  0.8495% (0.61   0.02  22.32) =   0.015%
          HN    ALA   91 - HB2   ASP-  86  11.71 +/- 0.60   0.054% *  1.3249% (0.95   0.02   0.02) =   0.001%
          HN    TRP   27 - HB2   ASP-  86  11.82 +/- 0.31   0.049% *  1.3516% (0.97   0.02   0.02) =   0.001%
          HN    THR   39 - HB2   ASP-  86  19.19 +/- 0.62   0.003% *  0.5758% (0.41   0.02   0.02) =   0.000%
          HN    ALA   61 - HB2   ASP-  86  22.00 +/- 0.37   0.001% *  1.2561% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.01 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   2.58 +/- 0.30  99.376% * 86.2245% (0.22   2.25  10.83) =  99.990%  kept
          HB3   SER   82 - HB2   ASP-  86   6.08 +/- 0.41   0.618% *  1.4153% (0.41   0.02   0.02) =   0.010%
          HA    GLN   30 - HB2   ASP-  86  16.03 +/- 0.49   0.002% *  3.3223% (0.97   0.02   0.02) =   0.000%
          HB2   CYS   53 - HB2   ASP-  86  20.56 +/- 0.82   0.000% *  3.0874% (0.90   0.02   0.02) =   0.000%
          HD3   PRO   52 - HB2   ASP-  86  21.01 +/- 0.42   0.000% *  3.1779% (0.92   0.02   0.02) =   0.000%
          HA    GLU- 100 - HB2   ASP-  86  17.45 +/- 0.99   0.002% *  0.6813% (0.20   0.02   0.02) =   0.000%
          HB    THR   39 - HB2   ASP-  86  19.63 +/- 0.53   0.001% *  0.5312% (0.15   0.02   0.02) =   0.000%
          HD2   PRO   58 - HB2   ASP-  86  24.50 +/- 0.38   0.000% *  0.9572% (0.28   0.02   0.02) =   0.000%
          QB    SER   13 - HB2   ASP-  86  24.53 +/- 2.70   0.000% *  0.6029% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.59 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2948 (8.32, 4.30, 57.50 ppm):
    6 chemical-shift based assignments, quality = 0.487, support = 4.05, residual support = 41.0:
      O   HN    ASP-  86 - HA    ASP-  86   2.83 +/- 0.01  99.992% * 96.4712% (0.49   4.05  40.96) = 100.000%  kept
          HN    LYS+  99 - HA    ASP-  86  16.49 +/- 0.48   0.003% *  0.9027% (0.92   0.02   0.02) =   0.000%
          HN    GLN   30 - HA    ASP-  86  16.80 +/- 0.41   0.002% *  0.5536% (0.57   0.02   0.02) =   0.000%
          HE1   HIS  122 - HA    ASP-  86  21.57 +/- 2.55   0.001% *  0.9437% (0.97   0.02   0.02) =   0.000%
          HN    GLU-  29 - HA    ASP-  86  16.27 +/- 0.37   0.003% *  0.1509% (0.15   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    ASP-  86  28.76 +/- 2.22   0.000% *  0.9779% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2949 (7.72, 4.34, 57.63 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.31, residual support = 65.7:
          HE3   TRP   87 - HA    TRP   87   2.91 +/- 0.09  99.924% * 98.4747% (0.99   3.31  65.65) = 100.000%  kept
          HN    ALA   91 - HA    TRP   87   9.98 +/- 0.57   0.065% *  0.5210% (0.87   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    TRP   87  13.86 +/- 0.24   0.009% *  0.3160% (0.53   0.02   6.25) =   0.000%
          HN    ALA   61 - HA    TRP   87  19.73 +/- 0.43   0.001% *  0.5545% (0.92   0.02   0.02) =   0.000%
          HN    GLN   17 - HA    TRP   87  21.79 +/- 0.89   0.001% *  0.1337% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2950 (7.72, 3.41, 28.05 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 3.02, residual support = 65.7:
      O   HE3   TRP   87 - HB2   TRP   87   2.61 +/- 0.03  99.912% * 98.3317% (0.99   3.02  65.65) = 100.000%  kept
          HN    ALA   91 - HB2   TRP   87   8.71 +/- 0.56   0.079% *  0.5699% (0.87   0.02   0.02) =   0.000%
          HN    TRP   27 - HB2   TRP   87  12.85 +/- 0.32   0.007% *  0.3457% (0.53   0.02   6.25) =   0.000%
          HN    ALA   61 - HB2   TRP   87  17.26 +/- 0.42   0.001% *  0.6065% (0.92   0.02   0.02) =   0.000%
          HN    GLN   17 - HB2   TRP   87  19.80 +/- 0.85   0.001% *  0.1463% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.976, support = 0.0197, residual support = 64.7:
      O   HE3   TRP   87 - HB3   TRP   87   4.11 +/- 0.01  98.241% * 28.0743% (0.99   0.02  65.65) =  98.514%  kept
          HN    ALA   91 - HB3   TRP   87   8.30 +/- 0.55   1.582% * 24.5699% (0.87   0.02   0.02) =   1.389%
          HN    TRP   27 - HB3   TRP   87  12.05 +/- 0.31   0.155% * 14.9024% (0.53   0.02   6.25) =   0.083%
          HN    ALA   61 - HB3   TRP   87  17.88 +/- 0.32   0.015% * 26.1473% (0.92   0.02   0.02) =   0.014%
          HN    GLN   17 - HB3   TRP   87  20.27 +/- 0.76   0.007% *  6.3061% (0.22   0.02   0.02) =   0.002%
    Distance limit 3.27 A violated in 20 structures by 0.83 A, eliminated.
    Peak unassigned.
 
    Peak 2952 (0.08, 3.41, 28.05 ppm):
    3 chemical-shift based assignments, quality = 0.9, support = 2.15, residual support = 13.5:
          QD1   ILE   89 - HB2   TRP   87   2.76 +/- 0.16  96.640% * 50.2591% (0.90   2.16  13.37) =  96.827%  kept
          QG2   VAL   83 - HB2   TRP   87   4.91 +/- 0.17   3.223% * 49.3638% (1.00   1.90  18.88) =   3.172%  kept
          QD2   LEU   31 - HB2   TRP   87   8.39 +/- 0.43   0.137% *  0.3771% (0.73   0.02   2.24) =   0.001%
    Distance limit 3.83 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 = 0.424, support = 3.31, residual support = 14.0:
        T QD1   ILE   89 - HB3   TRP   87   3.52 +/- 0.19  63.109% * 81.7881% (0.45   3.52  13.37) =  89.122%  kept
          QG2   VAL   83 - HB3   TRP   87   3.90 +/- 0.20  35.483% * 17.7428% (0.22   1.54  18.88) =  10.871%  kept
          QG2   VAL   75 - HB3   TRP   87   6.72 +/- 0.26   1.348% *  0.2878% (0.28   0.02   0.02) =   0.007%
          QG2   VAL   42 - HB3   TRP   87  11.29 +/- 0.44   0.060% *  0.1813% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2954 (1.25, 2.50, 28.05 ppm):
    11 chemical-shift based assignments, quality = 0.223, support = 0.75, residual support = 13.4:
          HG12  ILE   89 - HB3   TRP   87   2.33 +/- 0.26  99.939% * 54.8868% (0.22   0.75  13.37) =  99.995%  kept
          QB    ALA   91 - HB3   TRP   87   9.07 +/- 0.71   0.037% *  5.7027% (0.87   0.02   0.02) =   0.004%
          HG2   LYS+  74 - HB3   TRP   87  11.95 +/- 0.49   0.007% *  5.8960% (0.90   0.02   0.02) =   0.001%
          QG2   ILE   56 - HB3   TRP   87  11.85 +/- 0.25   0.007% *  2.7027% (0.41   0.02   0.02) =   0.000%
          QB    ALA   34 - HB3   TRP   87  12.18 +/- 0.45   0.006% *  1.6393% (0.25   0.02   0.02) =   0.000%
          QG2   THR   39 - HB3   TRP   87  16.37 +/- 0.33   0.001% *  5.7027% (0.87   0.02   0.02) =   0.000%
          HG    LEU   71 - HB3   TRP   87  16.99 +/- 1.01   0.001% *  5.7027% (0.87   0.02   0.02) =   0.000%
          HG13  ILE   19 - HB3   TRP   87  17.55 +/- 0.46   0.001% *  6.5596% (1.00   0.02   0.02) =   0.000%
          HG3   LYS+  99 - HB3   TRP   87  17.93 +/- 0.57   0.001% *  6.0688% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+  38 - HB3   TRP   87  20.93 +/- 1.04   0.000% *  3.9875% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HB3   TRP   87  17.25 +/- 0.47   0.001% *  1.1513% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2955 (7.84, 3.98, 52.68 ppm):
    5 chemical-shift based assignments, quality = 0.375, support = 1.63, residual support = 11.2:
      O   HN    ALA   88 - HA    ALA   88   2.22 +/- 0.01  99.999% * 91.1240% (0.38   1.63  11.25) = 100.000%  kept
          HN    LEU   31 - HA    ALA   88  18.02 +/- 0.36   0.000% *  2.5803% (0.87   0.02   0.02) =   0.000%
          HN    PHE   55 - HA    ALA   88  20.51 +/- 0.38   0.000% *  2.5803% (0.87   0.02   0.02) =   0.000%
          HN    ARG+  54 - HA    ALA   88  20.13 +/- 0.43   0.000% *  1.3336% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  62 - HA    ALA   88  22.92 +/- 0.59   0.000% *  2.3819% (0.80   0.02   0.02) =   0.000%
    Distance limit 2.90 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 = 1.88, residual support = 11.2:
      O   HN    ALA   88 - QB    ALA   88   2.91 +/- 0.03  99.987% * 92.2113% (0.38   1.88  11.25) = 100.000%  kept
          HN    LEU   31 - QB    ALA   88  14.96 +/- 0.32   0.006% *  2.2642% (0.87   0.02   0.02) =   0.000%
          HN    PHE   55 - QB    ALA   88  16.80 +/- 0.33   0.003% *  2.2642% (0.87   0.02   0.02) =   0.000%
          HN    ASP-  62 - QB    ALA   88  18.29 +/- 0.73   0.002% *  2.0901% (0.80   0.02   0.02) =   0.000%
          HN    ARG+  54 - QB    ALA   88  16.75 +/- 0.41   0.003% *  1.1702% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2957 (0.10, 3.87, 59.74 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 5.98, residual support = 214.5:
          QD1   ILE   89 - HA    ILE   89   2.52 +/- 0.23  99.862% * 99.6619% (0.92   5.98 214.55) = 100.000%  kept
          QG2   VAL   83 - HA    ILE   89   7.86 +/- 0.27   0.129% *  0.2481% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   31 - HA    ILE   89  12.23 +/- 0.29   0.009% *  0.0901% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.17 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 = 6.23, residual support = 38.7:
      O   HN    GLN   90 - HA    ILE   89   2.55 +/- 0.30  99.692% * 99.4767% (0.99   6.23  38.74) = 100.000%  kept
          HN    GLY  109 - HA    ILE   89   6.97 +/- 0.42   0.285% *  0.0896% (0.28   0.02   0.02) =   0.000%
          HN    SER   82 - HA    ILE   89  11.02 +/- 0.42   0.019% *  0.1445% (0.45   0.02   0.02) =   0.000%
          HN    ILE  103 - HA    ILE   89  14.77 +/- 0.39   0.003% *  0.2891% (0.90   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2959 (7.92, 3.87, 59.74 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.99, residual support = 214.5:
      O   HN    ILE   89 - HA    ILE   89   2.89 +/- 0.04  99.991% * 98.8742% (0.76   5.99 214.55) = 100.000%  kept
          HN    CYS   21 - HA    ILE   89  14.81 +/- 0.50   0.006% *  0.3873% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HA    ILE   89  17.47 +/- 0.47   0.002% *  0.4085% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE   89  23.47 +/- 0.22   0.000% *  0.2445% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE   89  20.93 +/- 0.28   0.001% *  0.0855% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2960 (7.73, 3.87, 59.74 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 2.49, residual support = 7.83:
          HN    ALA   91 - HA    ILE   89   3.54 +/- 0.44  97.511% * 97.3088% (0.95   2.49   7.83) =  99.989%  kept
          HE3   TRP   87 - HA    ILE   89   7.50 +/- 0.29   1.345% *  0.5015% (0.61   0.02  13.37) =   0.007%
          HD1   TRP   87 - HA    ILE   89   7.70 +/- 0.19   1.119% *  0.3103% (0.38   0.02  13.37) =   0.004%
          HN    TRP   27 - HA    ILE   89  16.02 +/- 0.35   0.013% *  0.7979% (0.97   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE   89  17.24 +/- 0.37   0.009% *  0.7415% (0.90   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE   89  22.17 +/- 0.25   0.002% *  0.3399% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.01 A, kept.
 
    Peak 2961 (0.10, 1.74, 34.76 ppm):
    6 chemical-shift based assignments, quality = 0.739, support = 5.31, residual support = 214.5:
      O T QD1   ILE   89 - HB    ILE   89   3.14 +/- 0.07  84.270% * 99.4557% (0.74   5.31 214.55) =  99.980%  kept
        T QD1   ILE   89 - HB    VAL   43   4.47 +/- 0.25  10.677% *  0.0817% (0.16   0.02   0.02) =   0.010%
          QG2   VAL   83 - HB    ILE   89   5.66 +/- 0.35   2.583% *  0.2785% (0.55   0.02   0.02) =   0.009%
          QG2   VAL   83 - HB    VAL   43   6.61 +/- 0.33   1.015% *  0.0608% (0.12   0.02   0.02) =   0.001%
        T QD2   LEU   31 - HB    VAL   43   6.25 +/- 0.22   1.388% *  0.0221% (0.04   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    ILE   89  10.43 +/- 0.52   0.066% *  0.1011% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2962 (-0.07, 1.74, 34.76 ppm):
    2 chemical-shift based assignments, quality = 0.785, support = 4.97, residual support = 214.5:
      O T HG13  ILE   89 - HB    ILE   89   2.30 +/- 0.05  99.466% * 99.9123% (0.78   4.97 214.55) = 100.000%  kept
        T HG13  ILE   89 - HB    VAL   43   5.63 +/- 0.47   0.534% *  0.0877% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.27 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 = 5.56, residual support = 214.5:
      O   HN    ILE   89 - HB    ILE   89   2.70 +/- 0.10  99.825% * 98.4518% (0.61   5.56 214.55) = 100.000%  kept
          HN    ILE   89 - HB    VAL   43   8.48 +/- 0.33   0.110% *  0.0773% (0.13   0.02   0.02) =   0.000%
          HN    CYS   21 - HB    ILE   89  12.36 +/- 0.60   0.012% *  0.4153% (0.72   0.02   0.02) =   0.000%
          HN    CYS   21 - HB    VAL   43  10.20 +/- 0.30   0.035% *  0.0907% (0.16   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    VAL   43  14.15 +/- 0.32   0.005% *  0.0957% (0.17   0.02   0.02) =   0.000%
          HN    ILE  119 - HB    ILE   89  18.52 +/- 0.31   0.001% *  0.4381% (0.76   0.02   0.02) =   0.000%
          HN    SER   37 - HB    VAL   43  15.32 +/- 0.28   0.003% *  0.0573% (0.10   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    VAL   43  13.38 +/- 0.33   0.007% *  0.0200% (0.03   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE   89  21.83 +/- 0.41   0.000% *  0.2622% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE   89  18.76 +/- 0.56   0.001% *  0.0917% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2964 (5.61, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   ILE   89   8.30 +/- 0.27 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.54 A violated in 20 structures by 4.76 A, eliminated.
    Peak unassigned.
 
    Peak 2965 (7.75, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.931, support = 0.0197, residual support = 13.2:
          HD1   TRP   87 - QG2   ILE   89   6.21 +/- 0.18  97.074% * 23.9067% (0.95   0.02  13.37) =  98.464%  kept
          HN    TRP   27 - QG2   ILE   89  11.84 +/- 0.39   2.078% *  8.6206% (0.34   0.02   0.02) =   0.760%
          HN    LYS+ 102 - QG2   ILE   89  14.96 +/- 0.48   0.509% * 20.2366% (0.80   0.02   0.02) =   0.437%
          HN    THR   39 - QG2   ILE   89  17.53 +/- 0.30   0.195% * 23.3294% (0.92   0.02   0.02) =   0.193%
          HN    GLU-  36 - QG2   ILE   89  18.41 +/- 0.27   0.144% * 23.9067% (0.95   0.02   0.02) =   0.147%
    Distance limit 3.60 A violated in 20 structures by 2.61 A, eliminated.
    Peak unassigned.
 
    Peak 2966 (8.63, 0.63, 17.89 ppm):
    5 chemical-shift based assignments, quality = 0.607, support = 7.08, residual support = 38.7:
          HN    GLN   90 - QG2   ILE   89   2.03 +/- 0.33  99.976% * 99.1695% (0.61   7.08  38.74) = 100.000%  kept
          HN    SER   82 - QG2   ILE   89   8.89 +/- 0.26   0.020% *  0.4266% (0.92   0.02   0.02) =   0.000%
          HN    ILE  103 - QG2   ILE   89  12.78 +/- 0.29   0.002% *  0.1900% (0.41   0.02   0.02) =   0.000%
          HN    SER  117 - QG2   ILE   89  14.67 +/- 0.33   0.001% *  0.0713% (0.15   0.02   0.02) =   0.000%
          HN    GLY   16 - QG2   ILE   89  17.59 +/- 0.76   0.000% *  0.1426% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2967 (3.06, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 0.75, residual support = 12.8:
        T HB2   PHE   45 - QG2   ILE   89   2.11 +/- 0.35  99.973% * 95.9593% (0.97   0.75  12.76) = 100.000%  kept
          HB2   CYS   21 - QG2   ILE   89   9.18 +/- 0.43   0.019% *  1.3950% (0.53   0.02   0.02) =   0.000%
          QE    LYS+ 111 - QG2   ILE   89  11.18 +/- 0.51   0.008% *  2.6456% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.99 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2968 (2.29, 0.63, 17.89 ppm):
    11 chemical-shift based assignments, quality = 0.154, support = 5.15, residual support = 38.7:
          QG    GLN   90 - QG2   ILE   89   3.82 +/- 0.12  93.343% * 89.1753% (0.15   5.15  38.74) =  99.909%  kept
          HG2   MET   92 - QG2   ILE   89   7.22 +/- 0.57   2.629% *  1.6295% (0.73   0.02   0.02) =   0.051%
          HB2   GLU-  79 - QG2   ILE   89   8.52 +/- 0.76   0.897% *  1.2704% (0.57   0.02   0.02) =   0.014%
          HB2   ASP-  44 - QG2   ILE   89   7.47 +/- 0.42   1.765% *  0.6239% (0.28   0.02   0.02) =   0.013%
          QG    GLU- 114 - QG2   ILE   89   9.79 +/- 0.59   0.364% *  1.4516% (0.65   0.02   0.02) =   0.006%
          HG2   PRO   52 - QG2   ILE   89   8.44 +/- 0.43   0.844% *  0.4996% (0.22   0.02   0.02) =   0.005%
          HB3   PHE   72 - QG2   ILE   89  11.67 +/- 0.85   0.125% *  0.4441% (0.20   0.02   0.02) =   0.001%
          QG    GLU-  15 - QG2   ILE   89  16.97 +/- 1.17   0.013% *  0.8422% (0.38   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   ILE   89  17.52 +/- 1.84   0.013% *  0.5595% (0.25   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QG2   ILE   89  21.17 +/- 0.29   0.003% *  1.6295% (0.73   0.02   0.02) =   0.000%
          QB    MET   11 - QG2   ILE   89  23.43 +/- 2.43   0.002% *  1.8743% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.63 A violated in 4 structures by 0.19 A, kept.
 
    Peak 2969 (2.44, 0.63, 17.89 ppm):
    8 chemical-shift based assignments, quality = 0.487, support = 0.75, residual support = 12.8:
        T HB3   PHE   45 - QG2   ILE   89   2.19 +/- 0.41  99.745% * 82.4453% (0.49   0.75  12.76) =  99.994%  kept
          HG3   MET   96 - QG2   ILE   89   7.44 +/- 0.38   0.128% *  1.5407% (0.34   0.02   2.25) =   0.002%
          HB3   ASP-  86 - QG2   ILE   89   8.91 +/- 0.18   0.040% *  4.5168% (1.00   0.02   0.02) =   0.002%
          HB    VAL  107 - QG2   ILE   89   8.26 +/- 0.36   0.077% *  0.6969% (0.15   0.02   0.02) =   0.001%
          QE    LYS+ 112 - QG2   ILE   89  12.23 +/- 0.43   0.007% *  2.1985% (0.49   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QG2   ILE   89  15.24 +/- 0.54   0.001% *  3.4518% (0.76   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QG2   ILE   89  17.23 +/- 0.56   0.001% *  4.3590% (0.97   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QG2   ILE   89  20.51 +/- 0.77   0.000% *  0.7910% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2970 (1.34, 0.63, 17.89 ppm):
    12 chemical-shift based assignments, quality = 0.474, support = 2.01, residual support = 11.4:
          QB    ALA   84 - QG2   ILE   89   3.11 +/- 0.22  91.962% * 40.2650% (0.49   1.88  11.73) =  93.169%  kept
          QB    ALA   88 - QG2   ILE   89   5.08 +/- 0.16   5.115% * 52.7217% (0.31   3.87   7.03) =   6.785%  kept
          HB3   LEU   80 - QG2   ILE   89   7.33 +/- 1.25   0.783% *  0.8741% (0.99   0.02   0.02) =   0.017%
          HB3   PRO   93 - QG2   ILE   89   6.35 +/- 0.17   1.334% *  0.3954% (0.45   0.02   0.02) =   0.013%
          HB3   ASP-  44 - QG2   ILE   89   7.37 +/- 0.52   0.584% *  0.7649% (0.87   0.02   0.02) =   0.011%
          HG2   LYS+ 111 - QG2   ILE   89  10.65 +/- 0.54   0.068% *  0.8511% (0.97   0.02   0.02) =   0.001%
          HG    LEU   98 - QG2   ILE   89   9.91 +/- 0.76   0.103% *  0.5349% (0.61   0.02   0.02) =   0.001%
          HB2   LEU   63 - QG2   ILE   89  12.31 +/- 0.27   0.025% *  0.8342% (0.95   0.02   0.02) =   0.001%
          HB2   LEU   31 - QG2   ILE   89  13.26 +/- 0.34   0.016% *  0.8741% (0.99   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QG2   ILE   89  16.61 +/- 0.31   0.004% *  0.6739% (0.76   0.02   0.02) =   0.000%
          QB    ALA  124 - QG2   ILE   89  19.19 +/- 0.46   0.002% *  0.6404% (0.73   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QG2   ILE   89  19.95 +/- 0.47   0.001% *  0.5705% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.41 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2971 (-0.07, 0.63, 17.89 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.69, residual support = 214.5:
      O T HG13  ILE   89 - QG2   ILE   89   2.67 +/- 0.12 100.000% *100.0000% (0.98   5.69 214.55) = 100.000%  kept
    Distance limit 3.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2972 (0.10, 0.63, 17.89 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 6.31, residual support = 214.5:
        T QD1   ILE   89 - QG2   ILE   89   1.80 +/- 0.06  99.920% * 99.6797% (0.92   6.31 214.55) = 100.000%  kept
        T QG2   VAL   83 - QG2   ILE   89   6.03 +/- 0.28   0.074% *  0.2350% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   31 - QG2   ILE   89   9.20 +/- 0.34   0.006% *  0.0853% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2973 (0.10, 1.22, 26.04 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 5.48, residual support = 214.5:
      O T QD1   ILE   89 - HG12  ILE   89   2.14 +/- 0.01  99.712% * 99.3359% (0.92   5.48 214.55) =  99.999%  kept
          QG2   VAL   83 - HG12  ILE   89   5.76 +/- 0.29   0.270% *  0.2699% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   31 - HG12  ILE   89   9.97 +/- 0.39   0.010% *  0.0980% (0.25   0.02   0.02) =   0.000%
          QD2   LEU   31 - HG3   LYS+  99  11.06 +/- 1.23   0.007% *  0.0397% (0.10   0.02   0.02) =   0.000%
        T QD1   ILE   89 - HG3   LYS+  99  14.60 +/- 0.47   0.001% *  0.1471% (0.37   0.02   0.02) =   0.000%
          QG2   VAL   83 - HG3   LYS+  99  15.43 +/- 0.63   0.001% *  0.1095% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2974 (-0.07, 1.22, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 5.12, residual support = 214.5:
      O T HG13  ILE   89 - HG12  ILE   89   1.75 +/- 0.00 100.000% * 99.8418% (0.98   5.12 214.55) = 100.000%  kept
        T HG13  ILE   89 - HG3   LYS+  99  18.13 +/- 0.64   0.000% *  0.1582% (0.40   0.02   0.02) =   0.000%
    Distance limit 2.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2975 (0.08, -0.08, 26.04 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 5.27, residual support = 214.5:
      O T QD1   ILE   89 - HG13  ILE   89   2.14 +/- 0.01  99.376% * 99.2755% (0.90   5.27 214.55) =  99.997%  kept
          QG2   VAL   83 - HG13  ILE   89   5.06 +/- 0.33   0.605% *  0.4197% (1.00   0.02   0.02) =   0.003%
          QD2   LEU   31 - HG13  ILE   89   9.01 +/- 0.38   0.018% *  0.3048% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2976 (0.64, -0.08, 26.04 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 5.69, residual support = 214.5:
      O T QG2   ILE   89 - HG13  ILE   89   2.67 +/- 0.12  99.660% * 99.9064% (0.84   5.69 214.55) = 100.000%  kept
          QG1   VAL   83 - HG13  ILE   89   7.34 +/- 0.65   0.340% *  0.0936% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.54 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2977 (1.75, -0.08, 26.04 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 4.97, residual support = 214.5:
      O T HB    ILE   89 - HG13  ILE   89   2.30 +/- 0.05  99.449% * 98.8347% (0.49   4.97 214.55) =  99.998%  kept
        T HB    VAL   43 - HG13  ILE   89   5.63 +/- 0.47   0.534% *  0.3973% (0.49   0.02   0.02) =   0.002%
          QD    LYS+  81 - HG13  ILE   89  10.25 +/- 0.68   0.015% *  0.3356% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+  99 - HG13  ILE   89  16.40 +/- 0.55   0.001% *  0.3064% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG13  ILE   89  16.17 +/- 0.44   0.001% *  0.1260% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 5.51, residual support = 214.5:
          HN    ILE   89 - HG13  ILE   89   3.16 +/- 0.25  99.948% * 98.7779% (0.76   5.51 214.55) = 100.000%  kept
          HN    CYS   21 - HG13  ILE   89  11.88 +/- 0.45   0.042% *  0.4204% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HG13  ILE   89  17.24 +/- 0.42   0.004% *  0.4435% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE   89  19.84 +/- 0.31   0.002% *  0.2654% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG13  ILE   89  17.10 +/- 0.38   0.004% *  0.0928% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 5.72, residual support = 214.5:
          HN    ILE   89 - HG12  ILE   89   1.89 +/- 0.06  99.994% * 98.2137% (0.76   5.72 214.55) = 100.000%  kept
          HN    SER   37 - HG3   LYS+  99  10.53 +/- 0.95   0.004% *  0.1032% (0.23   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE   89  13.56 +/- 0.44   0.001% *  0.4031% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - HG12  ILE   89  17.56 +/- 0.40   0.000% *  0.4252% (0.95   0.02   0.02) =   0.000%
          HN    ILE  119 - HG3   LYS+  99  16.22 +/- 0.48   0.000% *  0.1724% (0.38   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG3   LYS+  99  14.12 +/- 1.01   0.001% *  0.0361% (0.08   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE   89  20.73 +/- 0.34   0.000% *  0.2545% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - HG12  ILE   89  18.22 +/- 0.37   0.000% *  0.0890% (0.20   0.02   0.02) =   0.000%
          HN    CYS   21 - HG3   LYS+  99  20.41 +/- 1.00   0.000% *  0.1635% (0.36   0.02   0.02) =   0.000%
          HN    ILE   89 - HG3   LYS+  99  20.05 +/- 0.52   0.000% *  0.1393% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2980 (-0.07, 0.09, 9.19 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 5.27, residual support = 214.5:
      O T HG13  ILE   89 - QD1   ILE   89   2.14 +/- 0.01 100.000% *100.0000% (0.98   5.27 214.55) = 100.000%  kept
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2981 (0.64, 0.09, 9.19 ppm):
    2 chemical-shift based assignments, quality = 0.835, support = 6.31, residual support = 214.5:
        T QG2   ILE   89 - QD1   ILE   89   1.80 +/- 0.06  99.979% * 99.9156% (0.84   6.31 214.55) = 100.000%  kept
        T QG1   VAL   83 - QD1   ILE   89   7.73 +/- 0.53   0.021% *  0.0844% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2982 (1.22, 0.09, 9.19 ppm):
    8 chemical-shift based assignments, quality = 0.998, support = 5.48, residual support = 214.5:
      O T HG12  ILE   89 - QD1   ILE   89   2.14 +/- 0.01  99.969% * 98.7931% (1.00   5.48 214.55) = 100.000%  kept
          HG2   LYS+  74 - QD1   ILE   89   8.89 +/- 0.45   0.020% *  0.1760% (0.49   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - QD1   ILE   89  10.94 +/- 0.42   0.006% *  0.3544% (0.98   0.02   0.02) =   0.000%
          HG    LEU   71 - QD1   ILE   89  14.28 +/- 0.64   0.001% *  0.1902% (0.53   0.02   0.02) =   0.000%
          HB3   LEU   71 - QD1   ILE   89  13.63 +/- 0.78   0.002% *  0.1233% (0.34   0.02   0.02) =   0.000%
        T HG3   LYS+  99 - QD1   ILE   89  14.60 +/- 0.47   0.001% *  0.1621% (0.45   0.02   0.02) =   0.000%
          HG13  ILE   19 - QD1   ILE   89  14.71 +/- 0.19   0.001% *  0.1005% (0.28   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - QD1   ILE   89  15.34 +/- 0.55   0.001% *  0.1005% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2983 (1.75, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.487, support = 5.31, residual support = 214.4:
      O T HB    ILE   89 - QD1   ILE   89   3.14 +/- 0.07  88.619% * 98.9083% (0.49   5.31 214.55) =  99.952%  kept
        T HB    VAL   43 - QD1   ILE   89   4.47 +/- 0.25  11.230% *  0.3723% (0.49   0.02   0.02) =   0.048%
          QD    LYS+  81 - QD1   ILE   89   9.75 +/- 0.61   0.114% *  0.3144% (0.41   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QD1   ILE   89  13.00 +/- 0.43   0.018% *  0.2870% (0.38   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD1   ILE   89  12.82 +/- 0.29   0.019% *  0.1180% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.36 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2984 (1.95, 0.09, 9.19 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 0.75, residual support = 2.25:
        T HB3   MET   96 - QD1   ILE   89   3.21 +/- 0.13  99.930% * 86.9496% (0.53   0.75   2.25) =  99.998%  kept
          HB    VAL   18 - QD1   ILE   89  12.98 +/- 0.85   0.027% *  2.6730% (0.61   0.02   0.02) =   0.001%
          HB2   LEU   40 - QD1   ILE   89  13.71 +/- 0.35   0.017% *  3.9524% (0.90   0.02   0.02) =   0.001%
          HB3   ARG+  54 - QD1   ILE   89  14.72 +/- 0.54   0.011% *  3.8228% (0.87   0.02   0.02) =   0.001%
          HB2   LEU   67 - QD1   ILE   89  14.46 +/- 0.73   0.013% *  1.5033% (0.34   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD1   ILE   89  19.56 +/- 1.53   0.002% *  1.0989% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2985 (2.49, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.764, support = 3.52, residual support = 13.4:
        T HB3   TRP   87 - QD1   ILE   89   3.52 +/- 0.19  87.994% * 99.0815% (0.76   3.52  13.37) =  99.986%  kept
          HG3   MET   96 - QD1   ILE   89   4.99 +/- 0.38  11.992% *  0.0996% (0.14   0.02   2.25) =   0.014%
          HG3   GLN  116 - QD1   ILE   89  15.87 +/- 0.38   0.011% *  0.6145% (0.84   0.02   0.02) =   0.000%
          HG2   GLU-  36 - QD1   ILE   89  19.04 +/- 0.61   0.004% *  0.2045% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2986 (3.90, 0.09, 9.19 ppm):
    2 chemical-shift based assignments, quality = 0.484, support = 0.02, residual support = 0.02:
          HA    PHE   60 - QD1   ILE   89  10.59 +/- 0.27  51.327% * 62.4025% (0.57   0.02   0.02) =  63.640%  kept
          HB    THR  118 - QD1   ILE   89  10.68 +/- 0.27  48.673% * 37.5975% (0.34   0.02   0.02) =  36.360%  kept
    Distance limit 2.94 A violated in 20 structures by 6.53 A, eliminated.
    Peak unassigned.
 
    Peak 2987 (6.84, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 2.73, residual support = 12.8:
          QD    PHE   45 - QD1   ILE   89   2.28 +/- 0.18  99.995% * 96.3639% (0.45   2.73  12.76) = 100.000%  kept
          HD2   HIS  122 - QD1   ILE   89  12.57 +/- 0.39   0.004% *  1.5585% (0.99   0.02   0.02) =   0.000%
          HE22  GLN  116 - QD1   ILE   89  17.31 +/- 0.49   0.001% *  1.5413% (0.98   0.02   0.02) =   0.000%
          HE22  GLN   17 - QD1   ILE   89  18.82 +/- 0.85   0.000% *  0.5364% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2988 (7.69, 0.09, 9.19 ppm):
    4 chemical-shift based assignments, quality = 0.697, support = 2.08, residual support = 13.4:
          HN    TRP   87 - QD1   ILE   89   4.98 +/- 0.26  25.632% * 80.7974% (0.97   2.29  13.37) =  61.047%  kept
          HE3   TRP   87 - QD1   ILE   89   4.13 +/- 0.14  74.335% * 17.7770% (0.28   1.75  13.37) =  38.953%  kept
          HN    GLN   17 - QD1   ILE   89  16.18 +/- 0.39   0.021% *  0.7326% (1.00   0.02   0.02) =   0.000%
          HD21  ASN   69 - QD1   ILE   89  17.59 +/- 0.83   0.013% *  0.6930% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.91 A violated in 0 structures by 0.05 A, kept.
 
    Peak 2989 (7.92, 0.09, 9.19 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 5.89, residual support = 214.5:
          HN    ILE   89 - QD1   ILE   89   3.41 +/- 0.17  99.835% * 98.8542% (0.76   5.89 214.55) =  99.999%  kept
          HN    CYS   21 - QD1   ILE   89  10.82 +/- 0.26   0.105% *  0.3942% (0.90   0.02   0.02) =   0.000%
          HN    ILE  119 - QD1   ILE   89  12.70 +/- 0.28   0.039% *  0.4158% (0.95   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE   89  17.03 +/- 0.18   0.007% *  0.2489% (0.57   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE   89  15.19 +/- 0.19   0.014% *  0.0870% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2990 (8.61, 2.27, 34.07 ppm):
    3 chemical-shift based assignments, quality = 0.685, support = 5.67, residual support = 89.6:
          HN    GLN   90 - QG    GLN   90   2.73 +/- 0.57  99.849% * 99.2276% (0.69   5.67  89.58) =  99.999%  kept
          HN    GLY  109 - QG    GLN   90   8.40 +/- 1.84   0.147% *  0.3499% (0.69   0.02   0.02) =   0.001%
          HN    ILE  103 - QG    GLN   90  15.96 +/- 0.91   0.004% *  0.4226% (0.83   0.02   0.02) =   0.000%
    Distance limit 3.88 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2991 (8.62, 1.87, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.828, support = 5.58, residual support = 89.6:
      O   HN    GLN   90 - HB3   GLN   90   3.64 +/- 0.18  99.164% * 99.4163% (0.83   5.58  89.58) =  99.999%  kept
          HN    SER   82 - HB3   GLN   90   9.82 +/- 1.95   0.421% *  0.1612% (0.37   0.02   0.02) =   0.001%
          HN    GLY  109 - HB3   GLN   90   9.75 +/- 1.19   0.410% *  0.1000% (0.23   0.02   0.02) =   0.000%
          HN    ILE  103 - HB3   GLN   90  19.05 +/- 0.65   0.005% *  0.3225% (0.75   0.02   0.02) =   0.000%
    Distance limit 3.66 A violated in 0 structures by 0.07 A, kept.
 
    Peak 2992 (8.04, 2.15, 31.73 ppm):
    8 chemical-shift based assignments, quality = 0.161, support = 3.86, residual support = 54.4:
      O   HN    GLU-  79 - HB3   GLU-  79   3.03 +/- 0.36  97.237% * 91.9012% (0.16   3.86  54.40) =  99.949%  kept
          HN    SER   85 - HB2   GLN   90   6.32 +/- 1.36   2.241% *  1.8064% (0.61   0.02   0.02) =   0.045%
          HN    SER   85 - HB3   GLU-  79   9.35 +/- 0.62   0.152% *  1.3073% (0.44   0.02   0.02) =   0.002%
          HN    GLU-  79 - HB2   GLN   90   9.40 +/- 2.07   0.254% *  0.6572% (0.22   0.02   0.02) =   0.002%
          HN    THR   94 - HB2   GLN   90  10.05 +/- 0.45   0.089% *  1.6237% (0.55   0.02   0.02) =   0.002%
          HN    THR   94 - HB3   GLU-  79  12.67 +/- 0.73   0.021% *  1.1750% (0.40   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   GLU-  79  16.03 +/- 0.79   0.006% *  0.6420% (0.22   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   GLN   90  22.22 +/- 1.00   0.001% *  0.8871% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.62 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 = 4.23, residual support = 54.4:
      O T HA    GLU-  79 - HB3   GLU-  79   2.79 +/- 0.17  86.121% * 92.6965% (0.57   4.23  54.40) =  99.914%  kept
          HB    THR   77 - HB2   GLN   90   5.27 +/- 1.94   8.727% *  0.4946% (0.64   0.02   0.02) =   0.054%
          HA    SER   85 - HB2   GLN   90   5.18 +/- 1.07   4.877% *  0.4946% (0.64   0.02   0.02) =   0.030%
          HB    THR   77 - HB3   GLU-  79   7.95 +/- 0.37   0.180% *  0.3579% (0.46   0.02   0.02) =   0.001%
        T HA    GLU-  79 - HB2   GLN   90  10.83 +/- 2.12   0.044% *  0.6055% (0.78   0.02   0.02) =   0.000%
          HA    SER   85 - HB3   GLU-  79  11.66 +/- 0.61   0.019% *  0.3579% (0.46   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB2   GLN   90  13.12 +/- 0.58   0.009% *  0.4485% (0.58   0.02   0.02) =   0.000%
          HA    ASP-  44 - HB3   GLU-  79  12.53 +/- 0.51   0.012% *  0.3246% (0.42   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB2   GLN   90  15.55 +/- 1.07   0.003% *  0.5358% (0.69   0.02   0.02) =   0.000%
          HA1   GLY   51 - HB3   GLU-  79  16.79 +/- 0.90   0.002% *  0.3878% (0.50   0.02   0.02) =   0.000%
          HA    ALA   57 - HB3   GLU-  79  16.35 +/- 0.63   0.002% *  0.2531% (0.33   0.02   0.02) =   0.000%
          HA    ILE  103 - HB2   GLN   90  18.78 +/- 0.71   0.001% *  0.5540% (0.72   0.02   0.02) =   0.000%
          HA    ALA   57 - HB2   GLN   90  18.00 +/- 0.75   0.001% *  0.3497% (0.45   0.02   0.02) =   0.000%
          HA    ILE  103 - HB3   GLU-  79  20.93 +/- 0.70   0.001% *  0.4009% (0.52   0.02   0.02) =   0.000%
          HA    MET   11 - HB3   GLU-  79  26.13 +/- 4.51   0.000% *  0.3071% (0.40   0.02   0.02) =   0.000%
          HA    THR   39 - HB3   GLU-  79  24.04 +/- 0.65   0.000% *  0.4229% (0.55   0.02   0.02) =   0.000%
          HA    THR   39 - HB2   GLN   90  26.98 +/- 0.40   0.000% *  0.5843% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - HB2   GLN   90  35.48 +/- 3.52   0.000% *  0.4243% (0.55   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 0.802, support = 0.02, residual support = 0.02:
          QG2   THR   77 - QG    GLN   90   4.68 +/- 1.26  62.843% * 37.2292% (0.88   0.02   0.02) =  70.737%  kept
          QB    ALA   88 - QG    GLN   90   5.41 +/- 0.89  37.026% * 26.0896% (0.62   0.02   0.02) =  29.207%  kept
          QG2   THR   23 - QG    GLN   90  12.59 +/- 2.13   0.124% * 14.2548% (0.34   0.02   0.02) =   0.053%
          HG2   LYS+  99 - QG    GLN   90  21.17 +/- 0.61   0.005% *  9.4707% (0.22   0.02   0.02) =   0.002%
          HG2   LYS+  38 - QG    GLN   90  24.25 +/- 0.87   0.002% * 12.9557% (0.31   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 12 structures by 0.54 A, eliminated.
    Peak unassigned.
 
    Peak 2995 (1.53, 2.27, 34.07 ppm):
    10 chemical-shift based assignments, quality = 0.409, support = 0.0194, residual support = 0.0194:
          QG    LYS+  81 - QG    GLN   90   6.38 +/- 2.46  83.155% *  3.4351% (0.18   0.02   0.02) =  59.936%  kept
          HB3   LYS+ 111 - QG    GLN   90  13.39 +/- 2.01   7.277% * 17.3580% (0.90   0.02   0.02) =  26.503%  kept
          HD3   LYS+  74 - QG    GLN   90  12.66 +/- 1.70   1.848% * 17.3194% (0.89   0.02   0.02) =   6.714%  kept
          HG2   LYS+ 106 - QG    GLN   90  12.78 +/- 1.54   6.408% *  2.6782% (0.14   0.02   0.02) =   3.601%  kept
          HG    LEU  104 - QG    GLN   90  18.34 +/- 0.87   0.397% * 17.0143% (0.88   0.02   0.02) =   1.416%
          HB3   LYS+ 121 - QG    GLN   90  19.80 +/- 1.41   0.320% * 17.0143% (0.88   0.02   0.02) =   1.143%
          HD2   LYS+ 121 - QG    GLN   90  20.67 +/- 2.13   0.319% *  3.8645% (0.20   0.02   0.02) =   0.259%
          QD    LYS+  66 - QG    GLN   90  22.35 +/- 0.68   0.102% *  9.8273% (0.51   0.02   0.02) =   0.210%
          HG2   LYS+  33 - QG    GLN   90  21.14 +/- 1.51   0.093% *  8.4490% (0.44   0.02   0.02) =   0.165%
          HG2   LYS+  65 - QG    GLN   90  22.22 +/- 1.02   0.081% *  3.0399% (0.16   0.02   0.02) =   0.052%
    Distance limit 3.74 A violated in 16 structures by 2.31 A, eliminated.
    Peak unassigned.
 
    Peak 2996 (2.26, 1.89, 34.43 ppm):
    11 chemical-shift based assignments, quality = 0.726, support = 2.96, residual support = 61.7:
      O   HG3   MET   92 - HB2   MET   92   2.58 +/- 0.18  99.593% * 94.9153% (0.73   2.96  61.72) =  99.997%  kept
        T QG    GLN   90 - HB2   MET   92   7.63 +/- 1.46   0.387% *  0.7079% (0.80   0.02   0.02) =   0.003%
          HB2   ASP-  44 - HB2   MET   92  12.97 +/- 0.51   0.007% *  0.5362% (0.61   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB2   MET   92  16.02 +/- 0.51   0.002% *  0.8821% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB2   MET   92  12.89 +/- 1.05   0.008% *  0.1548% (0.18   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB2   MET   92  18.43 +/- 0.85   0.001% *  0.6419% (0.73   0.02   0.02) =   0.000%
        T HB2   ASP- 105 - HB2   MET   92  16.10 +/- 0.69   0.002% *  0.3016% (0.34   0.02   0.02) =   0.000%
        T QG    GLU-  14 - HB2   MET   92  25.27 +/- 2.21   0.000% *  0.5719% (0.65   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB2   MET   92  25.38 +/- 1.06   0.000% *  0.7384% (0.84   0.02   0.02) =   0.000%
        T QG    GLU-  15 - HB2   MET   92  24.86 +/- 1.07   0.000% *  0.4303% (0.49   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB2   MET   92  27.51 +/- 0.74   0.000% *  0.1196% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.44 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2997 (8.47, 1.89, 34.43 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.65, residual support = 61.7:
      O   HN    MET   92 - HB2   MET   92   2.99 +/- 0.40  99.856% * 98.5249% (0.92   3.65  61.72) =  99.999%  kept
          HN    THR   46 - HB2   MET   92   9.77 +/- 0.63   0.093% *  0.5829% (1.00   0.02   0.02) =   0.001%
          HN    LYS+ 112 - HB2   MET   92  11.46 +/- 0.60   0.047% *  0.1624% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB2   MET   92  16.96 +/- 0.60   0.004% *  0.4678% (0.80   0.02   0.02) =   0.000%
          HN    MET   11 - HB2   MET   92  36.77 +/- 3.48   0.000% *  0.2619% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 2998 (4.89, 1.89, 34.43 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 3.87, residual support = 61.7:
      O T HA    MET   92 - HB2   MET   92   2.91 +/- 0.14  99.999% * 98.9770% (0.61   3.87  61.72) = 100.000%  kept
          HA    HIS  122 - HB2   MET   92  22.83 +/- 0.32   0.000% *  0.6760% (0.80   0.02   0.02) =   0.000%
          HA    VAL   41 - HB2   MET   92  20.74 +/- 0.23   0.001% *  0.3471% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 3.25, residual support = 61.7:
      O   HG3   MET   92 - HB3   MET   92   2.90 +/- 0.26  99.592% * 95.3515% (0.73   3.25  61.72) =  99.997%  kept
          QG    GLN   90 - HB3   MET   92   8.32 +/- 1.19   0.349% *  0.6472% (0.80   0.02   0.02) =   0.002%
          HB2   ASP-  44 - HB3   MET   92  11.71 +/- 0.56   0.024% *  0.4902% (0.61   0.02   0.02) =   0.000%
          HG12  ILE  119 - HB3   MET   92  14.55 +/- 0.55   0.007% *  0.8064% (1.00   0.02   0.02) =   0.000%
          HB3   ASP-  76 - HB3   MET   92  12.54 +/- 1.35   0.017% *  0.1415% (0.18   0.02   0.02) =   0.000%
          HB2   ASP- 105 - HB3   MET   92  14.99 +/- 0.97   0.007% *  0.2757% (0.34   0.02   0.02) =   0.000%
          HB3   PHE   72 - HB3   MET   92  17.11 +/- 0.81   0.003% *  0.5869% (0.73   0.02   0.02) =   0.000%
          HB2   GLU-  29 - HB3   MET   92  24.72 +/- 1.23   0.000% *  0.6751% (0.84   0.02   0.02) =   0.000%
          QG    GLU-  14 - HB3   MET   92  24.23 +/- 2.21   0.000% *  0.5228% (0.65   0.02   0.02) =   0.000%
          QG    GLU-  15 - HB3   MET   92  23.72 +/- 1.12   0.000% *  0.3934% (0.49   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HB3   MET   92  26.53 +/- 0.77   0.000% *  0.1094% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 4.18, residual support = 61.7:
      O T HA    MET   92 - HB3   MET   92   2.85 +/- 0.07  99.998% * 99.0528% (0.61   4.18  61.72) = 100.000%  kept
          HA    HIS  122 - HB3   MET   92  21.47 +/- 0.51   0.001% *  0.6259% (0.80   0.02   0.02) =   0.000%
          HA    VAL   41 - HB3   MET   92  19.60 +/- 0.20   0.001% *  0.3213% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.75 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3001 (4.89, 2.31, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.607, support = 2.49, residual support = 61.7:
      O T HA    MET   92 - HG2   MET   92   2.55 +/- 0.32  99.999% * 98.4188% (0.61   2.49  61.72) = 100.000%  kept
          HA    HIS  122 - HG2   MET   92  23.09 +/- 0.98   0.000% *  1.0448% (0.80   0.02   0.02) =   0.000%
          HA    VAL   41 - HG2   MET   92  21.33 +/- 0.48   0.000% *  0.5364% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 0.332, support = 0.0198, residual support = 2.3:
          HB2   SER   37 - QG2   THR   39   4.44 +/- 0.65  92.492% * 10.7941% (0.30   0.02   2.67) =  86.241%  kept
          HA1   GLY   16 - QG2   THR   39   7.77 +/- 1.35   6.845% * 21.7367% (0.60   0.02   0.02) =  12.852%  kept
          HA    LYS+  66 - QG2   THR   39  10.80 +/- 0.35   0.595% * 16.6488% (0.46   0.02   0.02) =   0.856%
          HA1   GLY   16 - QG2   THR   23  18.98 +/- 0.40   0.020% * 12.1974% (0.33   0.02   0.02) =   0.021%
          HB2   SER   37 - QG2   THR   23  18.74 +/- 0.75   0.025% *  6.0571% (0.17   0.02   0.02) =   0.013%
          HA1   GLY   16 - QB    ALA   91  22.86 +/- 0.89   0.007% * 10.2645% (0.28   0.02   0.02) =   0.006%
          HA    LYS+  66 - QB    ALA   91  22.74 +/- 0.99   0.007% *  7.8619% (0.22   0.02   0.02) =   0.005%
          HA    LYS+  66 - QG2   THR   23  23.68 +/- 0.37   0.005% *  9.3424% (0.26   0.02   0.02) =   0.004%
          HB2   SER   37 - QB    ALA   91  24.53 +/- 0.80   0.004% *  5.0972% (0.14   0.02   0.02) =   0.002%
    Distance limit 3.42 A violated in 19 structures by 0.96 A, eliminated.
    Peak unassigned.
 
    Peak 3003 (8.45, 1.69, 34.43 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.96, residual support = 61.7:
      O   HN    MET   92 - HB3   MET   92   3.91 +/- 0.21  99.082% * 99.2646% (0.92   3.96  61.72) =  99.997%  kept
          HN    THR   46 - HB3   MET   92   9.02 +/- 0.93   0.737% *  0.4148% (0.76   0.02   0.02) =   0.003%
          HN    ASP- 113 - HB3   MET   92  11.85 +/- 1.03   0.159% *  0.1354% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  74 - HB3   MET   92  15.95 +/- 0.79   0.022% *  0.1852% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 0.74, support = 0.0195, residual support = 0.0195:
          HA    THR   46 - HB3   MET   92   6.84 +/- 1.10  72.383% * 16.4223% (0.80   0.02   0.02) =  90.965%  kept
          HA    GLN   90 - HB3   MET   92   8.58 +/- 0.32  23.428% *  3.5917% (0.18   0.02   0.02) =   6.439%  kept
          HA    PHE   55 - HB3   MET   92  11.98 +/- 0.74   2.747% *  6.3300% (0.31   0.02   0.02) =   1.331%
          HA    VAL   42 - HB3   MET   92  15.64 +/- 0.22   0.605% * 18.3930% (0.90   0.02   0.02) =   0.852%
          HA    PRO   58 - HB3   MET   92  15.36 +/- 0.64   0.613% *  5.1139% (0.25   0.02   0.02) =   0.240%
          HA    GLN   17 - HB3   MET   92  21.34 +/- 0.87   0.086% * 17.7900% (0.87   0.02   0.02) =   0.117%
          HA    LEU   40 - HB3   MET   92  21.90 +/- 0.32   0.081% *  3.1644% (0.15   0.02   0.02) =   0.020%
          HA    SER   37 - HB3   MET   92  29.78 +/- 0.36   0.012% * 17.7900% (0.87   0.02   0.02) =   0.017%
          HA    GLU-  15 - HB3   MET   92  25.02 +/- 0.68   0.034% *  5.7022% (0.28   0.02   0.02) =   0.015%
          HA    SER   13 - HB3   MET   92  30.33 +/- 2.35   0.010% *  5.7022% (0.28   0.02   0.02) =   0.005%
    Distance limit 4.22 A violated in 18 structures by 2.29 A, eliminated.
    Peak unassigned.
 
    Peak 3005 (4.91, 2.24, 33.13 ppm):
    3 chemical-shift based assignments, quality = 0.991, support = 3.97, residual support = 61.7:
      O T HA    MET   92 - HG3   MET   92   2.73 +/- 0.52  99.989% * 99.5972% (0.99   3.97  61.72) = 100.000%  kept
          HA    LYS+  74 - HG3   MET   92  14.78 +/- 1.00   0.010% *  0.2465% (0.49   0.02   0.02) =   0.000%
          HA    HIS  122 - HG3   MET   92  24.06 +/- 0.50   0.000% *  0.1563% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3006 (8.45, 2.24, 33.13 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 3.74, residual support = 61.7:
          HN    MET   92 - HG3   MET   92   3.44 +/- 0.35  99.517% * 99.2221% (0.92   3.74  61.72) =  99.998%  kept
          HN    THR   46 - HG3   MET   92  10.19 +/- 1.08   0.440% *  0.4388% (0.76   0.02   0.02) =   0.002%
          HN    ASP- 113 - HG3   MET   92  13.27 +/- 1.28   0.034% *  0.1432% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  74 - HG3   MET   92  17.58 +/- 1.09   0.010% *  0.1959% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 0.407, support = 0.0198, residual support = 0.0198:
          QD    PHE   45 - HB2   PRO   93   7.32 +/- 0.37  93.735% * 67.4545% (0.41   0.02   0.02) =  99.108%  kept
          HN    LYS+  65 - HB2   PRO   93  14.95 +/- 0.26   1.333% * 25.3164% (0.15   0.02   0.02) =   0.529%
          QD    PHE   45 - HG3   GLN   30  12.46 +/- 0.60   4.090% *  5.2564% (0.03   0.02   0.02) =   0.337%
          HN    LYS+  65 - HG3   GLN   30  16.18 +/- 0.70   0.842% *  1.9728% (0.01   0.02   0.02) =   0.026%
    Distance limit 4.31 A violated in 20 structures by 3.01 A, eliminated.
    Peak unassigned.
 
    Peak 3008 (8.03, 2.06, 34.10 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 4.32, residual support = 15.4:
      O   HN    THR   94 - HB2   PRO   93   3.93 +/- 0.11  99.748% * 99.4499% (1.00   4.32  15.43) =  99.999%  kept
          HN    GLU-  79 - HB2   PRO   93  11.74 +/- 0.68   0.152% *  0.3348% (0.73   0.02   0.02) =   0.001%
          HN    SER   85 - HB2   PRO   93  14.42 +/- 0.56   0.043% *  0.1423% (0.31   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG3   GLN   30  15.40 +/- 0.63   0.029% *  0.0261% (0.06   0.02   0.02) =   0.000%
          HN    THR   94 - HG3   GLN   30  17.43 +/- 0.73   0.014% *  0.0358% (0.08   0.02   0.02) =   0.000%
          HN    SER   85 - HG3   GLN   30  17.40 +/- 0.88   0.014% *  0.0111% (0.02   0.02   0.02) =   0.000%
    Distance limit 4.32 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 = 0.407, support = 0.0198, residual support = 0.0198:
          QD    PHE   45 - HG2   PRO   93   8.99 +/- 0.18  97.208% * 72.7108% (0.41   0.02   0.02) =  98.934%  kept
          HN    LYS+  65 - HG2   PRO   93  16.30 +/- 0.64   2.792% * 27.2892% (0.15   0.02   0.02) =   1.066%
    Distance limit 4.15 A violated in 20 structures by 4.84 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 = 128.8:
      O   HB2   PRO   93 - HG3   PRO   93   2.31 +/- 0.00  99.927% * 97.5185% (0.84   5.30 128.77) = 100.000%  kept
          HB2   ARG+  54 - HG3   PRO   93   8.23 +/- 0.52   0.054% *  0.4394% (1.00   0.02   0.02) =   0.000%
          HB    VAL  108 - HG3   PRO   93   9.92 +/- 0.62   0.017% *  0.4394% (1.00   0.02   0.02) =   0.000%
          HB    ILE  119 - HG3   PRO   93  14.61 +/- 0.55   0.002% *  0.3950% (0.90   0.02   0.02) =   0.000%
          HB2   GLN   30 - HG3   PRO   93  20.86 +/- 0.61   0.000% *  0.3950% (0.90   0.02   0.02) =   0.000%
        T HG3   GLN   30 - HG3   PRO   93  21.40 +/- 0.99   0.000% *  0.2671% (0.61   0.02   0.02) =   0.000%
          HB3   GLU- 100 - HG3   PRO   93  27.60 +/- 0.40   0.000% *  0.3679% (0.84   0.02   0.02) =   0.000%
          HB3   PRO   68 - HG3   PRO   93  23.85 +/- 0.83   0.000% *  0.1098% (0.25   0.02   0.02) =   0.000%
          HG2   MET   11 - HG3   PRO   93  32.76 +/- 2.63   0.000% *  0.0680% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.64 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 = 128.8:
      O T HG2   PRO   93 - HG3   PRO   93   1.75 +/- 0.00  99.029% * 97.1713% (0.99   3.97 128.77) =  99.998%  kept
          HB3   PRO   52 - HG3   PRO   93   3.83 +/- 0.24   0.970% *  0.1854% (0.38   0.02   3.57) =   0.002%
        T QB    LYS+  65 - HG3   PRO   93  15.90 +/- 0.43   0.000% *  0.3776% (0.76   0.02   0.02) =   0.000%
          QB    LYS+  66 - HG3   PRO   93  16.55 +/- 0.60   0.000% *  0.4674% (0.95   0.02   0.02) =   0.000%
        T HB    VAL   41 - HG3   PRO   93  19.21 +/- 0.62   0.000% *  0.3957% (0.80   0.02   0.02) =   0.000%
          HG12  ILE  103 - HG3   PRO   93  18.60 +/- 0.46   0.000% *  0.3196% (0.65   0.02   0.02) =   0.000%
          HB2   LEU   71 - HG3   PRO   93  20.82 +/- 0.82   0.000% *  0.3588% (0.73   0.02   0.02) =   0.000%
        T QB    LYS+ 102 - HG3   PRO   93  21.50 +/- 0.44   0.000% *  0.4286% (0.87   0.02   0.02) =   0.000%
        T HG    LEU  123 - HG3   PRO   93  19.39 +/- 0.56   0.000% *  0.1854% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   PRO   93  19.98 +/- 0.86   0.000% *  0.1100% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.84 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 = 128.8:
      O T HG3   PRO   93 - HG2   PRO   93   1.75 +/- 0.00  99.505% * 96.5274% (0.95   3.97 128.77) =  99.998%  kept
          HB3   MET   92 - HG2   PRO   93   4.32 +/- 0.31   0.487% *  0.4748% (0.92   0.02   1.60) =   0.002%
        T HD2   LYS+ 111 - HG2   PRO   93   8.82 +/- 0.59   0.007% *  0.5041% (0.98   0.02   0.02) =   0.000%
          QD    LYS+ 106 - HG2   PRO   93  13.16 +/- 0.51   0.001% *  0.3119% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG2   PRO   93  15.46 +/- 0.51   0.000% *  0.4118% (0.80   0.02   0.02) =   0.000%
          HB2   LEU  123 - HG2   PRO   93  19.72 +/- 0.51   0.000% *  0.4963% (0.97   0.02   0.02) =   0.000%
          HB    VAL   83 - HG2   PRO   93  17.21 +/- 0.47   0.000% *  0.1430% (0.28   0.02   0.02) =   0.000%
          HB2   LYS+ 121 - HG2   PRO   93  16.57 +/- 0.51   0.000% *  0.1018% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  99 - HG2   PRO   93  19.91 +/- 0.51   0.000% *  0.2912% (0.57   0.02   0.02) =   0.000%
        T QD    LYS+  65 - HG2   PRO   93  17.27 +/- 0.95   0.000% *  0.1145% (0.22   0.02   0.02) =   0.000%
        T QD    LYS+ 102 - HG2   PRO   93  22.01 +/- 0.60   0.000% *  0.4118% (0.80   0.02   0.02) =   0.000%
        T QD    LYS+  38 - HG2   PRO   93  26.78 +/- 0.35   0.000% *  0.2114% (0.41   0.02   0.02) =   0.000%
    Distance limit 2.86 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 = 128.8:
      O   HD3   PRO   93 - HG3   PRO   93   2.30 +/- 0.00  96.636% * 97.7036% (0.97   3.97 128.77) =  99.984%  kept
          HB3   CYS   53 - HG3   PRO   93   4.44 +/- 0.65   2.754% *  0.4262% (0.84   0.02   0.02) =   0.012%
          QB    PHE   55 - HG3   PRO   93   5.68 +/- 0.81   0.549% *  0.5091% (1.00   0.02   0.02) =   0.003%
          HB2   PHE   59 - HG3   PRO   93   8.44 +/- 0.61   0.044% *  0.4710% (0.92   0.02   0.02) =   0.000%
          HD2   ARG+  54 - HG3   PRO   93   9.89 +/- 0.68   0.017% *  0.3899% (0.76   0.02   0.02) =   0.000%
          HD3   PRO   68 - HG3   PRO   93  21.50 +/- 0.90   0.000% *  0.5001% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 128.8:
      O   HD2   PRO   93 - HG3   PRO   93   2.87 +/- 0.00  99.963% * 97.2575% (0.25   3.97 128.77) =  99.999%  kept
          HA    THR   77 - HG3   PRO   93  10.86 +/- 0.43   0.035% *  1.8147% (0.92   0.02   0.02) =   0.001%
          HB2   TRP   27 - HG3   PRO   93  19.09 +/- 0.54   0.001% *  0.4902% (0.25   0.02   0.02) =   0.000%
          HA    LEU   31 - HG3   PRO   93  21.85 +/- 0.49   0.001% *  0.4377% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.76 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  16.33 +/- 0.51 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.19 A violated in 20 structures by 12.14 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 = 6.67:
          HN    ALA  110 - HD2   PRO   93   2.66 +/- 0.48  99.808% * 99.2028% (0.71   2.96   6.67) =  99.999%  kept
          HN    PHE   45 - HD2   PRO   93   8.37 +/- 0.18   0.174% *  0.5718% (0.61   0.02   0.02) =   0.001%
          HN    ASP-  44 - HD2   PRO   93  12.17 +/- 0.30   0.017% *  0.1056% (0.11   0.02   0.02) =   0.000%
          HN    GLU-  25 - HD2   PRO   93  22.76 +/- 0.43   0.000% *  0.1199% (0.13   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3019 (4.60, 3.58, 50.24 ppm):
    6 chemical-shift based assignments, quality = 0.382, support = 0.987, residual support = 0.987:
          HA1   GLY  109 - HD2   PRO   93   2.63 +/- 0.63  99.333% * 88.9853% (0.38   0.99   0.99) =  99.987%  kept
          HA    CYS   50 - HD2   PRO   93   7.09 +/- 0.38   0.627% *  1.6681% (0.35   0.02   0.02) =   0.012%
          HA    TRP   49 - HD2   PRO   93  11.52 +/- 0.43   0.034% *  2.3541% (0.50   0.02   0.02) =   0.001%
          HA    CYS   21 - HD2   PRO   93  18.87 +/- 0.42   0.002% *  2.9728% (0.63   0.02   0.02) =   0.000%
          HA    ALA   20 - HD2   PRO   93  16.55 +/- 0.49   0.004% *  0.6002% (0.13   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD2   PRO   93  22.22 +/- 0.17   0.001% *  3.4195% (0.72   0.02   0.02) =   0.000%
    Distance limit 4.21 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 = 6.67:
          QB    ALA  110 - HD2   PRO   93   3.15 +/- 0.58  99.762% * 93.8304% (0.69   2.31   6.67) =  99.999%  kept
          QB    ALA   61 - HD2   PRO   93  12.68 +/- 0.32   0.032% *  0.8566% (0.72   0.02   0.02) =   0.000%
          HB3   LEU  115 - HD2   PRO   93   9.70 +/- 0.55   0.160% *  0.1504% (0.13   0.02   0.02) =   0.000%
          HG    LEU   80 - HD2   PRO   93  16.52 +/- 1.04   0.008% *  0.8285% (0.70   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD2   PRO   93  14.62 +/- 0.47   0.014% *  0.2650% (0.22   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD2   PRO   93  17.87 +/- 0.72   0.004% *  0.6874% (0.58   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD2   PRO   93  16.92 +/- 0.73   0.007% *  0.4179% (0.35   0.02   0.02) =   0.000%
          HG    LEU   73 - HD2   PRO   93  17.89 +/- 0.35   0.004% *  0.5207% (0.44   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD2   PRO   93  20.61 +/- 0.50   0.002% *  0.8121% (0.69   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD2   PRO   93  21.49 +/- 0.39   0.001% *  0.7699% (0.65   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD2   PRO   93  19.35 +/- 1.35   0.003% *  0.2928% (0.25   0.02   0.02) =   0.000%
          HG    LEU   40 - HD2   PRO   93  19.94 +/- 0.87   0.002% *  0.1504% (0.13   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - HD2   PRO   93  24.99 +/- 0.78   0.001% *  0.4179% (0.35   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3021 (1.42, 3.34, 50.24 ppm):
    24 chemical-shift based assignments, quality = 0.695, support = 1.06, residual support = 7.99:
          QB    ALA  110 - HD3   PRO   93   3.59 +/- 0.33  71.970% * 58.8018% (0.78   0.75   6.67) =  88.190%  kept
          HB3   LEU   67 - HD3   PRO   68   4.53 +/- 0.35  21.212% * 26.6767% (0.08   3.41  17.82) =  11.792%  kept
          QG    LYS+  66 - HD3   PRO   68   5.66 +/- 0.64   6.442% *  0.0993% (0.05   0.02   0.02) =   0.013%
          QB    ALA   61 - HD3   PRO   93  12.37 +/- 0.22   0.045% *  1.1694% (0.58   0.02   0.02) =   0.001%
          QB    ALA   61 - HD3   PRO   68  10.06 +/- 0.63   0.162% *  0.2081% (0.10   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HD3   PRO   93  13.88 +/- 0.47   0.023% *  1.4475% (0.72   0.02   0.02) =   0.001%
          HG    LEU   80 - HD3   PRO   93  15.80 +/- 1.03   0.012% *  1.5099% (0.75   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   PRO   93  16.36 +/- 0.62   0.009% *  1.7100% (0.85   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD3   PRO   68  14.43 +/- 1.69   0.023% *  0.2687% (0.13   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD3   PRO   68  14.54 +/- 0.57   0.018% *  0.2970% (0.15   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   93  17.83 +/- 0.19   0.005% *  0.9511% (0.47   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HD3   PRO   93  20.64 +/- 1.27   0.002% *  1.5099% (0.75   0.02   0.02) =   0.000%
          HG12  ILE   19 - HD3   PRO   93  21.00 +/- 0.42   0.002% *  1.6687% (0.83   0.02   0.02) =   0.000%
          QB    LEU   98 - HD3   PRO   68  14.82 +/- 0.97   0.016% *  0.1693% (0.08   0.02   0.02) =   0.000%
          QG    LYS+  66 - HD3   PRO   93  18.15 +/- 0.64   0.005% *  0.5579% (0.28   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HD3   PRO   68  16.14 +/- 0.71   0.009% *  0.2576% (0.13   0.02   0.02) =   0.000%
          HB3   LEU   67 - HD3   PRO   93  20.92 +/- 0.46   0.002% *  0.8799% (0.44   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   93  17.80 +/- 0.33   0.005% *  0.3166% (0.16   0.02   0.02) =   0.000%
          QB    ALA  110 - HD3   PRO   68  17.95 +/- 0.80   0.005% *  0.2791% (0.14   0.02   0.02) =   0.000%
          HG    LEU   73 - HD3   PRO   68  13.88 +/- 0.46   0.023% *  0.0563% (0.03   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   68  16.61 +/- 1.13   0.008% *  0.0894% (0.04   0.02   0.02) =   0.000%
          QB    ALA   12 - HD3   PRO   93  26.38 +/- 2.53   0.001% *  0.5026% (0.25   0.02   0.02) =   0.000%
          HG    LEU   80 - HD3   PRO   68  24.20 +/- 1.04   0.001% *  0.2687% (0.13   0.02   0.02) =   0.000%
          HB2   LEU   80 - HD3   PRO   68  25.40 +/- 1.04   0.001% *  0.3043% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.76 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3022 (0.65, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.285, support = 2.0, residual support = 5.5:
          QG2   ILE   89 - HB    THR   94   2.27 +/- 0.24 100.000% *100.0000% (0.28   2.00   5.50) = 100.000%  kept
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3023 (0.10, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.771, support = 2.0, residual support = 5.5:
          QD1   ILE   89 - HB    THR   94   2.18 +/- 0.20  99.969% * 98.9959% (0.77   2.00   5.50) = 100.000%  kept
          QG2   VAL   83 - HB    THR   94   8.82 +/- 0.42   0.026% *  0.7366% (0.57   0.02   0.02) =   0.000%
          QD2   LEU   31 - HB    THR   94  11.52 +/- 0.26   0.005% *  0.2674% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3024 (3.06, 3.95, 72.97 ppm):
    3 chemical-shift based assignments, quality = 0.806, support = 2.96, residual support = 27.1:
        T HB2   PHE   45 - HB    THR   94   2.96 +/- 0.30  99.948% * 98.9433% (0.81   2.96  27.12) = 100.000%  kept
          QE    LYS+ 111 - HB    THR   94  11.62 +/- 0.47   0.032% *  0.6919% (0.83   0.02   0.02) =   0.000%
          HB2   CYS   21 - HB    THR   94  12.43 +/- 0.38   0.020% *  0.3648% (0.44   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3025 (5.59, 3.95, 72.97 ppm):
    1 chemical-shift based assignment, quality = 0.146, support = 0.02, residual support = 0.02:
          HA    LEU   73 - HB    THR   94  12.92 +/- 0.27 100.000% *100.0000% (0.15   0.02   0.02) = 100.000%  kept
    Distance limit 2.98 A violated in 20 structures by 9.94 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 +/- 0.14  99.936% * 99.3309% (0.83   3.08  25.27) = 100.000%  kept
          HN    GLU-  79 - HB    THR   94  11.35 +/- 0.38   0.019% *  0.4695% (0.61   0.02   0.02) =   0.000%
          HN    SER   85 - HB    THR   94   9.93 +/- 0.54   0.044% *  0.1996% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 27.1:
          HN    PHE   45 - HB    THR   94   4.01 +/- 0.25  98.366% * 99.4994% (0.81   3.30  27.12) =  99.992%  kept
          HN    ALA  110 - HB    THR   94   8.11 +/- 0.49   1.634% *  0.5006% (0.67   0.02   0.02) =   0.008%
    Distance limit 4.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3028 (5.61, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.411, support = 0.02, residual support = 0.02:
          HA    LYS+ 106 - QG2   THR   94   4.59 +/- 0.21 100.000% *100.0000% (0.41   0.02   0.02) = 100.000%  kept
    Distance limit 3.49 A violated in 20 structures by 1.10 A, eliminated.
    Peak unassigned.
 
    Peak 3030 (9.88, 1.19, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.965, support = 3.98, residual support = 14.1:
          HN    PHE   95 - QG2   THR   94   2.43 +/- 0.19 100.000% *100.0000% (0.97   3.98  14.14) = 100.000%  kept
    Distance limit 3.18 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 = 0.626, support = 0.0199, residual support = 0.0199:
          HA    TRP   87 - HA    PHE   95  10.42 +/- 0.40  31.714% * 25.3593% (0.76   0.02   0.02) =  49.606%  kept
          HA    PHE   59 - HA    PHE   95   9.58 +/- 0.27  51.561% *  8.2742% (0.25   0.02   0.02) =  26.314%  kept
          HA    LEU  104 - HA    PHE   95  12.25 +/- 0.13  11.854% * 27.7167% (0.84   0.02   0.02) =  20.265%  kept
          HA    ASP-  86 - HA    PHE   95  14.59 +/- 0.41   4.148% * 12.4539% (0.38   0.02   0.02) =   3.186%  kept
          HA    GLU-  14 - HA    PHE   95  20.75 +/- 1.49   0.569% * 14.8769% (0.45   0.02   0.02) =   0.522%
          HA    ALA   12 - HA    PHE   95  25.81 +/- 1.91   0.154% * 11.3190% (0.34   0.02   0.02) =   0.107%
    Distance limit 3.52 A violated in 20 structures by 5.06 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   2.09 +/- 0.19  99.994% * 99.8140% (0.87   3.44  73.52) = 100.000%  kept
          HN    ALA   47 - HA    PHE   95  10.83 +/- 0.17   0.006% *  0.1860% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.67 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   2.20 +/- 0.01  99.995% * 99.8764% (0.80   4.00  11.99) = 100.000%  kept
          HN    PHE   72 - HA    PHE   95  11.46 +/- 0.16   0.005% *  0.1236% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.85 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 +/- 0.00 100.000% *100.0000% (0.53   4.33  73.52) = 100.000%  kept
    Distance limit 3.77 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   2.31 +/- 0.02  99.996% * 99.7868% (0.87   3.00  73.52) = 100.000%  kept
          HN    ALA   47 - HB2   PHE   95  12.59 +/- 0.27   0.004% *  0.2132% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.40 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   2.73 +/- 0.06  99.990% * 99.8068% (0.87   3.31  73.52) = 100.000%  kept
          HN    ALA   47 - HB3   PHE   95  12.80 +/- 0.22   0.010% *  0.1932% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.27 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   3.56 +/- 0.04 100.000% *100.0000% (0.53   4.20  73.52) = 100.000%  kept
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3038 (9.89, 3.20, 40.96 ppm):
    1 chemical-shift based assignment, quality = 0.526, support = 3.86, residual support = 73.5:
      O   HN    PHE   95 - HB2   PHE   95   2.33 +/- 0.06 100.000% *100.0000% (0.53   3.86  73.52) = 100.000%  kept
    Distance limit 3.55 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 = 0.812, support = 0.0198, residual support = 39.1:
          QG2   VAL  107 - HB3   PHE   95   4.36 +/- 0.16  91.817% * 21.5607% (0.84   0.02  40.89) =  95.585%  kept
          HG13  ILE  119 - HB3   PHE   95   6.94 +/- 0.55   6.293% * 10.6120% (0.41   0.02   0.02) =   3.225%  kept
          HG13  ILE  103 - HB3   PHE   95   8.80 +/- 0.43   1.429% *  9.6879% (0.38   0.02   0.02) =   0.668%
          HG2   LYS+ 121 - HB3   PHE   95  11.41 +/- 0.61   0.317% * 25.3018% (0.98   0.02   0.02) =   0.387%
          QB    ALA   20 - HB3   PHE   95  13.59 +/- 0.26   0.103% * 23.1498% (0.90   0.02   0.02) =   0.115%
          HB3   LEU   31 - HB3   PHE   95  15.88 +/- 0.34   0.041% *  9.6879% (0.38   0.02   0.02) =   0.019%
    Distance limit 3.94 A violated in 15 structures by 0.37 A, eliminated.
    Peak unassigned.
 
    Peak 3040 (0.60, 2.54, 40.96 ppm):
    7 chemical-shift based assignments, quality = 0.581, support = 0.861, residual support = 2.26:
          QD1   LEU   63 - HB3   PHE   95   3.97 +/- 0.16  93.204% * 45.7804% (0.57   0.88   2.08) =  95.415%  kept
          QD2   LEU  115 - HB3   PHE   95   6.81 +/- 0.53   4.231% * 47.9915% (0.90   0.58   6.01) =   4.540%  kept
          QD1   LEU  104 - HB3   PHE   95   9.33 +/- 0.45   0.598% *  1.8483% (1.00   0.02   0.02) =   0.025%
          QG2   ILE   89 - HB3   PHE   95   7.88 +/- 0.17   1.565% *  0.2852% (0.15   0.02   0.02) =   0.010%
          QD1   LEU   73 - HB3   PHE   95  10.43 +/- 0.39   0.293% *  1.0464% (0.57   0.02   0.02) =   0.007%
          QD2   LEU   80 - HB3   PHE   95  13.64 +/- 0.72   0.060% *  1.7062% (0.92   0.02   0.02) =   0.002%
          QG1   VAL   83 - HB3   PHE   95  14.25 +/- 0.65   0.049% *  1.3421% (0.73   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 7 structures by 0.24 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   3.58 +/- 0.14  99.295% * 93.8162% (0.65   0.75   1.50) =  99.985%  kept
          QB    ALA   64 - HB3   PHE   95   8.70 +/- 0.37   0.515% *  2.0347% (0.53   0.02   0.02) =   0.011%
          QB    ALA   47 - HB3   PHE   95  12.01 +/- 0.30   0.073% *  2.9555% (0.76   0.02   0.02) =   0.002%
          HG2   LYS+ 112 - HB3   PHE   95  11.14 +/- 0.67   0.118% *  1.1936% (0.31   0.02   0.02) =   0.002%
    Distance limit 3.71 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 = 40.9:
          QG2   VAL  107 - HB2   PHE   95   3.07 +/- 0.20  99.338% * 92.3278% (0.34   2.63  40.89) =  99.988%  kept
          HG13  ILE  119 - HB2   PHE   95   7.48 +/- 0.48   0.552% *  1.8449% (0.90   0.02   0.02) =   0.011%
          HG2   LYS+ 121 - HB2   PHE   95  11.39 +/- 0.68   0.046% *  1.1647% (0.57   0.02   0.02) =   0.001%
          HD3   LYS+ 112 - HB2   PHE   95  11.32 +/- 1.03   0.047% *  0.5720% (0.28   0.02   0.02) =   0.000%
          QB    ALA   20 - HB2   PHE   95  14.50 +/- 0.27   0.010% *  1.8990% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB2   PHE   95  17.07 +/- 0.32   0.004% *  1.7845% (0.87   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB2   PHE   95  16.61 +/- 1.00   0.005% *  0.4071% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.86 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 = 40.9:
        T HB    VAL  107 - HB2   PHE   95   1.74 +/- 0.05  99.992% * 98.5506% (0.80   4.31  40.89) = 100.000%  kept
          QE    LYS+ 112 - HB2   PHE   95   9.56 +/- 0.47   0.004% *  0.2143% (0.38   0.02   0.02) =   0.000%
          HB3   PHE   45 - HB2   PHE   95   9.53 +/- 0.20   0.004% *  0.2143% (0.38   0.02   1.89) =   0.000%
          QG    GLU-  79 - HB2   PHE   95  17.18 +/- 0.80   0.000% *  0.3923% (0.69   0.02   0.02) =   0.000%
          QG    GLN   32 - HB2   PHE   95  20.33 +/- 0.85   0.000% *  0.5403% (0.95   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HB2   PHE   95  17.99 +/- 0.64   0.000% *  0.0881% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3044 (0.10, 1.19, 21.81 ppm):
    3 chemical-shift based assignments, quality = 0.923, support = 0.75, residual support = 5.5:
          QD1   ILE   89 - QG2   THR   94   2.06 +/- 0.23  99.957% * 97.3666% (0.92   0.75   5.50) =  99.999%  kept
          QG2   VAL   83 - QG2   THR   94   7.98 +/- 0.33   0.034% *  1.9321% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   31 - QG2   THR   94   9.90 +/- 0.23   0.009% *  0.7014% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.11 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3045 (5.63, 5.31, 54.03 ppm):
    1 chemical-shift based assignment, quality = 0.972, support = 1.15, residual support = 2.3:
        T HA    LYS+ 106 - HA    MET   96   3.11 +/- 0.12 100.000% *100.0000% (0.97   1.15   2.30) = 100.000%  kept
    Distance limit 3.34 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 = 46.1:
      O   HN    PHE   97 - HA    MET   96   2.22 +/- 0.01  99.993% * 99.5705% (0.88   6.07  46.12) = 100.000%  kept
          HN    LEU  115 - HA    MET   96  11.41 +/- 0.38   0.006% *  0.3278% (0.88   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    MET   96  14.91 +/- 0.30   0.001% *  0.1016% (0.27   0.02   0.02) =   0.000%
    Distance limit 2.82 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   2.91 +/- 0.00 100.000% *100.0000% (0.63   4.09 115.55) = 100.000%  kept
    Distance limit 3.74 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 = 1.96, residual support = 9.71:
        T QE    PHE   45 - HB2   MET   96   3.70 +/- 0.03  99.167% * 97.0486% (0.49   1.96   9.71) =  99.988%  kept
          QD    PHE   72 - HB2   MET   96   8.62 +/- 0.43   0.664% *  1.3971% (0.69   0.02   0.02) =   0.010%
        T HZ    PHE   72 - HB2   MET   96  10.86 +/- 0.68   0.169% *  1.5543% (0.76   0.02   0.02) =   0.003%
    Distance limit 3.81 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 = 46.1:
          HN    PHE   97 - HB2   MET   96   4.07 +/- 0.07  99.840% * 99.4519% (0.92   6.07  46.12) = 100.000%  kept
          HN    LEU  115 - HB2   MET   96  13.78 +/- 0.36   0.068% *  0.3274% (0.92   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   MET   96  13.10 +/- 0.35   0.091% *  0.0480% (0.14   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   MET   96  25.77 +/- 2.95   0.002% *  0.1727% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3050 (9.31, 2.21, 36.87 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 4.07, residual support = 115.5:
      O   HN    MET   96 - HB2   MET   96   2.75 +/- 0.10 100.000% *100.0000% (0.65   4.07 115.55) = 100.000%  kept
    Distance limit 3.72 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 = 0.648, support = 0.02, residual support = 0.02:
          HZ    PHE   72 - HB3   MET   96  11.90 +/- 0.69  21.782% * 81.6578% (0.99   0.02   0.02) =  55.352%  kept
          QD    PHE   72 - HB3   MET   96   9.54 +/- 0.38  78.218% * 18.3422% (0.22   0.02   0.02) =  44.648%  kept
    Distance limit 3.66 A violated in 20 structures by 5.50 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   2.57 +/- 0.11 100.000% *100.0000% (0.65   3.97 115.55) = 100.000%  kept
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3053 (0.74, 2.21, 36.87 ppm):
    6 chemical-shift based assignments, quality = 0.726, support = 2.0, residual support = 16.4:
          QG1   VAL   43 - HB2   MET   96   2.32 +/- 0.49  99.522% * 94.5898% (0.73   2.00  16.41) =  99.996%  kept
          QG1   VAL   41 - HB2   MET   96   7.02 +/- 0.58   0.362% *  0.6853% (0.53   0.02   0.02) =   0.003%
          QD2   LEU  104 - HB2   MET   96   9.06 +/- 0.59   0.053% *  1.0431% (0.80   0.02   0.02) =   0.001%
          QG2   VAL   18 - HB2   MET   96  10.38 +/- 0.63   0.030% *  1.2025% (0.92   0.02   0.02) =   0.000%
          QG2   THR   46 - HB2   MET   96  10.51 +/- 0.40   0.024% *  1.2768% (0.98   0.02   0.02) =   0.000%
          QD1   ILE   19 - HB2   MET   96  12.25 +/- 0.25   0.010% *  1.2025% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 0.719, support = 0.02, residual support = 1.94:
          QD1   ILE   89 - HB2   MET   96   4.53 +/- 0.14  89.448% * 27.1168% (0.69   0.02   2.25) =  86.316%  kept
          QD2   LEU   31 - HB2   MET   96   7.13 +/- 0.31   6.113% * 36.4416% (0.92   0.02   0.02) =   7.928%  kept
          QG2   VAL   83 - HB2   MET   96   7.52 +/- 0.31   4.439% * 36.4416% (0.92   0.02   0.02) =   5.756%  kept
    Distance limit 3.91 A violated in 20 structures by 0.54 A, eliminated.
    Peak unassigned.
 
    Peak 3055 (0.10, 1.93, 36.87 ppm):
    2 chemical-shift based assignments, quality = 0.687, support = 0.75, residual support = 2.25:
        T QD1   ILE   89 - HB3   MET   96   3.21 +/- 0.13  99.355% * 98.4291% (0.69   0.75   2.25) =  99.990%  kept
          QG2   VAL   83 - HB3   MET   96   7.51 +/- 0.32   0.645% *  1.5709% (0.41   0.02   0.02) =   0.010%
    Distance limit 3.91 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3056 (8.39, 2.61, 32.67 ppm):
    8 chemical-shift based assignments, quality = 0.923, support = 5.6, residual support = 46.1:
          HN    PHE   97 - HG2   MET   96   4.07 +/- 0.08  99.514% * 99.1286% (0.92   5.60  46.12) =  99.999%  kept
          HN    LEU  115 - HB2   PRO   52  10.63 +/- 0.54   0.328% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    LEU  115 - HG2   MET   96  14.75 +/- 0.45   0.045% *  0.3543% (0.92   0.02   0.02) =   0.000%
          HN    ASN   35 - HG2   MET   96  13.26 +/- 0.68   0.088% *  0.0519% (0.14   0.02   0.02) =   0.000%
          HN    PHE   97 - HB2   PRO   52  16.54 +/- 0.28   0.022% *  0.1041% (0.27   0.02   0.02) =   0.000%
          HN    ALA   12 - HG2   MET   96  27.27 +/- 3.19   0.002% *  0.1868% (0.49   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   PRO   52  32.99 +/- 2.50   0.000% *  0.0549% (0.14   0.02   0.02) =   0.000%
          HN    ASN   35 - HB2   PRO   52  27.26 +/- 0.28   0.001% *  0.0153% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3057 (8.40, 2.47, 32.67 ppm):
    3 chemical-shift based assignments, quality = 0.544, support = 6.04, residual support = 46.1:
          HN    PHE   97 - HG3   MET   96   2.75 +/- 0.22  99.990% * 99.5684% (0.54   6.04  46.12) = 100.000%  kept
          HN    LEU  115 - HG3   MET   96  13.57 +/- 0.47   0.008% *  0.3294% (0.54   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG3   MET   96  17.02 +/- 0.45   0.002% *  0.1021% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 0.315, support = 2.21, residual support = 8.33:
          HG13  ILE  103 - HG2   MET   96   3.65 +/- 0.16  88.946% * 47.8853% (0.25   2.37   9.02) =  91.071%  kept
          QG2   THR   94 - HG2   MET   96   5.57 +/- 0.50   9.136% * 45.6545% (0.99   0.57   1.32) =   8.918%  kept
          QG2   THR   94 - HB2   PRO   52   9.07 +/- 0.12   0.383% *  0.4714% (0.29   0.02   0.02) =   0.004%
          HG3   LYS+ 111 - HB2   PRO   52   7.71 +/- 0.69   1.134% *  0.0734% (0.05   0.02   0.02) =   0.002%
          HB3   LEU   71 - HG2   MET   96  12.67 +/- 1.15   0.061% *  1.2963% (0.80   0.02   0.02) =   0.002%
          HB3   LYS+ 112 - HB2   PRO   52  10.75 +/- 0.77   0.153% *  0.4662% (0.29   0.02   0.02) =   0.002%
          HD2   LYS+ 112 - HB2   PRO   52  10.73 +/- 0.93   0.165% *  0.4125% (0.25   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - HG2   MET   96  19.64 +/- 0.49   0.004% *  1.5869% (0.98   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG2   MET   96  20.32 +/- 0.72   0.003% *  1.4043% (0.87   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG2   MET   96  16.52 +/- 0.73   0.011% *  0.2498% (0.15   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB2   PRO   52  18.94 +/- 0.38   0.005% *  0.1186% (0.07   0.02   0.02) =   0.000%
          HB3   LEU   71 - HB2   PRO   52  23.10 +/- 0.70   0.001% *  0.3808% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.83 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 = 0.645, support = 2.33, residual support = 9.02:
          QD1   ILE  103 - HG2   MET   96   3.46 +/- 0.48  86.754% * 21.3043% (0.49   1.89   9.02) =  68.878%  kept
          QG2   ILE  103 - HG2   MET   96   4.99 +/- 0.23  10.979% * 75.9828% (1.00   3.29   9.02) =  31.090%  kept
          QD2   LEU   40 - HG2   MET   96   6.98 +/- 0.42   1.661% *  0.4379% (0.95   0.02   0.02) =   0.027%
          HB    VAL   75 - HG2   MET   96   9.36 +/- 0.38   0.269% *  0.1737% (0.38   0.02   0.02) =   0.002%
          QD1   LEU   67 - HG2   MET   96  11.68 +/- 1.10   0.089% *  0.4468% (0.97   0.02   0.02) =   0.001%
          QD2   LEU   71 - HG2   MET   96  12.07 +/- 0.99   0.072% *  0.2808% (0.61   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HG2   MET   96  13.95 +/- 0.53   0.025% *  0.4588% (0.99   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PRO   52  12.77 +/- 0.57   0.042% *  0.1348% (0.29   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG2   MET   96  13.84 +/- 0.25   0.025% *  0.1429% (0.31   0.02   0.02) =   0.000%
          QG2   ILE  103 - HB2   PRO   52  16.12 +/- 0.35   0.010% *  0.1357% (0.29   0.02   0.02) =   0.000%
          QD1   LEU   67 - HB2   PRO   52  16.43 +/- 1.13   0.010% *  0.1312% (0.28   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   PRO   52  14.28 +/- 0.26   0.021% *  0.0510% (0.11   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   PRO   52  13.87 +/- 0.60   0.025% *  0.0420% (0.09   0.02   0.02) =   0.000%
          QD2   LEU   40 - HB2   PRO   52  17.50 +/- 0.34   0.006% *  0.1286% (0.28   0.02   0.02) =   0.000%
          QD1   ILE  103 - HB2   PRO   52  16.34 +/- 0.68   0.009% *  0.0662% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   71 - HB2   PRO   52  19.21 +/- 0.87   0.004% *  0.0825% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.237, support = 0.415, residual support = 0.526:
          HG    LEU   98 - HG3   MET   96   4.12 +/- 1.01  51.957% * 21.5090% (0.25   0.24   0.39) =  59.482%  kept
          QB    LEU   98 - HG3   MET   96   5.08 +/- 0.47  15.224% * 40.6542% (0.14   0.83   0.39) =  32.942%  kept
          HG3   LYS+ 106 - HG3   MET   96   4.64 +/- 0.92  31.384% *  4.4021% (0.61   0.02   2.30) =   7.354%  kept
          HB    VAL   42 - HG3   MET   96   8.82 +/- 0.37   0.476% *  3.9567% (0.54   0.02   0.02) =   0.100%
          QB    ALA   84 - HG3   MET   96   9.65 +/- 0.34   0.307% *  2.3212% (0.32   0.02   0.02) =   0.038%
          HG3   LYS+ 102 - HG3   MET   96  10.79 +/- 0.85   0.162% *  4.2578% (0.59   0.02   0.02) =   0.037%
          HB3   LEU   73 - HG3   MET   96  11.81 +/- 0.47   0.084% *  4.1735% (0.57   0.02   0.02) =   0.019%
          HB3   ASP-  44 - HG3   MET   96   9.47 +/- 0.53   0.302% *  0.8731% (0.12   0.02   0.02) =   0.014%
          HB3   PRO   93 - HG3   MET   96  12.08 +/- 0.31   0.076% *  2.4978% (0.34   0.02   0.02) =   0.010%
          HG3   LYS+  33 - HG3   MET   96  16.71 +/- 0.49   0.010% *  3.6851% (0.51   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - HG3   MET   96  18.65 +/- 0.42   0.006% *  4.3729% (0.60   0.02   0.02) =   0.001%
          HG3   LYS+  65 - HG3   MET   96  19.63 +/- 0.52   0.004% *  3.9567% (0.54   0.02   0.02) =   0.001%
          QB    ALA  124 - HG3   MET   96  17.94 +/- 0.57   0.007% *  1.3617% (0.19   0.02   0.02) =   0.000%
          QB    ALA   12 - HG3   MET   96  23.05 +/- 2.18   0.002% *  1.9780% (0.27   0.02   0.02) =   0.000%
    Distance limit 3.87 A violated in 2 structures by 0.07 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 = 0.182, support = 2.3, residual support = 8.49:
          HG13  ILE  103 - HG3   MET   96   2.84 +/- 0.41  95.589% * 36.8948% (0.15   2.40   9.02) =  93.087%  kept
          QG2   THR   94 - HG3   MET   96   5.23 +/- 0.33   4.390% * 59.6513% (0.60   0.98   1.32) =   6.912%  kept
          HB3   LEU   71 - HG3   MET   96  13.14 +/- 0.95   0.013% *  0.9868% (0.49   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG3   MET   96  18.58 +/- 0.42   0.002% *  1.2080% (0.59   0.02   0.02) =   0.000%
        T HD2   LYS+ 112 - HG3   MET   96  19.38 +/- 0.65   0.001% *  1.0690% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+ 111 - HG3   MET   96  15.59 +/- 0.70   0.005% *  0.1901% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.74 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 = 0.447, support = 2.48, residual support = 9.02:
          QD1   ILE  103 - HG3   MET   96   3.25 +/- 0.51  72.132% * 27.1167% (0.30   2.19   9.02) =  51.142%  kept
          QG2   ILE  103 - HG3   MET   96   3.96 +/- 0.23  26.403% * 70.7469% (0.61   2.78   9.02) =  48.840%  kept
          QD2   LEU   40 - HG3   MET   96   6.61 +/- 0.37   1.256% *  0.4820% (0.57   0.02   0.02) =   0.016%
          QD1   LEU   67 - HG3   MET   96  11.32 +/- 1.35   0.068% *  0.4918% (0.59   0.02   0.02) =   0.001%
          HB    VAL   75 - HG3   MET   96  10.36 +/- 0.40   0.080% *  0.1912% (0.23   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG3   MET   96  12.50 +/- 0.80   0.029% *  0.3091% (0.37   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG3   MET   96  14.43 +/- 0.60   0.011% *  0.5051% (0.60   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG3   MET   96  12.98 +/- 0.29   0.021% *  0.1573% (0.19   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 3.54, residual support = 11.2:
      O   HN    LEU   98 - HA    PHE   97   2.20 +/- 0.00 100.000% *100.0000% (0.80   3.54  11.23) = 100.000%  kept
    Distance limit 2.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3064 (8.40, 5.36, 56.63 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 4.74, residual support = 62.7:
      O   HN    PHE   97 - HA    PHE   97   2.94 +/- 0.00  99.985% * 99.4501% (0.90   4.74  62.65) = 100.000%  kept
          HN    LEU  115 - HA    PHE   97  13.24 +/- 0.35   0.012% *  0.4198% (0.90   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    PHE   97  17.05 +/- 0.22   0.003% *  0.1301% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3065 (7.15, 2.99, 40.60 ppm):
    2 chemical-shift based assignments, quality = 0.448, support = 2.44, residual support = 62.7:
      O T QD    PHE   97 - HB2   PHE   97   2.34 +/- 0.03  99.937% * 99.3176% (0.45   2.44  62.65) = 100.000%  kept
          HZ3   TRP   87 - HB2   PHE   97   8.06 +/- 0.36   0.063% *  0.6824% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 7.4, residual support = 57.2:
          HN    ASP- 105 - HB2   PHE   97   1.86 +/- 0.10  99.999% * 99.8929% (0.95   7.40  57.21) = 100.000%  kept
          HN    ALA   88 - HB2   PHE   97  14.03 +/- 0.49   0.001% *  0.1071% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 4.85, residual support = 62.7:
      O   HN    PHE   97 - HB2   PHE   97   2.25 +/- 0.05  99.993% * 99.4623% (0.90   4.85  62.65) = 100.000%  kept
          HN    LEU  115 - HB2   PHE   97  11.47 +/- 0.35   0.006% *  0.4105% (0.90   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB2   PHE   97  15.21 +/- 0.26   0.001% *  0.1273% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 57.2:
        T HB3   ASP- 105 - HB2   PHE   97   2.69 +/- 0.39  96.496% * 95.8874% (0.99   3.82  57.21) =  99.987%  kept
        T QB    LYS+ 106 - HB2   PHE   97   5.22 +/- 0.26   2.026% *  0.4056% (0.80   0.02  12.38) =   0.009%
          HB    ILE  103 - HB2   PHE   97   6.63 +/- 0.25   0.543% *  0.5065% (1.00   0.02   1.97) =   0.003%
          HG12  ILE  103 - HB2   PHE   97   6.07 +/- 0.50   0.906% *  0.1002% (0.20   0.02   1.97) =   0.001%
          HG3   PRO   68 - HB2   PHE   97  15.72 +/- 2.10   0.005% *  0.5054% (1.00   0.02   0.02) =   0.000%
          HG    LEU  123 - HB2   PHE   97  13.19 +/- 0.62   0.009% *  0.2082% (0.41   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   PHE   97  15.98 +/- 0.42   0.003% *  0.4792% (0.95   0.02   0.02) =   0.000%
          HB    ILE   56 - HB2   PHE   97  14.54 +/- 0.29   0.005% *  0.1901% (0.38   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   PHE   97  17.73 +/- 0.60   0.002% *  0.4543% (0.90   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   PHE   97  15.23 +/- 0.45   0.004% *  0.1263% (0.25   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   PHE   97  19.10 +/- 0.30   0.001% *  0.4231% (0.84   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   PHE   97  21.63 +/- 0.68   0.000% *  0.5054% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   52 - HB2   PHE   97  18.88 +/- 0.47   0.001% *  0.2082% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.301, support = 4.15, residual support = 13.7:
        T HB2   LEU  104 - HB2   PHE   97   3.37 +/- 0.32  55.554% * 53.0262% (0.31   4.73  17.87) =  73.793%  kept
          QG2   ILE  103 - HB2   PHE   97   3.75 +/- 0.28  31.586% * 25.5522% (0.25   2.82   1.97) =  20.218%  kept
          QD2   LEU   40 - HB2   PHE   97   4.39 +/- 0.35  12.081% * 19.7751% (0.38   1.45   1.24) =   5.985%  kept
          QD1   LEU   67 - HB2   PHE   97   8.79 +/- 1.82   0.341% *  0.2478% (0.34   0.02   0.02) =   0.002%
          QD1   ILE  119 - HB2   PHE   97   9.44 +/- 0.94   0.166% *  0.4406% (0.61   0.02   0.02) =   0.002%
          QG2   VAL  108 - HB2   PHE   97   8.45 +/- 0.75   0.253% *  0.1438% (0.20   0.02   0.02) =   0.001%
          HB    VAL   75 - HB2   PHE   97  13.57 +/- 0.43   0.013% *  0.6872% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   PHE   97  15.62 +/- 0.92   0.006% *  0.1272% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.296, support = 3.15, residual support = 16.8:
          HB2   LEU  104 - HB3   PHE   97   2.19 +/- 0.17  83.706% * 68.4546% (0.29   3.30  17.87) =  93.340%  kept
        T QD2   LEU   40 - HB3   PHE   97   3.01 +/- 0.39  14.496% * 28.1606% (0.36   1.12   1.24) =   6.649%  kept
          QG2   ILE  103 - HB3   PHE   97   4.46 +/- 0.30   1.673% *  0.3355% (0.24   0.02   1.97) =   0.009%
          QD1   LEU   67 - HB3   PHE   97   8.06 +/- 1.81   0.090% *  0.4589% (0.32   0.02   0.02) =   0.001%
          QD1   ILE  119 - HB3   PHE   97   9.79 +/- 0.98   0.022% *  0.8160% (0.57   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   PHE   97   9.90 +/- 0.74   0.011% *  0.2662% (0.19   0.02   0.02) =   0.000%
          HB    VAL   75 - HB3   PHE   97  14.15 +/- 0.41   0.001% *  1.2726% (0.89   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   PHE   97  16.01 +/- 0.97   0.001% *  0.2356% (0.17   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 62.7:
      O T QD    PHE   97 - HB3   PHE   97   2.47 +/- 0.05  99.937% * 99.1444% (0.87   2.74  62.65) = 100.000%  kept
          HZ3   TRP   87 - HB3   PHE   97   8.50 +/- 0.39   0.063% *  0.6809% (0.82   0.02   0.02) =   0.000%
          HE3   TRP   49 - HB3   PHE   97  25.34 +/- 0.25   0.000% *  0.1748% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 5.17, residual support = 57.2:
          HN    ASP- 105 - HB3   PHE   97   2.25 +/- 0.22  99.999% * 99.0211% (0.46   5.17  57.21) = 100.000%  kept
          HN    ALA   88 - HB3   PHE   97  15.17 +/- 0.48   0.001% *  0.6833% (0.82   0.02   0.02) =   0.000%
          HN    PHE   55 - HB3   PHE   97  19.66 +/- 0.18   0.000% *  0.2956% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 5.2, residual support = 62.7:
      O   HN    PHE   97 - HB3   PHE   97   3.46 +/- 0.06  99.950% * 99.4984% (0.85   5.20  62.65) = 100.000%  kept
          HN    LEU  115 - HB3   PHE   97  12.71 +/- 0.34   0.041% *  0.3829% (0.85   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   PHE   97  16.50 +/- 0.26   0.009% *  0.1187% (0.26   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 2.29, residual support = 57.2:
          HB3   ASP- 105 - HB3   PHE   97   3.40 +/- 0.34  96.797% * 91.1527% (0.72   2.30  57.21) =  99.968%  kept
          QB    LYS+ 106 - HB3   PHE   97   6.70 +/- 0.29   1.737% *  1.0186% (0.93   0.02  12.38) =   0.020%
          HB    ILE  103 - HB3   PHE   97   7.04 +/- 0.24   1.344% *  0.7138% (0.65   0.02   1.97) =   0.011%
          HG3   PRO   68 - HB3   PHE   97  14.50 +/- 2.14   0.032% *  0.6723% (0.61   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB3   PHE   97  13.68 +/- 0.44   0.027% *  0.7546% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB3   PHE   97  15.09 +/- 0.47   0.016% *  0.9014% (0.82   0.02   0.02) =   0.000%
          HB    ILE   56 - HB3   PHE   97  15.73 +/- 0.27   0.012% *  0.9014% (0.82   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB3   PHE   97  14.92 +/- 0.31   0.016% *  0.5468% (0.50   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB3   PHE   97  19.14 +/- 0.58   0.004% *  0.9593% (0.87   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB3   PHE   97  20.01 +/- 0.27   0.003% *  1.0029% (0.91   0.02   0.02) =   0.000%
          HB2   MET   92 - HB3   PHE   97  18.02 +/- 0.50   0.005% *  0.3900% (0.36   0.02   0.02) =   0.000%
        T HB3   PRO   58 - HB3   PHE   97  16.89 +/- 0.33   0.007% *  0.2314% (0.21   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB3   PHE   97  22.64 +/- 0.70   0.001% *  0.7546% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 0.278, support = 4.49, residual support = 27.0:
          HG12  ILE  103 - HA    LEU   98   3.48 +/- 0.47  84.296% * 51.4732% (0.25   4.80  29.05) =  92.928%  kept
          QB    LYS+ 102 - HA    LEU   98   5.12 +/- 0.39  11.260% * 19.6266% (0.98   0.47   1.07) =   4.733%  kept
          HB    VAL   41 - HA    LEU   98   6.67 +/- 1.23   4.285% * 25.4580% (0.38   1.58  15.02) =   2.336%
          HB2   LEU   71 - HA    LEU   98  10.74 +/- 0.44   0.128% *  0.8574% (1.00   0.02   0.02) =   0.002%
          QB    LYS+  66 - HA    LEU   98  14.68 +/- 0.55   0.017% *  0.4865% (0.57   0.02   0.02) =   0.000%
          QB    LYS+  65 - HA    LEU   98  17.43 +/- 0.31   0.006% *  0.8593% (1.00   0.02   0.02) =   0.000%
          HG2   PRO   93 - HA    LEU   98  18.46 +/- 0.25   0.004% *  0.7178% (0.84   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LEU   98  20.01 +/- 0.47   0.003% *  0.5212% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 29.1:
          HA    ILE  103 - HA    LEU   98   2.07 +/- 0.15  99.550% * 94.1073% (0.73   2.96  29.05) =  99.999%  kept
          HA    LEU  104 - HA    LEU   98   5.22 +/- 0.16   0.435% *  0.2437% (0.28   0.02   4.66) =   0.001%
          HA    ASP-  44 - HA    LEU   98  11.62 +/- 0.21   0.003% *  0.7861% (0.90   0.02   0.02) =   0.000%
          HA    THR   39 - HA    LEU   98   9.75 +/- 0.35   0.010% *  0.2437% (0.28   0.02   0.02) =   0.000%
          HA    ASP-  86 - HA    LEU   98  14.92 +/- 0.45   0.001% *  0.6365% (0.73   0.02   0.02) =   0.000%
          HA    SER   85 - HA    LEU   98  16.77 +/- 0.40   0.000% *  0.7321% (0.84   0.02   0.02) =   0.000%
          HB    THR   77 - HA    LEU   98  19.20 +/- 0.48   0.000% *  0.7321% (0.84   0.02   0.02) =   0.000%
          HA    GLU-  14 - HA    LEU   98  22.21 +/- 1.54   0.000% *  0.5670% (0.65   0.02   0.02) =   0.000%
          HA    ALA   12 - HA    LEU   98  26.19 +/- 2.66   0.000% *  0.6699% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  79 - HA    LEU   98  22.24 +/- 0.38   0.000% *  0.2990% (0.34   0.02   0.02) =   0.000%
          HA    MET   11 - HA    LEU   98  27.46 +/- 3.28   0.000% *  0.8091% (0.92   0.02   0.02) =   0.000%
          HA1   GLY   51 - HA    LEU   98  26.17 +/- 0.16   0.000% *  0.1735% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.945, support = 0.02, residual support = 0.499:
          HN    ASP- 105 - HA    LEU   98   4.95 +/- 0.31  99.771% * 71.5947% (0.95   0.02   0.50) =  99.909%  kept
          HN    ALA   88 - HA    LEU   98  13.79 +/- 0.49   0.229% * 28.4053% (0.38   0.02   0.02) =   0.091%
    Distance limit 3.94 A violated in 20 structures by 1.02 A, eliminated.
    Peak unassigned.
 
    Peak 3078 (8.34, 5.51, 53.84 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 3.98, residual support = 15.8:
      O   HN    LYS+  99 - HA    LEU   98   2.24 +/- 0.02  99.922% * 98.9842% (0.80   3.98  15.78) = 100.000%  kept
          HE1   HIS  122 - HA    LEU   98   9.12 +/- 3.11   0.072% *  0.4516% (0.73   0.02   0.02) =   0.000%
          HN    ASN   35 - HA    LEU   98  11.51 +/- 0.44   0.006% *  0.2121% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LEU   98  22.34 +/- 1.68   0.000% *  0.3521% (0.57   0.02   0.02) =   0.000%
    Distance limit 2.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3079 (9.38, 5.51, 53.84 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 2.08, residual support = 4.66:
          HN    LEU  104 - HA    LEU   98   2.76 +/- 0.27  99.987% * 99.3719% (0.92   2.08   4.66) = 100.000%  kept
          HN    PHE   72 - HA    LEU   98  12.58 +/- 0.29   0.013% *  0.6281% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 83.8:
      O   HN    LEU   98 - HA    LEU   98   2.94 +/- 0.00 100.000% *100.0000% (0.98   5.21  83.82) = 100.000%  kept
    Distance limit 3.61 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 = 0.538, support = 3.63, residual support = 26.7:
          HG12  ILE  103 - QB    LEU   98   3.08 +/- 0.40  68.405% * 65.3608% (0.56   3.86  29.05) =  83.566%  kept
        T HB    VAL   41 - QB    LEU   98   4.30 +/- 1.20  28.022% * 31.3341% (0.42   2.46  15.02) =  16.411%  kept
          HB    ILE  103 - QB    LEU   98   5.08 +/- 0.18   3.119% *  0.3594% (0.60   0.02  29.05) =   0.021%
          HB3   ASP- 105 - QB    LEU   98   8.38 +/- 0.32   0.159% *  0.3174% (0.53   0.02   0.50) =   0.001%
        T QB    LYS+ 106 - QB    LEU   98   7.90 +/- 0.46   0.232% *  0.1615% (0.27   0.02   0.02) =   0.001%
        T QB    LYS+  33 - QB    LEU   98  10.50 +/- 0.39   0.042% *  0.2547% (0.42   0.02   0.02) =   0.000%
          HG3   PRO   68 - QB    LEU   98  15.61 +/- 1.51   0.005% *  0.3800% (0.63   0.02   0.02) =   0.000%
          QB    LYS+  66 - QB    LEU   98  13.91 +/- 0.59   0.008% *  0.1615% (0.27   0.02   0.02) =   0.000%
          HG    LEU  123 - QB    LEU   98  16.80 +/- 0.64   0.002% *  0.4693% (0.78   0.02   0.02) =   0.000%
          HB3   GLN   90 - QB    LEU   98  16.47 +/- 0.65   0.003% *  0.2151% (0.36   0.02   0.02) =   0.000%
          QB    LYS+  81 - QB    LEU   98  15.93 +/- 0.29   0.003% *  0.1785% (0.30   0.02   0.02) =   0.000%
          HB3   PRO   52 - QB    LEU   98  20.68 +/- 0.32   0.001% *  0.4693% (0.78   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QB    LEU   98  22.94 +/- 0.54   0.000% *  0.3385% (0.56   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3082 (8.35, 1.41, 47.50 ppm):
    5 chemical-shift based assignments, quality = 0.268, support = 3.61, residual support = 15.8:
          HN    LYS+  99 - QB    LEU   98   3.09 +/- 0.15  99.515% * 97.1820% (0.27   3.61  15.78) =  99.995%  kept
          HN    ASN   35 - QB    LEU   98   8.40 +/- 0.42   0.260% *  1.4581% (0.72   0.02   0.02) =   0.004%
          HE1   HIS  122 - QB    LEU   98   9.61 +/- 2.54   0.222% *  0.4353% (0.22   0.02   0.02) =   0.001%
          HN    GLU-  14 - QB    LEU   98  18.86 +/- 1.63   0.002% *  0.2694% (0.13   0.02   0.02) =   0.000%
          HN    ALA   12 - QB    LEU   98  22.59 +/- 2.92   0.001% *  0.6552% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.48 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3083 (9.02, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 2.3, residual support = 15.0:
          HN    VAL   41 - QB    LEU   98   3.86 +/- 0.34 100.000% *100.0000% (0.85   2.30  15.02) = 100.000%  kept
    Distance limit 4.00 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3084 (9.69, 1.41, 47.50 ppm):
    1 chemical-shift based assignment, quality = 0.85, support = 5.17, residual support = 83.8:
      O   HN    LEU   98 - QB    LEU   98   2.92 +/- 0.14 100.000% *100.0000% (0.85   5.17  83.82) = 100.000%  kept
    Distance limit 3.32 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 = 83.8:
      O   HA    LEU   98 - HG    LEU   98   3.54 +/- 0.54 100.000% *100.0000% (0.69   4.04  83.82) = 100.000%  kept
    Distance limit 4.02 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 = 4.23, residual support = 83.8:
          HN    LEU   98 - HG    LEU   98   3.45 +/- 0.59 100.000% *100.0000% (0.98   4.23  83.82) = 100.000%  kept
    Distance limit 3.75 A violated in 1 structures by 0.10 A, kept.
 
    Peak 3087 (4.31, 0.71, 25.69 ppm):
    9 chemical-shift based assignments, quality = 0.249, support = 3.61, residual support = 29.0:
        T HA    ILE  103 - QD1   LEU   98   2.73 +/- 0.39  99.056% * 89.4692% (0.25   3.61  29.05) =  99.985%  kept
        T HA    LEU  104 - QD1   LEU   98   6.35 +/- 0.44   0.667% *  1.5206% (0.76   0.02   4.66) =   0.011%
          HA    ASP-  86 - QD1   LEU   98   9.66 +/- 0.45   0.076% *  1.9853% (1.00   0.02   0.02) =   0.002%
          HA    ASP-  44 - QD1   LEU   98   8.22 +/- 0.93   0.162% *  0.8180% (0.41   0.02   0.02) =   0.001%
          HA    SER   85 - QD1   LEU   98  11.15 +/- 0.46   0.029% *  0.6787% (0.34   0.02   0.02) =   0.000%
          HB    THR   77 - QD1   LEU   98  13.48 +/- 0.81   0.008% *  0.6787% (0.34   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD1   LEU   98  18.73 +/- 1.39   0.001% *  1.9853% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD1   LEU   98  22.11 +/- 2.27   0.001% *  1.9721% (0.99   0.02   0.02) =   0.000%
          HA    MET   11 - QD1   LEU   98  23.15 +/- 2.95   0.000% *  0.8921% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.14 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3088 (7.20, 0.71, 25.69 ppm):
    4 chemical-shift based assignments, quality = 0.776, support = 0.0199, residual support = 0.0199:
          HD1   TRP   27 - QD1   LEU   98   9.82 +/- 0.64  44.926% * 33.8723% (0.84   0.02   0.02) =  50.425%  kept
          QD    PHE   59 - QD1   LEU   98  10.62 +/- 0.94  29.308% * 33.8723% (0.84   0.02   0.02) =  32.896%  kept
          HE21  GLN   30 - QD1   LEU   98  10.83 +/- 0.84  25.038% * 19.7390% (0.49   0.02   0.02) =  16.377%  kept
          HH2   TRP   49 - QD1   LEU   98  19.37 +/- 0.79   0.728% * 12.5164% (0.31   0.02   0.02) =   0.302%
    Distance limit 3.57 A violated in 20 structures by 4.94 A, eliminated.
    Peak unassigned.
 
    Peak 3089 (0.61, 1.77, 37.34 ppm):
    7 chemical-shift based assignments, quality = 0.687, support = 3.37, residual support = 18.8:
        T QD1   LEU  104 - HB2   LYS+  99   2.23 +/- 0.19  99.977% * 97.6917% (0.69   3.37  18.76) = 100.000%  kept
        T QD1   LEU   63 - HB2   LYS+  99  10.49 +/- 0.82   0.011% *  0.1304% (0.15   0.02   0.02) =   0.000%
        T QD1   LEU   73 - HB2   LYS+  99  11.16 +/- 0.76   0.008% *  0.1304% (0.15   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB2   LYS+  99  16.47 +/- 0.65   0.001% *  0.8431% (1.00   0.02   0.02) =   0.000%
        T QG2   ILE   89 - HB2   LYS+  99  15.28 +/- 0.52   0.001% *  0.4784% (0.57   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB2   LYS+  99  14.75 +/- 0.63   0.001% *  0.3474% (0.41   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   LYS+  99  17.46 +/- 0.92   0.001% *  0.3788% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 2.37, residual support = 12.7:
        T QD2   LEU   40 - HB2   LYS+  99   3.07 +/- 0.70  97.888% * 95.9497% (0.95   2.37  12.71) =  99.983%  kept
          QG2   ILE  103 - HB2   LYS+  99   6.92 +/- 0.33   1.316% *  0.8542% (1.00   0.02   0.02) =   0.012%
          QD1   ILE  103 - HB2   LYS+  99   8.09 +/- 0.63   0.477% *  0.4167% (0.49   0.02   0.02) =   0.002%
          QD1   LEU   67 - HB2   LYS+  99   9.67 +/- 1.53   0.224% *  0.8262% (0.97   0.02   0.02) =   0.002%
          QD2   LEU   71 - HB2   LYS+  99  11.30 +/- 0.84   0.061% *  0.5192% (0.61   0.02   0.02) =   0.000%
          QG2   ILE  119 - HB2   LYS+  99  12.93 +/- 0.55   0.027% *  0.2642% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB2   LYS+  99  19.74 +/- 0.98   0.002% *  0.8485% (0.99   0.02   0.02) =   0.000%
          HB    VAL   75 - HB2   LYS+  99  17.42 +/- 0.72   0.004% *  0.3213% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 171.6:
      O   HN    LYS+  99 - HB2   LYS+  99   2.92 +/- 0.15  99.321% * 97.8375% (0.31   4.73 171.63) =  99.997%  kept
          HE1   HIS  122 - HB2   LYS+  99   8.64 +/- 2.67   0.653% *  0.3340% (0.25   0.02   0.02) =   0.002%
          HN    ASN   35 - HB2   LYS+  99  11.87 +/- 0.66   0.025% *  1.1190% (0.84   0.02   0.02) =   0.000%
          HN    GLU-  14 - HB2   LYS+  99  22.01 +/- 1.64   0.001% *  0.2067% (0.15   0.02   0.02) =   0.000%
          HN    ALA   12 - HB2   LYS+  99  25.99 +/- 2.79   0.000% *  0.5028% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 5.09, residual support = 171.6:
      O   HN    LYS+  99 - HA    LYS+  99   2.91 +/- 0.02  99.718% * 99.2042% (0.80   5.09 171.63) =  99.999%  kept
          HE1   HIS  122 - HA    LYS+  99   9.74 +/- 2.67   0.163% *  0.3538% (0.73   0.02   0.02) =   0.001%
          HN    ASN   35 - HA    LYS+  99   9.08 +/- 0.58   0.118% *  0.1662% (0.34   0.02   0.02) =   0.000%
          HN    GLU-  14 - HA    LYS+  99  20.07 +/- 1.81   0.001% *  0.2758% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 6.79, residual support = 40.2:
      O   HN    GLU- 100 - HA    LYS+  99   2.19 +/- 0.02 100.000% *100.0000% (0.84   6.79  40.20) = 100.000%  kept
    Distance limit 2.96 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 = 0.885, support = 5.18, residual support = 177.1:
      O   QE    LYS+  99 - HG2   LYS+  99   2.35 +/- 0.36  57.087% * 80.8202% (0.99   5.28 171.63) =  85.538%  kept
      O   QE    LYS+  38 - HG2   LYS+  38   2.53 +/- 0.43  42.804% * 18.2229% (0.26   4.58 209.68) =  14.461%  kept
          QE    LYS+  38 - HG2   LYS+  99   8.83 +/- 0.73   0.037% *  0.2920% (0.95   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  99   9.32 +/- 0.73   0.019% *  0.2359% (0.76   0.02   1.21) =   0.000%
          QE    LYS+  99 - HG2   LYS+  38   8.33 +/- 0.80   0.035% *  0.0834% (0.27   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  99   9.47 +/- 0.17   0.013% *  0.1053% (0.34   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HG2   LYS+  38  12.64 +/- 1.10   0.003% *  0.0643% (0.21   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  99  18.03 +/- 0.76   0.000% *  0.1158% (0.38   0.02   0.02) =   0.000%
          HB2   PHE   97 - HG2   LYS+  38  16.59 +/- 0.50   0.001% *  0.0287% (0.09   0.02   0.02) =   0.000%
          HB3   TRP   27 - HG2   LYS+  38  17.91 +/- 0.43   0.000% *  0.0316% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.48 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 = 171.6:
      O T HA    LYS+  99 - HG2   LYS+  99   2.55 +/- 0.36  81.913% * 97.7687% (0.84   7.08 171.63) =  99.963%  kept
          HA    LEU   40 - HG2   LYS+  99   3.54 +/- 0.64  13.866% *  0.1872% (0.57   0.02  12.71) =   0.032%
          HA    ASN   35 - HG2   LYS+  38   4.62 +/- 0.53   4.006% *  0.0853% (0.26   0.02   0.02) =   0.004%
          HA    ASN   35 - HG2   LYS+  99   8.65 +/- 0.84   0.068% *  0.3128% (0.95   0.02   0.02) =   0.000%
        T HA    LYS+  99 - HG2   LYS+  38   8.56 +/- 0.52   0.080% *  0.0753% (0.23   0.02   0.02) =   0.000%
          HA    LEU   40 - HG2   LYS+  38   8.88 +/- 0.27   0.059% *  0.0510% (0.15   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  99  14.55 +/- 0.95   0.003% *  0.3300% (1.00   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  99  16.56 +/- 1.61   0.001% *  0.1241% (0.38   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  99  22.06 +/- 0.41   0.000% *  0.3191% (0.97   0.02   0.02) =   0.000%
          HA    GLU-  15 - HG2   LYS+  38  16.65 +/- 1.62   0.001% *  0.0338% (0.10   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  99  21.85 +/- 2.26   0.000% *  0.1241% (0.38   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  99  22.01 +/- 0.65   0.000% *  0.1360% (0.41   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  99  23.67 +/- 0.58   0.000% *  0.1610% (0.49   0.02   0.02) =   0.000%
          HA    LEU  123 - HG2   LYS+  38  21.74 +/- 1.05   0.000% *  0.0899% (0.27   0.02   0.02) =   0.000%
          HA    SER   13 - HG2   LYS+  38  19.87 +/- 2.74   0.001% *  0.0338% (0.10   0.02   0.02) =   0.000%
          HA    ILE   56 - HG2   LYS+  38  28.15 +/- 0.31   0.000% *  0.0870% (0.26   0.02   0.02) =   0.000%
          HA    PRO   58 - HG2   LYS+  38  27.41 +/- 0.40   0.000% *  0.0371% (0.11   0.02   0.02) =   0.000%
          HA    ASP- 113 - HG2   LYS+  38  31.37 +/- 0.38   0.000% *  0.0439% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.678, support = 0.0198, residual support = 0.939:
          HA    LEU   40 - HA    GLU- 100   6.16 +/- 0.52  22.297% * 11.5542% (0.80   0.02   0.02) =  77.051%  kept
          HA    SER   37 - HA    LYS+  38   5.22 +/- 0.02  55.386% *  0.6663% (0.05   0.02   8.34) =  11.038%  kept
          HA    SER   37 - HA    GLU- 100   9.25 +/- 0.98   2.152% * 11.0274% (0.76   0.02   0.02) =   7.096%  kept
          HA    LEU   40 - HA    LYS+  38   6.24 +/- 0.04  18.978% *  0.6982% (0.05   0.02   0.02) =   3.963%  kept
          HA    VAL   42 - HA    GLU- 100  11.47 +/- 0.41   0.503% *  3.2125% (0.22   0.02   0.02) =   0.483%
          HA    GLU-  15 - HA    GLU- 100  18.14 +/- 1.60   0.035% * 13.6497% (0.95   0.02   0.02) =   0.144%
          HA    GLN   17 - HA    GLU- 100  20.15 +/- 0.87   0.017% * 11.0274% (0.76   0.02   0.02) =   0.056%
          HA    SER   13 - HA    GLU- 100  22.70 +/- 2.68   0.010% * 13.6497% (0.95   0.02   0.02) =   0.042%
          HA    GLU-  15 - HA    LYS+  38  15.33 +/- 1.53   0.104% *  0.8248% (0.06   0.02   0.02) =   0.026%
          HA    THR   46 - HA    GLU- 100  23.81 +/- 0.49   0.006% * 12.0525% (0.84   0.02   0.02) =   0.022%
          HA    VAL   42 - HA    LYS+  38  11.97 +/- 0.16   0.383% *  0.1941% (0.01   0.02   0.02) =   0.022%
          HA    LEU  123 - HA    GLU- 100  19.12 +/- 0.90   0.024% *  2.8556% (0.20   0.02   0.02) =   0.021%
        T HA    PRO   58 - HA    GLU- 100  25.30 +/- 0.50   0.004% * 13.3201% (0.92   0.02   0.02) =   0.017%
          HA    SER   13 - HA    LYS+  38  19.32 +/- 2.49   0.028% *  0.8248% (0.06   0.02   0.02) =   0.007%
          HA    GLN   17 - HA    LYS+  38  18.25 +/- 0.69   0.031% *  0.6663% (0.05   0.02   0.02) =   0.006%
          HA    ILE   56 - HA    GLU- 100  25.02 +/- 0.31   0.005% *  1.9528% (0.14   0.02   0.02) =   0.003%
          HA    THR   46 - HA    LYS+  38  24.20 +/- 0.24   0.006% *  0.7283% (0.05   0.02   0.02) =   0.001%
          HA    LEU  123 - HA    LYS+  38  19.52 +/- 1.05   0.022% *  0.1726% (0.01   0.02   0.02) =   0.001%
        T HA    PRO   58 - HA    LYS+  38  24.98 +/- 0.33   0.005% *  0.8049% (0.06   0.02   0.02) =   0.001%
          HA    ILE   56 - HA    LYS+  38  25.58 +/- 0.19   0.004% *  0.1180% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 20 structures by 1.11 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   3.00 +/- 0.30  98.119% * 99.9687% (1.00   3.86  14.95) =  99.999%  kept
          HN    GLY  101 - HA    LYS+  38   6.37 +/- 0.83   1.881% *  0.0313% (0.06   0.02   0.02) =   0.001%
    Distance limit 3.30 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   2.22 +/- 0.09  97.747% * 99.9811% (0.84   6.39  72.68) = 100.000%  kept
          HN    GLU- 100 - HA    LYS+  38   4.39 +/- 0.58   2.253% *  0.0189% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.94 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 = 0.717, support = 0.0195, residual support = 0.0195:
          HA    VAL   70 - HB2   GLU- 100  11.92 +/- 0.53  29.598% * 11.7220% (0.84   0.02   0.02) =  46.931%  kept
        T HA    LYS+  33 - HB2   GLU- 100  14.10 +/- 1.06  10.788% * 14.0027% (1.00   0.02   0.02) =  20.434%  kept
          HB2   SER   37 - HB2   GLU- 100  11.50 +/- 1.12  37.597% *  2.7773% (0.20   0.02   0.02) =  14.125%  kept
        T HA    GLN   32 - HB2   GLU- 100  13.21 +/- 1.17  16.183% *  4.3315% (0.31   0.02   0.02) =   9.482%  kept
        T HA    GLU-  29 - HB2   GLU- 100  18.49 +/- 1.00   2.116% * 13.7559% (0.98   0.02   0.02) =   3.938%  kept
          HA    VAL   18 - HB2   GLU- 100  19.85 +/- 0.58   1.450% * 13.5436% (0.97   0.02   0.02) =   2.657%  kept
        T HA    GLN  116 - HB2   GLU- 100  23.28 +/- 0.84   0.631% * 11.7220% (0.84   0.02   0.02) =   1.001%
          HA    ALA   88 - HB2   GLU- 100  21.20 +/- 0.87   1.078% *  4.7871% (0.34   0.02   0.02) =   0.698%
          HB2   SER   82 - HB2   GLU- 100  25.38 +/- 0.56   0.332% * 12.9548% (0.92   0.02   0.02) =   0.582%
          HA    SER   48 - HB2   GLU- 100  30.93 +/- 0.40   0.104% *  7.9453% (0.57   0.02   0.02) =   0.111%
          HD2   PRO   52 - HB2   GLU- 100  30.20 +/- 0.44   0.122% *  2.4578% (0.18   0.02   0.02) =   0.041%
    Distance limit 3.42 A violated in 20 structures by 6.33 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 = 40.2:
          HG2   LYS+  99 - HG2   GLU- 100   3.32 +/- 0.06  95.537% * 97.4448% (0.45   5.17  40.20) =  99.977%  kept
          HG2   LYS+  38 - HG2   GLU- 100   6.12 +/- 1.10   4.427% *  0.4761% (0.57   0.02   0.02) =   0.023%
          HB2   LEU   31 - HG2   GLU- 100  13.62 +/- 1.53   0.028% *  0.1473% (0.18   0.02   0.02) =   0.000%
          QB    ALA   88 - HG2   GLU- 100  17.29 +/- 0.82   0.005% *  0.7541% (0.90   0.02   0.02) =   0.000%
          QG2   THR   77 - HG2   GLU- 100  20.43 +/- 0.72   0.002% *  0.8242% (0.98   0.02   0.02) =   0.000%
          QG2   THR   23 - HG2   GLU- 100  22.36 +/- 1.13   0.001% *  0.1664% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG2   GLU- 100  26.77 +/- 0.60   0.000% *  0.1872% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3104 (1.31, 2.12, 38.95 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 4.12, residual support = 40.2:
          HG2   LYS+  99 - HG3   GLU- 100   2.47 +/- 0.47  99.791% * 96.8133% (0.45   4.12  40.20) =  99.999%  kept
          HG2   LYS+  38 - HG3   GLU- 100   7.41 +/- 1.13   0.202% *  0.5937% (0.57   0.02   0.02) =   0.001%
          QB    ALA   88 - HG3   GLU- 100  16.54 +/- 0.75   0.002% *  0.9405% (0.90   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   GLU- 100  14.04 +/- 1.20   0.004% *  0.1837% (0.18   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   GLU- 100  19.89 +/- 0.33   0.001% *  1.0279% (0.98   0.02   0.02) =   0.000%
          QG2   THR   23 - HG3   GLU- 100  22.49 +/- 0.78   0.000% *  0.2075% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   GLU- 100  25.51 +/- 0.60   0.000% *  0.2335% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.35 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   3.31 +/- 0.28  89.936% * 98.8312% (1.00   4.47  72.68) =  99.990%  kept
          HA    LYS+  38 - HG3   GLU- 100   5.52 +/- 1.34  10.062% *  0.0877% (0.20   0.02   0.02) =   0.010%
          HA    VAL   83 - HG3   GLU- 100  20.58 +/- 0.67   0.002% *  0.4432% (1.00   0.02   0.02) =   0.000%
          HD2   PRO   58 - HG3   GLU- 100  26.23 +/- 0.27   0.000% *  0.4393% (0.99   0.02   0.02) =   0.000%
          HB2   CYS   53 - HG3   GLU- 100  27.12 +/- 0.61   0.000% *  0.1987% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.02 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   2.72 +/- 0.34 100.000% *100.0000% (0.97   4.33  72.68) = 100.000%  kept
    Distance limit 4.06 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   2.90 +/- 0.55 100.000% *100.0000% (0.84   6.52  72.68) = 100.000%  kept
    Distance limit 4.16 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 = 4.76, residual support = 160.0:
      O   HN    LYS+ 102 - QB    LYS+ 102   2.60 +/- 0.09  99.446% * 98.4806% (1.00   4.76 160.03) =  99.999%  kept
          HN    THR   39 - HB    VAL   41   6.89 +/- 0.66   0.350% *  0.1130% (0.27   0.02   0.13) =   0.000%
          HN    LYS+ 102 - HB    VAL   41   8.91 +/- 1.56   0.106% *  0.1859% (0.45   0.02   0.02) =   0.000%
          HN    GLU-  36 - HB    VAL   41   9.23 +/- 0.57   0.054% *  0.1798% (0.43   0.02   0.02) =   0.000%
          HN    THR   39 - QB    LYS+ 102  11.24 +/- 1.39   0.020% *  0.2515% (0.61   0.02   0.02) =   0.000%
          HD1   TRP   87 - HB    VAL   41  11.30 +/- 0.77   0.017% *  0.1206% (0.29   0.02   0.02) =   0.000%
          HN    GLU-  36 - QB    LYS+ 102  13.84 +/- 1.22   0.005% *  0.4002% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   87 - QB    LYS+ 102  14.36 +/- 0.34   0.004% *  0.2683% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 22.7:
          HN    ILE  103 - QB    LYS+ 102   3.12 +/- 0.37  99.871% * 98.9479% (1.00   5.47  22.69) = 100.000%  kept
          HN    ILE  103 - HB    VAL   41  10.35 +/- 1.22   0.109% *  0.1627% (0.45   0.02   0.02) =   0.000%
          HN    GLN   90 - QB    LYS+ 102  18.17 +/- 0.59   0.003% *  0.3425% (0.95   0.02   0.02) =   0.000%
          HN    GLN   90 - HB    VAL   41  16.75 +/- 1.05   0.005% *  0.1539% (0.43   0.02   0.02) =   0.000%
          HN    GLY  109 - QB    LYS+ 102  17.59 +/- 0.70   0.003% *  0.1905% (0.53   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    VAL   41  17.57 +/- 0.81   0.004% *  0.0856% (0.24   0.02   0.02) =   0.000%
          HN    SER   82 - HB    VAL   41  18.14 +/- 0.69   0.003% *  0.0362% (0.10   0.02   0.02) =   0.000%
          HN    SER   82 - QB    LYS+ 102  21.08 +/- 0.43   0.001% *  0.0806% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 4.51, residual support = 160.0:
          HN    LYS+ 102 - HG2   LYS+ 102   3.66 +/- 0.25  99.457% * 99.2281% (0.73   4.51 160.03) =  99.999%  kept
          HN    ASP- 105 - HG2   LYS+ 102   9.99 +/- 0.83   0.425% *  0.2273% (0.38   0.02   0.02) =   0.001%
          HN    THR   39 - HG2   LYS+ 102  12.69 +/- 1.66   0.081% *  0.1061% (0.18   0.02   0.02) =   0.000%
          HN    GLU-  36 - HG2   LYS+ 102  15.09 +/- 1.55   0.025% *  0.3187% (0.53   0.02   0.02) =   0.000%
          HD1   TRP   87 - HG2   LYS+ 102  16.85 +/- 0.66   0.011% *  0.1199% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3111 (3.95, 4.28, 62.30 ppm):
    20 chemical-shift based assignments, quality = 0.606, support = 0.0179, residual support = 0.0179:
          HB    THR   94 - HA    ILE  103  12.55 +/- 0.21  22.619% *  8.0503% (0.76   0.02   0.02) =  31.644%  kept
          HA    LYS+ 121 - HA    ILE  103  13.25 +/- 0.53  16.571% *  7.2359% (0.69   0.02   0.02) =  20.838%  kept
          HA2   GLY   16 - HA    THR   39  13.57 +/- 1.73  17.098% *  3.1212% (0.30   0.02   0.02) =   9.274%  kept
        T QB    SER   85 - HA    ILE  103  15.96 +/- 0.35   5.342% *  9.4472% (0.90   0.02   0.02) =   8.771%  kept
        T QB    SER  117 - HA    ILE  103  13.78 +/- 0.35  13.010% *  3.5932% (0.34   0.02   0.02) =   8.124%  kept
          HA    ALA  120 - HA    ILE  103  16.49 +/- 0.45   4.397% * 10.4407% (0.99   0.02   0.02) =   7.978%  kept
          HA    LYS+  65 - HA    THR   39  15.62 +/- 0.59   6.113% *  2.9069% (0.28   0.02   0.02) =   3.088%  kept
          HA    LYS+  65 - HA    ILE  103  19.96 +/- 0.41   1.408% *  8.7987% (0.84   0.02   0.02) =   2.153%
          HA2   GLY   16 - HA    ILE  103  20.71 +/- 1.13   1.138% *  9.4472% (0.90   0.02   0.02) =   1.869%
          HA    LYS+ 121 - HA    THR   39  16.50 +/- 0.58   4.408% *  2.3906% (0.23   0.02   0.02) =   1.831%
          HA    ALA  120 - HA    THR   39  18.27 +/- 0.72   2.411% *  3.4494% (0.33   0.02   0.02) =   1.446%
        T QB    SER   48 - HA    ILE  103  23.00 +/- 0.34   0.598% *  9.1375% (0.87   0.02   0.02) =   0.949%
          HB    THR   94 - HA    THR   39  20.34 +/- 0.24   1.249% *  2.6597% (0.25   0.02   0.02) =   0.577%
        T QB    SER   85 - HA    THR   39  22.75 +/- 0.43   0.640% *  3.1212% (0.30   0.02   0.02) =   0.347%
        T QB    SER  117 - HA    THR   39  19.62 +/- 0.41   1.558% *  1.1871% (0.11   0.02   0.02) =   0.321%
        T HA2   GLY   51 - HA    ILE  103  26.17 +/- 0.16   0.275% *  6.3892% (0.61   0.02   0.02) =   0.306%
        T HD2   PRO   52 - HA    ILE  103  22.73 +/- 0.19   0.640% *  2.6267% (0.25   0.02   0.02) =   0.292%
        T QB    SER   48 - HA    THR   39  26.80 +/- 0.38   0.239% *  3.0188% (0.29   0.02   0.02) =   0.125%
        T HA2   GLY   51 - HA    THR   39  30.66 +/- 0.27   0.106% *  2.1109% (0.20   0.02   0.02) =   0.039%
        T HD2   PRO   52 - HA    THR   39  28.08 +/- 0.23   0.180% *  0.8678% (0.08   0.02   0.02) =   0.027%
    Distance limit 3.19 A violated in 20 structures by 6.85 A, eliminated.
    Peak unassigned.
 
    Peak 3113 (9.38, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.923, support = 6.75, residual support = 38.5:
      O   HN    LEU  104 - HA    ILE  103   2.21 +/- 0.06  99.981% * 99.6442% (0.92   6.75  38.55) = 100.000%  kept
          HN    PHE   72 - HA    THR   39   9.98 +/- 0.44   0.012% *  0.0641% (0.20   0.02   0.02) =   0.000%
          HN    LEU  104 - HA    THR   39  11.21 +/- 0.49   0.006% *  0.0976% (0.30   0.02   0.02) =   0.000%
          HN    PHE   72 - HA    ILE  103  14.26 +/- 0.23   0.001% *  0.1941% (0.61   0.02   0.02) =   0.000%
    Distance limit 2.83 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 = 0.359, support = 3.38, residual support = 33.1:
      O   HN    THR   39 - HA    THR   39   2.92 +/- 0.01  95.037% * 30.3701% (0.33   3.34  34.24) =  90.188%  kept
          HN    LYS+ 102 - HA    ILE  103   4.84 +/- 0.14   4.687% * 66.9870% (0.65   3.73  22.69) =   9.810%  kept
          HN    GLU-  36 - HA    THR   39   8.70 +/- 0.09   0.137% *  0.1532% (0.28   0.02   0.13) =   0.001%
          HN    LYS+ 102 - HA    THR   39   9.68 +/- 1.11   0.090% *  0.1187% (0.21   0.02   0.02) =   0.000%
          HN    THR   39 - HA    ILE  103  12.34 +/- 0.35   0.017% *  0.5504% (0.99   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    ILE  103  12.37 +/- 0.26   0.017% *  0.5540% (1.00   0.02   0.02) =   0.000%
          HN    GLU-  36 - HA    ILE  103  15.35 +/- 0.39   0.005% *  0.4638% (0.84   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    ILE  103  18.25 +/- 0.40   0.002% *  0.2703% (0.49   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    ILE  103  17.02 +/- 0.65   0.003% *  0.1099% (0.20   0.02   0.02) =   0.000%
          HD1   TRP   87 - HA    THR   39  18.55 +/- 0.46   0.001% *  0.1830% (0.33   0.02   0.02) =   0.000%
          HN    TRP   27 - HA    THR   39  18.04 +/- 0.33   0.002% *  0.0893% (0.16   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    ILE  103  18.31 +/- 0.34   0.002% *  0.0857% (0.15   0.02   0.02) =   0.000%
          HN    ALA   61 - HA    THR   39  18.85 +/- 0.41   0.001% *  0.0283% (0.05   0.02   0.02) =   0.000%
          HN    ALA   91 - HA    THR   39  25.47 +/- 0.49   0.000% *  0.0363% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3115 (0.69, 4.28, 62.30 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 3.61, residual support = 29.1:
        T QD1   LEU   98 - HA    ILE  103   2.73 +/- 0.39  99.926% * 98.0645% (0.41   3.61  29.05) = 100.000%  kept
          QD1   LEU   98 - HA    THR   39  10.11 +/- 0.49   0.051% *  0.1797% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   19 - HA    ILE  103  14.17 +/- 0.24   0.007% *  1.3198% (1.00   0.02   0.02) =   0.000%
          QG2   ILE   19 - HA    THR   39  12.30 +/- 0.30   0.016% *  0.4360% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.387, support = 2.88, residual support = 4.72:
          HN    ASP- 105 - QG2   ILE  103   3.08 +/- 0.38  98.460% * 29.8359% (0.38   2.86   4.10) =  96.702%  kept
          HN    LYS+ 102 - QG2   ILE  103   6.41 +/- 0.09   1.438% * 69.6644% (0.73   3.45  22.69) =   3.298%  kept
          HD1   TRP   87 - QG2   ILE  103  10.63 +/- 0.26   0.072% *  0.1100% (0.20   0.02   0.02) =   0.000%
          HN    GLU-  36 - QG2   ILE  103  15.46 +/- 0.32   0.008% *  0.2924% (0.53   0.02   0.02) =   0.000%
          HN    THR   39 - QG2   ILE  103  12.94 +/- 0.26   0.022% *  0.0973% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 6.65, residual support = 38.5:
          HN    LEU  104 - QG2   ILE  103   2.90 +/- 0.36  99.988% * 99.9413% (0.90   6.65  38.55) = 100.000%  kept
          HN    PHE   72 - QG2   ILE  103  13.55 +/- 0.13   0.012% *  0.0587% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 139.1:
      O   HN    ILE  103 - HB    ILE  103   2.08 +/- 0.03  99.998% * 99.4995% (1.00   6.74 139.10) = 100.000%  kept
          HN    GLN   90 - HB    ILE  103  15.39 +/- 0.60   0.001% *  0.2794% (0.95   0.02   0.02) =   0.000%
          HN    GLY  109 - HB    ILE  103  14.79 +/- 0.61   0.001% *  0.1554% (0.53   0.02   0.02) =   0.000%
          HN    SER   82 - HB    ILE  103  19.85 +/- 0.36   0.000% *  0.0657% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 6.08, residual support = 139.1:
      O T HA    ILE  103 - HG12  ILE  103   2.35 +/- 0.22  99.751% * 93.4709% (0.20   6.08 139.10) =  99.998%  kept
          HA    LEU  104 - HG12  ILE  103   6.52 +/- 0.18   0.231% *  0.9428% (0.61   0.02  38.55) =   0.002%
          HA    ASP-  86 - HG12  ILE  103  12.03 +/- 0.47   0.007% *  1.2309% (0.80   0.02   0.02) =   0.000%
          HA    ASP-  44 - HG12  ILE  103  11.51 +/- 0.54   0.008% *  0.5072% (0.33   0.02   0.02) =   0.000%
          HA    SER   85 - HG12  ILE  103  14.05 +/- 0.42   0.003% *  0.4208% (0.27   0.02   0.02) =   0.000%
          HB    THR   77 - HG12  ILE  103  17.46 +/- 0.50   0.001% *  0.4208% (0.27   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG12  ILE  103  24.41 +/- 1.62   0.000% *  1.2309% (0.80   0.02   0.02) =   0.000%
          HA    ALA   12 - HG12  ILE  103  28.42 +/- 2.67   0.000% *  1.2227% (0.79   0.02   0.02) =   0.000%
          HA    MET   11 - HG12  ILE  103  29.63 +/- 3.52   0.000% *  0.5531% (0.36   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3120 (8.62, 1.82, 28.60 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.92, residual support = 139.1:
          HN    ILE  103 - HG12  ILE  103   3.03 +/- 0.18  99.978% * 99.5128% (0.80   6.92 139.10) = 100.000%  kept
          HN    GLN   90 - HG12  ILE  103  14.30 +/- 0.42   0.010% *  0.2719% (0.76   0.02   0.02) =   0.000%
          HN    GLY  109 - HG12  ILE  103  14.37 +/- 0.57   0.010% *  0.1512% (0.42   0.02   0.02) =   0.000%
          HN    SER   82 - HG12  ILE  103  18.05 +/- 0.34   0.002% *  0.0640% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.38 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3121 (1.18, 1.82, 28.60 ppm):
    6 chemical-shift based assignments, quality = 0.581, support = 4.3, residual support = 139.1:
      O T HG13  ILE  103 - HG12  ILE  103   1.75 +/- 0.00  99.989% * 98.4086% (0.58   4.30 139.10) = 100.000%  kept
          QG2   THR   94 - HG12  ILE  103   8.28 +/- 0.30   0.009% *  0.4813% (0.61   0.02   0.02) =   0.000%
          QG2   VAL  107 - HG12  ILE  103  11.23 +/- 0.48   0.001% *  0.1751% (0.22   0.02   0.02) =   0.000%
        T HB3   LEU   71 - HG12  ILE  103  13.69 +/- 0.84   0.000% *  0.1944% (0.25   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HG12  ILE  103  21.65 +/- 0.71   0.000% *  0.5043% (0.64   0.02   0.02) =   0.000%
          HD2   LYS+ 112 - HG12  ILE  103  22.56 +/- 0.94   0.000% *  0.2364% (0.30   0.02   0.02) =   0.000%
    Distance limit 2.59 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 = 0.47, support = 4.75, residual support = 139.1:
      O T QD1   ILE  103 - HG12  ILE  103   2.15 +/- 0.01  90.539% * 29.4828% (0.39   4.62 139.10) =  80.497%  kept
      O T QG2   ILE  103 - HG12  ILE  103   3.15 +/- 0.12   9.316% * 69.4176% (0.80   5.31 139.10) =  19.502%  kept
          QD2   LEU   40 - HG12  ILE  103   6.40 +/- 0.33   0.138% *  0.2481% (0.76   0.02   0.02) =   0.001%
          QD1   LEU   67 - HG12  ILE  103  12.53 +/- 1.51   0.003% *  0.2531% (0.77   0.02   0.02) =   0.000%
        T QD2   LEU   71 - HG12  ILE  103  13.35 +/- 0.68   0.002% *  0.1591% (0.49   0.02   0.02) =   0.000%
          HB    VAL   75 - HG12  ILE  103  13.40 +/- 0.45   0.002% *  0.0984% (0.30   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG12  ILE  103  17.82 +/- 0.61   0.000% *  0.2600% (0.79   0.02   0.02) =   0.000%
          QG2   ILE  119 - HG12  ILE  103  14.71 +/- 0.63   0.001% *  0.0810% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.80 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 = 5.28, residual support = 29.1:
          QD1   LEU   98 - HG12  ILE  103   1.95 +/- 0.23  99.999% * 99.7277% (0.72   5.28  29.05) = 100.000%  kept
          QG2   ILE   19 - HG12  ILE  103  13.83 +/- 0.33   0.001% *  0.2723% (0.52   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.745, support = 4.06, residual support = 139.1:
      O   QD1   ILE  103 - HG13  ILE  103   2.15 +/- 0.01  60.927% * 79.5123% (0.84   3.97 139.10) =  86.376%  kept
      O   QG2   ILE  103 - HG13  ILE  103   2.32 +/- 0.14  39.071% * 19.5567% (0.18   4.66 139.10) =  13.624%  kept
          QG2   ILE  119 - HG13  ILE  103  13.81 +/- 0.53   0.001% *  0.4630% (0.97   0.02   0.02) =   0.000%
          QD2   LEU   71 - HG13  ILE  103  13.45 +/- 0.79   0.001% *  0.3484% (0.73   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HG13  ILE  103  17.02 +/- 0.74   0.000% *  0.1196% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.60 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 = 2.2, residual support = 29.1:
          QD1   LEU   98 - HG13  ILE  103   2.31 +/- 0.49  99.995% * 99.3482% (0.90   2.20  29.05) = 100.000%  kept
          QG2   ILE   19 - HG13  ILE  103  13.71 +/- 0.29   0.005% *  0.6518% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.61 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3126 (7.17, 0.96, 13.94 ppm):
    4 chemical-shift based assignments, quality = 0.548, support = 0.02, residual support = 0.02:
          QD    PHE   59 - QD1   ILE  103  11.57 +/- 0.66  40.887% * 17.5479% (0.45   0.02   0.02) =  35.780%  kept
          HD1   TRP   27 - QD1   ILE  103  11.61 +/- 0.46  39.915% * 17.5479% (0.45   0.02   0.02) =  34.930%  kept
          HE21  GLN   30 - QD1   ILE  103  13.47 +/- 0.86  17.223% * 30.1124% (0.77   0.02   0.02) =  25.863%  kept
          HH2   TRP   49 - QD1   ILE  103  19.20 +/- 0.79   1.975% * 34.7918% (0.89   0.02   0.02) =   3.427%  kept
    Distance limit 4.03 A violated in 20 structures by 5.91 A, eliminated.
    Peak unassigned.
 
    Peak 3127 (7.70, 0.96, 13.94 ppm):
    6 chemical-shift based assignments, quality = 0.512, support = 0.0196, residual support = 0.0196:
          HE3   TRP   87 - QD1   ILE  103   3.95 +/- 0.34  98.242% * 16.9137% (0.52   0.02   0.02) =  97.908%  kept
          HN    TRP   87 - QD1   ILE  103   7.97 +/- 0.40   1.531% * 21.6935% (0.67   0.02   0.02) =   1.957%
          HN    ALA   91 - QD1   ILE  103  11.73 +/- 0.77   0.154% *  6.6512% (0.21   0.02   0.02) =   0.060%
          HD21  ASN   69 - QD1   ILE  103  15.79 +/- 1.36   0.035% * 20.5212% (0.63   0.02   0.02) =   0.043%
          HN    GLN   17 - QD1   ILE  103  17.68 +/- 0.64   0.014% * 25.9142% (0.80   0.02   0.02) =   0.021%
          HN    ALA   61 - QD1   ILE  103  16.12 +/- 0.64   0.024% *  8.3063% (0.26   0.02   0.02) =   0.012%
    Distance limit 3.69 A violated in 9 structures by 0.30 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 = 139.1:
          HN    ILE  103 - QD1   ILE  103   3.31 +/- 0.52  99.729% * 99.4071% (0.92   5.68 139.10) =  99.999%  kept
          HN    GLN   90 - QD1   ILE  103  10.79 +/- 0.68   0.134% *  0.3309% (0.87   0.02   0.02) =   0.000%
          HN    GLY  109 - QD1   ILE  103  10.99 +/- 0.65   0.117% *  0.1841% (0.49   0.02   0.02) =   0.000%
          HN    SER   82 - QD1   ILE  103  14.33 +/- 0.32   0.020% *  0.0779% (0.21   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3129 (4.29, 1.16, 28.60 ppm):
    12 chemical-shift based assignments, quality = 0.726, support = 5.49, residual support = 139.1:
      O   HA    ILE  103 - HG13  ILE  103   2.74 +/- 0.37  99.232% * 96.7398% (0.73   5.49 139.10) =  99.999%  kept
          HA    LEU  104 - HG13  ILE  103   6.40 +/- 0.27   0.681% *  0.1348% (0.28   0.02  38.55) =   0.001%
          HA    ASP-  44 - HG13  ILE  103  10.43 +/- 0.46   0.042% *  0.4349% (0.90   0.02   0.02) =   0.000%
          HA    ASP-  86 - HG13  ILE  103  12.06 +/- 0.57   0.021% *  0.3521% (0.73   0.02   0.02) =   0.000%
          HA    SER   85 - HG13  ILE  103  13.56 +/- 0.58   0.010% *  0.4051% (0.84   0.02   0.02) =   0.000%
          HB    THR   77 - HG13  ILE  103  16.54 +/- 0.51   0.003% *  0.4051% (0.84   0.02   0.02) =   0.000%
          HA    THR   39 - HG13  ILE  103  13.64 +/- 0.41   0.008% *  0.1348% (0.28   0.02   0.02) =   0.000%
          HA    GLU-  79 - HG13  ILE  103  20.45 +/- 0.41   0.001% *  0.1654% (0.34   0.02   0.02) =   0.000%
          HA    GLU-  14 - HG13  ILE  103  24.40 +/- 1.73   0.000% *  0.3137% (0.65   0.02   0.02) =   0.000%
          HA    MET   11 - HG13  ILE  103  29.99 +/- 3.38   0.000% *  0.4477% (0.92   0.02   0.02) =   0.000%
          HA    ALA   12 - HG13  ILE  103  28.63 +/- 2.66   0.000% *  0.3706% (0.76   0.02   0.02) =   0.000%
          HA1   GLY   51 - HG13  ILE  103  23.97 +/- 0.31   0.000% *  0.0960% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 6.23, residual support = 139.1:
          HN    ILE  103 - HG13  ILE  103   4.10 +/- 0.09  99.783% * 99.4592% (1.00   6.23 139.10) = 100.000%  kept
          HN    GLN   90 - HG13  ILE  103  13.27 +/- 0.43   0.090% *  0.3019% (0.95   0.02   0.02) =   0.000%
          HN    GLY  109 - HG13  ILE  103  12.86 +/- 0.57   0.113% *  0.1679% (0.53   0.02   0.02) =   0.000%
          HN    SER   82 - HG13  ILE  103  17.88 +/- 0.34   0.015% *  0.0711% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.13 A, kept.
 
    Peak 3131 (8.60, 0.98, 18.17 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 6.31, residual support = 139.1:
          HN    ILE  103 - QG2   ILE  103   3.51 +/- 0.04  99.812% * 99.2332% (0.69   6.31 139.10) =  99.999%  kept
          HN    GLY  109 - QG2   ILE  103  10.79 +/- 0.47   0.123% *  0.4419% (0.97   0.02   0.02) =   0.001%
          HN    GLN   90 - QG2   ILE  103  12.08 +/- 0.59   0.064% *  0.2229% (0.49   0.02   0.02) =   0.000%
          HE1   HIS   22 - QG2   ILE  103  21.87 +/- 0.41   0.002% *  0.1020% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 22.7:
          HA    LYS+ 102 - HB    ILE  103   4.31 +/- 0.10  99.965% * 98.7630% (0.38   4.77  22.69) = 100.000%  kept
          HA    ALA   20 - HB    ILE  103  21.18 +/- 0.34   0.007% *  1.0186% (0.92   0.02   0.02) =   0.000%
          HA    LEU   71 - HB    ILE  103  16.94 +/- 0.29   0.027% *  0.2184% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 5 structures by 0.21 A, kept.
 
    Peak 3133 (2.98, 1.04, 43.48 ppm):
    5 chemical-shift based assignments, quality = 0.82, support = 4.73, residual support = 17.9:
        T HB2   PHE   97 - HB2   LEU  104   3.37 +/- 0.32  96.718% * 98.7659% (0.82   4.73  17.87) =  99.993%  kept
          QE    LYS+ 106 - HB2   LEU  104   7.91 +/- 1.23   1.085% *  0.3959% (0.78   0.02   0.02) =   0.004%
          QE    LYS+  99 - HB2   LEU  104   6.59 +/- 0.35   2.175% *  0.1101% (0.22   0.02  18.76) =   0.003%
          HB3   PHE   60 - HB2   LEU  104  14.48 +/- 0.73   0.017% *  0.3206% (0.63   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   LEU  104  18.07 +/- 0.50   0.004% *  0.4075% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 6.55, residual support = 39.8:
          HN    ASP- 105 - HB2   LEU  104   2.38 +/- 0.28  99.999% * 99.8790% (0.82   6.55  39.79) = 100.000%  kept
          HN    ALA   88 - HB2   LEU  104  16.47 +/- 0.50   0.001% *  0.1210% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 219.3:
      O   HN    LEU  104 - HB2   LEU  104   2.42 +/- 0.12  99.996% * 99.3469% (0.36   7.38 219.26) = 100.000%  kept
          HN    PHE   72 - HB2   LEU  104  13.18 +/- 0.46   0.004% *  0.6531% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 6.87, residual support = 219.3:
      O   HN    LEU  104 - HB3   LEU  104   3.58 +/- 0.07  99.977% * 99.8091% (0.71   6.87 219.26) = 100.000%  kept
          HN    PHE   72 - HB3   LEU  104  14.53 +/- 0.52   0.023% *  0.1909% (0.46   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3137 (9.38, 1.53, 26.82 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 7.44, residual support = 219.3:
          HN    LEU  104 - HG    LEU  104   2.73 +/- 0.19  99.992% * 99.8236% (0.92   7.44 219.26) = 100.000%  kept
          HN    PHE   72 - HG    LEU  104  13.22 +/- 0.65   0.008% *  0.1764% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 18.8:
          HN    LYS+  99 - HG    LEU  104   3.13 +/- 0.26  97.288% * 96.3289% (0.98   1.50  18.76) =  99.962%  kept
          HE1   HIS  122 - HG    LEU  104   7.45 +/- 3.03   2.706% *  1.3074% (1.00   0.02   0.02) =   0.038%
          HN    GLN   30 - HG    LEU  104  17.70 +/- 0.59   0.003% *  0.5875% (0.45   0.02   0.02) =   0.000%
          HN    ASP-  86 - HG    LEU  104  18.69 +/- 0.38   0.002% *  0.4918% (0.38   0.02   0.02) =   0.000%
          HN    GLU-  14 - HG    LEU  104  22.92 +/- 1.60   0.001% *  1.2844% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 0.389, support = 6.78, residual support = 212.6:
          HN    LEU  104 - QD1   LEU  104   4.00 +/- 0.17  86.123% * 77.8209% (0.40   6.87 219.26) =  96.465%  kept
          HN    PHE   72 - QD1   LEU   73   5.65 +/- 0.18  11.441% * 21.4447% (0.18   4.24  31.68) =   3.531%  kept
          HN    PHE   72 - QD1   LEU   63   8.24 +/- 0.64   1.357% *  0.1012% (0.18   0.02  19.00) =   0.002%
          HN    PHE   72 - QD1   LEU  104  11.06 +/- 0.52   0.199% *  0.5497% (0.96   0.02   0.02) =   0.002%
          HN    LEU  104 - QD1   LEU   63   9.05 +/- 0.40   0.690% *  0.0417% (0.07   0.02   0.02) =   0.000%
          HN    LEU  104 - QD1   LEU   73  11.19 +/- 0.44   0.191% *  0.0417% (0.07   0.02   0.02) =   0.000%
    Distance limit 3.93 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 = 3.37, residual support = 18.8:
        T HB2   LYS+  99 - QD1   LEU  104   2.23 +/- 0.19  99.547% * 97.0570% (0.40   3.37  18.76) =  99.999%  kept
          HB    VAL   43 - QD1   LEU   73   6.00 +/- 0.57   0.359% *  0.1359% (0.09   0.02   8.15) =   0.001%
        T HB    VAL   43 - QD1   LEU  104  10.33 +/- 0.55   0.013% *  0.7379% (0.51   0.02   0.02) =   0.000%
          HB    VAL   43 - QD1   LEU   63   8.19 +/- 0.39   0.045% *  0.1359% (0.09   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   63  10.49 +/- 0.82   0.011% *  0.1062% (0.07   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   73  10.67 +/- 0.63   0.010% *  0.1158% (0.08   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - QD1   LEU   73  11.16 +/- 0.76   0.008% *  0.1062% (0.07   0.02   0.02) =   0.000%
        T HB    ILE   89 - QD1   LEU  104  15.94 +/- 0.48   0.001% *  0.6288% (0.43   0.02   0.02) =   0.000%
          HB    ILE   89 - QD1   LEU   63  12.80 +/- 0.37   0.003% *  0.1158% (0.08   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   73  13.48 +/- 0.34   0.002% *  0.1158% (0.08   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU  104  20.95 +/- 0.68   0.000% *  0.6288% (0.43   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD1   LEU   63  17.28 +/- 0.52   0.001% *  0.1158% (0.08   0.02   0.02) =   0.000%
    Distance limit 2.83 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 = 18.8:
          HB2   LYS+  99 - QD2   LEU  104   2.41 +/- 0.34  97.536% * 97.0073% (0.90   2.00  18.76) =  99.999%  kept
          HB3   GLN   17 - QG2   VAL   18   5.28 +/- 0.53   1.455% *  0.0414% (0.04   0.02  51.08) =   0.001%
          HB2   LYS+  99 - QG1   VAL   41   6.14 +/- 0.66   0.731% *  0.0521% (0.05   0.02   0.02) =   0.000%
        T HB    VAL   43 - QD2   LEU  104  10.48 +/- 0.62   0.019% *  1.0439% (0.97   0.02   0.02) =   0.000%
        T HB    VAL   43 - QG1   VAL   41   7.12 +/- 0.65   0.205% *  0.0561% (0.05   0.02   1.72) =   0.000%
        T HB    VAL   43 - QG2   VAL   18   9.38 +/- 0.67   0.041% *  0.1604% (0.15   0.02   0.02) =   0.000%
          HB2   LYS+  99 - QG2   VAL   18  14.54 +/- 0.73   0.003% *  0.1491% (0.14   0.02   0.02) =   0.000%
          QD    LYS+  81 - QD2   LEU  104  20.62 +/- 0.58   0.000% *  0.9985% (0.92   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG2   VAL   18  15.69 +/- 0.52   0.002% *  0.1534% (0.14   0.02   0.02) =   0.000%
          HB3   GLN   17 - QD2   LEU  104  18.61 +/- 0.81   0.001% *  0.2697% (0.25   0.02   0.02) =   0.000%
          HB3   GLN   17 - QG1   VAL   41  12.95 +/- 0.60   0.006% *  0.0145% (0.01   0.02   0.02) =   0.000%
          QD    LYS+  81 - QG1   VAL   41  17.01 +/- 0.57   0.001% *  0.0536% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.83 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3144 (1.87, 2.23, 47.73 ppm):
    13 chemical-shift based assignments, quality = 0.723, support = 3.1, residual support = 40.5:
      O T HB3   ASP- 105 - HB2   ASP- 105   1.75 +/- 0.00  99.823% * 93.2967% (0.72   3.10  40.54) =  99.999%  kept
          QB    LYS+ 106 - HB2   ASP- 105   5.09 +/- 0.13   0.169% *  0.7718% (0.93   0.02  19.68) =   0.001%
          HB    ILE  103 - HB2   ASP- 105   8.68 +/- 0.27   0.007% *  0.5409% (0.65   0.02   4.10) =   0.000%
          HB    ILE   56 - HB2   ASP- 105  13.64 +/- 0.34   0.000% *  0.6830% (0.82   0.02   0.02) =   0.000%
          HG3   PRO   68 - HB2   ASP- 105  16.77 +/- 2.23   0.000% *  0.5094% (0.61   0.02   0.02) =   0.000%
          HB3   GLN   90 - HB2   ASP- 105  18.65 +/- 0.96   0.000% *  0.7268% (0.87   0.02   0.02) =   0.000%
        T HB2   MET   92 - HB2   ASP- 105  16.10 +/- 0.69   0.000% *  0.2955% (0.36   0.02   0.02) =   0.000%
          HB3   LYS+  38 - HB2   ASP- 105  18.37 +/- 0.51   0.000% *  0.5718% (0.69   0.02   0.02) =   0.000%
          QB    LYS+  33 - HB2   ASP- 105  19.25 +/- 0.40   0.000% *  0.6830% (0.82   0.02   0.02) =   0.000%
          HB3   PRO   58 - HB2   ASP- 105  15.41 +/- 0.34   0.000% *  0.1753% (0.21   0.02   0.02) =   0.000%
          QB    LYS+  81 - HB2   ASP- 105  20.89 +/- 0.39   0.000% *  0.7599% (0.91   0.02   0.02) =   0.000%
          HB3   GLN   30 - HB2   ASP- 105  18.98 +/- 0.36   0.000% *  0.4143% (0.50   0.02   0.02) =   0.000%
          HG2   ARG+  54 - HB2   ASP- 105  21.12 +/- 0.95   0.000% *  0.5718% (0.69   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3145 (0.25, 2.23, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.536, support = 1.5, residual support = 4.62:
        T QG2   THR  118 - HB2   ASP- 105   3.09 +/- 0.15 100.000% *100.0000% (0.54   1.50   4.62) = 100.000%  kept
    Distance limit 3.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3146 (0.25, 1.86, 47.73 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 1.5, residual support = 4.62:
        T QG2   THR  118 - HB3   ASP- 105   3.33 +/- 0.17 100.000% *100.0000% (0.57   1.50   4.62) = 100.000%  kept
    Distance limit 3.52 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3147 (2.98, 2.23, 47.73 ppm):
    5 chemical-shift based assignments, quality = 0.89, support = 4.49, residual support = 53.2:
          HB2   PHE   97 - HB2   ASP- 105   3.90 +/- 0.24  85.701% * 57.6944% (0.89   4.60  57.21) =  89.390%  kept
          QE    LYS+ 106 - HB2   ASP- 105   6.00 +/- 1.06  14.038% * 41.8027% (0.85   3.52  19.68) =  10.609%  kept
          HB3   PHE   60 - HB2   ASP- 105  12.70 +/- 0.81   0.077% *  0.1924% (0.69   0.02   0.02) =   0.000%
          QE    LYS+  99 - HB2   ASP- 105  10.92 +/- 0.42   0.178% *  0.0661% (0.24   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB2   ASP- 105  19.50 +/- 0.38   0.005% *  0.2445% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3148 (3.00, 1.86, 47.73 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.82, residual support = 57.2:
        T HB2   PHE   97 - HB3   ASP- 105   2.69 +/- 0.39  98.157% * 98.2324% (0.87   3.82  57.21) =  99.995%  kept
        T QE    LYS+ 106 - HB3   ASP- 105   6.71 +/- 1.04   1.727% *  0.2438% (0.41   0.02  19.68) =   0.004%
          QE    LYS+  99 - HB3   ASP- 105   9.45 +/- 0.44   0.074% *  0.4306% (0.73   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HB3   ASP- 105  11.45 +/- 0.81   0.027% *  0.1479% (0.25   0.02   0.02) =   0.000%
          HB3   PHE   60 - HB3   ASP- 105  12.34 +/- 0.80   0.013% *  0.1479% (0.25   0.02   0.02) =   0.000%
          HB3   TRP   27 - HB3   ASP- 105  18.59 +/- 0.54   0.001% *  0.5318% (0.90   0.02   0.02) =   0.000%
          QE    LYS+  38 - HB3   ASP- 105  18.00 +/- 0.53   0.001% *  0.2658% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.98 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3149 (4.79, 1.86, 47.73 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 3.0, residual support = 40.5:
      O T HA    ASP- 105 - HB3   ASP- 105   3.04 +/- 0.03  99.999% * 99.0793% (0.87   3.00  40.54) = 100.000%  kept
          HA    LEU   80 - HB3   ASP- 105  22.40 +/- 0.68   0.001% *  0.3414% (0.45   0.02   0.02) =   0.000%
          HB    THR   23 - HB3   ASP- 105  25.28 +/- 0.53   0.000% *  0.4619% (0.61   0.02   0.02) =   0.000%
          HA    THR   23 - HB3   ASP- 105  23.62 +/- 0.56   0.000% *  0.1175% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 4.42, residual support = 40.5:
      O   HN    ASP- 105 - HB3   ASP- 105   2.64 +/- 0.17  99.998% * 99.8210% (0.95   4.42  40.54) = 100.000%  kept
          HN    ALA   88 - HB3   ASP- 105  15.97 +/- 0.63   0.002% *  0.1790% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 3.62, residual support = 19.7:
          HN    LYS+ 106 - HB3   ASP- 105   3.74 +/- 0.15  99.627% * 99.5154% (0.18   3.62  19.68) =  99.998%  kept
          HN    VAL   41 - HB3   ASP- 105   9.54 +/- 0.39   0.373% *  0.4846% (0.15   0.02   0.02) =   0.002%
    Distance limit 3.90 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3152 (7.13, 2.23, 47.73 ppm):
    3 chemical-shift based assignments, quality = 0.873, support = 3.33, residual support = 57.2:
          QD    PHE   97 - HB2   ASP- 105   3.49 +/- 0.26  99.905% * 99.2960% (0.87   3.33  57.21) =  99.999%  kept
          HZ3   TRP   87 - HB2   ASP- 105  11.30 +/- 0.38   0.094% *  0.5602% (0.82   0.02   0.02) =   0.001%
          HE3   TRP   49 - HB2   ASP- 105  23.82 +/- 0.38   0.001% *  0.1438% (0.21   0.02   0.02) =   0.000%
    Distance limit 4.12 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 = 4.66, residual support = 40.5:
      O   HN    ASP- 105 - HB2   ASP- 105   3.72 +/- 0.13  99.983% * 99.8300% (0.89   4.66  40.54) = 100.000%  kept
          HN    ALA   88 - HB2   ASP- 105  15.91 +/- 0.55   0.017% *  0.1700% (0.36   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 3.73, residual support = 19.7:
          HN    LYS+ 106 - HB2   ASP- 105   2.50 +/- 0.07  99.987% * 99.5296% (0.17   3.73  19.68) = 100.000%  kept
          HN    VAL   41 - HB2   ASP- 105  11.13 +/- 0.37   0.013% *  0.4704% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.45 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   3.11 +/- 0.12  99.970% * 99.2524% (0.87   1.15   2.30) = 100.000%  kept
          HA    PHE   72 - HA    LYS+ 106  12.05 +/- 0.24   0.030% *  0.7476% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 4.02, residual support = 12.4:
          QD    PHE   97 - HA    LYS+ 106   3.49 +/- 0.24  99.406% * 99.5857% (0.45   4.02  12.38) =  99.998%  kept
          HZ3   TRP   87 - HA    LYS+ 106   8.37 +/- 0.40   0.594% *  0.4143% (0.38   0.02   0.02) =   0.002%
    Distance limit 3.87 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 = 3.34, residual support = 12.4:
          HN    PHE   97 - HA    LYS+ 106   3.45 +/- 0.14  99.689% * 99.2227% (0.90   3.34  12.38) =  99.998%  kept
          HN    LEU  115 - HA    LYS+ 106   9.32 +/- 0.24   0.269% *  0.5933% (0.90   0.02   0.02) =   0.002%
          HN    ASP- 113 - HA    LYS+ 106  12.74 +/- 0.28   0.041% *  0.1840% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 130.1:
      O   HN    LYS+ 106 - HA    LYS+ 106   2.89 +/- 0.01 100.000% *100.0000% (0.61   5.15 130.11) = 100.000%  kept
    Distance limit 3.57 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 = 20.5:
      O   HN    VAL  107 - HA    LYS+ 106   2.20 +/- 0.02 100.000% * 99.5263% (0.99   4.24  20.46) = 100.000%  kept
          HN    GLY   51 - HA    LYS+ 106  19.13 +/- 0.28   0.000% *  0.4737% (1.00   0.02   0.02) =   0.000%
    Distance limit 2.79 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 = 5.13, residual support = 130.1:
      O   HN    LYS+ 106 - QB    LYS+ 106   3.05 +/- 0.21  99.951% * 99.6578% (0.18   5.13 130.11) = 100.000%  kept
          HN    VAL   41 - QB    LYS+ 106  11.07 +/- 0.32   0.049% *  0.3422% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.56 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 = 4.58, residual support = 20.5:
          HN    VAL  107 - QB    LYS+ 106   3.25 +/- 0.11  99.996% * 99.5611% (0.99   4.58  20.46) = 100.000%  kept
          HN    GLY   51 - QB    LYS+ 106  17.67 +/- 0.36   0.004% *  0.4389% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.78 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 = 5.66, residual support = 130.1:
      O T HG3   LYS+ 106 - QB    LYS+ 106   2.45 +/- 0.06  99.806% * 95.5225% (0.61   5.66 130.11) =  99.999%  kept
        T QB    LEU   98 - QB    LYS+ 106   7.90 +/- 0.46   0.095% *  0.4041% (0.73   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QB    LYS+ 106   9.54 +/- 1.14   0.042% *  0.2288% (0.41   0.02   0.02) =   0.000%
          HB    VAL   42 - QB    LYS+ 106  10.64 +/- 0.35   0.015% *  0.4990% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - QB    LYS+ 106  11.39 +/- 0.93   0.012% *  0.4456% (0.80   0.02   0.02) =   0.000%
          HB3   PRO   93 - QB    LYS+ 106  10.14 +/- 0.31   0.020% *  0.0753% (0.14   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QB    LYS+ 106  13.98 +/- 0.31   0.003% *  0.4041% (0.73   0.02   0.02) =   0.000%
          HB3   LEU   73 - QB    LYS+ 106  14.45 +/- 0.40   0.002% *  0.4648% (0.84   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QB    LYS+ 106  15.44 +/- 0.39   0.002% *  0.2495% (0.45   0.02   0.02) =   0.000%
          HB2   LEU   80 - QB    LYS+ 106  15.70 +/- 0.80   0.002% *  0.1547% (0.28   0.02   0.02) =   0.000%
        T HG3   LYS+  65 - QB    LYS+ 106  18.99 +/- 0.49   0.000% *  0.4990% (0.90   0.02   0.02) =   0.000%
        T HG3   LYS+  33 - QB    LYS+ 106  19.25 +/- 0.33   0.000% *  0.5264% (0.95   0.02   0.02) =   0.000%
          QB    ALA   12 - QB    LYS+ 106  23.68 +/- 1.77   0.000% *  0.5264% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 0.98, support = 0.329, residual support = 0.32:
          QG2   VAL  108 - QB    LYS+ 106   3.63 +/- 0.56  97.429% * 49.9427% (1.00   0.34   0.33) =  98.179%  kept
          HB2   LEU  104 - QB    LYS+ 106   7.49 +/- 0.08   1.899% * 46.7550% (0.98   0.32   0.02) =   1.791%
          QD1   ILE  119 - QB    LYS+ 106  10.07 +/- 0.62   0.635% *  2.2832% (0.76   0.02   0.02) =   0.029%
          HG3   LYS+ 112 - QB    LYS+ 106  14.49 +/- 0.54   0.037% *  1.0191% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.45 A violated in 4 structures by 0.24 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3164 (1.16, 1.87, 37.27 ppm):
    6 chemical-shift based assignments, quality = 0.719, support = 0.0199, residual support = 2.43:
          HG13  ILE  103 - QB    LYS+ 106   4.88 +/- 0.68  27.660% * 32.4723% (1.00   0.02   0.02) =  53.440%  kept
          QG2   THR   94 - QB    LYS+ 106   4.01 +/- 0.35  64.086% *  9.0486% (0.28   0.02   0.02) =  34.502%  kept
          QG2   VAL  107 - QB    LYS+ 106   5.58 +/- 0.05   7.963% * 24.8714% (0.76   0.02  20.46) =  11.784%  kept
          HG2   LYS+ 121 - QB    LYS+ 106  10.17 +/- 0.73   0.246% * 17.1224% (0.53   0.02   0.02) =   0.251%
          HB3   LYS+ 112 - QB    LYS+ 106  14.04 +/- 0.36   0.032% * 10.0448% (0.31   0.02   0.02) =   0.019%
          QB    ALA   20 - QB    LYS+ 106  16.20 +/- 0.27   0.013% *  6.4405% (0.20   0.02   0.02) =   0.005%
    Distance limit 3.61 A violated in 0 structures by 0.06 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3165 (7.32, 1.55, 25.23 ppm):
    18 chemical-shift based assignments, quality = 0.133, support = 4.92, residual support = 101.2:
          HN    LYS+  81 - QG    LYS+  81   2.10 +/- 0.25  99.957% * 82.0598% (0.13   4.92 101.25) =  99.999%  kept
          HE3   TRP   27 - HG2   LYS+  33   9.83 +/- 0.44   0.012% *  2.4582% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - QG    LYS+  81   9.59 +/- 0.39   0.012% *  0.6317% (0.25   0.02   0.02) =   0.000%
          HE3   TRP   27 - QG    LYS+  81  11.41 +/- 0.47   0.005% *  1.1769% (0.47   0.02   0.02) =   0.000%
          QE    PHE   95 - HG2   LYS+ 106  10.85 +/- 0.65   0.007% *  0.8611% (0.34   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+  33  13.61 +/- 0.56   0.002% *  1.3194% (0.53   0.02   0.02) =   0.000%
          HE3   TRP   27 - HG2   LYS+ 106  16.01 +/- 1.46   0.001% *  1.4909% (0.59   0.02   0.02) =   0.000%
          QE    PHE   95 - QG    LYS+  81  14.26 +/- 0.26   0.001% *  0.6798% (0.27   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+ 106  16.90 +/- 0.50   0.000% *  1.4388% (0.57   0.02   0.02) =   0.000%
          QE    PHE   95 - HG2   LYS+  33  17.33 +/- 0.88   0.000% *  1.4198% (0.57   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+  33  15.27 +/- 1.36   0.001% *  0.4963% (0.20   0.02   0.02) =   0.000%
          QD    PHE   55 - QG    LYS+  81  18.51 +/- 0.67   0.000% *  1.1358% (0.45   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+  33  20.63 +/- 0.61   0.000% *  0.6973% (0.28   0.02   0.02) =   0.000%
          HN    LEU   67 - HG2   LYS+ 106  18.15 +/- 0.95   0.000% *  0.3010% (0.12   0.02   0.02) =   0.000%
          QD    PHE   55 - HG2   LYS+  33  25.68 +/- 0.88   0.000% *  2.3723% (0.95   0.02   0.02) =   0.000%
          HN    THR   23 - HG2   LYS+ 106  21.96 +/- 1.42   0.000% *  0.8002% (0.32   0.02   0.02) =   0.000%
          HN    LYS+  81 - HG2   LYS+ 106  20.20 +/- 1.19   0.000% *  0.4229% (0.17   0.02   0.02) =   0.000%
          HN    LEU   67 - QG    LYS+  81  23.68 +/- 0.20   0.000% *  0.2376% (0.09   0.02   0.02) =   0.000%
    Distance limit 3.57 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3166 (8.00, 1.55, 25.23 ppm):
    9 chemical-shift based assignments, quality = 0.271, support = 0.744, residual support = 1.49:
          HN    GLU-  79 - QG    LYS+  81   3.68 +/- 0.17  99.563% * 81.1852% (0.27   0.74   1.49) =  99.989%  kept
          HN    VAL   70 - HG2   LYS+  33  11.38 +/- 1.57   0.157% *  3.9185% (0.49   0.02   0.02) =   0.008%
          HN    THR   94 - HG2   LYS+ 106  11.25 +/- 0.97   0.146% *  0.9662% (0.12   0.02   0.02) =   0.002%
          HN    THR   94 - QG    LYS+  81  11.53 +/- 0.45   0.112% *  0.7628% (0.09   0.02   0.02) =   0.001%
          HN    VAL   70 - HG2   LYS+ 106  17.66 +/- 0.87   0.009% *  2.3765% (0.30   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+  33  20.17 +/- 0.40   0.004% *  4.5577% (0.57   0.02   0.02) =   0.000%
          HN    GLU-  79 - HG2   LYS+ 106  19.97 +/- 1.20   0.004% *  2.7641% (0.34   0.02   0.02) =   0.000%
          HN    THR   94 - HG2   LYS+  33  20.09 +/- 0.76   0.004% *  1.5931% (0.20   0.02   0.02) =   0.000%
          HN    VAL   70 - QG    LYS+  81  23.78 +/- 0.29   0.001% *  1.8761% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3167 (5.66, 1.37, 25.37 ppm):
    4 chemical-shift based assignments, quality = 0.175, support = 5.66, residual support = 130.1:
      O   HA    LYS+ 106 - HG3   LYS+ 106   2.90 +/- 0.34  99.980% * 99.5648% (0.18   5.66 130.11) = 100.000%  kept
          HA    LYS+ 106 - HG3   LYS+ 102  13.01 +/- 0.96   0.017% *  0.0641% (0.03   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  33  20.10 +/- 0.40   0.001% *  0.2235% (0.11   0.02   0.02) =   0.000%
          HA    LYS+ 106 - HG3   LYS+  65  18.90 +/- 0.57   0.002% *  0.1476% (0.07   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 40.9:
        T HB2   PHE   95 - HB    VAL  107   1.74 +/- 0.05 100.000% *100.0000% (0.69   4.31  40.89) = 100.000%  kept
    Distance limit 3.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3169 (1.15, 2.40, 36.05 ppm):
    6 chemical-shift based assignments, quality = 0.72, support = 2.89, residual support = 53.5:
      O T QG2   VAL  107 - HB    VAL  107   2.12 +/- 0.02  99.919% * 98.1982% (0.72   2.89  53.49) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   7.40 +/- 0.55   0.061% *  0.1355% (0.14   0.02   0.02) =   0.000%
          HG13  ILE  103 - HB    VAL  107   9.70 +/- 0.54   0.012% *  0.4429% (0.47   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HB    VAL  107  10.61 +/- 0.69   0.007% *  0.6607% (0.70   0.02   0.02) =   0.000%
          QB    ALA   20 - HB    VAL  107  15.76 +/- 0.33   0.001% *  0.4429% (0.47   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.56 +/- 0.34   0.000% *  0.1199% (0.13   0.02   0.02) =   0.000%
    Distance limit 2.89 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  99.931% * 98.5399% (0.71   3.31  53.49) = 100.000%  kept
          HG13  ILE  119 - HB    VAL  107   7.40 +/- 0.55   0.060% *  0.1351% (0.16   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HB    VAL  107  10.50 +/- 0.93   0.008% *  0.5070% (0.61   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    VAL  107  17.82 +/- 1.10   0.000% *  0.5603% (0.67   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    VAL  107  18.56 +/- 0.34   0.000% *  0.1514% (0.18   0.02   0.02) =   0.000%
        T QG2   VAL   24 - HB    VAL  107  17.79 +/- 0.39   0.000% *  0.1063% (0.13   0.02   0.02) =   0.000%
    Distance limit 2.85 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 = 0.663, support = 0.0197, residual support = 1.0:
          QD1   LEU   63 - HB    VAL  107   5.47 +/- 0.34  54.512% * 18.9779% (0.71   0.02   0.02) =  60.084%  kept
          QD2   LEU  115 - HB    VAL  107   6.06 +/- 0.42  30.822% * 17.8728% (0.67   0.02   3.08) =  31.994%  kept
          QD2   LEU   63 - HB    VAL  107   7.03 +/- 0.41  13.002% *  8.6803% (0.33   0.02   0.02) =   6.555%  kept
          QD1   LEU  104 - HB    VAL  107  10.47 +/- 0.35   1.129% * 13.2994% (0.50   0.02   0.02) =   0.872%
          QD1   LEU   73 - HB    VAL  107  12.96 +/- 0.42   0.322% * 18.9779% (0.71   0.02   0.02) =   0.355%
          QD2   LEU   80 - HB    VAL  107  15.44 +/- 0.66   0.110% * 17.3638% (0.65   0.02   0.02) =   0.111%
          QG1   VAL   83 - HB    VAL  107  15.79 +/- 0.71   0.104% *  4.8278% (0.18   0.02   0.02) =   0.029%
    Distance limit 3.98 A violated in 20 structures by 0.96 A, eliminated.
    Peak unassigned.
 
    Peak 3173 (7.03, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.63, support = 3.86, residual support = 40.9:
          QD    PHE   95 - HB    VAL  107   2.19 +/- 0.29  99.998% * 99.8340% (0.63   3.86  40.89) = 100.000%  kept
          HN    ALA   47 - HB    VAL  107  13.41 +/- 0.36   0.002% *  0.1660% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3174 (7.15, 2.40, 36.05 ppm):
    2 chemical-shift based assignments, quality = 0.324, support = 0.0199, residual support = 0.747:
          QD    PHE   97 - HB    VAL  107   4.73 +/- 0.23  99.555% * 54.4328% (0.33   0.02   0.75) =  99.627%  kept
          HZ3   TRP   87 - HB    VAL  107  11.72 +/- 0.47   0.445% * 45.5672% (0.27   0.02   0.02) =   0.373%
    Distance limit 3.80 A violated in 20 structures by 0.92 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   2.51 +/- 0.09  99.999% * 99.3983% (0.72   3.33  53.49) = 100.000%  kept
          HN    GLY   51 - HB    VAL  107  16.08 +/- 0.39   0.001% *  0.6017% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3176 (9.86, 2.40, 36.05 ppm):
    1 chemical-shift based assignment, quality = 0.47, support = 3.25, residual support = 40.9:
          HN    PHE   95 - HB    VAL  107   3.05 +/- 0.34 100.000% *100.0000% (0.47   3.25  40.89) = 100.000%  kept
    Distance limit 4.18 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3177 (1.15, 1.09, 22.46 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 3.21, residual support = 53.5:
      O   QG2   VAL  107 - QG1   VAL  107   2.03 +/- 0.06  99.646% * 97.8493% (0.99   3.21  53.49) =  99.999%  kept
          HG2   LYS+ 121 - QG1   VAL  107   7.20 +/- 0.59   0.061% *  0.5942% (0.97   0.02   0.02) =   0.000%
        T HG13  ILE  119 - QG1   VAL  107   5.74 +/- 0.43   0.222% *  0.1219% (0.20   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG1   VAL  107   8.54 +/- 0.43   0.019% *  0.3983% (0.65   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   VAL   24   7.43 +/- 0.30   0.044% *  0.0256% (0.04   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   VAL   24  10.41 +/- 0.08   0.006% *  0.0947% (0.15   0.02   0.02) =   0.000%
          QB    ALA   20 - QG1   VAL  107  14.58 +/- 0.36   0.001% *  0.3983% (0.65   0.02   0.02) =   0.000%
          HG13  ILE  103 - QG2   VAL   24  13.96 +/- 0.52   0.001% *  0.0947% (0.15   0.02   0.02) =   0.000%
          QG2   VAL  107 - QG2   VAL   24  15.92 +/- 0.36   0.000% *  0.1450% (0.24   0.02   0.02) =   0.000%
        T HB3   LEU   31 - QG1   VAL  107  16.70 +/- 0.38   0.000% *  0.1078% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QG2   VAL   24  23.82 +/- 0.63   0.000% *  0.1412% (0.23   0.02   0.02) =   0.000%
          HG13  ILE  119 - QG2   VAL   24  20.93 +/- 0.60   0.000% *  0.0290% (0.05   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3178 (2.39, 1.09, 22.46 ppm):
    14 chemical-shift based assignments, quality = 0.647, support = 3.31, residual support = 53.5:
      O T HB    VAL  107 - QG1   VAL  107   2.12 +/- 0.01  99.689% * 96.7798% (0.65   3.31  53.49) =  99.999%  kept
          HB2   GLN  116 - QG1   VAL  107   6.56 +/- 0.21   0.116% *  0.1582% (0.18   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG2   VAL   24   7.22 +/- 0.77   0.080% *  0.1793% (0.20   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QG1   VAL  107   7.54 +/- 0.31   0.051% *  0.2252% (0.25   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL   24   8.21 +/- 1.30   0.052% *  0.2142% (0.24   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG1   VAL  107  10.90 +/- 0.24   0.005% *  0.2252% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG1   VAL  107  17.12 +/- 0.68   0.000% *  0.7545% (0.84   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL   24  11.24 +/- 0.41   0.005% *  0.0535% (0.06   0.02   0.02) =   0.000%
          QG    GLN   32 - QG1   VAL  107  19.17 +/- 0.69   0.000% *  0.9013% (1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG1   VAL  107  15.61 +/- 0.66   0.001% *  0.2252% (0.25   0.02   0.02) =   0.000%
        T HB    VAL  107 - QG2   VAL   24  17.79 +/- 0.39   0.000% *  0.1389% (0.15   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL   24  17.29 +/- 0.66   0.000% *  0.0535% (0.06   0.02   0.02) =   0.000%
        T QE    LYS+ 112 - QG2   VAL   24  20.92 +/- 0.50   0.000% *  0.0535% (0.06   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG2   VAL   24  25.44 +/- 0.44   0.000% *  0.0376% (0.04   0.02   0.02) =   0.000%
    Distance limit 2.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3179 (2.39, 1.15, 21.16 ppm):
    7 chemical-shift based assignments, quality = 0.647, support = 2.89, residual support = 53.5:
      O T HB    VAL  107 - QG2   VAL  107   2.12 +/- 0.02  99.747% * 97.1402% (0.65   2.89  53.49) =  99.999%  kept
        T QE    LYS+ 112 - QG2   VAL  107   6.39 +/- 0.19   0.136% *  0.2587% (0.25   0.02   0.02) =   0.000%
          HB2   GLN  116 - QG2   VAL  107   6.70 +/- 0.16   0.101% *  0.1817% (0.18   0.02   0.02) =   0.000%
          HB3   PHE   45 - QG2   VAL  107   9.28 +/- 0.28   0.015% *  0.2587% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  79 - QG2   VAL  107  15.84 +/- 0.66   0.001% *  0.8667% (0.84   0.02   0.02) =   0.000%
          QG    GLN   32 - QG2   VAL  107  19.68 +/- 0.70   0.000% *  1.0353% (1.00   0.02   0.02) =   0.000%
          HB2   GLU- 100 - QG2   VAL  107  17.59 +/- 0.59   0.000% *  0.2587% (0.25   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3180 (2.01, 1.15, 21.16 ppm):
    12 chemical-shift based assignments, quality = 0.691, support = 0.748, residual support = 3.39:
        T QB    GLU- 114 - QG2   VAL  107   2.73 +/- 0.49  90.671% * 36.5980% (0.65   0.75   3.85) =  87.295%  kept
          HB2   LYS+ 111 - QG2   VAL  107   4.28 +/- 0.54   8.831% * 54.6766% (0.99   0.73   0.26) =  12.702%  kept
        T HB    ILE  119 - QG2   VAL  107   7.05 +/- 0.38   0.479% *  0.2642% (0.18   0.02   0.02) =   0.003%
          HB2   GLN   17 - QG2   VAL  107  16.11 +/- 0.43   0.003% *  1.5086% (1.00   0.02   0.02) =   0.000%
          HB    ILE   19 - QG2   VAL  107  15.20 +/- 0.19   0.004% *  0.8541% (0.57   0.02   0.02) =   0.000%
          QB    GLU-  15 - QG2   VAL  107  17.45 +/- 0.61   0.002% *  1.5086% (1.00   0.02   0.02) =   0.000%
          HB3   PRO   68 - QG2   VAL  107  17.09 +/- 0.83   0.002% *  1.2080% (0.80   0.02   0.02) =   0.000%
          HG2   PRO   68 - QG2   VAL  107  16.18 +/- 1.25   0.003% *  0.7343% (0.49   0.02   0.02) =   0.000%
          HG3   GLN   30 - QG2   VAL  107  18.16 +/- 0.53   0.001% *  0.6202% (0.41   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QG2   VAL  107  22.30 +/- 0.30   0.000% *  1.4271% (0.95   0.02   0.02) =   0.000%
          HB2   GLN   30 - QG2   VAL  107  16.99 +/- 0.36   0.002% *  0.2642% (0.18   0.02   0.02) =   0.000%
          HB3   GLU- 100 - QG2   VAL  107  18.49 +/- 0.29   0.001% *  0.3359% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.96 A violated in 0 structures by 0.04 A, kept.
 
    Peak 3181 (0.59, 1.09, 22.46 ppm):
    14 chemical-shift based assignments, quality = 0.36, support = 1.41, residual support = 4.92:
        T QG1   VAL   83 - QG2   VAL   24   2.40 +/- 0.47  84.930% *  3.5975% (0.06   1.05   2.21) =  40.632%  kept
          QD2   LEU  115 - QG1   VAL  107   4.46 +/- 0.31   3.469% * 64.3232% (0.92   1.21   3.08) =  29.678%  kept
          QD2   LEU   80 - QG2   VAL   24   3.71 +/- 0.45   8.450% * 26.0757% (0.21   2.12  10.62) =  29.302%  kept
        T QD1   LEU   63 - QG1   VAL  107   4.80 +/- 0.41   2.150% *  1.1324% (0.98   0.02   0.02) =   0.324%
        T QD2   LEU   63 - QG1   VAL  107   5.73 +/- 0.50   0.687% *  0.5179% (0.45   0.02   0.02) =   0.047%
        T QD1   LEU   73 - QG2   VAL   24   6.92 +/- 0.22   0.230% *  0.2691% (0.23   0.02   0.02) =   0.008%
        T QD1   LEU  104 - QG1   VAL  107   8.34 +/- 0.27   0.065% *  0.7935% (0.69   0.02   0.02) =   0.007%
        T QD1   LEU   73 - QG1   VAL  107  12.02 +/- 0.42   0.008% *  1.1324% (0.98   0.02   0.02) =   0.001%
          QD2   LEU   80 - QG1   VAL  107  14.46 +/- 0.57   0.003% *  1.0360% (0.90   0.02   0.02) =   0.000%
        T QG1   VAL   83 - QG1   VAL  107  14.60 +/- 0.56   0.003% *  0.2881% (0.25   0.02   0.02) =   0.000%
        T QD1   LEU   63 - QG2   VAL   24  15.09 +/- 0.44   0.002% *  0.2691% (0.23   0.02   0.02) =   0.000%
        T QD1   LEU  104 - QG2   VAL   24  15.59 +/- 0.65   0.002% *  0.1886% (0.16   0.02   0.02) =   0.000%
          QD2   LEU  115 - QG2   VAL   24  18.65 +/- 0.48   0.001% *  0.2534% (0.22   0.02   0.02) =   0.000%
        T QD2   LEU   63 - QG2   VAL   24  16.51 +/- 0.49   0.001% *  0.1231% (0.11   0.02   0.02) =   0.000%
    Distance limit 2.87 A violated in 1 structures by 0.03 A, kept.
 
    Peak 3182 (0.46, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.373, support = 0.0199, residual support = 3.07:
          QD1   LEU  115 - QG2   VAL  107   4.04 +/- 0.14  99.652% * 39.8646% (0.38   0.02   3.08) =  99.475%  kept
          QG1   VAL   75 - QG2   VAL  107  10.58 +/- 0.59   0.348% * 60.1354% (0.57   0.02   0.02) =   0.525%
    Distance limit 3.65 A violated in 15 structures by 0.40 A, eliminated.
    Peak unassigned.
 
    Peak 3183 (0.70, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.874, support = 0.02, residual support = 0.02:
          QD1   LEU   98 - QG2   VAL  107   9.14 +/- 0.91  87.645% * 58.0948% (0.90   0.02   0.02) =  90.771%  kept
          QG2   ILE   19 - QG2   VAL  107  12.85 +/- 0.20  12.355% * 41.9052% (0.65   0.02   0.02) =   9.229%  kept
    Distance limit 3.32 A violated in 20 structures by 5.61 A, eliminated.
    Peak unassigned.
 
    Peak 3184 (4.50, 1.15, 21.16 ppm):
    5 chemical-shift based assignments, quality = 0.448, support = 3.31, residual support = 53.5:
      O T HA    VAL  107 - QG2   VAL  107   2.54 +/- 0.06  98.507% * 96.5537% (0.45   3.31  53.49) =  99.993%  kept
          HA    LYS+ 111 - QG2   VAL  107   5.18 +/- 0.27   1.435% *  0.4435% (0.34   0.02   0.26) =   0.007%
          HA    PRO   52 - QG2   VAL  107   9.61 +/- 0.31   0.034% *  1.1279% (0.87   0.02   0.02) =   0.000%
          HA    ALA   91 - QG2   VAL  107  10.57 +/- 0.74   0.023% *  0.7887% (0.61   0.02   0.02) =   0.000%
          HA    TRP   27 - QG2   VAL  107  16.47 +/- 0.21   0.001% *  1.0861% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3185 (2.07, 1.09, 22.46 ppm):
    20 chemical-shift based assignments, quality = 0.425, support = 0.0194, residual support = 5.32:
          HB    VAL  108 - QG1   VAL  107   5.98 +/- 0.16  47.332% *  6.8470% (0.45   0.02   9.35) =  56.749%  kept
        T HB    ILE  119 - QG1   VAL  107   6.15 +/- 0.25  40.391% *  3.8082% (0.25   0.02   0.02) =  26.934%  kept
          HB2   PRO   93 - QG1   VAL  107   9.04 +/- 0.18   3.988% * 12.7564% (0.84   0.02   0.02) =   8.908%  kept
          HG2   PRO   58 - QG1   VAL  107   9.73 +/- 0.39   2.619% *  9.8797% (0.65   0.02   0.02) =   4.532%  kept
          HG3   PRO   52 - QG1   VAL  107  11.75 +/- 0.49   0.848% *  9.8797% (0.65   0.02   0.02) =   1.466%
          HB2   GLN   30 - QG2   VAL   24   9.22 +/- 0.45   3.707% *  0.9050% (0.06   0.02   0.02) =   0.587%
          HB2   ARG+  54 - QG1   VAL  107  14.00 +/- 0.29   0.288% *  8.0351% (0.53   0.02   0.02) =   0.405%
          HB2   GLN   30 - QG1   VAL  107  16.78 +/- 0.50   0.098% *  3.8082% (0.25   0.02   0.02) =   0.065%
          HB2   PRO   93 - QG2   VAL   24  16.39 +/- 0.54   0.115% *  3.0316% (0.20   0.02   0.02) =   0.061%
          HB2   GLU-  14 - QG2   VAL   24  16.76 +/- 2.00   0.125% *  2.6356% (0.17   0.02   0.02) =   0.058%
          HB3   GLU- 100 - QG1   VAL  107  16.59 +/- 0.33   0.106% *  3.0224% (0.20   0.02   0.02) =   0.056%
          HB2   GLU-  14 - QG1   VAL  107  20.91 +/- 1.45   0.028% * 11.0899% (0.73   0.02   0.02) =   0.055%
          HG2   MET   11 - QG2   VAL   24  20.78 +/- 4.13   0.096% *  2.7738% (0.18   0.02   0.02) =   0.047%
          HG3   PRO   52 - QG2   VAL   24  18.67 +/- 0.75   0.053% *  2.3479% (0.15   0.02   0.02) =   0.022%
          HB    VAL  108 - QG2   VAL   24  18.66 +/- 1.21   0.058% *  1.6272% (0.11   0.02   0.02) =   0.016%
          HG2   MET   11 - QG1   VAL  107  27.42 +/- 2.22   0.006% * 11.6715% (0.76   0.02   0.02) =   0.012%
          HB3   GLU- 100 - QG2   VAL   24  17.03 +/- 1.02   0.095% *  0.7183% (0.05   0.02   0.02) =   0.012%
          HG2   PRO   58 - QG2   VAL   24  22.81 +/- 0.38   0.016% *  2.3479% (0.15   0.02   0.02) =   0.006%
          HB2   ARG+  54 - QG2   VAL   24  22.92 +/- 0.75   0.015% *  1.9096% (0.13   0.02   0.02) =   0.005%
          HB    ILE  119 - QG2   VAL   24  23.14 +/- 0.47   0.014% *  0.9050% (0.06   0.02   0.02) =   0.002%
    Distance limit 3.34 A violated in 20 structures by 1.99 A, eliminated.
    Peak unassigned.
 
    Peak 3186 (4.14, 1.09, 22.46 ppm):
    16 chemical-shift based assignments, quality = 0.898, support = 1.35, residual support = 3.13:
          HA    LEU  115 - QG1   VAL  107   2.17 +/- 0.22  94.723% * 39.4155% (0.90   1.32   3.08) =  94.377%  kept
          HA    GLU- 114 - QG1   VAL  107   3.96 +/- 0.34   3.901% * 56.9784% (0.92   1.86   3.85) =   5.618%  kept
          HA    ASN   28 - QG2   VAL   24   4.58 +/- 0.32   1.210% *  0.1370% (0.21   0.02  13.25) =   0.004%
          HA    THR   26 - QG2   VAL   24   6.44 +/- 0.08   0.155% *  0.0958% (0.14   0.02   2.64) =   0.000%
          HA1   GLY  101 - QG1   VAL  107  14.63 +/- 0.52   0.001% *  0.6585% (0.99   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG1   VAL  107  13.24 +/- 0.32   0.002% *  0.2266% (0.34   0.02   0.02) =   0.000%
          HA    ALA   34 - QG2   VAL   24  12.91 +/- 0.29   0.002% *  0.1548% (0.23   0.02   0.02) =   0.000%
          HA    ALA  124 - QG1   VAL  107  13.50 +/- 0.38   0.002% *  0.1657% (0.25   0.02   0.02) =   0.000%
          HA    ALA   34 - QG1   VAL  107  16.88 +/- 0.23   0.000% *  0.6513% (0.98   0.02   0.02) =   0.000%
          HA1   GLY  101 - QG2   VAL   24  14.00 +/- 1.79   0.002% *  0.1565% (0.24   0.02   0.02) =   0.000%
          HA    ASN   28 - QG1   VAL  107  18.15 +/- 0.45   0.000% *  0.5763% (0.87   0.02   0.02) =   0.000%
          HA    THR   26 - QG1   VAL  107  20.68 +/- 0.34   0.000% *  0.4030% (0.61   0.02   0.02) =   0.000%
          HA    LEU  115 - QG2   VAL   24  20.81 +/- 0.45   0.000% *  0.1416% (0.21   0.02   0.02) =   0.000%
          HA    GLU- 114 - QG2   VAL   24  23.44 +/- 0.47   0.000% *  0.1458% (0.22   0.02   0.02) =   0.000%
          HA    ARG+  54 - QG2   VAL   24  21.32 +/- 0.61   0.000% *  0.0539% (0.08   0.02   0.02) =   0.000%
          HA    ALA  124 - QG2   VAL   24  27.31 +/- 0.84   0.000% *  0.0394% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3187 (4.50, 1.09, 22.46 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 3.63, residual support = 53.5:
      O T HA    VAL  107 - QG1   VAL  107   2.17 +/- 0.06  99.592% * 96.0068% (0.45   3.63  53.49) =  99.999%  kept
          HA    TRP   27 - QG2   VAL   24   5.69 +/- 0.16   0.313% *  0.2340% (0.20   0.02  24.57) =   0.001%
          HA    LYS+ 111 - QG1   VAL  107   7.05 +/- 0.22   0.087% *  0.4022% (0.34   0.02   0.26) =   0.000%
          HA    PRO   52 - QG1   VAL  107  12.08 +/- 0.35   0.003% *  1.0227% (0.87   0.02   0.02) =   0.000%
          HA    ALA   91 - QG1   VAL  107  12.73 +/- 0.71   0.003% *  0.7151% (0.61   0.02   0.02) =   0.000%
          HA    TRP   27 - QG1   VAL  107  16.76 +/- 0.31   0.000% *  0.9848% (0.84   0.02   0.02) =   0.000%
          HA    ALA   91 - QG2   VAL   24  15.48 +/- 0.70   0.001% *  0.1700% (0.14   0.02   0.02) =   0.000%
        T HA    VAL  107 - QG2   VAL   24  18.85 +/- 0.53   0.000% *  0.1256% (0.11   0.02   0.02) =   0.000%
          HA    PRO   52 - QG2   VAL   24  21.26 +/- 0.42   0.000% *  0.2431% (0.21   0.02   0.02) =   0.000%
          HA    LYS+ 111 - QG2   VAL   24  22.96 +/- 0.36   0.000% *  0.0956% (0.08   0.02   0.02) =   0.000%
    Distance limit 2.90 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3188 (7.17, 1.09, 22.46 ppm):
    8 chemical-shift based assignments, quality = 0.13, support = 2.53, residual support = 23.7:
          HD1   TRP   27 - QG2   VAL   24   2.53 +/- 0.24  95.340% * 49.3629% (0.12   2.61  24.57) =  96.151%  kept
          QD    PHE   59 - QG1   VAL  107   4.41 +/- 0.35   4.550% * 41.3924% (0.49   0.52   1.42) =   3.847%  kept
          HE21  GLN   30 - QG2   VAL   24   8.64 +/- 1.55   0.102% *  0.6483% (0.20   0.02   0.02) =   0.001%
          HH2   TRP   49 - QG1   VAL  107  14.16 +/- 0.60   0.004% *  3.1519% (0.97   0.02   0.02) =   0.000%
          HE21  GLN   30 - QG1   VAL  107  16.10 +/- 0.65   0.002% *  2.7279% (0.84   0.02   0.02) =   0.000%
          HD1   TRP   27 - QG1   VAL  107  17.15 +/- 0.40   0.001% *  1.5897% (0.49   0.02   0.02) =   0.000%
          QD    PHE   59 - QG2   VAL   24  16.69 +/- 0.44   0.001% *  0.3778% (0.12   0.02   0.02) =   0.000%
          HH2   TRP   49 - QG2   VAL   24  21.14 +/- 0.42   0.000% *  0.7491% (0.23   0.02   0.02) =   0.000%
    Distance limit 3.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3189 (7.02, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.946, support = 2.95, residual support = 40.9:
          QD    PHE   95 - QG2   VAL  107   1.97 +/- 0.14  99.984% * 99.3322% (0.95   2.95  40.89) = 100.000%  kept
          HN    ALA   47 - QG2   VAL  107  10.78 +/- 0.26   0.004% *  0.5433% (0.76   0.02   0.02) =   0.000%
          QE    PHE   72 - QG2   VAL  107   9.08 +/- 0.44   0.012% *  0.1245% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3190 (8.40, 1.15, 21.16 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 0.75, residual support = 3.08:
          HN    LEU  115 - QG2   VAL  107   2.92 +/- 0.21  97.805% * 96.6245% (0.90   0.75   3.08) =  99.975%  kept
          HN    ASP- 113 - QG2   VAL  107   5.70 +/- 0.19   1.865% *  0.7988% (0.28   0.02   0.02) =   0.016%
          HN    PHE   97 - QG2   VAL  107   7.65 +/- 0.21   0.330% *  2.5767% (0.90   0.02   0.75) =   0.009%
    Distance limit 3.86 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3191 (9.15, 1.15, 21.16 ppm):
    2 chemical-shift based assignments, quality = 0.566, support = 2.97, residual support = 9.35:
          HN    VAL  108 - QG2   VAL  107   2.92 +/- 0.16  99.854% * 99.1884% (0.57   2.97   9.35) =  99.999%  kept
          HN    VAL   43 - QG2   VAL  107   8.77 +/- 0.22   0.146% *  0.8116% (0.69   0.02   0.02) =   0.001%
    Distance limit 3.42 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3192 (9.57, 1.09, 22.46 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 3.52, residual support = 53.5:
          HN    VAL  107 - QG1   VAL  107   3.12 +/- 0.12  99.985% * 99.1635% (0.99   3.52  53.49) = 100.000%  kept
          HN    GLY   51 - QG1   VAL  107  14.92 +/- 0.32   0.008% *  0.5678% (1.00   0.02   0.02) =   0.000%
          HN    VAL  107 - QG2   VAL   24  16.65 +/- 0.49   0.005% *  0.1337% (0.24   0.02   0.02) =   0.000%
          HN    GLY   51 - QG2   VAL   24  19.18 +/- 0.44   0.002% *  0.1349% (0.24   0.02   0.02) =   0.000%
    Distance limit 3.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3193 (9.18, 1.09, 22.46 ppm):
    2 chemical-shift based assignments, quality = 0.67, support = 0.0195, residual support = 0.0195:
          HN    VAL   43 - QG1   VAL  107   8.28 +/- 0.24  90.493% * 80.7980% (0.69   0.02   0.02) =  97.564%  kept
          HN    VAL   43 - QG2   VAL   24  12.13 +/- 0.42   9.507% * 19.2020% (0.16   0.02   0.02) =   2.436%
    Distance limit 3.50 A violated in 20 structures by 4.78 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 = 6.44:
      O   HN    ALA  110 - HA2   GLY  109   2.84 +/- 0.20  99.947% * 99.1246% (0.99   2.20   6.44) = 100.000%  kept
          HN    PHE   45 - HA2   GLY  109  10.03 +/- 0.42   0.053% *  0.8754% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 9.42:
      O   HN    GLY  109 - HA2   GLY  109   2.79 +/- 0.13  99.898% * 96.3959% (0.53   2.20   9.42) =  99.998%  kept
          HN    GLN   90 - HA2   GLY  109   9.28 +/- 1.04   0.100% *  1.5721% (0.95   0.02   0.02) =   0.002%
          HN    ILE  103 - HA2   GLY  109  18.83 +/- 0.48   0.001% *  1.6619% (1.00   0.02   0.02) =   0.000%
          HN    SER   82 - HA2   GLY  109  19.46 +/- 0.69   0.001% *  0.3700% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.48 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   2.47 +/- 0.22  99.990% * 99.3590% (0.57   3.76  60.45) = 100.000%  kept
          HN    VAL   43 - HB    VAL  108  12.79 +/- 0.82   0.010% *  0.6410% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.20 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 = 7.31:
          HN    GLY  109 - QG1   VAL  108   2.33 +/- 0.25  98.301% * 89.7984% (0.14   3.09   7.31) =  99.928%  kept
          HN    GLN   90 - QG1   VAL  108   6.03 +/- 1.45   1.693% *  3.7235% (0.87   0.02   0.02) =   0.071%
          HN    ILE  103 - QG1   VAL  108  13.16 +/- 0.68   0.005% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    SER   82 - QG1   VAL  108  14.43 +/- 1.04   0.002% *  2.9486% (0.69   0.02   0.02) =   0.000%
          HN    GLY   16 - QG1   VAL  108  20.95 +/- 0.89   0.000% *  0.5809% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.62 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   3.74 +/- 0.09  99.797% * 99.4251% (0.57   4.20  60.45) =  99.999%  kept
          HN    VAL   43 - QG1   VAL  108  10.72 +/- 0.81   0.203% *  0.5749% (0.69   0.02   0.02) =   0.001%
    Distance limit 4.12 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   2.54 +/- 0.26  99.957% * 99.3590% (0.57   3.76  60.45) = 100.000%  kept
          HN    VAL   43 - QG2   VAL  108   9.58 +/- 0.92   0.043% *  0.6410% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.775, support = 0.0196, residual support = 0.0196:
          HN    SER  117 - QG2   VAL  108  10.23 +/- 0.43  88.006% * 32.6470% (0.80   0.02   0.02) =  89.019%  kept
          HN    SER   82 - QG2   VAL  108  14.92 +/- 0.96  10.364% * 28.0060% (0.69   0.02   0.02) =   8.993%  kept
          HN    GLY   16 - QG2   VAL  108  20.18 +/- 0.97   1.631% * 39.3470% (0.97   0.02   0.02) =   1.988%
    Distance limit 4.33 A violated in 20 structures by 5.71 A, eliminated.
    Peak unassigned.
 
    Peak 3201 (5.58, 0.89, 21.81 ppm):
    1 chemical-shift based assignment, quality = 0.764, support = 0.02, residual support = 0.02:
          HA    LEU   73 - QG1   VAL  108  15.30 +/- 0.89 100.000% *100.0000% (0.76   0.02   0.02) = 100.000%  kept
    Distance limit 3.87 A violated in 20 structures by 11.43 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 = 0.326:
          HA    LYS+ 106 - QG2   VAL  108   5.09 +/- 0.68 100.000% *100.0000% (0.28   0.02   0.33) = 100.000%  kept
    Distance limit 4.03 A violated in 20 structures by 1.06 A, eliminated.
    Peak unassigned.
 
    Peak 3203 (1.35, 1.53, 33.52 ppm):
    14 chemical-shift based assignments, quality = 0.687, support = 6.2, residual support = 313.4:
      O   HG2   LYS+ 111 - HB3   LYS+ 111   2.31 +/- 0.06  99.707% * 96.1849% (0.69   6.20 313.41) =  99.999%  kept
          HB3   PRO   93 - HB3   LYS+ 111   7.73 +/- 0.57   0.078% *  0.3618% (0.80   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HB3   LYS+ 111   6.58 +/- 0.22   0.199% *  0.0791% (0.18   0.02  25.46) =   0.000%
          HB3   ASP-  44 - HB3   LYS+ 111  12.57 +/- 0.64   0.004% *  0.4509% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+ 111  13.54 +/- 0.28   0.003% *  0.4361% (0.97   0.02   0.02) =   0.000%
          QB    ALA   84 - HB3   LYS+ 111  14.36 +/- 0.42   0.002% *  0.3774% (0.84   0.02   0.02) =   0.000%
        T HG3   LYS+ 106 - HB3   LYS+ 111  11.88 +/- 0.28   0.006% *  0.1127% (0.25   0.02   0.02) =   0.000%
          HG    LEU   98 - HB3   LYS+ 111  17.42 +/- 1.00   0.001% *  0.4171% (0.92   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+ 111  18.42 +/- 0.77   0.000% *  0.4429% (0.98   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+ 111  21.05 +/- 1.36   0.000% *  0.4053% (0.90   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HB3   LYS+ 111  22.23 +/- 0.45   0.000% *  0.1858% (0.41   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+ 111  25.27 +/- 0.43   0.000% *  0.3453% (0.76   0.02   0.02) =   0.000%
        T HG3   LYS+ 102 - HB3   LYS+ 111  22.45 +/- 1.14   0.000% *  0.0612% (0.14   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HB3   LYS+ 111  29.22 +/- 0.40   0.000% *  0.1395% (0.31   0.02   0.02) =   0.000%
    Distance limit 2.98 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 = 0.742, support = 0.438, residual support = 1.49:
          QG2   VAL  107 - HB3   LYS+ 111   3.34 +/- 0.18  98.134% * 14.8523% (0.76   0.27   0.26) =  95.071%  kept
          HB3   LYS+ 112 - HB3   LYS+ 111   7.34 +/- 0.22   0.914% * 82.2668% (0.31   3.70  25.46) =   4.902%  kept
          QG2   THR   94 - HB3   LYS+ 111   7.37 +/- 0.35   0.916% *  0.4005% (0.28   0.02   0.02) =   0.024%
          HG13  ILE  103 - HB3   LYS+ 111  15.15 +/- 0.48   0.012% *  1.4374% (1.00   0.02   0.02) =   0.001%
        T HG2   LYS+ 121 - HB3   LYS+ 111  13.79 +/- 0.80   0.021% *  0.7579% (0.53   0.02   0.02) =   0.001%
          QB    ALA   20 - HB3   LYS+ 111  18.93 +/- 0.38   0.003% *  0.2851% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.13 A violated in 6 structures by 0.22 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3205 (4.53, 1.53, 33.52 ppm):
    3 chemical-shift based assignments, quality = 0.965, support = 6.62, residual support = 313.4:
      O   HA    LYS+ 111 - HB3   LYS+ 111   2.99 +/- 0.07  98.236% * 99.7996% (0.97   6.62 313.41) =  99.999%  kept
          HA    VAL  108 - HB3   LYS+ 111   5.97 +/- 0.35   1.710% *  0.0482% (0.15   0.02   0.02) =   0.001%
          HA    PRO   52 - HB3   LYS+ 111  10.49 +/- 0.37   0.054% *  0.1522% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.68 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3206 (7.57, 1.53, 33.52 ppm):
    5 chemical-shift based assignments, quality = 0.726, support = 5.17, residual support = 313.4:
      O   HN    LYS+ 111 - HB3   LYS+ 111   2.31 +/- 0.26  99.972% * 98.7829% (0.73   5.17 313.41) = 100.000%  kept
          HN    ILE   56 - HB3   LYS+ 111   9.44 +/- 0.50   0.025% *  0.1794% (0.34   0.02   2.30) =   0.000%
          HN    LEU   63 - HB3   LYS+ 111  14.07 +/- 0.32   0.003% *  0.1311% (0.25   0.02   0.02) =   0.000%
          HN    ALA   84 - HB3   LYS+ 111  19.54 +/- 0.47   0.000% *  0.3819% (0.73   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB3   LYS+ 111  31.79 +/- 1.49   0.000% *  0.5247% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 313.4:
      O   HN    LYS+ 111 - HB2   LYS+ 111   3.44 +/- 0.31  99.391% * 98.7851% (1.00   7.06 313.41) =  99.999%  kept
          HN    ILE   56 - HB2   LYS+ 111  10.02 +/- 0.36   0.182% *  0.2343% (0.84   0.02   2.30) =   0.000%
          HE21  GLN   32 - HG3   GLN   30  10.49 +/- 1.06   0.185% *  0.0409% (0.15   0.02   1.58) =   0.000%
          HN    LEU   63 - HB2   LYS+ 111  14.55 +/- 0.44   0.018% *  0.2037% (0.73   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   GLN   30  10.15 +/- 0.75   0.193% *  0.0087% (0.03   0.02   6.34) =   0.000%
          HN    ALA   84 - HG3   GLN   30  14.73 +/- 0.88   0.019% *  0.0563% (0.20   0.02   0.02) =   0.000%
          HN    ALA   84 - HB2   LYS+ 111  21.11 +/- 0.70   0.002% *  0.2799% (1.00   0.02   0.02) =   0.000%
          HN    LEU   63 - HG3   GLN   30  17.63 +/- 0.75   0.006% *  0.0409% (0.15   0.02   0.02) =   0.000%
          HN    ILE   56 - HG3   GLN   30  22.17 +/- 0.64   0.002% *  0.0471% (0.17   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG3   GLN   30  24.13 +/- 0.77   0.001% *  0.0563% (0.20   0.02   0.02) =   0.000%
          HE21  GLN   32 - HB2   LYS+ 111  33.14 +/- 1.44   0.000% *  0.2037% (0.73   0.02   0.02) =   0.000%
          HD21  ASN   28 - HB2   LYS+ 111  29.77 +/- 1.09   0.000% *  0.0433% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 313.4:
          HN    LYS+ 111 - HG2   LYS+ 111   3.72 +/- 0.17  99.756% * 94.2707% (0.18   6.51 313.41) =  99.998%  kept
          HN    ILE   56 - HG2   LYS+ 111  10.59 +/- 0.47   0.200% *  0.8048% (0.49   0.02   2.30) =   0.002%
          HN    LEU   63 - HG2   LYS+ 111  16.27 +/- 0.31   0.015% *  1.0029% (0.61   0.02   0.02) =   0.000%
          QE    PHE   60 - HG2   LYS+ 111  15.43 +/- 0.60   0.021% *  0.5103% (0.31   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+ 111  21.34 +/- 0.40   0.003% *  1.4829% (0.90   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+ 111  19.93 +/- 0.57   0.004% *  0.2896% (0.18   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+ 111  29.23 +/- 0.76   0.000% *  1.6388% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 313.4:
          HN    LYS+ 111 - HG3   LYS+ 111   3.16 +/- 0.26  99.622% * 98.0192% (0.65   6.54 313.41) =  99.999%  kept
          HN    ILE   56 - HG3   LYS+ 111   9.35 +/- 0.78   0.158% *  0.4471% (0.97   0.02   2.30) =   0.001%
          HN    LEU   63 - HG2   LYS+  74  11.34 +/- 1.47   0.072% *  0.0494% (0.11   0.02   0.02) =   0.000%
          HN    LEU   63 - HG3   LYS+ 111  15.83 +/- 0.30   0.007% *  0.4622% (1.00   0.02   0.02) =   0.000%
          HN    ILE   56 - HG2   LYS+  74  11.50 +/- 0.71   0.053% *  0.0478% (0.10   0.02   0.02) =   0.000%
          HN    ALA   84 - HG2   LYS+  74  11.97 +/- 0.78   0.043% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HN    ALA   84 - HG3   LYS+ 111  20.06 +/- 0.53   0.002% *  0.2997% (0.65   0.02   0.02) =   0.000%
          HN    LYS+ 111 - HG2   LYS+  74  14.62 +/- 0.93   0.013% *  0.0320% (0.07   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG2   LYS+  74  13.32 +/- 0.52   0.021% *  0.0186% (0.04   0.02   0.02) =   0.000%
          HZ2   TRP   87 - HG3   LYS+ 111  21.81 +/- 0.56   0.001% *  0.1739% (0.38   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG2   LYS+  74  16.55 +/- 0.51   0.006% *  0.0280% (0.06   0.02   0.02) =   0.000%
          HD21  ASN   28 - HG3   LYS+ 111  29.42 +/- 0.84   0.000% *  0.2623% (0.57   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG2   LYS+  74  20.30 +/- 1.13   0.002% *  0.0123% (0.03   0.02   0.02) =   0.000%
          HE21  GLN   32 - HG3   LYS+ 111  33.46 +/- 1.53   0.000% *  0.1155% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 5.64, residual support = 27.0:
          HN    VAL   75 - HG2   LYS+  74   3.35 +/- 0.50  99.772% * 92.7092% (0.09   5.64  27.04) =  99.999%  kept
          HN    ASP-  78 - HG2   LYS+  74   9.52 +/- 1.27   0.215% *  0.4069% (0.11   0.02   0.02) =   0.001%
          HN    VAL   75 - HG3   LYS+ 111  17.28 +/- 0.37   0.007% *  3.0762% (0.80   0.02   0.02) =   0.000%
          HN    ASP-  78 - HG3   LYS+ 111  18.06 +/- 0.57   0.005% *  3.8077% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.85 A violated in 1 structures by 0.03 A, kept.
 
    Peak 3211 (1.99, 3.46, 61.33 ppm):
    11 chemical-shift based assignments, quality = 0.728, support = 1.16, residual support = 3.51:
        T HB2   LEU  115 - HA    LYS+ 112   2.66 +/- 0.50  95.137% * 19.7073% (0.76   0.75   2.18) =  91.004%  kept
          HB2   LYS+ 111 - HA    LYS+ 112   5.12 +/- 0.12   2.727% * 44.8213% (0.18   7.44  25.46) =   5.934%  kept
          QB    GLU- 114 - HA    LYS+ 112   5.93 +/- 0.45   1.918% * 32.8308% (0.73   1.31   0.59) =   3.057%  kept
          HG3   PRO   58 - HA    LYS+ 112   7.97 +/- 0.52   0.209% *  0.5506% (0.80   0.02   0.02) =   0.006%
          HB2   LEU   67 - HA    LYS+ 112  16.31 +/- 0.88   0.003% *  0.2581% (0.38   0.02   0.02) =   0.000%
          HG2   PRO   68 - HA    LYS+ 112  19.94 +/- 1.17   0.001% *  0.5965% (0.87   0.02   0.02) =   0.000%
          HB    ILE   19 - HA    LYS+ 112  21.00 +/- 0.29   0.001% *  0.5506% (0.80   0.02   0.02) =   0.000%
          HB    VAL   18 - HA    LYS+ 112  16.75 +/- 0.61   0.003% *  0.1204% (0.18   0.02   0.02) =   0.000%
          HB2   GLN   17 - HA    LYS+ 112  20.09 +/- 0.63   0.001% *  0.1531% (0.22   0.02   0.02) =   0.000%
          QB    GLU-  15 - HA    LYS+ 112  22.53 +/- 0.56   0.000% *  0.1531% (0.22   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HA    LYS+ 112  30.86 +/- 0.37   0.000% *  0.2581% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.46 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   2.79 +/- 0.31  99.964% * 95.9136% (0.84   1.22   7.38) = 100.000%  kept
          HG3   LYS+ 121 - HA    LYS+ 112  13.82 +/- 0.55   0.009% *  1.7316% (0.92   0.02   0.02) =   0.000%
          QD2   LEU  123 - HA    LYS+ 112  11.49 +/- 0.48   0.025% *  0.5216% (0.28   0.02   0.02) =   0.000%
          QD2   LEU   73 - HA    LYS+ 112  16.76 +/- 0.91   0.003% *  1.0620% (0.57   0.02   0.02) =   0.000%
          HG    LEU   31 - HA    LYS+ 112  24.43 +/- 0.81   0.000% *  0.7712% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.25 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 = 0.9, support = 0.02, residual support = 0.365:
          QD    PHE   55 - HA    LYS+ 112   4.17 +/- 0.16  81.416% * 27.0710% (0.95   0.02   0.41) =  87.989%  kept
          QE    PHE   95 - HA    LYS+ 112   5.39 +/- 0.30  18.551% * 16.2019% (0.57   0.02   0.02) =  11.999%  kept
          HN    LEU   67 - HA    LYS+ 112  16.09 +/- 0.32   0.025% *  5.6634% (0.20   0.02   0.02) =   0.006%
          HE3   TRP   27 - HA    LYS+ 112  21.37 +/- 0.34   0.005% * 28.0508% (0.98   0.02   0.02) =   0.005%
          HN    THR   23 - HA    LYS+ 112  25.34 +/- 0.34   0.002% * 15.0563% (0.53   0.02   0.02) =   0.001%
          HN    LYS+  81 - HA    LYS+ 112  24.66 +/- 0.47   0.002% *  7.9567% (0.28   0.02   0.02) =   0.001%
    Distance limit 3.70 A violated in 12 structures by 0.32 A, eliminated.
    Peak unassigned.
 
    Peak 3214 (8.48, 3.46, 61.33 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 5.73, residual support = 234.0:
      O   HN    LYS+ 112 - HA    LYS+ 112   2.81 +/- 0.02  99.990% * 99.0291% (0.92   5.73 234.00) = 100.000%  kept
          HN    THR   46 - HA    LYS+ 112  15.57 +/- 0.34   0.003% *  0.1680% (0.45   0.02   0.02) =   0.000%
          HN    MET   92 - HA    LYS+ 112  14.51 +/- 0.55   0.005% *  0.1042% (0.28   0.02   0.02) =   0.000%
          HN    LYS+  74 - HA    LYS+ 112  18.90 +/- 0.28   0.001% *  0.3250% (0.87   0.02   0.02) =   0.000%
          HN    MET   11 - HA    LYS+ 112  35.84 +/- 1.84   0.000% *  0.3738% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3215 (8.51, 0.36, 25.56 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 6.23, residual support = 234.0:
          HN    LYS+ 112 - HG2   LYS+ 112   3.28 +/- 0.33  99.992% * 98.9781% (0.41   6.23 234.00) = 100.000%  kept
          HN    ASP-  78 - HG2   LYS+ 112  19.57 +/- 0.87   0.002% *  0.5907% (0.76   0.02   0.02) =   0.000%
          HN    VAL   75 - HG2   LYS+ 112  16.97 +/- 0.81   0.006% *  0.2386% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HG2   LYS+ 112  35.78 +/- 2.00   0.000% *  0.1927% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 0.63, support = 0.0195, residual support = 0.0195:
          HN    PHE   59 - HG2   LYS+ 112   6.25 +/- 0.77  75.770% * 17.7173% (0.53   0.02   0.02) =  65.935%  kept
          QE    PHE   59 - HG2   LYS+ 112   7.85 +/- 0.85  21.256% * 30.2011% (0.90   0.02   0.02) =  31.529%  kept
          QD    PHE   60 - HG2   LYS+ 112  11.03 +/- 0.77   2.520% * 15.0977% (0.45   0.02   0.02) =   1.869%
          HN    LYS+  66 - HG2   LYS+ 112  14.88 +/- 0.74   0.432% * 31.0863% (0.92   0.02   0.02) =   0.660%
          HN    LYS+  81 - HG2   LYS+ 112  24.76 +/- 0.85   0.021% *  5.8976% (0.18   0.02   0.02) =   0.006%
    Distance limit 4.11 A violated in 20 structures by 1.87 A, eliminated.
    Peak unassigned.
 
    Peak 3217 (2.45, 0.36, 25.56 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 4.59, residual support = 234.0:
      O T QE    LYS+ 112 - HG2   LYS+ 112   2.32 +/- 0.21  99.980% * 92.1923% (0.20   4.59 234.00) = 100.000%  kept
        T HB3   ASP-  62 - HG2   LYS+ 112   9.86 +/- 0.60   0.018% *  2.0119% (0.99   0.02   0.02) =   0.000%
          HG3   MET   96 - HG2   LYS+ 112  17.39 +/- 0.74   0.001% *  1.3943% (0.69   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG2   LYS+ 112  15.58 +/- 0.84   0.001% *  0.4017% (0.20   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG2   LYS+ 112  25.87 +/- 0.81   0.000% *  1.6955% (0.84   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG2   LYS+ 112  31.58 +/- 1.03   0.000% *  1.3943% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG2   LYS+ 112  32.64 +/- 1.47   0.000% *  0.9100% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 234.0:
      O T QE    LYS+ 112 - HG3   LYS+ 112   2.64 +/- 0.31  99.969% * 92.2793% (0.20   4.65 234.00) =  99.999%  kept
        T HB3   ASP-  62 - HG3   LYS+ 112  10.59 +/- 0.63   0.028% *  1.9895% (0.99   0.02   0.02) =   0.001%
          HG3   MET   96 - HG3   LYS+ 112  18.69 +/- 0.58   0.001% *  1.3788% (0.69   0.02   0.02) =   0.000%
          HB3   PHE   45 - HG3   LYS+ 112  16.52 +/- 0.72   0.002% *  0.3972% (0.20   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HG3   LYS+ 112  26.95 +/- 0.78   0.000% *  1.6766% (0.84   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HG3   LYS+ 112  32.70 +/- 1.02   0.000% *  1.3788% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HG3   LYS+ 112  33.93 +/- 1.68   0.000% *  0.8999% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 0.291, support = 0.0197, residual support = 0.0197:
          QE    PHE   95 - HG3   LYS+ 112   7.34 +/- 0.56  98.498% *  6.9459% (0.28   0.02   0.02) =  95.605%  kept
          HD1   TRP   49 - HG3   LYS+ 112  16.60 +/- 0.94   0.787% * 24.1093% (0.97   0.02   0.02) =   2.652%  kept
          HN    LEU   67 - HG3   LYS+ 112  17.53 +/- 0.62   0.568% * 17.1603% (0.69   0.02   0.02) =   1.361%
          HD2   HIS   22 - HG3   LYS+ 112  24.36 +/- 1.71   0.083% * 24.9820% (1.00   0.02   0.02) =   0.289%
          HN    THR   23 - HG3   LYS+ 112  26.22 +/- 0.71   0.049% *  7.7106% (0.31   0.02   0.02) =   0.053%
          HD21  ASN   35 - HG3   LYS+ 112  31.97 +/- 0.95   0.015% * 19.0919% (0.76   0.02   0.02) =   0.041%
    Distance limit 4.24 A violated in 20 structures by 3.09 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 = 234.0:
          HN    LYS+ 112 - HG3   LYS+ 112   3.43 +/- 0.36  99.992% * 98.9284% (0.41   5.94 234.00) = 100.000%  kept
          HN    ASP-  78 - HG3   LYS+ 112  20.20 +/- 0.83   0.003% *  0.6194% (0.76   0.02   0.02) =   0.000%
          HN    VAL   75 - HG3   LYS+ 112  17.98 +/- 0.70   0.005% *  0.2502% (0.31   0.02   0.02) =   0.000%
          HN    MET   11 - HG3   LYS+ 112  36.69 +/- 1.91   0.000% *  0.2021% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3221 (2.45, 1.20, 29.98 ppm):
    7 chemical-shift based assignments, quality = 0.198, support = 3.64, residual support = 234.0:
      O   QE    LYS+ 112 - HD2   LYS+ 112   2.40 +/- 0.13  99.966% * 90.3534% (0.20   3.64 234.00) =  99.999%  kept
          HB3   ASP-  62 - HD2   LYS+ 112   9.55 +/- 1.15   0.032% *  2.4857% (0.99   0.02   0.02) =   0.001%
        T HG3   MET   96 - HD2   LYS+ 112  19.38 +/- 0.65   0.000% *  1.7227% (0.69   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD2   LYS+ 112  17.87 +/- 0.59   0.001% *  0.4963% (0.20   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD2   LYS+ 112  28.19 +/- 0.83   0.000% *  2.0948% (0.84   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD2   LYS+ 112  33.18 +/- 1.14   0.000% *  1.7227% (0.69   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD2   LYS+ 112  33.92 +/- 1.85   0.000% *  1.1244% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 234.0:
      O   HG2   LYS+ 112 - HD3   LYS+ 112   2.61 +/- 0.17  99.984% * 99.2484% (0.85   5.70 234.00) = 100.000%  kept
          QG1   VAL   42 - HD3   LYS+ 112  12.10 +/- 1.08   0.012% *  0.3846% (0.94   0.02   0.02) =   0.000%
          QB    ALA   47 - HD3   LYS+ 112  14.49 +/- 0.64   0.004% *  0.3670% (0.89   0.02   0.02) =   0.000%
    Distance limit 3.42 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 = 234.0:
      O   QE    LYS+ 112 - HD3   LYS+ 112   2.38 +/- 0.13  99.958% * 89.4571% (0.19   3.30 234.00) =  99.999%  kept
          HB3   ASP-  62 - HD3   LYS+ 112   9.11 +/- 1.26   0.041% *  2.7167% (0.94   0.02   0.02) =   0.001%
          HG3   MET   96 - HD3   LYS+ 112  18.37 +/- 1.03   0.001% *  1.8828% (0.65   0.02   0.02) =   0.000%
          HB3   PHE   45 - HD3   LYS+ 112  17.41 +/- 0.91   0.001% *  0.5424% (0.19   0.02   0.02) =   0.000%
          HB3   ASP-  86 - HD3   LYS+ 112  27.46 +/- 1.06   0.000% *  2.2894% (0.79   0.02   0.02) =   0.000%
          HG2   GLU-  29 - HD3   LYS+ 112  32.53 +/- 1.48   0.000% *  1.8828% (0.65   0.02   0.02) =   0.000%
          HG2   GLU-  36 - HD3   LYS+ 112  32.97 +/- 1.99   0.000% *  1.2288% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 4.59, residual support = 234.0:
      O T HG2   LYS+ 112 - QE    LYS+ 112   2.32 +/- 0.21  99.902% * 98.7919% (0.75   4.59 234.00) = 100.000%  kept
          QG1   VAL   42 - QE    LYS+ 112  10.04 +/- 0.65   0.018% *  0.4757% (0.83   0.02   0.02) =   0.000%
          QG1   VAL   42 - HB3   ASP-  62   8.67 +/- 0.62   0.051% *  0.0973% (0.17   0.02   0.02) =   0.000%
          QB    ALA   47 - QE    LYS+ 112  11.55 +/- 0.61   0.009% *  0.4540% (0.79   0.02   0.02) =   0.000%
        T HG2   LYS+ 112 - HB3   ASP-  62   9.86 +/- 0.60   0.018% *  0.0881% (0.15   0.02   0.02) =   0.000%
          QB    ALA   47 - HB3   ASP-  62  15.58 +/- 0.44   0.001% *  0.0929% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.45 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   2.73 +/- 0.59  98.902% * 88.7738% (0.44   1.45   7.38) =  99.996%  kept
          QG2   VAL   18 - HB3   ASP-  62   7.39 +/- 0.36   0.540% *  0.1952% (0.07   0.02   0.02) =   0.001%
          QD1   ILE   56 - HB3   ASP-  62   7.75 +/- 0.37   0.402% *  0.2499% (0.09   0.02   0.02) =   0.001%
          QG2   VAL   18 - QE    LYS+ 112  10.27 +/- 0.88   0.052% *  0.9542% (0.34   0.02   0.02) =   0.001%
          QG2   THR   46 - QE    LYS+ 112  11.27 +/- 0.69   0.028% *  0.7164% (0.26   0.02   0.02) =   0.000%
          QG1   VAL   43 - QE    LYS+ 112  13.84 +/- 0.56   0.009% *  1.5015% (0.54   0.02   0.02) =   0.000%
          QD2   LEU   73 - QE    LYS+ 112  14.68 +/- 0.99   0.007% *  1.8586% (0.67   0.02   0.02) =   0.000%
          QD2   LEU   73 - HB3   ASP-  62  12.91 +/- 0.47   0.018% *  0.3803% (0.14   0.02   0.02) =   0.000%
          QG1   VAL   41 - QE    LYS+ 112  16.70 +/- 0.69   0.003% *  1.9387% (0.70   0.02   0.02) =   0.000%
          QG1   VAL   43 - HB3   ASP-  62  13.71 +/- 0.67   0.014% *  0.3072% (0.11   0.02   0.02) =   0.000%
          QG1   VAL   41 - HB3   ASP-  62  15.39 +/- 0.65   0.007% *  0.3967% (0.14   0.02   0.02) =   0.000%
          QG2   THR   46 - HB3   ASP-  62  12.82 +/- 0.60   0.016% *  0.1466% (0.05   0.02   0.02) =   0.000%
          HG    LEU   31 - QE    LYS+ 112  22.11 +/- 0.79   0.001% *  2.1426% (0.77   0.02   0.02) =   0.000%
          HG    LEU   31 - HB3   ASP-  62  21.75 +/- 1.12   0.001% *  0.4384% (0.16   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 234.0:
      O T HG3   LYS+ 112 - QE    LYS+ 112   2.64 +/- 0.31  95.495% * 98.8167% (0.81   4.65 234.00) =  99.996%  kept
          HG    LEU   63 - HB3   ASP-  62   5.24 +/- 0.89   4.331% *  0.0809% (0.15   0.02  42.57) =   0.004%
          HG    LEU   63 - QE    LYS+ 112   8.65 +/- 1.36   0.117% *  0.3953% (0.75   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    LYS+ 112  10.92 +/- 0.51   0.022% *  0.1099% (0.21   0.02   0.02) =   0.000%
        T HG3   LYS+ 112 - HB3   ASP-  62  10.59 +/- 0.63   0.026% *  0.0870% (0.16   0.02   0.02) =   0.000%
        T QG2   VAL   24 - QE    LYS+ 112  20.92 +/- 0.50   0.000% *  0.3368% (0.64   0.02   0.02) =   0.000%
          HB2   LEU  104 - QE    LYS+ 112  16.28 +/- 0.54   0.002% *  0.0680% (0.13   0.02   0.02) =   0.000%
          QG2   VAL  108 - HB3   ASP-  62  15.09 +/- 0.67   0.004% *  0.0225% (0.04   0.02   0.02) =   0.000%
          HB2   LEU  104 - HB3   ASP-  62  16.14 +/- 0.87   0.002% *  0.0139% (0.03   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB3   ASP-  62  22.08 +/- 0.55   0.000% *  0.0689% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 0.436, support = 0.0195, residual support = 0.0195:
        T QG2   VAL  107 - QE    LYS+ 112   6.39 +/- 0.19  31.888% * 12.9407% (0.51   0.02   0.02) =  52.003%  kept
          HG13  ILE  119 - QE    LYS+ 112   7.42 +/- 0.98  16.369% * 13.8021% (0.54   0.02   0.02) =  28.471%  kept
          HG13  ILE  119 - HB3   ASP-  62   6.00 +/- 0.87  48.433% *  2.8239% (0.11   0.02   0.02) =  17.236%  kept
          QG2   VAL  107 - HB3   ASP-  62   9.90 +/- 0.61   2.173% *  2.6477% (0.10   0.02   0.02) =   0.725%
          HG2   LYS+ 121 - QE    LYS+ 112  14.02 +/- 0.87   0.294% * 17.8210% (0.70   0.02   0.02) =   0.660%
          QB    ALA   20 - QE    LYS+ 112  14.87 +/- 0.69   0.219% * 21.2883% (0.83   0.02   0.02) =   0.587%
          QB    ALA   20 - HB3   ASP-  62  13.95 +/- 0.35   0.294% *  4.3556% (0.17   0.02   0.02) =   0.161%
          HG2   LYS+ 121 - HB3   ASP-  62  14.99 +/- 1.05   0.180% *  3.6462% (0.14   0.02   0.02) =   0.083%
          HG13  ILE  103 - QE    LYS+ 112  17.55 +/- 0.67   0.079% *  4.2223% (0.17   0.02   0.02) =   0.042%
          HB3   LEU   31 - QE    LYS+ 112  23.37 +/- 0.68   0.014% * 12.9407% (0.51   0.02   0.02) =   0.023%
          HB3   LEU   31 - HB3   ASP-  62  22.93 +/- 0.66   0.014% *  2.6477% (0.10   0.02   0.02) =   0.005%
          HG13  ILE  103 - HB3   ASP-  62  19.05 +/- 0.78   0.043% *  0.8639% (0.03   0.02   0.02) =   0.005%
    Distance limit 3.16 A violated in 20 structures by 2.07 A, eliminated.
    Peak unassigned.
 
    Peak 3228 (7.33, 2.43, 41.54 ppm):
    14 chemical-shift based assignments, quality = 0.722, support = 0.412, residual support = 0.411:
          QD    PHE   55 - QE    LYS+ 112   3.18 +/- 0.62  92.622% * 78.6328% (0.72   0.41   0.41) =  99.643%  kept
          QE    PHE   95 - QE    LYS+ 112   5.47 +/- 0.64   5.775% *  4.2964% (0.82   0.02   0.02) =   0.339%
          QE    PHE   95 - HB3   ASP-  62   7.82 +/- 0.49   0.718% *  0.8790% (0.17   0.02   0.02) =   0.009%
          HN    LEU   67 - HB3   ASP-  62   7.74 +/- 0.46   0.721% *  0.5801% (0.11   0.02   0.02) =   0.006%
          QD    PHE   55 - HB3   ASP-  62  10.33 +/- 0.63   0.111% *  0.7779% (0.15   0.02   0.02) =   0.001%
          HN    LEU   67 - QE    LYS+ 112  13.35 +/- 1.16   0.026% *  2.8355% (0.54   0.02   0.02) =   0.001%
          HD1   TRP   49 - QE    LYS+ 112  14.83 +/- 0.79   0.013% *  1.3529% (0.26   0.02   0.02) =   0.000%
          HE3   TRP   27 - QE    LYS+ 112  19.03 +/- 0.63   0.003% *  3.5098% (0.67   0.02   0.02) =   0.000%
          HN    THR   23 - QE    LYS+ 112  22.06 +/- 0.60   0.001% *  4.2301% (0.81   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB3   ASP-  62  18.78 +/- 0.52   0.003% *  0.7181% (0.14   0.02   0.02) =   0.000%
          HD2   HIS   22 - QE    LYS+ 112  20.26 +/- 1.44   0.002% *  0.8674% (0.17   0.02   0.02) =   0.000%
          HN    THR   23 - HB3   ASP-  62  22.62 +/- 0.48   0.001% *  0.8655% (0.16   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB3   ASP-  62  20.05 +/- 0.53   0.002% *  0.2768% (0.05   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB3   ASP-  62  20.33 +/- 1.04   0.002% *  0.1775% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 3230 (8.17, 2.68, 39.79 ppm):
    5 chemical-shift based assignments, quality = 0.835, support = 3.4, residual support = 21.3:
          HN    GLU- 114 - QB    ASP- 113   2.34 +/- 0.19  98.740% * 98.0714% (0.84   3.40  21.33) =  99.991%  kept
          HN    GLN  116 - QB    ASP- 113   5.07 +/- 0.12   1.066% *  0.6763% (0.98   0.02   1.50) =   0.007%
          HN    THR  118 - QB    ASP- 113   6.80 +/- 0.28   0.190% *  0.5525% (0.80   0.02   0.02) =   0.001%
          HN    PHE   60 - QB    ASP- 113  12.65 +/- 0.24   0.004% *  0.3906% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    ASP- 113  21.53 +/- 0.42   0.000% *  0.3093% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 3.19, residual support = 13.6:
      O   HN    ASP- 113 - QB    ASP- 113   2.16 +/- 0.17  99.999% * 99.8882% (0.98   3.19  13.57) = 100.000%  kept
          HN    MET   92 - QB    ASP- 113  14.57 +/- 0.47   0.001% *  0.1118% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.53 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 = 0.403, support = 0.0196, residual support = 0.0196:
        T QG1   ILE   56 - HA    ASP- 113   8.64 +/- 0.38  98.187% * 20.6001% (0.41   0.02   0.02) =  97.982%  kept
          HB    ILE   89 - HA    ASP- 113  20.69 +/- 0.45   0.530% * 46.2556% (0.92   0.02   0.02) =   1.187%
        T HB3   LYS+  99 - HA    ASP- 113  21.45 +/- 0.69   0.432% * 26.3630% (0.53   0.02   0.02) =   0.552%
          HB    VAL   43 - HA    ASP- 113  19.09 +/- 0.40   0.851% *  6.7814% (0.14   0.02   0.02) =   0.280%
    Distance limit 3.69 A violated in 20 structures by 4.95 A, eliminated.
    Peak unassigned.
 
    Peak 3233 (8.17, 4.14, 59.59 ppm):
    10 chemical-shift based assignments, quality = 0.732, support = 4.22, residual support = 45.3:
      O   HN    GLU- 114 - HA    GLU- 114   2.80 +/- 0.03  52.915% * 25.6809% (0.84   3.80  39.38) =  73.957%  kept
      O   HN    GLN  116 - HA    LEU  115   3.62 +/- 0.01  11.297% * 27.7257% (0.45   7.59  94.76) =  17.046%  kept
          HN    GLN  116 - HA    GLU- 114   4.58 +/- 0.12   2.838% * 24.4496% (0.98   3.08   0.27) =   3.776%  kept
          HN    THR  118 - HA    GLU- 114   3.99 +/- 0.29   7.339% *  5.3190% (0.80   0.82   0.43) =   2.124%
          HN    THR  118 - HA    LEU  115   3.23 +/- 0.21  24.085% *  1.4677% (0.37   0.49   0.13) =   1.924%
          HN    GLU- 114 - HA    LEU  115   5.13 +/- 0.11   1.425% * 15.1172% (0.38   4.86  17.64) =   1.172%
          HN    PHE   60 - HA    LEU  115   8.15 +/- 0.41   0.094% *  0.0422% (0.26   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.79 +/- 0.36   0.006% *  0.0917% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  16.62 +/- 0.44   0.001% *  0.0334% (0.21   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  20.55 +/- 0.50   0.000% *  0.0726% (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 = 0.529, support = 6.95, residual support = 177.7:
      O   HN    LEU  115 - HA    LEU  115   2.78 +/- 0.03  80.295% * 40.2123% (0.41   7.54 228.53) =  75.895%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.59 +/- 0.03  17.278% * 59.3441% (0.90   5.12  17.64) =  24.101%  kept
          HN    ASP- 113 - HA    GLU- 114   5.19 +/- 0.11   1.915% *  0.0719% (0.28   0.02  21.33) =   0.003%
          HN    ASP- 113 - HA    LEU  115   6.58 +/- 0.14   0.462% *  0.0331% (0.13   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115   9.94 +/- 0.37   0.040% *  0.1067% (0.41   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  12.24 +/- 0.42   0.011% *  0.2319% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.32 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 = 3.81, residual support = 39.4:
      O   HN    GLU- 114 - QB    GLU- 114   2.54 +/- 0.24  94.810% * 98.2732% (0.81   3.81  39.38) =  99.971%  kept
          HN    THR  118 - QB    GLU- 114   4.55 +/- 0.31   3.760% *  0.4946% (0.77   0.02   0.43) =   0.020%
          HN    GLN  116 - QB    GLU- 114   5.16 +/- 0.26   1.413% *  0.6055% (0.95   0.02   0.27) =   0.009%
          HN    PHE   60 - QB    GLU- 114  10.92 +/- 0.65   0.016% *  0.3497% (0.55   0.02   0.02) =   0.000%
          HN    LEU   71 - QB    GLU- 114  17.83 +/- 0.58   0.001% *  0.2770% (0.43   0.02   0.02) =   0.000%
    Distance limit 3.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3236 (8.40, 2.00, 29.90 ppm):
    3 chemical-shift based assignments, quality = 0.865, support = 4.95, residual support = 17.6:
          HN    LEU  115 - QB    GLU- 114   3.22 +/- 0.40  91.820% * 99.4736% (0.87   4.95  17.64) =  99.988%  kept
          HN    ASP- 113 - QB    GLU- 114   4.89 +/- 0.41   8.041% *  0.1246% (0.27   0.02  21.33) =   0.011%
          HN    PHE   97 - QB    GLU- 114   9.73 +/- 0.48   0.139% *  0.4019% (0.87   0.02   0.02) =   0.001%
    Distance limit 3.34 A violated in 0 structures by 0.08 A, kept.
 
    Peak 3237 (8.17, 2.31, 37.32 ppm):
    5 chemical-shift based assignments, quality = 0.833, support = 4.61, residual support = 39.4:
          HN    GLU- 114 - QG    GLU- 114   2.02 +/- 0.41  98.242% * 98.5703% (0.83   4.61  39.38) =  99.992%  kept
          HN    GLN  116 - QG    GLU- 114   4.87 +/- 0.61   0.872% *  0.5013% (0.98   0.02   0.27) =   0.005%
          HN    THR  118 - QG    GLU- 114   5.19 +/- 0.38   0.876% *  0.4095% (0.80   0.02   0.43) =   0.004%
          HN    PHE   60 - QG    GLU- 114  10.32 +/- 1.03   0.010% *  0.2896% (0.56   0.02   0.02) =   0.000%
          HN    LEU   71 - QG    GLU- 114  18.11 +/- 0.69   0.000% *  0.2293% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 17.6:
          HN    LEU  115 - QG    GLU- 114   2.63 +/- 0.96  99.877% * 98.5109% (0.45   5.67  17.64) = 100.000%  kept
          HN    PHE   97 - QG    GLU- 114  10.26 +/- 0.43   0.122% *  0.3476% (0.45   0.02   0.02) =   0.000%
          HN    ASN   35 - QG    GLU- 114  22.92 +/- 0.56   0.001% *  0.4080% (0.52   0.02   0.02) =   0.000%
          HN    ALA   12 - QG    GLU- 114  31.13 +/- 1.88   0.000% *  0.7335% (0.94   0.02   0.02) =   0.000%
    Distance limit 4.02 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3239 (1.10, 2.31, 37.32 ppm):
    6 chemical-shift based assignments, quality = 0.978, support = 1.39, residual support = 3.85:
          QG1   VAL  107 - QG    GLU- 114   3.04 +/- 0.39  99.210% * 96.5939% (0.98   1.39   3.85) =  99.992%  kept
          HD3   LYS+ 112 - QG    GLU- 114   7.59 +/- 1.03   0.563% *  1.1827% (0.83   0.02   0.59) =   0.007%
          HG13  ILE  119 - QG    GLU- 114   8.58 +/- 0.96   0.222% *  0.3152% (0.22   0.02   0.02) =   0.001%
          QG1   VAL   24 - QG    GLU- 114  19.22 +/- 1.24   0.002% *  1.3071% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   24 - QG    GLU- 114  19.39 +/- 0.59   0.002% *  0.2480% (0.17   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG    GLU- 114  21.25 +/- 0.67   0.001% *  0.3531% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.22 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 = 0.585, support = 0.75, residual support = 3.85:
        T QG2   VAL  107 - QB    GLU- 114   2.73 +/- 0.49  99.709% * 87.3820% (0.59   0.75   3.85) =  99.991%  kept
          HG2   LYS+ 121 - QB    GLU- 114   9.09 +/- 0.85   0.127% *  3.2090% (0.81   0.02   0.02) =   0.005%
          HG13  ILE  119 - QB    GLU- 114   8.59 +/- 0.35   0.141% *  2.4853% (0.62   0.02   0.02) =   0.004%
          HG13  ILE  103 - QB    GLU- 114  11.77 +/- 0.56   0.021% *  0.7603% (0.19   0.02   0.02) =   0.000%
          QB    ALA   20 - QB    GLU- 114  17.70 +/- 0.65   0.002% *  3.8333% (0.96   0.02   0.02) =   0.000%
          HB3   LEU   31 - QB    GLU- 114  21.02 +/- 0.53   0.001% *  2.3302% (0.59   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 1 structures by 0.03 A, kept.
 
    Peak 3243 (4.12, 1.46, 42.01 ppm):
    20 chemical-shift based assignments, quality = 0.923, support = 6.34, residual support = 228.5:
      O T HA    LEU  115 - HB3   LEU  115   2.23 +/- 0.05  99.752% * 98.0657% (0.92   6.34 228.53) = 100.000%  kept
        T HA    GLU- 114 - HB3   LEU  115   6.43 +/- 0.16   0.181% *  0.1502% (0.45   0.02  17.64) =   0.000%
        T HA    ARG+  54 - HB3   LEU  115  11.77 +/- 0.39   0.005% *  0.2799% (0.84   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU   40   8.38 +/- 0.32   0.037% *  0.0315% (0.09   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU   40  10.01 +/- 1.33   0.017% *  0.0238% (0.07   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU  115  16.79 +/- 0.43   0.001% *  0.2433% (0.73   0.02   0.02) =   0.000%
          HA    ALA  124 - HB3   LEU   40  13.49 +/- 1.12   0.002% *  0.0285% (0.09   0.02   0.02) =   0.000%
        T HA    LEU  115 - HB3   LEU   40  15.10 +/- 0.42   0.001% *  0.0363% (0.11   0.02   0.02) =   0.000%
          HA    ALA   34 - HB3   LEU  115  21.60 +/- 0.65   0.000% *  0.2683% (0.80   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU   40  15.60 +/- 0.44   0.001% *  0.0372% (0.11   0.02   0.02) =   0.000%
          HA1   GLY  101 - HB3   LEU  115  21.00 +/- 0.87   0.000% *  0.2032% (0.61   0.02   0.02) =   0.000%
          HA    ASN   28 - HB3   LEU  115  23.10 +/- 0.70   0.000% *  0.3170% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU   40  12.99 +/- 0.22   0.003% *  0.0088% (0.03   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU  115  20.51 +/- 0.50   0.000% *  0.1034% (0.31   0.02   0.02) =   0.000%
        T HA    GLU- 114 - HB3   LEU   40  18.19 +/- 0.44   0.000% *  0.0176% (0.05   0.02   0.02) =   0.000%
          HA    THR   26 - HB3   LEU  115  24.94 +/- 0.45   0.000% *  0.0587% (0.18   0.02   0.02) =   0.000%
        T HA    ARG+  54 - HB3   LEU   40  23.69 +/- 0.95   0.000% *  0.0328% (0.10   0.02   0.02) =   0.000%
          HA    GLU-  36 - HB3   LEU  115  27.38 +/- 0.62   0.000% *  0.0746% (0.22   0.02   0.02) =   0.000%
        T HA    THR   26 - HB3   LEU   40  18.93 +/- 0.75   0.000% *  0.0069% (0.02   0.02   0.02) =   0.000%
          HA    LYS+  81 - HB3   LEU   40  23.15 +/- 0.36   0.000% *  0.0121% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.44 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 = 6.12, residual support = 228.5:
      O T QD1   LEU  115 - HB3   LEU  115   2.41 +/- 0.28  99.989% * 99.5514% (0.87   6.12 228.53) = 100.000%  kept
          QG1   VAL   75 - HB3   LEU  115  13.94 +/- 0.82   0.005% *  0.3673% (0.98   0.02   0.02) =   0.000%
          QG1   VAL   75 - HB3   LEU   40  14.87 +/- 0.86   0.003% *  0.0431% (0.12   0.02   0.02) =   0.000%
        T QD1   LEU  115 - HB3   LEU   40  15.00 +/- 0.61   0.002% *  0.0381% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 7.33, residual support = 228.5:
      O T QD2   LEU  115 - HB3   LEU  115   2.52 +/- 0.29  89.639% * 97.3343% (0.45   7.33 228.53) =  99.984%  kept
          QD1   LEU   63 - HB3   LEU  115   4.93 +/- 0.85   2.045% *  0.4745% (0.80   0.02   0.02) =   0.011%
          QD2   LEU   63 - HB3   LEU  115   6.20 +/- 0.73   0.526% *  0.5470% (0.92   0.02   0.02) =   0.003%
          QD1   LEU  104 - HB3   LEU   40   4.27 +/- 0.69   6.748% *  0.0155% (0.03   0.02   0.02) =   0.001%
          QG2   VAL   41 - HB3   LEU   40   6.52 +/- 0.32   0.370% *  0.0261% (0.04   0.02  17.85) =   0.000%
          QD2   LEU   63 - HB3   LEU   40   8.31 +/- 0.82   0.114% *  0.0642% (0.11   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   40   6.57 +/- 0.57   0.387% *  0.0155% (0.03   0.02   9.38) =   0.000%
          QD1   LEU   63 - HB3   LEU   40   8.62 +/- 0.87   0.101% *  0.0557% (0.09   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB3   LEU   40   9.39 +/- 0.49   0.042% *  0.0557% (0.09   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB3   LEU  115  14.99 +/- 0.45   0.002% *  0.4745% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU  115  12.33 +/- 0.85   0.008% *  0.1319% (0.22   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU  115  13.83 +/- 0.66   0.004% *  0.2224% (0.38   0.02   0.02) =   0.000%
          QD1   LEU  104 - HB3   LEU  115  12.60 +/- 0.47   0.006% *  0.1319% (0.22   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU  115  17.57 +/- 0.59   0.001% *  0.2436% (0.41   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HB3   LEU   40  13.51 +/- 0.72   0.004% *  0.0312% (0.05   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU  115  17.99 +/- 1.43   0.001% *  0.1319% (0.22   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LEU   40  16.49 +/- 0.79   0.001% *  0.0286% (0.05   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB3   LEU   40  17.66 +/- 1.40   0.001% *  0.0155% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.29 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 = 0.966, support = 7.79, residual support = 87.4:
          HN    GLN  116 - HB3   LEU  115   4.05 +/- 0.09  53.405% * 62.8013% (0.98   8.25  94.76) =  91.460%  kept
          HN    THR  118 - HB3   LEU  115   5.23 +/- 0.24  11.709% * 13.7492% (0.80   2.21   0.13) =   4.390%  kept
          HN    GLU- 114 - HB3   LEU  115   5.80 +/- 0.34   6.530% * 23.2259% (0.84   3.58  17.64) =   4.136%  kept
          HN    PHE   60 - HB3   LEU  115   6.48 +/- 0.33   3.488% *  0.0879% (0.57   0.02   0.02) =   0.008%
          HN    LEU   71 - HB3   LEU   40   5.03 +/- 1.05  24.807% *  0.0082% (0.05   0.02   0.02) =   0.006%
          HN    LEU   71 - HB3   LEU  115  16.77 +/- 0.69   0.011% *  0.0696% (0.45   0.02   0.02) =   0.000%
          HN    THR  118 - HB3   LEU   40  14.93 +/- 0.39   0.021% *  0.0146% (0.09   0.02   0.02) =   0.000%
          HN    PHE   60 - HB3   LEU   40  15.08 +/- 0.87   0.019% *  0.0103% (0.07   0.02   0.02) =   0.000%
          HN    GLN  116 - HB3   LEU   40  17.90 +/- 0.49   0.007% *  0.0179% (0.12   0.02   0.02) =   0.000%
          HN    GLU- 114 - HB3   LEU   40  19.79 +/- 0.39   0.004% *  0.0152% (0.10   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 7.22, residual support = 228.5:
      O   HN    LEU  115 - HB3   LEU  115   3.27 +/- 0.22  98.044% * 99.5642% (0.90   7.22 228.53) =  99.998%  kept
          HN    ASP- 113 - HB3   LEU  115   6.48 +/- 0.44   1.661% *  0.0855% (0.28   0.02   0.02) =   0.001%
          HN    PHE   97 - HB3   LEU  115  10.90 +/- 0.52   0.083% *  0.2756% (0.90   0.02   0.02) =   0.000%
          HN    PHE   97 - HB3   LEU   40   9.27 +/- 0.41   0.208% *  0.0323% (0.11   0.02   1.24) =   0.000%
          HN    LEU  115 - HB3   LEU   40  17.80 +/- 0.40   0.004% *  0.0323% (0.11   0.02   0.02) =   0.000%
          HN    ASP- 113 - HB3   LEU   40  21.61 +/- 0.42   0.001% *  0.0100% (0.03   0.02   0.02) =   0.000%
    Distance limit 3.24 A violated in 0 structures by 0.09 A, kept.
 
    Peak 3248 (3.47, 1.98, 42.01 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 0.75, residual support = 2.18:
        T HA    LYS+ 112 - HB2   LEU  115   2.66 +/- 0.50  99.969% * 96.1906% (0.69   0.75   2.18) = 100.000%  kept
          HB2   HIS  122 - HB2   LEU  115  12.85 +/- 0.48   0.015% *  1.5352% (0.41   0.02   0.02) =   0.000%
          HB    THR   46 - HB2   LEU  115  12.76 +/- 0.51   0.016% *  0.7390% (0.20   0.02   0.02) =   0.000%
          HB2   HIS   22 - HB2   LEU  115  24.85 +/- 0.71   0.000% *  1.5352% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.70 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3249 (7.33, 1.98, 42.01 ppm):
    7 chemical-shift based assignments, quality = 0.98, support = 1.5, residual support = 6.01:
          QE    PHE   95 - HB2   LEU  115   3.51 +/- 0.41  94.555% * 95.1014% (0.98   1.50   6.01) =  99.932%  kept
          QD    PHE   55 - HB2   LEU  115   6.00 +/- 0.43   5.408% *  1.1221% (0.87   0.02   0.02) =   0.067%
          HN    LEU   67 - HB2   LEU  115  14.73 +/- 0.37   0.020% *  0.8369% (0.65   0.02   0.02) =   0.000%
          HE3   TRP   27 - HB2   LEU  115  19.22 +/- 0.64   0.004% *  1.0359% (0.80   0.02   0.02) =   0.000%
          HD1   TRP   49 - HB2   LEU  115  16.84 +/- 0.59   0.009% *  0.3993% (0.31   0.02   0.02) =   0.000%
          HN    THR   23 - HB2   LEU  115  23.59 +/- 0.57   0.001% *  1.2484% (0.97   0.02   0.02) =   0.000%
          HD2   HIS   22 - HB2   LEU  115  22.51 +/- 1.62   0.002% *  0.2560% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 2 structures by 0.06 A, kept.
 
    Peak 3250 (8.18, 1.98, 42.01 ppm):
    5 chemical-shift based assignments, quality = 0.781, support = 7.46, residual support = 91.4:
          HN    GLN  116 - HB2   LEU  115   3.33 +/- 0.24  79.503% * 80.3957% (0.80   7.61  94.76) =  95.628%  kept
          HN    GLU- 114 - HB2   LEU  115   4.42 +/- 0.20  15.318% * 18.9878% (0.34   4.22  17.64) =   4.352%  kept
          HN    THR  118 - HB2   LEU  115   5.42 +/- 0.12   4.593% *  0.2587% (0.98   0.02   0.13) =   0.018%
          HN    PHE   60 - HB2   LEU  115   7.72 +/- 0.35   0.585% *  0.2587% (0.98   0.02   0.02) =   0.002%
          HN    GLU-  15 - HB2   LEU  115  23.82 +/- 0.94   0.001% *  0.0991% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.32 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3251 (8.40, 1.98, 42.01 ppm):
    3 chemical-shift based assignments, quality = 0.897, support = 7.12, residual support = 228.5:
      O   HN    LEU  115 - HB2   LEU  115   2.06 +/- 0.10  99.342% * 99.6336% (0.90   7.12 228.53) =  99.999%  kept
          HN    ASP- 113 - HB2   LEU  115   4.87 +/- 0.35   0.655% *  0.0867% (0.28   0.02   0.02) =   0.001%
          HN    PHE   97 - HB2   LEU  115  11.95 +/- 0.63   0.003% *  0.2797% (0.90   0.02   0.02) =   0.000%
    Distance limit 3.11 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 = 0.591, support = 5.67, residual support = 66.3:
      O   HN    GLN  116 - HA    LEU  115   3.62 +/- 0.01  11.289% * 53.7939% (0.82   7.59  94.76) =  56.448%  kept
      O   HN    GLU- 114 - HA    GLU- 114   2.80 +/- 0.03  52.881% *  6.2740% (0.19   3.80  39.38) =  30.838%  kept
          HN    THR  118 - HA    LEU  115   3.23 +/- 0.21  24.070% *  2.8477% (0.67   0.49   0.13) =   6.371%  kept
          HN    GLU- 114 - HA    LEU  115   5.13 +/- 0.11   1.424% * 29.3306% (0.70   4.86  17.64) =   3.881%  kept
          HN    GLN  116 - HA    GLU- 114   4.58 +/- 0.12   2.836% *  5.9732% (0.22   3.08   0.27) =   1.575%
          HN    THR  118 - HA    GLU- 114   3.99 +/- 0.29   7.334% *  1.2995% (0.18   0.82   0.43) =   0.886%
          HN    PHE   60 - HA    LEU  115   8.15 +/- 0.41   0.094% *  0.0819% (0.47   0.02   0.02) =   0.001%
          HN    PHE   60 - HA    ARG+  54   8.81 +/- 0.55   0.058% *  0.0459% (0.27   0.02   0.02) =   0.000%
          HN    GLN  116 - HA    ARG+  54  14.06 +/- 0.23   0.003% *  0.0795% (0.46   0.02   0.02) =   0.000%
          HN    GLU- 114 - HA    ARG+  54  15.10 +/- 0.32   0.002% *  0.0677% (0.39   0.02   0.02) =   0.000%
          HN    PHE   60 - HA    GLU- 114  12.79 +/- 0.36   0.006% *  0.0224% (0.13   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    LEU  115  16.62 +/- 0.44   0.001% *  0.0648% (0.37   0.02   0.02) =   0.000%
          HN    THR  118 - HA    ARG+  54  16.82 +/- 0.23   0.001% *  0.0649% (0.37   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    ARG+  54  22.11 +/- 0.62   0.000% *  0.0364% (0.21   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLU- 114  20.55 +/- 0.50   0.000% *  0.0177% (0.10   0.02   0.02) =   0.000%
    Distance limit 3.45 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 = 0.728, support = 7.44, residual support = 220.4:
      O   HN    LEU  115 - HA    LEU  115   2.78 +/- 0.03  80.285% * 83.7739% (0.75   7.54 228.53) =  96.154%  kept
      O   HN    LEU  115 - HA    GLU- 114   3.59 +/- 0.03  17.276% * 15.5672% (0.20   5.12  17.64) =   3.845%  kept
          HN    ASP- 113 - HA    GLU- 114   5.19 +/- 0.11   1.914% *  0.0189% (0.06   0.02  21.33) =   0.001%
          HN    ASP- 113 - HA    LEU  115   6.58 +/- 0.14   0.461% *  0.0689% (0.23   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    LEU  115   9.94 +/- 0.37   0.040% *  0.2223% (0.75   0.02   0.02) =   0.000%
          HN    LEU  115 - HA    ARG+  54  13.63 +/- 0.34   0.006% *  0.1247% (0.42   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    GLU- 114  12.24 +/- 0.42   0.011% *  0.0608% (0.20   0.02   0.02) =   0.000%
          HN    ASP- 113 - HA    ARG+  54  13.82 +/- 0.29   0.005% *  0.0386% (0.13   0.02   0.02) =   0.000%
          HN    PHE   97 - HA    ARG+  54  19.68 +/- 0.44   0.001% *  0.1247% (0.42   0.02   0.02) =   0.000%
    Distance limit 3.34 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 = 228.5:
          HN    LEU  115 - HG    LEU  115   3.44 +/- 0.52  91.226% * 99.4338% (0.78   7.36 228.53) =  99.992%  kept
          HN    ASP- 113 - HG    LEU  115   5.32 +/- 1.00   7.236% *  0.0838% (0.24   0.02   0.02) =   0.007%
          HN    PHE   97 - HG    LEU   40   7.56 +/- 0.42   1.467% *  0.0918% (0.26   0.02   1.24) =   0.001%
          HN    PHE   97 - HG    LEU  115  13.23 +/- 0.68   0.056% *  0.2703% (0.78   0.02   0.02) =   0.000%
          HN    LEU  115 - HG    LEU   40  16.28 +/- 0.48   0.012% *  0.0918% (0.26   0.02   0.02) =   0.000%
          HN    ASP- 113 - HG    LEU   40  20.12 +/- 0.45   0.003% *  0.0285% (0.08   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 5 structures by 0.12 A, kept.
 
    Peak 3255 (6.91, 0.43, 25.13 ppm):
    1 chemical-shift based assignment, quality = 0.867, support = 0.02, residual support = 0.02:
          HN    LYS+  65 - QD1   LEU  115   9.99 +/- 0.58 100.000% *100.0000% (0.87   0.02   0.02) = 100.000%  kept
    Distance limit 3.84 A violated in 20 structures by 6.15 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 = 5.97:
          QE    PHE   95 - QD1   LEU  115   2.91 +/- 0.48  77.418% * 93.5487% (0.57   1.50   6.01) =  99.355%  kept
          QD    PHE   55 - QD1   LEU  115   3.76 +/- 0.46  22.554% *  2.0841% (0.95   0.02   0.02) =   0.645%
          HN    LEU   67 - QD1   LEU  115  11.41 +/- 0.41   0.024% *  0.4360% (0.20   0.02   0.02) =   0.000%
          HE3   TRP   27 - QD1   LEU  115  16.20 +/- 0.45   0.003% *  2.1595% (0.98   0.02   0.02) =   0.000%
          HN    THR   23 - QD1   LEU  115  19.50 +/- 0.48   0.001% *  1.1591% (0.53   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD1   LEU  115  19.60 +/- 0.40   0.001% *  0.6126% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.12 A violated in 3 structures by 0.12 A, kept.
 
    Peak 3257 (7.19, 0.43, 25.13 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 2.94, residual support = 20.0:
          QD    PHE   59 - QD1   LEU  115   2.66 +/- 0.43  99.977% * 98.0613% (0.95   2.94  19.98) = 100.000%  kept
          HH2   TRP   49 - QD1   LEU  115  11.57 +/- 0.70   0.021% *  0.5896% (0.84   0.02   0.02) =   0.000%
          HE21  GLN   30 - QD1   LEU  115  17.32 +/- 0.77   0.002% *  0.6813% (0.97   0.02   0.02) =   0.000%
          HD1   TRP   27 - QD1   LEU  115  19.62 +/- 0.43   0.001% *  0.6678% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.47 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 = 6.01:
          QD    PHE   95 - QD2   LEU  115   4.85 +/- 0.49  99.703% * 75.7271% (0.84   0.02   6.01) =  99.905%  kept
          HN    ALA   47 - QD2   LEU  115  13.15 +/- 0.16   0.297% * 24.2729% (0.27   0.02   0.02) =   0.095%
    Distance limit 3.45 A violated in 20 structures by 1.40 A, eliminated.
    Peak unassigned.
 
    Peak 3259 (7.25, 0.59, 23.43 ppm):
    5 chemical-shift based assignments, quality = 0.893, support = 2.81, residual support = 20.0:
          QE    PHE   59 - QD2   LEU  115   3.24 +/- 0.67  79.486% * 83.9917% (0.89   2.92  19.98) =  95.697%  kept
          HN    PHE   59 - QD2   LEU  115   4.24 +/- 0.23  19.715% * 15.2146% (0.93   0.51  19.98) =   4.300%  kept
          HN    HIS  122 - QD2   LEU  115   7.17 +/- 0.48   0.627% *  0.2798% (0.43   0.02   0.02) =   0.003%
          HN    LYS+  66 - QD2   LEU  115   8.96 +/- 0.43   0.168% *  0.2798% (0.43   0.02   0.02) =   0.001%
          HH2   TRP   87 - QD2   LEU  115  16.46 +/- 0.76   0.005% *  0.2342% (0.36   0.02   0.02) =   0.000%
    Distance limit 2.89 A violated in 4 structures by 0.19 A, kept.
 
    Peak 3260 (1.01, 4.01, 60.31 ppm):
    8 chemical-shift based assignments, quality = 0.607, support = 4.0, residual support = 14.9:
        T QD1   ILE  119 - HA    GLN  116   3.29 +/- 0.27  99.723% * 97.9045% (0.61   4.00  14.91) =  99.999%  kept
          QD1   LEU   67 - HA    GLN  116  10.82 +/- 2.06   0.142% *  0.2756% (0.34   0.02   0.02) =   0.000%
          QD2   LEU   40 - HA    GLN  116  12.95 +/- 0.51   0.032% *  0.3033% (0.38   0.02   0.02) =   0.000%
          QG2   VAL  108 - HA    GLN  116  11.84 +/- 0.24   0.050% *  0.1599% (0.20   0.02   0.02) =   0.000%
          QG2   ILE  103 - HA    GLN  116  13.41 +/- 0.45   0.026% *  0.2015% (0.25   0.02   0.02) =   0.000%
          HB2   LEU  104 - HA    GLN  116  14.06 +/- 0.44   0.020% *  0.2494% (0.31   0.02   0.02) =   0.000%
          HB    VAL   75 - HA    GLN  116  20.08 +/- 0.41   0.002% *  0.7644% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HA    GLN  116  17.89 +/- 1.02   0.005% *  0.1415% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.31 A violated in 2 structures by 0.07 A, kept.
 
    Peak 3261 (0.59, 4.01, 60.31 ppm):
    7 chemical-shift based assignments, quality = 0.923, support = 6.31, residual support = 94.8:
          QD2   LEU  115 - HA    GLN  116   1.97 +/- 0.19  99.788% * 98.5635% (0.92   6.31  94.76) = 100.000%  kept
          QD1   LEU   63 - HA    GLN  116   6.57 +/- 0.66   0.085% *  0.3320% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   63 - HA    GLN  116   6.32 +/- 0.60   0.125% *  0.1518% (0.45   0.02   0.02) =   0.000%
          QD1   LEU  104 - HA    GLN  116  13.00 +/- 0.41   0.001% *  0.2326% (0.69   0.02   0.02) =   0.000%
          QD1   LEU   73 - HA    GLN  116  17.89 +/- 0.36   0.000% *  0.3320% (0.98   0.02   0.02) =   0.000%
          QD2   LEU   80 - HA    GLN  116  21.45 +/- 0.61   0.000% *  0.3037% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   83 - HA    GLN  116  22.50 +/- 0.79   0.000% *  0.0844% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 2.96, residual support = 14.9:
          HN    ILE  119 - HA    GLN  116   3.48 +/- 0.14  99.995% * 97.5882% (0.57   2.96  14.91) = 100.000%  kept
          HN    CYS   21 - HA    GLN  116  21.96 +/- 0.33   0.002% *  1.1243% (0.97   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    GLN  116  21.07 +/- 0.39   0.002% *  0.3974% (0.34   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    GLN  116  26.89 +/- 0.41   0.000% *  0.6596% (0.57   0.02   0.02) =   0.000%
          HN    SER   37 - HA    GLN  116  26.45 +/- 0.54   0.001% *  0.2306% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.56 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3263 (8.17, 4.01, 60.31 ppm):
    5 chemical-shift based assignments, quality = 0.958, support = 6.84, residual support = 109.6:
      O   HN    GLN  116 - HA    GLN  116   2.73 +/- 0.03  93.511% * 73.4204% (0.98   7.00 112.17) =  97.734%  kept
          HN    THR  118 - HA    GLN  116   4.31 +/- 0.15   6.078% * 26.1837% (0.80   3.06   0.02) =   2.265%
          HN    GLU- 114 - HA    GLN  116   6.91 +/- 0.11   0.355% *  0.1787% (0.84   0.02   0.27) =   0.001%
          HN    PHE   60 - HA    GLN  116   9.47 +/- 0.23   0.055% *  0.1212% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - HA    GLN  116  18.37 +/- 0.54   0.001% *  0.0959% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.45 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   3.04 +/- 0.39  99.776% * 76.9360% (0.49   0.75   1.50) =  99.989%  kept
          HA    ILE   56 - HB2   GLN  116   9.33 +/- 0.41   0.161% *  4.0677% (0.97   0.02   0.02) =   0.009%
          HA    LEU  123 - HB2   GLN  116  12.68 +/- 0.33   0.025% *  4.2056% (1.00   0.02   0.02) =   0.001%
        T HA    PRO   58 - HB2   GLN  116  12.29 +/- 0.61   0.035% *  1.7328% (0.41   0.02   0.02) =   0.001%
          HA    LYS+  99 - HB2   GLN  116  21.39 +/- 0.38   0.001% *  3.5206% (0.84   0.02   0.02) =   0.000%
          HA    LEU   40 - HB2   GLN  116  20.68 +/- 0.39   0.001% *  2.3863% (0.57   0.02   0.02) =   0.000%
          HA    ASN   35 - HB2   GLN  116  27.85 +/- 0.48   0.000% *  3.9872% (0.95   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB2   GLN  116  25.18 +/- 0.45   0.000% *  1.5819% (0.38   0.02   0.02) =   0.000%
          HA    SER   13 - HB2   GLN  116  31.27 +/- 0.92   0.000% *  1.5819% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 94.7:
          QD2   LEU  115 - HB2   GLN  116   3.66 +/- 0.38  98.542% * 97.2622% (0.45   6.31  94.76) =  99.991%  kept
          QD2   LEU   63 - HB2   GLN  116   8.66 +/- 0.58   0.716% *  0.6352% (0.92   0.02   0.02) =   0.005%
          QD1   LEU   63 - HB2   GLN  116   8.64 +/- 0.64   0.685% *  0.5510% (0.80   0.02   0.02) =   0.004%
          QD1   LEU  104 - HB2   GLN  116  14.57 +/- 0.34   0.028% *  0.1532% (0.22   0.02   0.02) =   0.000%
          QD1   LEU   73 - HB2   GLN  116  19.66 +/- 0.38   0.005% *  0.5510% (0.80   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB2   GLN  116  16.39 +/- 0.72   0.014% *  0.1532% (0.22   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB2   GLN  116  18.13 +/- 0.48   0.007% *  0.2582% (0.38   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB2   GLN  116  22.65 +/- 0.55   0.002% *  0.2829% (0.41   0.02   0.02) =   0.000%
          QD1   LEU   80 - HB2   GLN  116  23.06 +/- 1.43   0.002% *  0.1532% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.95 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3266 (0.59, 2.54, 34.75 ppm):
    7 chemical-shift based assignments, quality = 1.0, support = 6.66, residual support = 94.8:
          QD2   LEU  115 - HG2   GLN  116   2.41 +/- 0.41  99.753% * 98.7353% (1.00   6.66  94.76) = 100.000%  kept
          QD1   LEU   63 - HG2   GLN  116   7.81 +/- 0.77   0.120% *  0.2478% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   63 - HG2   GLN  116   7.75 +/- 0.82   0.121% *  0.0740% (0.25   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG2   GLN  116  14.77 +/- 0.44   0.005% *  0.2661% (0.90   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG2   GLN  116  18.96 +/- 0.36   0.001% *  0.2478% (0.84   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG2   GLN  116  22.06 +/- 0.63   0.000% *  0.2960% (1.00   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG2   GLN  116  23.29 +/- 0.87   0.000% *  0.1330% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3267 (7.40, 2.54, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.647, support = 4.41, residual support = 112.2:
      O   HE21  GLN  116 - HG2   GLN  116   2.49 +/- 0.51  98.712% * 98.5100% (0.65   4.41 112.17) =  99.997%  kept
          HN    ALA  120 - HG2   GLN  116   6.05 +/- 0.42   1.250% *  0.1918% (0.28   0.02   0.02) =   0.002%
          HN    ALA   57 - HG2   GLN  116  10.26 +/- 0.72   0.037% *  0.5010% (0.73   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG2   GLN  116  23.60 +/- 2.64   0.000% *  0.6763% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG2   GLN  116  30.33 +/- 0.84   0.000% *  0.1208% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.92 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 = 7.09, residual support = 112.2:
          HN    GLN  116 - HG2   GLN  116   2.92 +/- 0.19  97.693% * 99.0662% (0.80   7.09 112.17) =  99.993%  kept
          HN    THR  118 - HG2   GLN  116   6.03 +/- 0.32   1.520% *  0.3419% (0.98   0.02   0.02) =   0.005%
          HN    GLU- 114 - HG2   GLN  116   6.77 +/- 0.41   0.713% *  0.1190% (0.34   0.02   0.27) =   0.001%
          HN    PHE   60 - HG2   GLN  116   9.78 +/- 0.54   0.074% *  0.3419% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  15 - HG2   GLN  116  24.98 +/- 0.87   0.000% *  0.1309% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 0.615, support = 0.0196, residual support = 0.0196:
          QE    PHE   95 - HB2   GLN  116   8.37 +/- 0.41  47.849% * 15.3326% (0.76   0.02   0.02) =  66.381%  kept
          QD    PHE   55 - HB2   GLN  116   8.28 +/- 0.20  50.856% *  6.8436% (0.34   0.02   0.02) =  31.491%  kept
          HN    LEU   67 - HB2   GLN  116  16.07 +/- 0.35   0.959% * 20.0629% (1.00   0.02   0.02) =   1.741%
          HD1   TRP   49 - HB2   GLN  116  21.78 +/- 0.53   0.156% * 16.7579% (0.84   0.02   0.02) =   0.237%
          HD2   HIS   22 - HB2   GLN  116  27.34 +/- 1.40   0.042% * 13.7814% (0.69   0.02   0.02) =   0.052%
          HE3   TRP   27 - HB2   GLN  116  23.87 +/- 0.33   0.089% *  5.5782% (0.28   0.02   0.02) =   0.045%
          HN    THR   23 - HB2   GLN  116  28.58 +/- 0.36   0.030% * 16.0651% (0.80   0.02   0.02) =   0.044%
          HD21  ASN   35 - HB2   GLN  116  30.64 +/- 0.83   0.020% *  5.5782% (0.28   0.02   0.02) =   0.010%
    Distance limit 3.80 A violated in 20 structures by 3.60 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 = 112.2:
      O   HN    GLN  116 - HB2   GLN  116   2.18 +/- 0.05  98.703% * 99.2334% (0.98   7.00 112.17) =  99.997%  kept
          HN    THR  118 - HB2   GLN  116   5.01 +/- 0.22   0.697% *  0.2316% (0.80   0.02   0.02) =   0.002%
          HN    GLU- 114 - HB2   GLN  116   5.15 +/- 0.24   0.595% *  0.2416% (0.84   0.02   0.27) =   0.001%
          HN    PHE   60 - HB2   GLN  116  11.46 +/- 0.39   0.005% *  0.1638% (0.57   0.02   0.02) =   0.000%
          HN    LEU   71 - HB2   GLN  116  20.99 +/- 0.51   0.000% *  0.1297% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.30 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 = 4.88, residual support = 28.7:
          HN    SER  117 - HB2   GLN  116   2.85 +/- 0.18 100.000% * 99.5597% (0.98   4.88  28.71) = 100.000%  kept
          HN    GLY   16 - HB2   GLN  116  23.20 +/- 0.39   0.000% *  0.3477% (0.84   0.02   0.02) =   0.000%
          HN    SER   82 - HB2   GLN  116  29.28 +/- 0.48   0.000% *  0.0927% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 4.88, residual support = 28.7:
      O   HN    SER  117 - HA    GLN  116   3.61 +/- 0.02  99.996% * 99.5597% (0.98   4.88  28.71) = 100.000%  kept
          HN    GLY   16 - HA    GLN  116  20.38 +/- 0.40   0.003% *  0.3477% (0.84   0.02   0.02) =   0.000%
          HN    SER   82 - HA    GLN  116  28.45 +/- 0.39   0.000% *  0.0927% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.91 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 = 1.95, residual support = 5.97:
        T QB    ALA  120 - HA    SER  117   2.67 +/- 0.18  98.566% * 95.3664% (0.92   1.95   5.97) =  99.995%  kept
          HG    LEU  115 - HA    SER  117   7.47 +/- 0.53   0.247% *  0.9805% (0.92   0.02   1.98) =   0.003%
          HD2   LYS+ 121 - HA    SER  117   6.73 +/- 1.65   1.046% *  0.1860% (0.18   0.02   0.02) =   0.002%
          HB3   LEU  115 - HA    SER  117   8.17 +/- 0.13   0.131% *  0.3986% (0.38   0.02   1.98) =   0.001%
          HG    LEU   67 - HA    SER  117  15.47 +/- 2.41   0.004% *  0.5170% (0.49   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    SER  117  16.75 +/- 0.41   0.002% *  1.0622% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - HA    SER  117  15.76 +/- 0.41   0.003% *  0.3986% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    SER  117  21.27 +/- 0.77   0.000% *  0.5588% (0.53   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    SER  117  18.34 +/- 0.52   0.001% *  0.2365% (0.22   0.02   0.02) =   0.000%
        T QG2   THR   26 - HA    SER  117  23.72 +/- 0.44   0.000% *  0.2953% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3274 (7.40, 4.24, 61.69 ppm):
    5 chemical-shift based assignments, quality = 0.376, support = 1.29, residual support = 12.0:
          HN    ALA  120 - HA    SER  117   3.63 +/- 0.08  93.057% * 16.6405% (0.28   1.00   5.97) =  73.385%  kept
          HE21  GLN  116 - HA    SER  117   6.08 +/- 0.87   6.924% * 81.1113% (0.65   2.10  28.71) =  26.614%  kept
          HN    ALA   57 - HA    SER  117  15.33 +/- 0.55   0.017% *  0.8677% (0.73   0.02   0.02) =   0.001%
          HE21  GLN   90 - HA    SER  117  24.14 +/- 3.12   0.002% *  1.1713% (0.98   0.02   0.02) =   0.000%
          HD21  ASN   35 - HA    SER  117  28.82 +/- 0.76   0.000% *  0.2093% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.73 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 = 3.53, residual support = 16.5:
      O   HN    SER  117 - HA    SER  117   2.80 +/- 0.03  99.999% * 99.4639% (0.57   3.53  16.47) = 100.000%  kept
          HN    GLY   16 - HA    SER  117  22.76 +/- 0.47   0.000% *  0.3392% (0.34   0.02   0.02) =   0.000%
          HN    ALA   20 - HA    SER  117  25.70 +/- 0.23   0.000% *  0.1968% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.33 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 = 0.171, support = 0.0194, residual support = 0.0194:
          HN    LYS+  81 - QB    SER   85   6.13 +/- 0.19  76.838% *  3.4992% (0.12   0.02   0.02) =  65.649%  kept
          QE    PHE   95 - QB    SER  117   8.75 +/- 0.47   9.555% *  4.5788% (0.15   0.02   0.02) =  10.683%  kept
          QD    PHE   55 - QB    SER  117  10.61 +/- 0.34   2.886% * 14.4446% (0.49   0.02   0.02) =  10.177%  kept
          HN    LYS+  81 - QB    SER   48   9.85 +/- 0.64   4.930% *  5.8981% (0.20   0.02   0.02) =   7.099%  kept
          QD    PHE   60 - QB    SER  117  12.53 +/- 0.44   1.083% * 12.2000% (0.41   0.02   0.02) =   3.225%  kept
          QD    PHE   60 - QB    SER   48  12.73 +/- 0.49   0.989% *  3.1728% (0.11   0.02   0.02) =   0.766%
          HE3   TRP   27 - QB    SER   85  12.33 +/- 0.55   1.188% *  2.5923% (0.09   0.02   0.02) =   0.752%
          HE3   TRP   27 - QB    SER   48  14.72 +/- 0.58   0.421% *  4.3694% (0.15   0.02   0.02) =   0.449%
          QD    PHE   55 - QB    SER   48  14.36 +/- 0.55   0.480% *  3.7566% (0.13   0.02   0.02) =   0.441%
          QE    PHE   95 - QB    SER   48  12.98 +/- 0.26   0.861% *  1.1908% (0.04   0.02   0.02) =   0.250%
          HE3   TRP   27 - QB    SER  117  20.99 +/- 0.39   0.048% * 16.8009% (0.57   0.02   0.02) =   0.196%
          QD    PHE   60 - QB    SER   85  15.78 +/- 0.26   0.266% *  1.8824% (0.06   0.02   0.02) =   0.122%
          HN    LYS+  81 - QB    SER  117  25.17 +/- 0.54   0.016% * 22.6789% (0.76   0.02   0.02) =   0.089%
          QE    PHE   95 - QB    SER   85  14.97 +/- 0.46   0.369% *  0.7065% (0.02   0.02   0.02) =   0.064%
          QD    PHE   55 - QB    SER   85  19.80 +/- 0.71   0.070% *  2.2287% (0.08   0.02   0.02) =   0.038%
    Distance limit 3.86 A violated in 20 structures by 2.04 A, eliminated.
    Peak unassigned.
 
    Peak 3280 (0.23, 3.88, 68.07 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 3.77, residual support = 36.3:
      O T QG2   THR  118 - HB    THR  118   2.16 +/- 0.01 100.000% *100.0000% (0.98   3.77  36.30) = 100.000%  kept
    Distance limit 3.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3281 (1.10, 3.88, 68.07 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 0.75, residual support = 2.5:
          QG1   VAL  107 - HB    THR  118   1.96 +/- 0.12  99.552% * 93.8577% (0.98   0.75   2.50) =  99.997%  kept
          HG13  ILE  119 - HB    THR  118   5.28 +/- 0.57   0.433% *  0.5685% (0.22   0.02  38.45) =   0.003%
          HD3   LYS+ 112 - HB    THR  118   9.00 +/- 1.14   0.015% *  2.1328% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   24 - HB    THR  118  21.05 +/- 0.97   0.000% *  2.3571% (0.92   0.02   0.02) =   0.000%
          HB3   LEU   31 - HB    THR  118  21.16 +/- 0.34   0.000% *  0.6367% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   24 - HB    THR  118  20.87 +/- 0.44   0.000% *  0.4472% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3282 (7.24, 3.88, 68.07 ppm):
    4 chemical-shift based assignments, quality = 0.448, support = 1.83, residual support = 5.94:
          QE    PHE   59 - HB    THR  118   2.95 +/- 0.57  98.883% * 93.9812% (0.45   1.83   5.94) =  99.975%  kept
          HN    HIS  122 - HB    THR  118   6.83 +/- 0.17   0.989% *  2.1159% (0.92   0.02   2.28) =   0.023%
          HN    PHE   59 - HB    THR  118   9.38 +/- 0.48   0.123% *  1.9146% (0.84   0.02   5.94) =   0.003%
          HH2   TRP   87 - HB    THR  118  16.45 +/- 0.51   0.006% *  1.9883% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.97 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3283 (8.18, 3.88, 68.07 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 3.66, residual support = 36.3:
      O   HN    THR  118 - HB    THR  118   2.02 +/- 0.05  99.293% * 98.6271% (0.98   3.66  36.30) =  99.997%  kept
          HN    GLN  116 - HB    THR  118   4.83 +/- 0.17   0.563% *  0.4402% (0.80   0.02   0.02) =   0.003%
          HN    GLU- 114 - HB    THR  118   6.12 +/- 0.19   0.134% *  0.1875% (0.34   0.02   0.43) =   0.000%
          HN    PHE   60 - HB    THR  118   9.56 +/- 0.46   0.010% *  0.5388% (0.98   0.02   0.02) =   0.000%
          HN    GLU-  15 - HB    THR  118  23.20 +/- 0.66   0.000% *  0.2063% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3284 (0.26, 3.69, 67.42 ppm):
    1 chemical-shift based assignment, quality = 0.138, support = 3.77, residual support = 36.3:
      O T QG2   THR  118 - HA    THR  118   2.77 +/- 0.11 100.000% *100.0000% (0.14   3.77  36.30) = 100.000%  kept
    Distance limit 3.08 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3286 (1.10, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.867, support = 0.0197, residual support = 2.46:
          QG1   VAL  107 - HA    THR  118   3.83 +/- 0.06  94.584% * 28.9511% (0.88   0.02   2.50) =  98.604%  kept
        T HG13  ILE  119 - HA    THR  118   6.30 +/- 0.41   5.237% *  6.5757% (0.20   0.02  38.45) =   1.240%
          HD3   LYS+ 112 - HA    THR  118  11.23 +/- 1.09   0.171% * 24.6705% (0.75   0.02   0.02) =   0.152%
          QG1   VAL   24 - HA    THR  118  22.16 +/- 0.99   0.003% * 27.2651% (0.83   0.02   0.02) =   0.003%
          HB3   LEU   31 - HA    THR  118  21.30 +/- 0.38   0.003% *  7.3649% (0.22   0.02   0.02) =   0.001%
          QG2   VAL   24 - HA    THR  118  21.74 +/- 0.42   0.003% *  5.1727% (0.16   0.02   0.02) =   0.001%
    Distance limit 3.48 A violated in 17 structures by 0.34 A, eliminated.
    Peak unassigned.
 
    Peak 3287 (1.50, 3.69, 67.42 ppm):
    10 chemical-shift based assignments, quality = 0.667, support = 1.96, residual support = 6.92:
          HD2   LYS+ 121 - HA    THR  118   4.44 +/- 1.63  34.544% * 76.3236% (0.89   1.92   6.92) =  66.643%  kept
        T HB3   LYS+ 121 - HA    THR  118   2.94 +/- 0.65  65.365% * 20.1888% (0.22   2.02   6.92) =  33.357%  kept
          QD    LYS+  66 - HA    THR  118  12.62 +/- 1.01   0.012% *  0.5817% (0.65   0.02   0.02) =   0.000%
          HG    LEU  104 - HA    THR  118  10.50 +/- 0.33   0.028% *  0.1997% (0.22   0.02   0.02) =   0.000%
          HB3   LYS+ 111 - HA    THR  118   9.92 +/- 0.29   0.039% *  0.1403% (0.16   0.02   0.02) =   0.000%
          HB3   LEU   40 - HA    THR  118  12.71 +/- 0.37   0.008% *  0.1783% (0.20   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HA    THR  118  16.95 +/- 0.59   0.002% *  0.8010% (0.90   0.02   0.02) =   0.000%
          HB2   LYS+  74 - HA    THR  118  18.20 +/- 0.78   0.001% *  0.6691% (0.75   0.02   0.02) =   0.000%
          QG2   THR   26 - HA    THR  118  20.51 +/- 0.45   0.000% *  0.7939% (0.89   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HA    THR  118  17.40 +/- 0.74   0.001% *  0.1236% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3288 (2.05, 3.69, 67.42 ppm):
    12 chemical-shift based assignments, quality = 0.666, support = 0.0194, residual support = 37.3:
        T HB    ILE  119 - HA    THR  118   5.74 +/- 0.07  96.869% * 11.7350% (0.69   0.02  38.45) =  97.110%  kept
          HB    VAL  108 - HA    THR  118  11.37 +/- 0.44   1.669% * 14.5256% (0.85   0.02   0.02) =   2.071%
          HB2   PRO   93 - HA    THR  118  14.81 +/- 0.19   0.330% * 14.5256% (0.85   0.02   0.02) =   0.409%
          HG2   PRO   58 - HA    THR  118  13.21 +/- 0.46   0.669% *  2.6892% (0.16   0.02   0.02) =   0.154%
          HB2   ARG+  54 - HA    THR  118  19.76 +/- 0.37   0.059% * 15.0514% (0.88   0.02   0.02) =   0.076%
          HB3   GLU- 100 - HA    THR  118  18.81 +/- 0.67   0.081% * 10.5478% (0.62   0.02   0.02) =   0.073%
          HB2   GLN   30 - HA    THR  118  21.31 +/- 0.42   0.037% * 11.7350% (0.69   0.02   0.02) =   0.037%
          HB3   PRO   68 - HA    THR  118  17.42 +/- 1.62   0.152% *  2.3693% (0.14   0.02   0.02) =   0.031%
          HG3   PRO   52 - HA    THR  118  18.25 +/- 0.57   0.096% *  2.6892% (0.16   0.02   0.02) =   0.022%
          HG3   GLN   30 - HA    THR  118  23.23 +/- 0.60   0.022% *  6.8843% (0.40   0.02   0.02) =   0.013%
          HB2   GLU-  14 - HA    THR  118  25.48 +/- 1.46   0.014% *  3.4187% (0.20   0.02   0.02) =   0.004%
          HG2   MET   11 - HA    THR  118  32.96 +/- 2.36   0.003% *  3.8289% (0.22   0.02   0.02) =   0.001%
    Distance limit 3.86 A violated in 20 structures by 1.88 A, eliminated.
    Peak unassigned.
 
    Peak 3289 (2.28, 3.69, 67.42 ppm):
    8 chemical-shift based assignments, quality = 0.395, support = 0.0196, residual support = 37.8:
        T HG12  ILE  119 - HA    THR  118   5.57 +/- 0.14  99.112% *  7.5582% (0.40   0.02  38.45) =  98.241%  kept
          HB2   ASP-  44 - HA    THR  118  14.04 +/- 0.58   0.401% * 15.9474% (0.85   0.02   0.02) =   0.838%
          HB3   PHE   72 - HA    THR  118  14.73 +/- 0.51   0.295% * 14.6235% (0.78   0.02   0.02) =   0.567%
          QG    GLN   90 - HA    THR  118  17.96 +/- 1.59   0.109% * 13.4992% (0.72   0.02   0.02) =   0.193%
          QG    GLU-  15 - HA    THR  118  20.04 +/- 1.19   0.048% * 16.7092% (0.89   0.02   0.02) =   0.106%
          QG    GLU-  14 - HA    THR  118  23.18 +/- 1.63   0.022% * 15.5623% (0.83   0.02   0.02) =   0.044%
          QB    MET   11 - HA    THR  118  29.79 +/- 1.67   0.005% * 13.4992% (0.72   0.02   0.02) =   0.008%
          HB2   GLU-  29 - HA    THR  118  26.73 +/- 0.48   0.008% *  2.6012% (0.14   0.02   0.02) =   0.003%
    Distance limit 3.86 A violated in 20 structures by 1.70 A, eliminated.
    Peak unassigned.
 
    Peak 3290 (3.89, 3.69, 67.42 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.0, residual support = 36.3:
      O T HB    THR  118 - HA    THR  118   2.97 +/- 0.05  99.953% * 98.7465% (0.72   3.00  36.30) = 100.000%  kept
          HA    PHE   60 - HA    THR  118  10.97 +/- 0.40   0.041% *  0.1440% (0.16   0.02   0.02) =   0.000%
          HA    ILE   89 - HA    THR  118  16.71 +/- 0.48   0.003% *  0.3380% (0.37   0.02   0.02) =   0.000%
          HB    THR   39 - HA    THR  118  18.19 +/- 0.38   0.002% *  0.2286% (0.25   0.02   0.02) =   0.000%
          HB3   SER   37 - HA    THR  118  20.99 +/- 0.42   0.001% *  0.3380% (0.37   0.02   0.02) =   0.000%
          QB    SER   13 - HA    THR  118  25.09 +/- 1.09   0.000% *  0.2050% (0.22   0.02   0.02) =   0.000%
    Distance limit 2.95 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3291 (7.19, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.845, support = 0.0199, residual support = 5.92:
          QD    PHE   59 - HA    THR  118   6.95 +/- 0.30  99.646% * 25.6201% (0.85   0.02   5.94) =  99.659%  kept
          HE21  GLN   30 - HA    THR  118  20.84 +/- 0.75   0.143% * 26.1376% (0.87   0.02   0.02) =   0.146%
          HH2   TRP   49 - HA    THR  118  21.13 +/- 0.67   0.133% * 22.6222% (0.75   0.02   0.02) =   0.117%
          HD1   TRP   27 - HA    THR  118  23.01 +/- 0.37   0.078% * 25.6201% (0.85   0.02   0.02) =   0.078%
    Distance limit 3.49 A violated in 20 structures by 3.46 A, eliminated.
    Peak unassigned.
 
    Peak 3292 (7.48, 3.69, 67.42 ppm):
    3 chemical-shift based assignments, quality = 0.471, support = 0.02, residual support = 0.02:
          HN    LEU  123 - HA    THR  118   6.90 +/- 0.20  99.768% * 43.4534% (0.47   0.02   0.02) =  99.829%  kept
          HZ2   TRP   49 - HA    THR  118  20.42 +/- 0.75   0.153% * 40.2018% (0.44   0.02   0.02) =   0.141%
          HE21  GLN   17 - HA    THR  118  22.88 +/- 1.16   0.080% * 16.3448% (0.18   0.02   0.02) =   0.030%
    Distance limit 3.88 A violated in 20 structures by 3.02 A, eliminated.
    Peak unassigned.
 
    Peak 3293 (7.93, 3.69, 67.42 ppm):
    5 chemical-shift based assignments, quality = 0.508, support = 5.86, residual support = 38.5:
      O   HN    ILE  119 - HA    THR  118   3.60 +/- 0.02  99.989% * 98.7682% (0.51   5.86  38.45) = 100.000%  kept
          HN    CYS   21 - HA    THR  118  21.38 +/- 0.31   0.002% *  0.5742% (0.87   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    THR  118  18.11 +/- 0.42   0.006% *  0.2030% (0.31   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    THR  118  23.65 +/- 0.31   0.001% *  0.3369% (0.51   0.02   0.02) =   0.000%
          HN    SER   37 - HA    THR  118  22.59 +/- 0.32   0.002% *  0.1177% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.53 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3294 (8.20, 3.69, 67.42 ppm):
    4 chemical-shift based assignments, quality = 0.508, support = 3.69, residual support = 36.3:
      O   HN    THR  118 - HA    THR  118   2.85 +/- 0.02  99.441% * 98.1434% (0.51   3.69  36.30) =  99.998%  kept
          HN    GLN  116 - HA    THR  118   6.80 +/- 0.08   0.539% *  0.2899% (0.28   0.02   0.02) =   0.002%
          HN    PHE   60 - HA    THR  118  11.74 +/- 0.35   0.021% *  0.7520% (0.72   0.02   0.02) =   0.000%
          HN    GLU-  15 - HA    THR  118  23.71 +/- 0.70   0.000% *  0.8147% (0.78   0.02   0.02) =   0.000%
    Distance limit 3.79 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3295 (3.70, 3.88, 68.07 ppm):
    7 chemical-shift based assignments, quality = 0.39, support = 3.19, residual support = 36.5:
      O T HA    THR  118 - HB    THR  118   2.97 +/- 0.05  95.303% * 30.1088% (0.38   3.00  36.30) =  90.057%  kept
          HA    ILE  119 - HB    THR  118   4.95 +/- 0.16   4.608% * 68.7512% (0.53   4.89  38.45) =   9.943%  kept
          HD3   PRO   58 - HB    THR  118  10.91 +/- 0.46   0.041% *  0.2603% (0.49   0.02   0.02) =   0.000%
          HA2   GLY  109 - HB    THR  118  10.70 +/- 0.31   0.044% *  0.0825% (0.15   0.02   0.02) =   0.000%
          HA    VAL   75 - HB    THR  118  18.71 +/- 0.26   0.002% *  0.4087% (0.76   0.02   0.02) =   0.000%
          HA    ALA   84 - HB    THR  118  17.89 +/- 0.42   0.002% *  0.1487% (0.28   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB    THR  118  21.86 +/- 0.33   0.001% *  0.2398% (0.45   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.11 A, kept.
 
    Peak 3296 (1.11, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.521, support = 2.44, residual support = 6.99:
          QG1   VAL  107 - QG2   THR  118   1.99 +/- 0.22  95.868% * 22.8284% (0.51   2.00   2.50) =  87.505%  kept
          HG13  ILE  119 - QG2   THR  118   3.54 +/- 0.42   4.110% * 76.0383% (0.62   5.49  38.45) =  12.495%  kept
          HD3   LYS+ 112 - QG2   THR  118   8.60 +/- 1.09   0.020% *  0.3891% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   31 - QG2   THR  118  15.79 +/- 0.31   0.000% *  0.2928% (0.65   0.02   0.02) =   0.000%
          QG1   VAL   24 - QG2   THR  118  16.43 +/- 0.80   0.000% *  0.3616% (0.80   0.02   0.02) =   0.000%
          QB    ALA   20 - QG2   THR  118  13.83 +/- 0.30   0.001% *  0.0898% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.22 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3297 (1.88, 0.24, 20.84 ppm):
    13 chemical-shift based assignments, quality = 0.266, support = 1.5, residual support = 4.47:
        T HB3   ASP- 105 - QG2   THR  118   3.33 +/- 0.17  96.002% * 29.2143% (0.25   1.50   4.62) =  93.354%  kept
          QB    LYS+ 106 - QG2   THR  118   5.89 +/- 0.12   3.224% * 61.7034% (0.51   1.56   2.31) =   6.622%  kept
          HB    ILE   56 - QG2   THR  118   8.79 +/- 0.27   0.299% *  1.3253% (0.85   0.02   0.02) =   0.013%
          HB3   PRO   58 - QG2   THR  118   9.43 +/- 0.28   0.196% *  0.9623% (0.62   0.02   0.02) =   0.006%
          HB    ILE  103 - QG2   THR  118   9.90 +/- 0.22   0.142% *  0.3119% (0.20   0.02   0.02) =   0.001%
          HB2   MET   92 - QG2   THR  118  12.54 +/- 0.33   0.035% *  1.2152% (0.78   0.02   0.02) =   0.001%
          HG3   PRO   68 - QG2   THR  118  12.44 +/- 1.62   0.049% *  0.2773% (0.18   0.02   0.02) =   0.000%
          HB3   GLN   30 - QG2   THR  118  15.46 +/- 0.35   0.010% *  1.3520% (0.87   0.02   0.02) =   0.000%
          HB3   LYS+  38 - QG2   THR  118  16.39 +/- 0.44   0.007% *  1.3979% (0.89   0.02   0.02) =   0.000%
          HB3   GLN   90 - QG2   THR  118  15.61 +/- 0.75   0.010% *  0.6281% (0.40   0.02   0.02) =   0.000%
          HG2   ARG+  54 - QG2   THR  118  14.84 +/- 0.73   0.013% *  0.3493% (0.22   0.02   0.02) =   0.000%
          QB    LYS+  33 - QG2   THR  118  15.91 +/- 0.37   0.008% *  0.5258% (0.34   0.02   0.02) =   0.000%
          QB    LYS+  81 - QG2   THR  118  17.36 +/- 0.37   0.005% *  0.7371% (0.47   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3298 (2.25, 0.24, 20.84 ppm):
    11 chemical-shift based assignments, quality = 0.761, support = 4.67, residual support = 33.5:
          HG12  ILE  119 - QG2   THR  118   3.10 +/- 0.49  51.581% * 83.2167% (0.80   5.21  38.45) =  85.465%  kept
        T HB2   ASP- 105 - QG2   THR  118   3.09 +/- 0.15  48.248% * 15.1300% (0.51   1.50   4.62) =  14.535%  kept
          HB2   ASP-  44 - QG2   THR  118   8.88 +/- 0.46   0.094% *  0.1337% (0.34   0.02   0.02) =   0.000%
          HB3   PHE   72 - QG2   THR  118   9.77 +/- 0.48   0.048% *  0.1734% (0.44   0.02   0.02) =   0.000%
          HG3   MET   92 - QG2   THR  118  13.59 +/- 0.56   0.007% *  0.3289% (0.83   0.02   0.02) =   0.000%
          QG    GLN   90 - QG2   THR  118  13.25 +/- 1.09   0.009% *  0.2017% (0.51   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QG2   THR  118  14.06 +/- 0.45   0.005% *  0.0991% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  15 - QG2   THR  118  14.91 +/- 0.96   0.004% *  0.0991% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  14 - QG2   THR  118  17.24 +/- 1.39   0.002% *  0.1465% (0.37   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QG2   THR  118  16.49 +/- 0.41   0.002% *  0.1215% (0.31   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QG2   THR  118  19.85 +/- 0.44   0.001% *  0.3493% (0.88   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3299 (3.70, 0.24, 20.84 ppm):
    7 chemical-shift based assignments, quality = 0.403, support = 4.27, residual support = 37.4:
      O T HA    THR  118 - QG2   THR  118   2.77 +/- 0.11  64.510% * 35.6037% (0.34   3.77  36.30) =  50.608%  kept
        T HA    ILE  119 - QG2   THR  118   3.09 +/- 0.17  35.399% * 63.3237% (0.47   4.78  38.45) =  49.392%  kept
          HD3   PRO   58 - QG2   THR  118   9.17 +/- 0.18   0.048% *  0.2449% (0.44   0.02   0.02) =   0.000%
          HA2   GLY  109 - QG2   THR  118   9.73 +/- 0.29   0.034% *  0.0776% (0.14   0.02   0.02) =   0.000%
          HA    VAL   75 - QG2   THR  118  14.36 +/- 0.16   0.003% *  0.3846% (0.69   0.02   0.02) =   0.000%
          HA    ALA   84 - QG2   THR  118  13.96 +/- 0.28   0.004% *  0.1399% (0.25   0.02   0.02) =   0.000%
          HB2   TRP   49 - QG2   THR  118  18.36 +/- 0.23   0.001% *  0.2256% (0.40   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3300 (3.89, 0.24, 20.84 ppm):
    6 chemical-shift based assignments, quality = 0.718, support = 3.77, residual support = 36.3:
      O T HB    THR  118 - QG2   THR  118   2.16 +/- 0.01  99.860% * 99.0000% (0.72   3.77  36.30) = 100.000%  kept
          HA    PHE   60 - QG2   THR  118   6.53 +/- 0.27   0.134% *  0.1149% (0.16   0.02   0.02) =   0.000%
          HA    ILE   89 - QG2   THR  118  11.98 +/- 0.38   0.004% *  0.2696% (0.37   0.02   0.02) =   0.000%
          HB    THR   39 - QG2   THR  118  13.68 +/- 0.33   0.002% *  0.1823% (0.25   0.02   0.02) =   0.000%
          HB3   SER   37 - QG2   THR  118  15.97 +/- 0.34   0.001% *  0.2696% (0.37   0.02   0.02) =   0.000%
          QB    SER   13 - QG2   THR  118  19.00 +/- 0.89   0.000% *  0.1635% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.02 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3301 (6.83, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 0.985, residual support = 2.28:
          HD2   HIS  122 - QG2   THR  118   2.96 +/- 0.27  99.653% * 96.5042% (0.90   0.99   2.28) =  99.995%  kept
          HE22  GLN  116 - QG2   THR  118   8.40 +/- 0.54   0.222% *  1.9550% (0.89   0.02   0.02) =   0.005%
          QD    PHE   45 - QG2   THR  118   9.21 +/- 0.15   0.123% *  0.7354% (0.34   0.02   0.02) =   0.001%
          HE22  GLN   17 - QG2   THR  118  17.74 +/- 0.77   0.003% *  0.8055% (0.37   0.02   0.02) =   0.000%
    Distance limit 3.04 A violated in 0 structures by 0.05 A, kept.
 
    Peak 3302 (7.19, 0.24, 20.84 ppm):
    4 chemical-shift based assignments, quality = 0.848, support = 0.02, residual support = 5.94:
          QD    PHE   59 - QG2   THR  118   3.76 +/- 0.15  99.940% * 25.6201% (0.85   0.02   5.94) =  99.942%  kept
          HE21  GLN   30 - QG2   THR  118  14.91 +/- 0.62   0.028% * 26.1376% (0.87   0.02   0.02) =   0.028%
          HH2   TRP   49 - QG2   THR  118  15.80 +/- 0.52   0.019% * 22.6222% (0.75   0.02   0.02) =   0.017%
          HD1   TRP   27 - QG2   THR  118  16.85 +/- 0.31   0.013% * 25.6201% (0.85   0.02   0.02) =   0.013%
    Distance limit 3.46 A violated in 10 structures by 0.30 A, eliminated.
    Peak unassigned.
 
    Peak 3303 (0.25, 3.69, 66.88 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 4.78, residual support = 38.5:
        T QG2   THR  118 - HA    ILE  119   3.09 +/- 0.17 100.000% *100.0000% (0.57   4.78  38.45) = 100.000%  kept
    Distance limit 3.74 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3304 (1.49, 3.69, 66.88 ppm):
    8 chemical-shift based assignments, quality = 0.45, support = 0.0192, residual support = 37.4:
          QB    ALA  120 - HA    ILE  119   5.01 +/- 0.01  75.724% *  9.2332% (0.45   0.02  48.62) =  74.276%  kept
          HD2   LYS+ 121 - HA    ILE  119   7.29 +/- 0.73   9.500% * 12.4912% (0.61   0.02   1.94) =  12.606%  kept
          HG    LEU  115 - HA    ILE  119   7.23 +/- 0.48   9.258% *  9.2332% (0.45   0.02  11.86) =   9.081%  kept
          QD    LYS+  66 - HA    ILE  119   8.51 +/- 1.03   4.501% *  5.1353% (0.25   0.02   0.02) =   2.455%
          HB3   LEU   40 - HA    ILE  119  11.42 +/- 0.64   0.578% * 14.1465% (0.69   0.02   0.02) =   0.869%
          HG2   LYS+  65 - HA    ILE  119  12.48 +/- 0.58   0.332% * 14.1465% (0.69   0.02   0.02) =   0.499%
          HB2   LYS+  74 - HA    ILE  119  15.82 +/- 0.87   0.081% * 19.8751% (0.97   0.02   0.02) =   0.170%
          QG2   THR   26 - HA    ILE  119  18.89 +/- 0.48   0.027% * 15.7389% (0.76   0.02   0.02) =   0.044%
    Distance limit 3.89 A violated in 20 structures by 0.94 A, eliminated.
    Peak unassigned.
 
    Peak 3305 (7.19, 3.69, 66.88 ppm):
    4 chemical-shift based assignments, quality = 0.945, support = 0.02, residual support = 13.6:
          QD    PHE   59 - HA    ILE  119   5.24 +/- 0.32  99.909% * 25.6201% (0.95   0.02  13.60) =  99.911%  kept
          HE21  GLN   30 - HA    ILE  119  18.86 +/- 0.97   0.050% * 26.1376% (0.97   0.02   0.02) =   0.051%
          HH2   TRP   49 - HA    ILE  119  21.20 +/- 0.67   0.024% * 22.6222% (0.84   0.02   0.02) =   0.021%
          HD1   TRP   27 - HA    ILE  119  22.52 +/- 0.47   0.017% * 25.6201% (0.95   0.02   0.02) =   0.017%
    Distance limit 3.28 A violated in 20 structures by 1.96 A, eliminated.
    Peak unassigned.
 
    Peak 3306 (7.92, 3.69, 66.88 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 8.19, residual support = 247.7:
      O   HN    ILE  119 - HA    ILE  119   2.80 +/- 0.02  99.997% * 99.3877% (0.98   8.19 247.74) = 100.000%  kept
          HN    CYS   21 - HA    ILE  119  19.29 +/- 0.34   0.001% *  0.2069% (0.84   0.02   0.02) =   0.000%
          HN    ILE   89 - HA    ILE  119  19.49 +/- 0.41   0.001% *  0.2069% (0.84   0.02   0.02) =   0.000%
          HN    SER   37 - HA    ILE  119  21.18 +/- 0.51   0.001% *  0.1602% (0.65   0.02   0.02) =   0.000%
          HN    LYS+  33 - HA    ILE  119  22.11 +/- 0.33   0.000% *  0.0382% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.41 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 = 0.296, support = 4.5, residual support = 39.3:
      O   HN    ALA  120 - HA    ILE  119   3.62 +/- 0.02  85.601% * 39.9918% (0.18   5.18  48.62) =  80.739%  kept
          HN    LEU  123 - HA    ILE  119   4.98 +/- 0.40  14.012% * 58.2610% (0.80   1.65   0.32) =  19.254%  kept
          HN    ALA  124 - HA    ILE  119   8.96 +/- 0.36   0.382% *  0.8649% (0.98   0.02   0.02) =   0.008%
          HE21  GLN   17 - HA    ILE  119  18.94 +/- 1.27   0.005% *  0.8823% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 2.37, residual support = 14.9:
          HA    GLN  116 - HB    ILE  119   2.79 +/- 0.20  99.989% * 96.3388% (0.84   2.37  14.91) = 100.000%  kept
          HA    VAL   70 - HB    ILE  119  15.19 +/- 0.53   0.004% *  0.8138% (0.84   0.02   0.02) =   0.000%
          HA    VAL   18 - HB    ILE  119  15.54 +/- 0.38   0.004% *  0.4437% (0.46   0.02   0.02) =   0.000%
          HA1   GLY   16 - HB    ILE  119  16.58 +/- 0.44   0.003% *  0.2603% (0.27   0.02   0.02) =   0.000%
          HB2   SER   37 - HB    ILE  119  22.65 +/- 0.74   0.000% *  0.5455% (0.56   0.02   0.02) =   0.000%
          HA    LYS+  33 - HB    ILE  119  25.69 +/- 0.44   0.000% *  0.6123% (0.63   0.02   0.02) =   0.000%
          HA    GLU-  29 - HB    ILE  119  27.85 +/- 0.32   0.000% *  0.4774% (0.49   0.02   0.02) =   0.000%
          HA    SER   48 - HB    ILE  119  23.41 +/- 0.54   0.000% *  0.1301% (0.13   0.02   0.02) =   0.000%
          HB2   SER   82 - HB    ILE  119  29.49 +/- 0.56   0.000% *  0.3781% (0.39   0.02   0.02) =   0.000%
    Distance limit 3.51 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3309 (7.44, 2.03, 38.31 ppm):
    6 chemical-shift based assignments, quality = 0.526, support = 5.12, residual support = 48.6:
          HN    ALA  120 - HB    ILE  119   2.60 +/- 0.15  90.715% * 98.5748% (0.53   5.12  48.62) =  99.983%  kept
          HE21  GLN  116 - HB    ILE  119   4.21 +/- 0.75   8.751% *  0.1584% (0.22   0.02  14.91) =   0.015%
          HN    LEU  123 - HB    ILE  119   6.30 +/- 0.32   0.488% *  0.1961% (0.27   0.02   0.32) =   0.001%
          HN    ALA  124 - HB    ILE  119   9.79 +/- 0.40   0.033% *  0.5087% (0.69   0.02   0.02) =   0.000%
          HN    ALA   57 - HB    ILE  119  11.53 +/- 0.72   0.013% *  0.1257% (0.17   0.02   0.02) =   0.000%
          HE21  GLN   17 - HB    ILE  119  20.15 +/- 1.53   0.000% *  0.4364% (0.60   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 7.52, residual support = 247.7:
      O   HN    ILE  119 - HB    ILE  119   2.30 +/- 0.11  99.999% * 99.3336% (0.85   7.52 247.74) = 100.000%  kept
          HN    CYS   21 - HB    ILE  119  20.75 +/- 0.46   0.000% *  0.2252% (0.72   0.02   0.02) =   0.000%
          HN    ILE   89 - HB    ILE  119  20.81 +/- 0.55   0.000% *  0.2252% (0.72   0.02   0.02) =   0.000%
          HN    SER   37 - HB    ILE  119  24.05 +/- 0.53   0.000% *  0.1744% (0.56   0.02   0.02) =   0.000%
          HN    LYS+  33 - HB    ILE  119  24.75 +/- 0.36   0.000% *  0.0416% (0.13   0.02   0.02) =   0.000%
    Distance limit 3.06 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3311 (3.97, 0.96, 17.56 ppm):
    12 chemical-shift based assignments, quality = 0.566, support = 3.84, residual support = 48.6:
          HA    ALA  120 - QG2   ILE  119   3.31 +/- 0.19  97.858% * 94.9001% (0.57   3.84  48.62) =  99.994%  kept
          HA    LYS+ 121 - QG2   ILE  119   6.46 +/- 0.18   1.808% *  0.1726% (0.20   0.02   1.94) =   0.003%
          HA    LYS+  65 - QG2   ILE  119   9.03 +/- 0.36   0.261% *  0.8250% (0.95   0.02   0.02) =   0.002%
          HA2   GLY   16 - QG2   ILE  119  13.10 +/- 0.44   0.028% *  0.7822% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - QG2   ILE  119  15.96 +/- 0.44   0.008% *  0.6665% (0.76   0.02   0.02) =   0.000%
          HB    THR   94 - QG2   ILE  119  13.68 +/- 0.29   0.020% *  0.2175% (0.25   0.02   0.02) =   0.000%
          QB    SER   85 - QG2   ILE  119  20.36 +/- 0.40   0.002% *  0.7822% (0.90   0.02   0.02) =   0.000%
          HA    ALA   88 - QG2   ILE  119  19.65 +/- 0.57   0.002% *  0.4589% (0.53   0.02   0.02) =   0.000%
          QB    SER   48 - QG2   ILE  119  19.13 +/- 0.35   0.003% *  0.2975% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   51 - QG2   ILE  119  17.16 +/- 0.45   0.005% *  0.1346% (0.15   0.02   0.02) =   0.000%
          HA    GLN   32 - QG2   ILE  119  21.37 +/- 0.44   0.001% *  0.4938% (0.57   0.02   0.02) =   0.000%
          HA    SER   48 - QG2   ILE  119  19.78 +/- 0.38   0.002% *  0.2692% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.57 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 = 0.596, support = 5.65, residual support = 47.0:
          HN    ALA  120 - QG2   ILE  119   3.14 +/- 0.24  74.565% * 79.5618% (0.61   5.75  48.62) =  96.601%  kept
          HN    LEU  123 - QG2   ILE  119   4.46 +/- 0.38  10.578% * 19.5557% (0.31   2.78   0.32) =   3.368%  kept
          HE21  GLN  116 - QG2   ILE  119   4.36 +/- 0.72  14.008% *  0.1137% (0.25   0.02  14.91) =   0.026%
          HN    ALA  124 - QG2   ILE  119   6.85 +/- 0.41   0.755% *  0.3652% (0.80   0.02   0.02) =   0.004%
          HN    ALA   57 - QG2   ILE  119   9.84 +/- 0.57   0.087% *  0.0903% (0.20   0.02   0.02) =   0.000%
          HE21  GLN   17 - QG2   ILE  119  15.38 +/- 1.29   0.007% *  0.3133% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.49 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 = 7.85, residual support = 247.7:
          HN    ILE  119 - QG2   ILE  119   3.67 +/- 0.04  99.977% * 99.2722% (0.80   7.85 247.74) = 100.000%  kept
          HN    ILE   89 - QG2   ILE  119  18.19 +/- 0.32   0.007% *  0.3049% (0.97   0.02   0.02) =   0.000%
          HN    SER   37 - QG2   ILE  119  19.08 +/- 0.53   0.005% *  0.3152% (1.00   0.02   0.02) =   0.000%
          HN    CYS   21 - QG2   ILE  119  16.83 +/- 0.36   0.011% *  0.1078% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 0.888, support = 2.2, residual support = 11.5:
          QD2   LEU  115 - HG12  ILE  119   2.11 +/- 0.67  85.596% * 83.3741% (0.90   2.25  11.86) =  97.284%  kept
          QD1   LEU   63 - HG12  ILE  119   3.49 +/- 0.99  14.392% * 13.8413% (0.57   0.59   0.02) =   2.716%  kept
          QD1   LEU  104 - HG12  ILE  119  10.84 +/- 0.45   0.008% *  0.8264% (1.00   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG12  ILE  119  14.88 +/- 0.67   0.001% *  0.4678% (0.57   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG12  ILE  119  13.04 +/- 0.48   0.002% *  0.1275% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG12  ILE  119  18.78 +/- 0.81   0.000% *  0.7628% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG12  ILE  119  19.85 +/- 0.74   0.000% *  0.6001% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.72 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 = 0.886, support = 2.22, residual support = 11.7:
          QD2   LEU  115 - HG13  ILE  119   3.27 +/- 0.64  31.417% * 96.2454% (0.90   2.25  11.86) =  98.790%  kept
          QD1   LEU   63 - HG13  ILE  119   2.68 +/- 0.91  68.554% *  0.5401% (0.57   0.02   0.02) =   1.210%
          QD1   LEU  104 - HG13  ILE  119  10.31 +/- 0.39   0.020% *  0.9539% (1.00   0.02   0.02) =   0.001%
          QD1   LEU   73 - HG13  ILE  119  14.08 +/- 0.60   0.003% *  0.5401% (0.57   0.02   0.02) =   0.000%
          QG2   ILE   89 - HG13  ILE  119  13.29 +/- 0.42   0.004% *  0.1472% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG13  ILE  119  18.39 +/- 0.85   0.001% *  0.8806% (0.92   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG13  ILE  119  19.57 +/- 0.57   0.000% *  0.6927% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.93 A violated in 2 structures by 0.10 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   8.78 +/- 0.73 100.000% *100.0000% (0.69   0.02   0.02) = 100.000%  kept
    Distance limit 3.63 A violated in 20 structures by 5.15 A, eliminated.
    Peak unassigned.
 
    Peak 3317 (7.19, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.946, support = 1.71, residual support = 13.6:
          QD    PHE   59 - HG13  ILE  119   3.49 +/- 0.23  99.989% * 96.7231% (0.95   1.71  13.60) = 100.000%  kept
          HE21  GLN   30 - HG13  ILE  119  18.21 +/- 1.14   0.006% *  1.1515% (0.97   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG13  ILE  119  19.33 +/- 0.69   0.004% *  0.9966% (0.84   0.02   0.02) =   0.000%
          HD1   TRP   27 - HG13  ILE  119  22.02 +/- 0.72   0.002% *  1.1287% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.01 A, kept.
 
    Peak 3318 (7.91, 1.12, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 6.99, residual support = 247.7:
          HN    ILE  119 - HG13  ILE  119   3.43 +/- 0.35  99.988% * 99.1835% (0.80   6.99 247.74) = 100.000%  kept
          HN    ILE   89 - HG13  ILE  119  18.92 +/- 0.57   0.004% *  0.3420% (0.97   0.02   0.02) =   0.000%
          HN    CYS   21 - HG13  ILE  119  17.93 +/- 0.57   0.006% *  0.1209% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HG13  ILE  119  21.74 +/- 0.77   0.002% *  0.3536% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.11 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 = 2.0, residual support = 13.6:
          QD    PHE   59 - HG12  ILE  119   2.69 +/- 0.43  99.997% * 98.0826% (0.84   2.00  13.60) = 100.000%  kept
          HE21  GLN   30 - HG12  ILE  119  19.28 +/- 1.08   0.001% *  0.5723% (0.49   0.02   0.02) =   0.000%
          HH2   TRP   49 - HG12  ILE  119  18.48 +/- 0.69   0.001% *  0.3629% (0.31   0.02   0.02) =   0.000%
          HD1   TRP   27 - HG12  ILE  119  22.62 +/- 0.81   0.000% *  0.9821% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3320 (7.91, 2.26, 30.83 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 7.8, residual support = 247.7:
          HN    ILE  119 - HG12  ILE  119   2.37 +/- 0.16  99.999% * 99.2675% (0.80   7.80 247.74) = 100.000%  kept
          HN    ILE   89 - HG12  ILE  119  18.63 +/- 0.67   0.000% *  0.3068% (0.97   0.02   0.02) =   0.000%
          HN    CYS   21 - HG12  ILE  119  18.72 +/- 0.65   0.000% *  0.1085% (0.34   0.02   0.02) =   0.000%
          HN    SER   37 - HG12  ILE  119  22.98 +/- 0.82   0.000% *  0.3172% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.55 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3321 (0.17, 1.02, 16.06 ppm):
    1 chemical-shift based assignment, quality = 0.663, support = 0.02, residual support = 0.02:
          QG2   VAL   70 - QD1   ILE  119   8.45 +/- 0.65 100.000% *100.0000% (0.66   0.02   0.02) = 100.000%  kept
    Distance limit 3.09 A violated in 20 structures by 5.35 A, eliminated.
    Peak unassigned.
 
    Peak 3322 (0.61, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.397, support = 4.84, residual support = 11.9:
          QD2   LEU  115 - QD1   ILE  119   1.82 +/- 0.30  90.002% * 97.0641% (0.40   4.84  11.86) =  99.983%  kept
        T QD1   LEU   63 - QD1   ILE  119   3.09 +/- 0.73   9.982% *  0.1506% (0.15   0.02   0.02) =   0.017%
        T QD1   LEU  104 - QD1   ILE  119   9.97 +/- 0.84   0.011% *  0.6705% (0.66   0.02   0.02) =   0.000%
          QG2   ILE   89 - QD1   ILE  119  11.34 +/- 0.32   0.002% *  0.5526% (0.55   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD1   ILE  119  16.92 +/- 0.84   0.000% *  0.9739% (0.96   0.02   0.02) =   0.000%
        T QD1   LEU   73 - QD1   ILE  119  12.49 +/- 0.40   0.001% *  0.1506% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD1   ILE  119  15.73 +/- 0.53   0.000% *  0.4376% (0.43   0.02   0.02) =   0.000%
    Distance limit 2.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3323 (4.03, 1.02, 16.06 ppm):
    7 chemical-shift based assignments, quality = 0.508, support = 4.0, residual support = 14.9:
        T HA    GLN  116 - QD1   ILE  119   3.29 +/- 0.27  99.821% * 97.3477% (0.51   4.00  14.91) =  99.999%  kept
          HA1   GLY   16 - QD1   ILE  119  12.42 +/- 0.35   0.040% *  0.7417% (0.77   0.02   0.02) =   0.000%
          HA    VAL   70 - QD1   ILE  119  12.11 +/- 0.59   0.051% *  0.4873% (0.51   0.02   0.02) =   0.000%
          HA    VAL   18 - QD1   ILE  119  10.98 +/- 0.23   0.080% *  0.1254% (0.13   0.02   0.02) =   0.000%
          HB2   SER   37 - QD1   ILE  119  18.25 +/- 0.78   0.004% *  0.9242% (0.96   0.02   0.02) =   0.000%
          HA    LYS+  33 - QD1   ILE  119  20.44 +/- 0.64   0.002% *  0.2310% (0.24   0.02   0.02) =   0.000%
          HA    GLU-  29 - QD1   ILE  119  21.82 +/- 0.48   0.001% *  0.1429% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 2 structures by 0.09 A, kept.
 
    Peak 3324 (6.72, 1.02, 16.06 ppm):
    2 chemical-shift based assignments, quality = 0.844, support = 0.02, residual support = 0.02:
        T HZ    PHE   72 - QD1   ILE  119   7.20 +/- 0.63  55.595% * 81.6578% (0.96   0.02   0.02) =  84.788%  kept
        T QD    PHE   72 - QD1   ILE  119   7.47 +/- 0.34  44.405% * 18.3422% (0.21   0.02   0.02) =  15.212%  kept
    Distance limit 3.33 A violated in 20 structures by 3.17 A, eliminated.
    Peak unassigned.
 
    Peak 3325 (7.00, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.505, support = 0.0199, residual support = 0.0199:
          QD    PHE   95 - QD1   ILE  119   5.28 +/- 0.40  71.694% * 23.3518% (0.47   0.02   0.02) =  66.889%  kept
          QE    PHE   72 - QD1   ILE  119   6.21 +/- 0.44  28.030% * 29.0981% (0.59   0.02   0.02) =  32.587%  kept
          HN    ALA   47 - QD1   ILE  119  13.46 +/- 0.31   0.276% * 47.5501% (0.96   0.02   0.02) =   0.524%
    Distance limit 3.38 A violated in 20 structures by 1.60 A, eliminated.
    Peak unassigned.
 
    Peak 3326 (7.23, 1.02, 16.06 ppm):
    3 chemical-shift based assignments, quality = 0.496, support = 0.02, residual support = 12.7:
          HN    PHE   59 - QD1   ILE  119   4.21 +/- 0.77  85.312% * 15.6192% (0.33   0.02  13.60) =  68.837%  kept
          HN    HIS  122 - QD1   ILE  119   6.12 +/- 0.68  14.660% * 41.0656% (0.87   0.02  10.82) =  31.101%  kept
          HH2   TRP   87 - QD1   ILE  119  15.85 +/- 0.94   0.028% * 43.3152% (0.91   0.02   0.02) =   0.062%
    Distance limit 3.52 A violated in 16 structures by 0.42 A, eliminated.
    Peak unassigned.
 
    Peak 3327 (7.92, 1.02, 16.06 ppm):
    5 chemical-shift based assignments, quality = 0.946, support = 6.93, residual support = 247.7:
          HN    ILE  119 - QD1   ILE  119   3.53 +/- 0.46  99.962% * 99.2776% (0.95   6.93 247.74) = 100.000%  kept
          HN    CYS   21 - QD1   ILE  119  15.22 +/- 0.26   0.018% *  0.2441% (0.81   0.02   0.02) =   0.000%
          HN    ILE   89 - QD1   ILE  119  16.34 +/- 0.56   0.011% *  0.2441% (0.81   0.02   0.02) =   0.000%
          HN    SER   37 - QD1   ILE  119  19.44 +/- 0.71   0.004% *  0.1891% (0.62   0.02   0.02) =   0.000%
          HN    LYS+  33 - QD1   ILE  119  19.53 +/- 0.58   0.004% *  0.0451% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.67 A violated in 0 structures by 0.03 A, kept.
 
    Peak 3328 (0.88, 3.95, 55.35 ppm):
    7 chemical-shift based assignments, quality = 0.448, support = 5.28, residual support = 26.6:
        T QD1   LEU  123 - HA    ALA  120   2.79 +/- 0.56  99.807% * 97.0341% (0.45   5.28  26.62) =  99.999%  kept
          HB3   LEU   63 - HA    ALA  120   9.84 +/- 0.64   0.086% *  0.8037% (0.98   0.02   0.02) =   0.001%
          QG1   VAL   70 - HA    ALA  120  10.21 +/- 0.58   0.067% *  0.5632% (0.69   0.02   0.02) =   0.000%
          HB3   LEU  104 - HA    ALA  120  11.80 +/- 0.49   0.029% *  0.1436% (0.18   0.02   0.02) =   0.000%
          QG1   VAL   18 - HA    ALA  120  15.67 +/- 0.68   0.005% *  0.6565% (0.80   0.02   0.02) =   0.000%
          QG1   VAL  108 - HA    ALA  120  15.95 +/- 0.33   0.004% *  0.4314% (0.53   0.02   0.02) =   0.000%
          QD1   LEU   71 - HA    ALA  120  17.61 +/- 0.71   0.002% *  0.3676% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.40 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 = 0.625, support = 4.0, residual support = 22.7:
          HN    LEU  123 - HA    ALA  120   3.13 +/- 0.15  32.378% * 83.3353% (0.80   4.17  26.62) =  71.970%  kept
      O   HN    ALA  120 - HA    ALA  120   2.76 +/- 0.05  67.019% * 15.6759% (0.18   3.59  12.58) =  28.022%  kept
          HN    ALA  124 - HA    ALA  120   6.07 +/- 0.19   0.603% *  0.4894% (0.98   0.02   0.02) =   0.008%
          HE21  GLN   17 - HA    ALA  120  22.15 +/- 1.45   0.000% *  0.4993% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 6.24, residual support = 306.3:
      O   HN    LYS+ 121 - HA    LYS+ 121   2.79 +/- 0.02  99.996% * 99.2660% (0.45   6.24 306.29) = 100.000%  kept
          HZ2   TRP   49 - HA    LYS+ 121  25.29 +/- 0.82   0.000% *  0.6718% (0.95   0.02   0.02) =   0.000%
          HN    LYS+ 121 - HA    LYS+  65  15.32 +/- 0.44   0.004% *  0.0200% (0.03   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HA    LYS+  65  24.09 +/- 0.42   0.000% *  0.0422% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.16 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 = 0.879, support = 2.38, residual support = 6.31:
          HA    THR  118 - HB2   LYS+ 121   3.03 +/- 0.71  91.919% * 38.3756% (0.87   2.26   6.92) =  87.815%  kept
          HA    ILE  119 - HB2   LYS+ 121   4.91 +/- 0.20   8.072% * 60.6349% (0.97   3.21   1.94) =  12.185%  kept
          HA2   GLY  109 - HB2   LYS+ 121  16.12 +/- 0.66   0.006% *  0.2213% (0.57   0.02   0.02) =   0.000%
          HA    ALA   84 - HB2   LYS+ 121  20.80 +/- 0.41   0.002% *  0.2987% (0.76   0.02   0.02) =   0.000%
          HA    VAL   75 - HB2   LYS+ 121  21.56 +/- 0.34   0.001% *  0.1087% (0.28   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB2   LYS+ 121  27.09 +/- 0.52   0.000% *  0.3608% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 0.733, support = 2.17, residual support = 6.43:
        T HA    THR  118 - HB3   LYS+ 121   2.94 +/- 0.65  94.694% * 33.6301% (0.72   2.02   6.92) =  90.188%  kept
          HA    ILE  119 - HB3   LYS+ 121   5.04 +/- 0.25   5.298% * 65.3989% (0.81   3.53   1.94) =   9.812%  kept
          HA2   GLY  109 - HB3   LYS+ 121  16.08 +/- 0.54   0.005% *  0.2172% (0.47   0.02   0.02) =   0.000%
          HA    ALA   84 - HB3   LYS+ 121  20.90 +/- 0.41   0.001% *  0.2931% (0.64   0.02   0.02) =   0.000%
          HA    VAL   75 - HB3   LYS+ 121  21.73 +/- 0.30   0.001% *  0.1066% (0.23   0.02   0.02) =   0.000%
          HB2   TRP   49 - HB3   LYS+ 121  27.16 +/- 0.44   0.000% *  0.3541% (0.77   0.02   0.02) =   0.000%
    Distance limit 3.67 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 = 6.32, residual support = 306.3:
      O   HN    LYS+ 121 - HB3   LYS+ 121   2.55 +/- 0.56 100.000% * 99.8677% (0.75   6.32 306.29) = 100.000%  kept
          HZ2   TRP   49 - HB3   LYS+ 121  23.04 +/- 0.86   0.000% *  0.1323% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 6.47, residual support = 50.0:
          HN    HIS  122 - HB3   LYS+ 121   3.35 +/- 0.18  99.967% * 99.5583% (0.75   6.47  50.01) = 100.000%  kept
          HN    PHE   59 - HB3   LYS+ 121  13.44 +/- 0.60   0.026% *  0.1171% (0.28   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   LYS+ 121  16.85 +/- 0.73   0.006% *  0.3246% (0.79   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 7.26, residual support = 50.0:
          HN    HIS  122 - HB2   LYS+ 121   3.14 +/- 0.33  99.694% * 99.2231% (0.41   7.26  50.01) =  99.999%  kept
          QD    PHE   59 - HB2   LYS+ 121   8.68 +/- 0.41   0.301% *  0.2267% (0.34   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB2   LYS+ 121  16.72 +/- 0.67   0.005% *  0.3235% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   LYS+ 121  23.39 +/- 0.56   0.001% *  0.2267% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.72 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3337 (7.50, 1.66, 32.89 ppm):
    2 chemical-shift based assignments, quality = 0.923, support = 6.73, residual support = 306.3:
      O   HN    LYS+ 121 - HB2   LYS+ 121   2.58 +/- 0.52 100.000% * 99.7217% (0.92   6.73 306.29) = 100.000%  kept
          HZ2   TRP   49 - HB2   LYS+ 121  23.02 +/- 0.92   0.000% *  0.2783% (0.87   0.02   0.02) =   0.000%
    Distance limit 3.28 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 = 0.431, support = 0.841, residual support = 2.77:
          QD2   LEU   67 - HB2   HIS  122   4.48 +/- 2.74  60.673% * 26.0568% (0.41   0.69   0.87) =  80.202%  kept
          QG2   ILE  119 - HB2   HIS  122   5.33 +/- 0.43   5.212% * 72.4949% (0.53   1.50  10.82) =  19.168%  kept
          QD1   LEU   40 - HB2   HIS  122   4.45 +/- 0.73  34.028% *  0.3636% (0.20   0.02   0.02) =   0.628%
          QD2   LEU   71 - HB2   HIS  122  11.49 +/- 0.71   0.055% *  0.4581% (0.25   0.02   0.02) =   0.001%
          QD1   ILE  103 - HB2   HIS  122  12.97 +/- 1.03   0.032% *  0.6267% (0.34   0.02   0.02) =   0.001%
    Distance limit 3.54 A violated in 7 structures by 0.58 A, kept.
 
    Peak 3341 (0.61, 3.45, 31.73 ppm):
    7 chemical-shift based assignments, quality = 0.538, support = 0.0199, residual support = 0.0199:
          QD1   LEU  104 - HB2   HIS  122   6.33 +/- 0.72  36.765% * 20.0916% (0.69   0.02   0.02) =  69.624%  kept
          QD1   LEU   63 - HB2   HIS  122   5.77 +/- 0.47  58.133% *  4.5130% (0.15   0.02   0.02) =  24.729%  kept
          QD2   LEU  115 - HB2   HIS  122   8.87 +/- 0.63   4.590% * 12.0248% (0.41   0.02   0.02) =   5.202%  kept
          QG2   ILE   89 - HB2   HIS  122  16.12 +/- 0.49   0.113% * 16.5597% (0.57   0.02   0.02) =   0.177%
          QD1   LEU   73 - HB2   HIS  122  13.49 +/- 0.52   0.334% *  4.5130% (0.15   0.02   0.02) =   0.142%
          QG1   VAL   83 - HB2   HIS  122  20.26 +/- 0.88   0.030% * 29.1845% (1.00   0.02   0.02) =   0.081%
          QD2   LEU   80 - HB2   HIS  122  19.66 +/- 0.86   0.036% * 13.1134% (0.45   0.02   0.02) =   0.044%
    Distance limit 4.10 A violated in 20 structures by 1.10 A, eliminated.
    Peak unassigned.
 
    Peak 3342 (6.83, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 1.0, support = 3.37, residual support = 67.4:
      O   HD2   HIS  122 - HB2   HIS  122   3.93 +/- 0.03  99.838% * 98.9523% (1.00   3.37  67.44) =  99.999%  kept
          HE22  GLN  116 - HB2   HIS  122  12.04 +/- 0.62   0.128% *  0.5859% (1.00   0.02   0.02) =   0.001%
          QD    PHE   45 - HB2   HIS  122  15.52 +/- 0.53   0.027% *  0.2204% (0.38   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB2   HIS  122  19.40 +/- 0.76   0.007% *  0.2414% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3343 (7.21, 3.45, 31.73 ppm):
    4 chemical-shift based assignments, quality = 0.411, support = 5.15, residual support = 67.4:
      O   HN    HIS  122 - HB2   HIS  122   3.60 +/- 0.04  99.604% * 98.9081% (0.41   5.15  67.44) =  99.999%  kept
          QD    PHE   59 - HB2   HIS  122   9.17 +/- 0.42   0.383% *  0.3186% (0.34   0.02   0.02) =   0.001%
          HH2   TRP   87 - HB2   HIS  122  16.54 +/- 0.91   0.011% *  0.4546% (0.49   0.02   0.02) =   0.000%
          HD1   TRP   27 - HB2   HIS  122  22.03 +/- 0.76   0.002% *  0.3186% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.80 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 = 3.74, residual support = 67.4:
      O   HD2   HIS  122 - HB3   HIS  122   2.86 +/- 0.06  99.951% * 99.0546% (1.00   3.74  67.44) = 100.000%  kept
          HE22  GLN  116 - HB3   HIS  122  10.68 +/- 0.98   0.043% *  0.5287% (1.00   0.02   0.02) =   0.000%
          QD    PHE   45 - HB3   HIS  122  15.10 +/- 0.57   0.005% *  0.1989% (0.38   0.02   0.02) =   0.000%
          HE22  GLN   17 - HB3   HIS  122  19.72 +/- 0.87   0.001% *  0.2178% (0.41   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 5.89, residual support = 67.4:
      O   HN    HIS  122 - HB3   HIS  122   2.60 +/- 0.12  99.986% * 99.5151% (0.90   5.89  67.44) = 100.000%  kept
          HN    PHE   59 - HB3   HIS  122  11.78 +/- 0.77   0.012% *  0.1285% (0.34   0.02   0.02) =   0.000%
          HH2   TRP   87 - HB3   HIS  122  16.77 +/- 1.09   0.002% *  0.3564% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 0.492, support = 1.08, residual support = 7.95:
          QG2   ILE  119 - HB3   HIS  122   4.19 +/- 0.97  45.028% * 66.2382% (0.53   1.21  10.82) =  71.181%  kept
          QD2   LEU   67 - HB3   HIS  122   5.36 +/- 2.50  37.369% * 32.1194% (0.41   0.75   0.87) =  28.645%  kept
        T QD1   LEU   40 - HB3   HIS  122   5.22 +/- 0.89  17.505% *  0.4123% (0.20   0.02   0.02) =   0.172%
          QD1   ILE  103 - HB3   HIS  122  12.89 +/- 1.31   0.049% *  0.7107% (0.34   0.02   0.02) =   0.001%
          QD2   LEU   71 - HB3   HIS  122  12.18 +/- 0.68   0.050% *  0.5195% (0.25   0.02   0.02) =   0.001%
    Distance limit 3.61 A violated in 2 structures by 0.19 A, kept.
 
    Peak 3347 (3.95, 1.85, 26.16 ppm):
    10 chemical-shift based assignments, quality = 0.681, support = 3.15, residual support = 26.6:
          HA    ALA  120 - HG    LEU  123   2.23 +/- 0.60  99.618% * 96.2088% (0.68   3.15  26.62) =  99.998%  kept
          HA    LYS+ 121 - HG    LEU  123   6.46 +/- 0.45   0.314% *  0.4238% (0.47   0.02   2.42) =   0.001%
          HA    LYS+  65 - HG    LEU  123  12.57 +/- 0.73   0.020% *  0.5154% (0.57   0.02   0.02) =   0.000%
          QB    SER  117 - HG    LEU  123   8.87 +/- 0.56   0.045% *  0.2105% (0.23   0.02   0.02) =   0.000%
          HA2   GLY   16 - HG    LEU  123  17.07 +/- 0.62   0.002% *  0.5534% (0.62   0.02   0.02) =   0.000%
          HB    THR   94 - HG    LEU  123  19.56 +/- 0.62   0.001% *  0.4715% (0.52   0.02   0.02) =   0.000%
          HA2   GLY   51 - HG    LEU  123  24.33 +/- 0.53   0.000% *  0.3742% (0.42   0.02   0.02) =   0.000%
          QB    SER   48 - HG    LEU  123  26.31 +/- 0.50   0.000% *  0.5352% (0.60   0.02   0.02) =   0.000%
          QB    SER   85 - HG    LEU  123  27.05 +/- 0.64   0.000% *  0.5534% (0.62   0.02   0.02) =   0.000%
        T HD2   PRO   52 - HG    LEU  123  22.90 +/- 0.54   0.000% *  0.1539% (0.17   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3348 (7.48, 1.85, 26.16 ppm):
    3 chemical-shift based assignments, quality = 0.361, support = 5.52, residual support = 193.9:
          HN    LEU  123 - HG    LEU  123   3.53 +/- 0.18  99.996% * 99.5304% (0.36   5.52 193.86) = 100.000%  kept
          HE21  GLN   17 - HG    LEU  123  20.74 +/- 1.40   0.003% *  0.1357% (0.14   0.02   0.02) =   0.000%
          HZ2   TRP   49 - HG    LEU  123  24.82 +/- 0.79   0.001% *  0.3339% (0.33   0.02   0.02) =   0.000%
    Distance limit 3.77 A violated in 1 structures by 0.03 A, kept.
 
    Peak 3349 (3.95, 1.63, 43.16 ppm):
    10 chemical-shift based assignments, quality = 0.991, support = 3.15, residual support = 26.6:
          HA    ALA  120 - HB3   LEU  123   3.35 +/- 0.49  97.541% * 96.2088% (0.99   3.15  26.62) =  99.989%  kept
          HA    LYS+ 121 - HB3   LEU  123   6.41 +/- 0.36   2.268% *  0.4238% (0.69   0.02   2.42) =   0.010%
          QB    SER  117 - HB3   LEU  123   9.98 +/- 0.52   0.155% *  0.2105% (0.34   0.02   0.02) =   0.000%
          HA    LYS+  65 - HB3   LEU  123  13.62 +/- 0.77   0.026% *  0.5154% (0.84   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB3   LEU  123  17.72 +/- 1.12   0.006% *  0.5534% (0.90   0.02   0.02) =   0.000%
          HB    THR   94 - HB3   LEU  123  21.34 +/- 1.00   0.002% *  0.4715% (0.76   0.02   0.02) =   0.000%
          QB    SER   48 - HB3   LEU  123  28.15 +/- 0.90   0.000% *  0.5352% (0.87   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB3   LEU  123  26.55 +/- 0.93   0.000% *  0.3742% (0.61   0.02   0.02) =   0.000%
          QB    SER   85 - HB3   LEU  123  28.45 +/- 0.89   0.000% *  0.5534% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB3   LEU  123  25.10 +/- 0.98   0.001% *  0.1539% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.788, support = 5.0, residual support = 110.8:
      O   HN    LEU  123 - HB3   LEU  123   3.34 +/- 0.56  34.780% * 68.3101% (0.98   5.51 193.86) =  53.614%  kept
          HN    ALA  124 - HB3   LEU  123   3.15 +/- 0.52  65.220% * 31.5162% (0.57   4.40  14.75) =  46.386%  kept
          HE21  GLN   17 - HB3   LEU  123  21.88 +/- 1.55   0.000% *  0.1736% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.19 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 = 3.15, residual support = 26.6:
          HA    ALA  120 - HB2   LEU  123   2.34 +/- 0.67  99.059% * 96.2088% (0.99   3.15  26.62) =  99.996%  kept
        T HA    LYS+ 121 - HB2   LEU  123   5.29 +/- 0.89   0.854% *  0.4238% (0.69   0.02   2.42) =   0.004%
        T HA    LYS+  65 - HB2   LEU  123  13.90 +/- 1.01   0.024% *  0.5154% (0.84   0.02   0.02) =   0.000%
          QB    SER  117 - HB2   LEU  123   8.97 +/- 0.64   0.056% *  0.2105% (0.34   0.02   0.02) =   0.000%
          HA2   GLY   16 - HB2   LEU  123  18.02 +/- 1.30   0.005% *  0.5534% (0.90   0.02   0.02) =   0.000%
          HB    THR   94 - HB2   LEU  123  20.41 +/- 0.46   0.001% *  0.4715% (0.76   0.02   0.02) =   0.000%
          HA2   GLY   51 - HB2   LEU  123  26.00 +/- 0.49   0.000% *  0.3742% (0.61   0.02   0.02) =   0.000%
          QB    SER   48 - HB2   LEU  123  27.60 +/- 0.54   0.000% *  0.5352% (0.87   0.02   0.02) =   0.000%
          QB    SER   85 - HB2   LEU  123  27.62 +/- 0.70   0.000% *  0.5534% (0.90   0.02   0.02) =   0.000%
          HD2   PRO   52 - HB2   LEU  123  24.42 +/- 0.53   0.000% *  0.1539% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.28 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 = 0.961, support = 5.79, residual support = 185.3:
      O   HN    LEU  123 - HB2   LEU  123   2.49 +/- 0.35  90.075% * 68.7242% (0.98   5.85 193.86) =  95.249%  kept
          HN    ALA  124 - HB2   LEU  123   3.98 +/- 0.26   9.925% * 31.1111% (0.57   4.58  14.75) =   4.751%  kept
          HE21  GLN   17 - HB2   LEU  123  22.01 +/- 1.60   0.000% *  0.1647% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.23 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 = 5.28, residual support = 26.6:
        T HA    ALA  120 - QD1   LEU  123   2.79 +/- 0.56  96.653% * 96.2347% (0.57   5.28  26.62) =  99.995%  kept
          HA    LYS+ 121 - QD1   LEU  123   5.18 +/- 0.30   3.195% *  0.1274% (0.20   0.02   2.42) =   0.004%
          HA    LYS+  65 - QD1   LEU  123   9.46 +/- 1.06   0.122% *  0.6091% (0.95   0.02   0.02) =   0.001%
          HA2   GLY   16 - QD1   LEU  123  12.97 +/- 1.09   0.019% *  0.5775% (0.90   0.02   0.02) =   0.000%
          HB    THR   94 - QD1   LEU  123  15.73 +/- 0.65   0.005% *  0.1606% (0.25   0.02   0.02) =   0.000%
          HD2   PRO   52 - QD1   LEU  123  18.89 +/- 0.59   0.002% *  0.4921% (0.76   0.02   0.02) =   0.000%
          QB    SER   85 - QD1   LEU  123  21.86 +/- 0.64   0.001% *  0.5775% (0.90   0.02   0.02) =   0.000%
          HA    GLN   32 - QD1   LEU  123  21.23 +/- 1.08   0.001% *  0.3646% (0.57   0.02   0.02) =   0.000%
          HA    ALA   88 - QD1   LEU  123  21.22 +/- 0.69   0.001% *  0.3388% (0.53   0.02   0.02) =   0.000%
          QB    SER   48 - QD1   LEU  123  21.46 +/- 0.70   0.001% *  0.2196% (0.34   0.02   0.02) =   0.000%
        T HA    SER   48 - QD1   LEU  123  22.37 +/- 0.84   0.001% *  0.1987% (0.31   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD1   LEU  123  20.19 +/- 0.65   0.001% *  0.0994% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.43 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3354 (7.46, 1.35, 20.20 ppm):
    3 chemical-shift based assignments, quality = 0.579, support = 1.92, residual support = 9.65:
      O   HN    ALA  124 - QB    ALA  124   2.23 +/- 0.33  98.711% * 28.6088% (0.57   1.89   9.48) =  96.861%  kept
          HN    LEU  123 - QB    ALA  124   5.50 +/- 0.44   1.288% * 71.0245% (0.98   2.71  14.75) =   3.139%  kept
          HE21  GLN   17 - QB    ALA  124  19.91 +/- 1.11   0.000% *  0.3668% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3355 (7.45, 4.11, 54.16 ppm):
    8 chemical-shift based assignments, quality = 0.98, support = 1.89, residual support = 9.48:
      O   HN    ALA  124 - HA    ALA  124   2.66 +/- 0.23  98.437% * 97.5620% (0.98   1.89   9.48) =  99.987%  kept
          HN    LEU  123 - HA    ALA  124   5.57 +/- 0.36   1.515% *  0.8421% (0.80   0.02  14.75) =   0.013%
          HN    ALA  120 - HA    ALA  124   9.91 +/- 0.30   0.043% *  0.1842% (0.18   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA   34  15.58 +/- 1.84   0.003% *  0.1218% (0.12   0.02   0.02) =   0.000%
          HE21  GLN   17 - HA    ALA  124  23.73 +/- 1.26   0.000% *  1.0517% (1.00   0.02   0.02) =   0.000%
          HN    LEU  123 - HA    ALA   34  19.41 +/- 0.74   0.001% *  0.0975% (0.09   0.02   0.02) =   0.000%
          HN    ALA  124 - HA    ALA   34  20.72 +/- 0.97   0.001% *  0.1194% (0.11   0.02   0.02) =   0.000%
          HN    ALA  120 - HA    ALA   34  21.85 +/- 0.44   0.000% *  0.0213% (0.02   0.02   0.02) =   0.000%
    Distance limit 3.89 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 = 0.941, support = 4.81, residual support = 53.5:
      O   HN    ALA  124 - HA    LEU  123   2.30 +/- 0.03  79.573% * 47.9348% (0.98   4.49  14.75) =  78.366%  kept
      O   HN    LEU  123 - HA    LEU  123   2.88 +/- 0.06  20.324% * 51.8095% (0.80   5.95 193.86) =  21.634%  kept
          HN    ALA  120 - HA    LEU  123   6.97 +/- 0.19   0.103% *  0.0381% (0.18   0.02  26.62) =   0.000%
          HE21  GLN   17 - HA    LEU  123  20.40 +/- 1.25   0.000% *  0.2176% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.19 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3357 (9.01, 4.38, 55.67 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HN    VAL   41 - HA    LEU  123  15.04 +/- 0.80 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 3.30 A violated in 20 structures by 11.74 A, eliminated.
    Peak unassigned.
 
    Peak 3358 (8.63, 4.60, 54.68 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 5.98, residual support = 22.7:
      O   HN    ILE  103 - HA    LYS+ 102   2.26 +/- 0.11  99.999% * 99.1191% (0.69   5.98  22.69) = 100.000%  kept
          HN    GLN   90 - HA    LYS+ 102  18.66 +/- 0.40   0.000% *  0.4187% (0.87   0.02   0.02) =   0.000%
          HN    SER   82 - HA    LYS+ 102  21.38 +/- 0.34   0.000% *  0.3315% (0.69   0.02   0.02) =   0.000%
          HN    GLY  109 - HA    LYS+ 102  18.74 +/- 0.48   0.000% *  0.0653% (0.14   0.02   0.02) =   0.000%
          HN    GLY   16 - HA    LYS+ 102  21.26 +/- 1.31   0.000% *  0.0653% (0.14   0.02   0.02) =   0.000%
    Distance limit 2.78 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 = 14.1:
      O   HN    PHE   95 - HA    THR   94   2.22 +/- 0.04 100.000% *100.0000% (0.73   3.16  14.14) = 100.000%  kept
    Distance limit 2.47 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 = 6.73, residual support = 79.5:
      O   HN    LEU   80 - HB2   LEU   80   3.61 +/- 0.14  99.922% * 99.3522% (1.00   6.73  79.55) = 100.000%  kept
          HN    ALA   34 - HB2   LEU   80  15.51 +/- 0.75   0.018% *  0.2856% (0.97   0.02   0.02) =   0.000%
          HN    GLN   32 - HB2   LEU   80  12.97 +/- 0.57   0.052% *  0.0823% (0.28   0.02   0.02) =   0.000%
          HN    CYS   53 - HB2   LEU   80  17.81 +/- 0.74   0.008% *  0.2799% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.06 A, kept.
 
    Peak 3361 (8.08, 1.34, 40.36 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 6.67, residual support = 79.5:
      O   HN    LEU   80 - HB3   LEU   80   3.14 +/- 0.34  99.967% * 99.3467% (1.00   6.67  79.55) = 100.000%  kept
          HN    ALA   34 - HB3   LEU   80  15.80 +/- 0.47   0.008% *  0.2880% (0.97   0.02   0.02) =   0.000%
          HN    CYS   53 - HB3   LEU   80  16.42 +/- 1.15   0.007% *  0.2823% (0.95   0.02   0.02) =   0.000%
          HN    GLN   32 - HB3   LEU   80  13.59 +/- 0.35   0.018% *  0.0830% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.33 A violated in 0 structures by 0.07 A, kept.
 
    Peak 3362 (4.81, 1.34, 40.36 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 4.84, residual support = 79.5:
      O   HA    LEU   80 - HB3   LEU   80   2.89 +/- 0.26  96.173% * 98.7329% (0.98   4.84  79.55) =  99.985%  kept
          HA    THR   23 - HB3   LEU   80   5.35 +/- 0.89   3.230% *  0.3730% (0.90   0.02  10.99) =   0.013%
          HB    THR   23 - HB3   LEU   80   7.51 +/- 1.10   0.364% *  0.3730% (0.90   0.02  10.99) =   0.001%
          HA    ASP-  78 - HB3   LEU   80   8.14 +/- 0.35   0.232% *  0.2522% (0.61   0.02   0.71) =   0.001%
          HA    ASP- 105 - HB3   LEU   80  20.75 +/- 1.22   0.001% *  0.2690% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 0.507, support = 3.77, residual support = 79.5:
      O   QD2   LEU   80 - HB3   LEU   80   2.56 +/- 0.41  67.598% * 72.8114% (0.57   3.57  79.55) =  86.219%  kept
      O   QD1   LEU   80 - HB3   LEU   80   2.97 +/- 0.37  32.341% * 24.3240% (0.14   4.99  79.55) =  13.780%  kept
        T QD1   LEU   73 - HB3   LEU   80   8.75 +/- 0.60   0.039% *  0.6645% (0.92   0.02   0.02) =   0.000%
          QG2   VAL   41 - HB3   LEU   80  11.03 +/- 0.81   0.010% *  0.1795% (0.25   0.02   0.02) =   0.000%
          QD2   LEU   98 - HB3   LEU   80  11.17 +/- 1.02   0.010% *  0.0974% (0.14   0.02   0.02) =   0.000%
        T QD1   LEU   63 - HB3   LEU   80  15.57 +/- 1.12   0.001% *  0.6645% (0.92   0.02   0.02) =   0.000%
        T QD2   LEU   63 - HB3   LEU   80  17.57 +/- 1.12   0.001% *  0.5764% (0.80   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LEU   80  18.95 +/- 1.12   0.000% *  0.4366% (0.61   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HB3   LEU   80  18.49 +/- 1.09   0.000% *  0.2456% (0.34   0.02   0.02) =   0.000%
    Distance limit 2.97 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 = 0.624, support = 4.19, residual support = 66.3:
      O   HA    LEU   80 - HG    LEU   80   3.68 +/- 0.20  55.973% * 73.2048% (0.63   4.78  79.55) =  80.702%  kept
          HA    THR   23 - HG    LEU   80   3.94 +/- 0.60  40.367% * 24.2496% (0.58   1.73  10.99) =  19.280%  kept
          HB    THR   23 - HG    LEU   80   6.15 +/- 0.78   2.948% *  0.2801% (0.58   0.02  10.99) =   0.016%
          HA    ASP-  78 - HG    LEU   80   8.75 +/- 0.85   0.367% *  0.1895% (0.39   0.02   0.71) =   0.001%
          HA    ASP- 105 - HG    LEU   40   9.85 +/- 0.63   0.175% *  0.1520% (0.31   0.02   0.02) =   0.001%
          HA    THR   23 - HG    LEU   73  12.76 +/- 0.25   0.034% *  0.1112% (0.23   0.02   0.02) =   0.000%
          HA    THR   23 - HG12  ILE   19  13.05 +/- 0.22   0.030% *  0.0953% (0.20   0.02   0.02) =   0.000%
          HB    THR   23 - HG12  ILE   19  13.26 +/- 0.23   0.028% *  0.0953% (0.20   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   73  13.62 +/- 0.27   0.023% *  0.1112% (0.23   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   73  14.13 +/- 0.80   0.021% *  0.1215% (0.25   0.02   0.02) =   0.000%
          HA    LEU   80 - HG12  ILE   19  16.31 +/- 0.57   0.008% *  0.1042% (0.22   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   73  15.50 +/- 0.55   0.011% *  0.0802% (0.17   0.02   0.02) =   0.000%
          HA    LEU   80 - HG    LEU   40  21.35 +/- 1.16   0.002% *  0.2304% (0.48   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   73  17.70 +/- 0.25   0.005% *  0.0752% (0.16   0.02   0.02) =   0.000%
          HA    THR   23 - HG    LEU   40  21.14 +/- 1.09   0.002% *  0.2108% (0.44   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG    LEU   80  21.52 +/- 0.80   0.002% *  0.2021% (0.42   0.02   0.02) =   0.000%
          HB    THR   23 - HG    LEU   40  22.10 +/- 1.06   0.001% *  0.2108% (0.44   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG12  ILE   19  19.68 +/- 0.35   0.003% *  0.0645% (0.13   0.02   0.02) =   0.000%
          HA    ASP- 105 - HG12  ILE   19  21.17 +/- 0.37   0.002% *  0.0688% (0.14   0.02   0.02) =   0.000%
          HA    ASP-  78 - HG    LEU   40  24.17 +/- 1.13   0.001% *  0.1426% (0.30   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 0.21, support = 5.37, residual support = 151.7:
          HN    LEU   73 - HG    LEU   73   2.86 +/- 0.17  75.018% * 53.6576% (0.20   5.62 164.19) =  92.325%  kept
          HN    VAL   42 - HG    LEU   40   4.84 +/- 1.29   7.755% * 42.9507% (0.37   2.37   1.46) =   7.640%  kept
          HN    VAL   42 - HG    LEU   73   4.48 +/- 0.31   5.339% *  0.1908% (0.20   0.02   2.83) =   0.023%
          HN    ILE   19 - HG12  ILE   19   4.09 +/- 0.12   9.255% *  0.0330% (0.03   0.02 164.67) =   0.007%
          HN    ILE   19 - HG    LEU   73   5.47 +/- 0.39   2.034% *  0.0385% (0.04   0.02   5.03) =   0.002%
          HN    LEU   73 - HG12  ILE   19   7.10 +/- 0.17   0.339% *  0.1636% (0.17   0.02   5.03) =   0.001%
          HN    LEU   73 - HG    LEU   40   8.83 +/- 1.26   0.117% *  0.3618% (0.37   0.02   0.02) =   0.001%
          HN    VAL   42 - HG12  ILE   19   9.32 +/- 0.33   0.066% *  0.1636% (0.17   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   40  11.11 +/- 0.46   0.023% *  0.3954% (0.41   0.02   0.02) =   0.000%
          HN    LEU   73 - HG    LEU   80  11.64 +/- 0.95   0.019% *  0.4808% (0.49   0.02   0.02) =   0.000%
          HN    VAL   42 - HG    LEU   80  14.76 +/- 0.93   0.004% *  0.4808% (0.49   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   40  12.10 +/- 1.29   0.016% *  0.0730% (0.08   0.02   0.02) =   0.000%
          HN    ILE   19 - HG    LEU   80  12.65 +/- 0.88   0.011% *  0.0971% (0.10   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   73  15.51 +/- 0.55   0.003% *  0.2086% (0.21   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG    LEU   80  20.55 +/- 0.83   0.001% *  0.5255% (0.54   0.02   0.02) =   0.000%
          HN    LYS+ 106 - HG12  ILE   19  21.14 +/- 0.30   0.000% *  0.1788% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.76, support = 5.7, residual support = 166.3:
      O T HA    LYS+  99 - HB3   LYS+  99   2.64 +/- 0.25  85.073% * 81.9798% (0.76   5.85 171.63) =  96.631%  kept
          HA    LEU   40 - HB3   LYS+  99   3.79 +/- 0.80  14.883% * 16.3346% (0.65   1.38  12.71) =   3.368%  kept
          HA    ASN   35 - HB3   LYS+  99   9.97 +/- 0.70   0.036% *  0.3290% (0.90   0.02   0.02) =   0.000%
          HA    LEU  123 - HB3   LYS+  99  13.68 +/- 1.07   0.005% *  0.3596% (0.98   0.02   0.02) =   0.000%
          HA    GLU-  15 - HB3   LYS+  99  17.19 +/- 1.50   0.001% *  0.1645% (0.45   0.02   0.02) =   0.000%
        T HA    ILE   56 - HB3   LYS+  99  20.20 +/- 0.69   0.000% *  0.3387% (0.92   0.02   0.02) =   0.000%
          HA    PRO   58 - HB3   LYS+  99  20.68 +/- 0.93   0.000% *  0.1786% (0.49   0.02   0.02) =   0.000%
        T HA    ASP- 113 - HB3   LYS+  99  21.45 +/- 0.69   0.000% *  0.1508% (0.41   0.02   0.02) =   0.000%
          HA    SER   13 - HB3   LYS+  99  22.84 +/- 2.06   0.000% *  0.1645% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.51 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 = 3.76, residual support = 171.6:
      O   HN    LYS+  99 - HB3   LYS+  99   3.14 +/- 0.21  98.819% * 97.2951% (0.31   3.76 171.63) =  99.994%  kept
          HE1   HIS  122 - HB3   LYS+  99   8.28 +/- 2.96   1.129% *  0.4178% (0.25   0.02   0.02) =   0.005%
          HN    ASN   35 - HB3   LYS+  99  11.52 +/- 0.68   0.050% *  1.3996% (0.84   0.02   0.02) =   0.001%
          HN    GLU-  14 - HB3   LYS+  99  21.38 +/- 1.83   0.001% *  0.2585% (0.15   0.02   0.02) =   0.000%
          HN    ALA   12 - HB3   LYS+  99  25.43 +/- 2.88   0.000% *  0.6289% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.01 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 = 1.81, residual support = 18.8:
        T QD1   LEU  104 - HB3   LYS+  99   2.41 +/- 0.34  99.992% * 94.6041% (0.41   1.81  18.76) = 100.000%  kept
        T QG2   ILE   89 - HB3   LYS+  99  15.06 +/- 0.36   0.002% *  2.1227% (0.84   0.02   0.02) =   0.000%
          QG1   VAL   83 - HB3   LYS+  99  16.25 +/- 0.65   0.001% *  2.2045% (0.87   0.02   0.02) =   0.000%
          QD2   LEU  115 - HB3   LYS+  99  14.46 +/- 0.94   0.003% *  0.5029% (0.20   0.02   0.02) =   0.000%
          QD2   LEU   80 - HB3   LYS+  99  17.12 +/- 0.89   0.001% *  0.5658% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.50 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 = 1.85, residual support = 12.7:
        T QD2   LEU   40 - HB3   LYS+  99   2.50 +/- 0.71  99.367% * 95.9078% (0.76   1.85  12.71) =  99.994%  kept
          QG2   ILE  103 - HB3   LYS+  99   7.06 +/- 0.28   0.534% *  0.8233% (0.61   0.02   0.02) =   0.005%
          QD1   LEU   67 - HB3   LYS+  99   9.15 +/- 1.63   0.087% *  0.9857% (0.73   0.02   0.02) =   0.001%
          QD1   ILE  119 - HB3   LYS+  99  13.33 +/- 1.19   0.010% *  0.3385% (0.25   0.02   0.02) =   0.000%
          HB    VAL   75 - HB3   LYS+  99  16.98 +/- 0.76   0.002% *  1.2840% (0.95   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HB3   LYS+  99  19.16 +/- 1.34   0.001% *  0.6607% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 5.56, residual support = 171.6:
      O   HG2   LYS+  99 - HB3   LYS+  99   2.60 +/- 0.12  99.949% * 98.0821% (0.97   5.56 171.63) = 100.000%  kept
          HG2   LYS+  38 - HB3   LYS+  99  10.53 +/- 0.66   0.025% *  0.3647% (1.00   0.02   0.02) =   0.000%
          QB    ALA   88 - HB3   LYS+  99  14.47 +/- 0.78   0.004% *  0.3171% (0.87   0.02   0.02) =   0.000%
          HB2   LEU   31 - HB3   LYS+  99  14.15 +/- 0.85   0.004% *  0.2511% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   63 - HB3   LYS+  99  13.49 +/- 1.03   0.006% *  0.1503% (0.41   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HB3   LYS+  99  14.47 +/- 1.04   0.004% *  0.1128% (0.31   0.02   0.02) =   0.000%
          QB    ALA  124 - HB3   LYS+  99  13.37 +/- 0.90   0.006% *  0.0723% (0.20   0.02   0.02) =   0.000%
          QG2   THR   77 - HB3   LYS+  99  17.44 +/- 0.57   0.001% *  0.1779% (0.49   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HB3   LYS+  99  21.63 +/- 0.55   0.000% *  0.2793% (0.76   0.02   0.02) =   0.000%
          HB3   LEU   80 - HB3   LYS+  99  20.70 +/- 0.96   0.000% *  0.1923% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.26 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3378 (1.77, 4.38, 58.15 ppm):
    4 chemical-shift based assignments, quality = 0.991, support = 7.0, residual support = 171.6:
      O T HB2   LYS+  99 - HA    LYS+  99   2.88 +/- 0.22  99.959% * 99.2867% (0.99   7.00 171.63) = 100.000%  kept
          HB    VAL   43 - HA    LYS+  99  10.82 +/- 0.18   0.039% *  0.2707% (0.95   0.02   0.02) =   0.000%
          HB3   GLN   17 - HA    LYS+  99  18.75 +/- 0.72   0.001% *  0.1620% (0.57   0.02   0.02) =   0.000%
          QD    LYS+  81 - HA    LYS+  99  23.28 +/- 0.49   0.000% *  0.2805% (0.98   0.02   0.02) =   0.000%
    Distance limit 3.10 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 = 0.52, support = 5.19, residual support = 181.3:
      O T QD    LYS+  99 - HG3   LYS+  99   2.31 +/- 0.14  60.159% * 20.7808% (0.34   5.27 171.63) =  49.970%  kept
      O   HB3   LYS+  99 - HG3   LYS+  99   3.03 +/- 0.02  11.841% * 58.1995% (0.99   5.08 171.63) =  27.545%  kept
      O T HB    ILE   89 - HG12  ILE   89   2.63 +/- 0.10  27.915% * 20.1511% (0.34   5.15 214.55) =  22.485%  kept
        T QD    LYS+ 106 - HG12  ILE   89   9.00 +/- 1.63   0.048% *  0.0289% (0.13   0.02   0.02) =   0.000%
          QG1   ILE   56 - HG12  ILE   89  11.89 +/- 0.21   0.003% *  0.0886% (0.38   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  99  11.95 +/- 0.53   0.003% *  0.0713% (0.31   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG3   LYS+  38  10.49 +/- 0.91   0.008% *  0.0239% (0.10   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG3   LYS+  38   9.49 +/- 0.83   0.015% *  0.0082% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG12  ILE   89  11.17 +/- 0.61   0.005% *  0.0164% (0.07   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  99  18.32 +/- 0.54   0.000% *  0.2185% (0.95   0.02   0.02) =   0.000%
          HB3   LYS+  99 - HG12  ILE   89  16.47 +/- 0.35   0.000% *  0.0929% (0.40   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  99  14.83 +/- 0.87   0.001% *  0.0405% (0.18   0.02   0.02) =   0.000%
        T HB    ILE   89 - HG3   LYS+  99  20.37 +/- 0.66   0.000% *  0.1929% (0.84   0.02   0.02) =   0.000%
        T QD    LYS+  99 - HG12  ILE   89  16.64 +/- 0.31   0.000% *  0.0320% (0.14   0.02   0.02) =   0.000%
        T QD    LYS+ 106 - HG3   LYS+  38  18.00 +/- 1.17   0.000% *  0.0074% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   73 - HG3   LYS+  38  16.49 +/- 0.56   0.000% *  0.0042% (0.02   0.02   0.02) =   0.000%
        T QG1   ILE   56 - HG3   LYS+  38  23.91 +/- 0.63   0.000% *  0.0228% (0.10   0.02   0.02) =   0.000%
          HB    ILE   89 - HG3   LYS+  38  23.87 +/- 0.91   0.000% *  0.0201% (0.09   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3380 (1.77, 1.24, 26.01 ppm):
    12 chemical-shift based assignments, quality = 0.991, support = 6.44, residual support = 171.6:
      O T HB2   LYS+  99 - HG3   LYS+  99   2.43 +/- 0.11  99.714% * 98.6808% (0.99   6.44 171.63) = 100.000%  kept
        T HB    VAL   43 - HG12  ILE   89   6.72 +/- 0.38   0.245% *  0.1186% (0.38   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG12  ILE   89  10.58 +/- 0.76   0.017% *  0.1229% (0.40   0.02   0.02) =   0.000%
        T HB    VAL   43 - HG3   LYS+  99  13.38 +/- 0.65   0.004% *  0.2924% (0.95   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG3   LYS+  38  10.62 +/- 0.87   0.018% *  0.0320% (0.10   0.02   0.02) =   0.000%
        T HB2   LYS+  99 - HG12  ILE   89  16.64 +/- 0.45   0.001% *  0.1242% (0.40   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  99  19.90 +/- 1.19   0.000% *  0.1750% (0.57   0.02   0.02) =   0.000%
          HB    VAL   43 - HG3   LYS+  38  17.32 +/- 0.74   0.001% *  0.0305% (0.10   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  99  25.74 +/- 0.71   0.000% *  0.3029% (0.98   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG12  ILE   89  22.15 +/- 0.49   0.000% *  0.0710% (0.23   0.02   0.02) =   0.000%
          HB3   GLN   17 - HG3   LYS+  38  21.24 +/- 1.01   0.000% *  0.0183% (0.06   0.02   0.02) =   0.000%
          QD    LYS+  81 - HG3   LYS+  38  27.34 +/- 0.79   0.000% *  0.0316% (0.10   0.02   0.02) =   0.000%
    Distance limit 2.84 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3381 (4.01, 2.50, 34.75 ppm):
    9 chemical-shift based assignments, quality = 1.0, support = 5.23, residual support = 112.2:
    * O   HA    GLN  116 - HG3   GLN  116   3.56 +/- 0.16  99.990% * 98.1900% (1.00   5.23 112.17) = 100.000%  kept
          HA    VAL   70 - HG3   GLN  116  21.16 +/- 0.47   0.002% *  0.3754% (1.00   0.02   0.02) =   0.000%
          HA    VAL   18 - HG3   GLN  116  19.83 +/- 0.41   0.003% *  0.2579% (0.69   0.02   0.02) =   0.000%
          HA1   GLY   16 - HG3   GLN  116  21.76 +/- 0.51   0.002% *  0.0743% (0.20   0.02   0.02) =   0.000%
          HA    SER   48 - HG3   GLN  116  23.84 +/- 0.50   0.001% *  0.0936% (0.25   0.02   0.02) =   0.000%
          HA    LYS+  33 - HG3   GLN  116  31.22 +/- 0.42   0.000% *  0.3257% (0.87   0.02   0.02) =   0.000%
          HB2   SER   37 - HG3   GLN  116  28.54 +/- 0.68   0.000% *  0.1827% (0.49   0.02   0.02) =   0.000%
          HA    GLU-  29 - HG3   GLN  116  32.60 +/- 0.36   0.000% *  0.2726% (0.73   0.02   0.02) =   0.000%
          HB2   SER   82 - HG3   GLN  116  31.85 +/- 0.58   0.000% *  0.2277% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 1 structures by 0.02 A, kept.
 
    Peak 3382 (2.37, 2.50, 34.75 ppm):
    6 chemical-shift based assignments, quality = 0.98, support = 5.44, residual support = 112.2:
      O   HB2   GLN  116 - HG3   GLN  116   2.30 +/- 0.04  99.986% * 98.8184% (0.98   5.44 112.17) = 100.000%  kept
          HB2   PRO   58 - HG3   GLN  116  10.34 +/- 0.43   0.013% *  0.1661% (0.45   0.02   0.02) =   0.000%
          HB3   PHE   97 - HG3   GLN  116  16.48 +/- 0.38   0.001% *  0.3322% (0.90   0.02   0.02) =   0.000%
          HB2   GLU- 100 - HG3   GLN  116  26.64 +/- 0.83   0.000% *  0.3705% (1.00   0.02   0.02) =   0.000%
          QG    GLU-  79 - HG3   GLN  116  25.76 +/- 0.82   0.000% *  0.2097% (0.57   0.02   0.02) =   0.000%
          QG    GLN   32 - HG3   GLN  116  29.76 +/- 0.50   0.000% *  0.1030% (0.28   0.02   0.02) =   0.000%
    Distance limit 2.53 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3383 (0.60, 2.50, 34.75 ppm):
    7 chemical-shift based assignments, quality = 0.965, support = 6.8, residual support = 94.8:
          QD2   LEU  115 - HG3   GLN  116   3.79 +/- 0.16  98.816% * 98.7666% (0.97   6.80  94.76) =  99.998%  kept
          QD1   LEU   63 - HG3   GLN  116   9.16 +/- 0.74   0.556% *  0.2069% (0.69   0.02   0.02) =   0.001%
          QD2   LEU   63 - HG3   GLN  116   9.10 +/- 0.74   0.601% *  0.0465% (0.15   0.02   0.02) =   0.000%
          QD1   LEU  104 - HG3   GLN  116  15.82 +/- 0.41   0.019% *  0.2952% (0.98   0.02   0.02) =   0.000%
          QD1   LEU   73 - HG3   GLN  116  20.26 +/- 0.38   0.004% *  0.2069% (0.69   0.02   0.02) =   0.000%
          QD2   LEU   80 - HG3   GLN  116  23.16 +/- 0.57   0.002% *  0.2952% (0.98   0.02   0.02) =   0.000%
          QG1   VAL   83 - HG3   GLN  116  24.33 +/- 0.82   0.001% *  0.1827% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.84 A violated in 0 structures by 0.02 A, kept.
 
    Peak 3384 (2.55, 2.50, 34.75 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 5.48, residual support = 112.2:
      O   HG2   GLN  116 - HG3   GLN  116   1.75 +/- 0.00  99.999% * 99.5763% (0.98   5.48 112.17) = 100.000%  kept
          HB3   PHE   95 - HG3   GLN  116  12.64 +/- 0.34   0.001% *  0.3504% (0.95   0.02   0.02) =   0.000%
        T HG2   GLU-  25 - HG3   GLN  116  35.40 +/- 0.42   0.000% *  0.0733% (0.20   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3385 (2.50, 2.50, 34.75 ppm):
    1 diagonal assignment:
    *     HG3   GLN  116 - HG3   GLN  116  (1.00)  kept
 
    Peak 3386 (7.40, 2.50, 34.75 ppm):
    5 chemical-shift based assignments, quality = 0.687, support = 4.08, residual support = 112.2:
      O   HE21  GLN  116 - HG3   GLN  116   3.32 +/- 0.28  98.754% * 98.4588% (0.69   4.08 112.17) =  99.997%  kept
          HN    ALA  120 - HG3   GLN  116   7.06 +/- 0.29   1.165% *  0.2170% (0.31   0.02   0.02) =   0.003%
          HN    ALA   57 - HG3   GLN  116  11.19 +/- 0.53   0.079% *  0.5373% (0.76   0.02   0.02) =   0.000%
          HE21  GLN   90 - HG3   GLN  116  24.25 +/- 2.94   0.001% *  0.6785% (0.97   0.02   0.02) =   0.000%
          HD21  ASN   35 - HG3   GLN  116  31.82 +/- 0.82   0.000% *  0.1085% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.96 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 = 7.45, residual support = 112.2:
          HN    GLN  116 - HG3   GLN  116   3.49 +/- 0.16  96.026% * 98.9713% (0.69   7.45 112.17) =  99.991%  kept
          HN    THR  118 - HG3   GLN  116   6.85 +/- 0.15   1.731% *  0.3571% (0.92   0.02   0.02) =   0.007%
          HN    GLU- 114 - HG3   GLN  116   6.62 +/- 0.34   2.155% *  0.0965% (0.25   0.02   0.27) =   0.002%
          HN    PHE   60 - HG3   GLN  116  11.25 +/- 0.35   0.088% *  0.3868% (1.00   0.02   0.02) =   0.000%
          HN    GLU-  15 - HG3   GLN  116  26.59 +/- 0.75   0.001% *  0.1883% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.81 A violated in 0 structures by 0.00 A, kept.
 
    Peak 3388 (1.33, 1.24, 26.01 ppm):
    39 chemical-shift based assignments, quality = 0.918, support = 6.61, residual support = 175.0:
      O T HG2   LYS+  99 - HG3   LYS+  99   1.75 +/- 0.00  49.592% * 88.5745% (1.00   6.62 171.63) =  91.065%  kept
      O T HG2   LYS+  38 - HG3   LYS+  38   1.75 +/- 0.00  49.592% *  8.6896% (0.10   6.44 209.68) =   8.934%  kept
          QB    ALA   88 - HG12  ILE   89   3.87 +/- 0.18   0.452% *  0.0747% (0.28   0.02   7.03) =   0.001%
          QB    ALA   84 - HG12  ILE   89   4.17 +/- 0.31   0.303% *  0.0190% (0.07   0.02  11.73) =   0.000%
          QG2   THR   77 - HG12  ILE   89   5.87 +/- 0.37   0.038% *  0.0335% (0.13   0.02   0.02) =   0.000%
        T HG2   LYS+  38 - HG3   LYS+  99   8.88 +/- 0.75   0.003% *  0.2587% (0.97   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG12  ILE   89   8.94 +/- 1.32   0.004% *  0.0789% (0.29   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  99   9.06 +/- 0.76   0.004% *  0.0668% (0.25   0.02  15.78) =   0.000%
        T HG2   LYS+  99 - HG3   LYS+  38   8.29 +/- 0.86   0.006% *  0.0279% (0.10   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG12  ILE   89  10.67 +/- 0.39   0.001% *  0.0529% (0.20   0.02   0.02) =   0.000%
          HG    LEU   98 - HG12  ILE   89   9.78 +/- 0.82   0.002% *  0.0271% (0.10   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  99  14.48 +/- 1.09   0.000% *  0.2325% (0.87   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  99  13.58 +/- 1.08   0.000% *  0.0914% (0.34   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  99  15.08 +/- 0.71   0.000% *  0.1626% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG12  ILE   89  14.18 +/- 0.33   0.000% *  0.0943% (0.35   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG12  ILE   89  10.69 +/- 0.20   0.001% *  0.0168% (0.06   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  99  16.18 +/- 0.66   0.000% *  0.1841% (0.69   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG12  ILE   89  14.64 +/- 0.54   0.000% *  0.1003% (0.37   0.02   0.02) =   0.000%
          HB2   LEU   31 - HG3   LYS+  38  12.24 +/- 0.56   0.000% *  0.0243% (0.09   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  99  16.33 +/- 1.04   0.000% *  0.1305% (0.49   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG12  ILE   89  16.17 +/- 0.36   0.000% *  0.0659% (0.25   0.02   0.02) =   0.000%
          HG2   LYS+  99 - HG12  ILE   89  18.27 +/- 0.35   0.000% *  0.1085% (0.40   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  99  22.15 +/- 1.29   0.000% *  0.1946% (0.73   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  99  19.11 +/- 0.57   0.000% *  0.0827% (0.31   0.02   0.02) =   0.000%
          HG    LEU   98 - HG3   LYS+  38  13.29 +/- 1.33   0.000% *  0.0070% (0.03   0.02   0.02) =   0.000%
        T HG2   LYS+ 111 - HG3   LYS+  99  23.97 +/- 0.53   0.000% *  0.2474% (0.92   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  99  18.37 +/- 0.62   0.000% *  0.0469% (0.18   0.02   0.02) =   0.000%
          HG2   LYS+  38 - HG12  ILE   89  21.88 +/- 0.70   0.000% *  0.1049% (0.39   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  99  21.47 +/- 0.62   0.000% *  0.0414% (0.15   0.02   0.02) =   0.000%
          QB    ALA   88 - HG3   LYS+  38  19.82 +/- 1.19   0.000% *  0.0192% (0.07   0.02   0.02) =   0.000%
          QB    ALA  124 - HG12  ILE   89  23.20 +/- 0.55   0.000% *  0.0371% (0.14   0.02   0.02) =   0.000%
          QB    ALA  124 - HG3   LYS+  38  19.21 +/- 1.36   0.000% *  0.0095% (0.04   0.02   0.02) =   0.000%
          HB2   LEU   63 - HG3   LYS+  38  20.77 +/- 0.51   0.000% *  0.0170% (0.06   0.02   0.02) =   0.000%
          HB3   ASP-  44 - HG3   LYS+  38  20.95 +/- 0.65   0.000% *  0.0136% (0.05   0.02   0.02) =   0.000%
          HB3   LEU   80 - HG3   LYS+  38  23.08 +/- 0.85   0.000% *  0.0203% (0.08   0.02   0.02) =   0.000%
          QG2   THR   77 - HG3   LYS+  38  22.13 +/- 0.67   0.000% *  0.0086% (0.03   0.02   0.02) =   0.000%
          QB    ALA   84 - HG3   LYS+  38  20.50 +/- 0.78   0.000% *  0.0049% (0.02   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - HG3   LYS+  38  31.13 +/- 0.86   0.000% *  0.0258% (0.10   0.02   0.02) =   0.000%
          HB3   PRO   93 - HG3   LYS+  38  27.02 +/- 0.68   0.000% *  0.0043% (0.02   0.02   0.02) =   0.000%
    Distance limit 2.40 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :   2699
      with diagonal assignment               :    465
      without assignment possibility         :      4
      with one assignment possibility        :    112
      with multiple assignment possibilities :   2118
      with given assignment possibilities    :      0
      with unique volume contribution        :   1845
      with multiple volume contributions     :    385
      eliminated by violation filter         :    148
 
    Peaks:
      selected                               :   2699
      without assignment                     :    171
      with assignment                        :   2528
      with unique assignment                 :   2082
      with multiple assignment               :    446
      with reference assignment              :   1605
      with identical reference assignment    :   1291
      with compatible reference assignment   :    293
      with incompatible reference assignment :      8
      with additional reference assignment   :     13
      with additional assignment             :    936
 
    Atoms with eliminated volume contribution > 2.5:
    HA    HIS   22       2.9
    HN    GLN   30       2.5
    QB    LYS+  33       2.6
    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       5.9
    QD    PHE   60       2.7
    HN    LYS+  65       6.0
    HA    LEU   73       3.0
    QB    ALA   84       2.8
    HA    LYS+ 106       3.0
    QB    LYS+ 106       2.9
    QG1   VAL  107       2.9
    QG2   VAL  107       4.5
    QG2   VAL  108       3.7
    HA    THR  118       4.9
    HA    ILE  119       3.0
    QD1   ILE  119       5.0
 
    Peak 2 (6.75, 6.75, 114.38 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   27 - HZ2   TRP   27  (1.00)  kept
 
    Peak 3 (7.49, 7.49, 115.54 ppm):
    1 diagonal assignment:
    *     HZ2   TRP   49 - HZ2   TRP   49  (1.00)  kept
 
    Peak 4 (7.61, 7.61, 114.70 ppm):
    2 diagonal assignments:
    *     HZ2   TRP   87 - HZ2   TRP   87  (1.00)  kept
          HN    ILE   56 - HN    ILE   56  (0.01)  kept
 
    Peak 5 (7.18, 7.18, 125.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   49 - HH2   TRP   49  (1.00)  kept
 
    Peak 6 (7.23, 7.23, 124.80 ppm):
    1 diagonal assignment:
    *     HH2   TRP   87 - HH2   TRP   87  (1.00)  kept
 
    Peak 7 (7.71, 7.71, 120.66 ppm):
    1 diagonal assignment:
    *     HE3   TRP   87 - HE3   TRP   87  (1.00)  kept
 
    Peak 8 (6.38, 6.38, 129.17 ppm):
    1 diagonal assignment:
    *     HZ    PHE   45 - HZ    PHE   45  (1.00)  kept
 
    Peak 9 (6.69, 6.69, 132.41 ppm):
    1 diagonal assignment:
    *     QD    PHE   72 - QD    PHE   72  (1.00)  kept
 
    Peak 10 (6.68, 6.68, 130.18 ppm):
    1 diagonal assignment:
    *     QE    PHE   45 - QE    PHE   45  (1.00)  kept
 
    Peak 11 (6.71, 6.71, 127.90 ppm):
    1 diagonal assignment:
    *     HZ    PHE   72 - HZ    PHE   72  (1.00)  kept
 
    Peak 12 (6.88, 6.88, 128.47 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 13 (7.26, 7.26, 128.86 ppm):
    1 diagonal assignment:
    *     QE    PHE   59 - QE    PHE   59  (1.00)  kept
 
    Peak 14 (7.75, 7.75, 128.42 ppm):
    1 diagonal assignment:
    *     HD1   TRP   87 - HD1   TRP   87  (1.00)  kept
 
    Peak 15 (7.19, 7.19, 127.61 ppm):
    1 diagonal assignment:
    *     HD1   TRP   27 - HD1   TRP   27  (1.00)  kept
 
    Peak 16 (7.35, 7.35, 128.88 ppm):
    1 diagonal assignment:
    *     HD1   TRP   49 - HD1   TRP   49  (1.00)  kept
 
    Peak 17 (7.63, 7.63, 131.92 ppm):
    1 diagonal assignment:
    *     QE    PHE   60 - QE    PHE   60  (1.00)  kept
 
    Peak 18 (7.02, 7.02, 132.19 ppm):
    1 diagonal assignment:
    *     QD    PHE   95 - QD    PHE   95  (1.00)  kept
 
    Peak 19 (6.86, 6.86, 131.77 ppm):
    1 diagonal assignment:
    *     QD    PHE   45 - QD    PHE   45  (1.00)  kept
 
    Peak 20 (6.85, 6.85, 130.68 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 21 (6.99, 6.99, 130.46 ppm):
    1 diagonal assignment:
    *     QE    PHE   72 - QE    PHE   72  (1.00)  kept
 
    Peak 22 (8.33, 8.33, 138.33 ppm):
    1 diagonal assignment:
    *     HE1   HIS  122 - HE1   HIS  122  (1.00)  kept
 
    Peak 23 (8.58, 8.58, 136.90 ppm):
    1 diagonal assignment:
    *     HE1   HIS   22 - HE1   HIS   22  (1.00)  kept
 
    Peak 24 (6.83, 6.83, 120.22 ppm):
    1 diagonal assignment:
    *     HD2   HIS  122 - HD2   HIS  122  (1.00)  kept
 
    Peak 25 (7.11, 7.11, 121.95 ppm):
    1 diagonal assignment:
    *     HE3   TRP   49 - HE3   TRP   49  (1.00)  kept
 
    Peak 26 (7.36, 7.36, 120.68 ppm):
    1 diagonal assignment:
    *     HD2   HIS   22 - HD2   HIS   22  (1.00)  kept
 
    Peak 27 (7.12, 7.12, 119.95 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 28 (7.17, 7.17, 120.01 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 29 (7.31, 7.32, 120.14 ppm):
    1 diagonal assignment:
    *     HE3   TRP   27 - HE3   TRP   27  (0.76)  kept
 
    Peak 30 (7.13, 7.13, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   97 - QD    PHE   97  (1.00)  kept
 
    Peak 31 (7.32, 7.32, 132.31 ppm):
    1 diagonal assignment:
    *     QD    PHE   55 - QD    PHE   55  (1.00)  kept
 
    Peak 32 (7.29, 7.29, 132.36 ppm):
    1 diagonal assignment:
    *     QD    PHE   60 - QD    PHE   60  (1.00)  kept
 
    Peak 33 (7.33, 7.33, 130.29 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 34 (7.39, 7.39, 131.00 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 35 (7.38, 7.41, 131.81 ppm):
    0 chemical-shift based assignments, quality = 0.0, support = 0.0, residual support = 0.0:
    Peak unassigned.
 
    Peak 36 (6.31, 6.31, 122.21 ppm):
    1 diagonal assignment:
    *     HH2   TRP   27 - HH2   TRP   27  (1.00)  kept
 
    Peak 37 (3.92, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.867, support = 3.92, residual support = 69.2:
        T HA    PHE   60 - QD    PHE   60   2.03 +/- 0.30  99.962% * 98.1679% (0.87   3.92  69.18) = 100.000%  kept
          HB    THR   94 - QD    PHE   60   9.46 +/- 0.48   0.026% *  0.2813% (0.49   0.02   0.02) =   0.000%
        T QB    SER  117 - QD    PHE   60  12.53 +/- 0.44   0.003% *  0.5183% (0.90   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    PHE   60  12.74 +/- 0.68   0.002% *  0.3739% (0.65   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   60  13.82 +/- 0.57   0.002% *  0.3272% (0.57   0.02   0.02) =   0.000%
        T QB    SER   48 - QD    PHE   60  12.73 +/- 0.49   0.002% *  0.2169% (0.38   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   60  12.67 +/- 0.45   0.003% *  0.1144% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 0 structures by 0.00 A, kept.
 
    Peak 38 (7.19, 7.19, 131.79 ppm):
    1 diagonal assignment:
    *     QD    PHE   59 - QD    PHE   59  (1.00)  kept
 
    Peak 40 (6.35, 6.35, 121.95 ppm):
    1 diagonal assignment:
    *     HZ3   TRP   27 - HZ3   TRP   27  (1.00)  kept
 
    Peak 43 (7.13, 7.13, 121.44 ppm):
    1 diagonal assignment:
    *     HZ3   TRP   87 - HZ3   TRP   87  (1.00)  kept
 
    Peak 44 (7.70, 7.13, 121.44 ppm):
    6 chemical-shift based assignments, quality = 0.687, support = 1.0, residual support = 65.7:
      O   HE3   TRP   87 - HZ3   TRP   87   2.49 +/- 0.00  99.864% * 92.9101% (0.69   1.00  65.65) =  99.998%  kept
          HN    TRP   87 - HZ3   TRP   87   7.55 +/- 0.07   0.130% *  1.6408% (0.61   0.02  65.65) =   0.002%
          HN    ALA   91 - HZ3   TRP   87  13.38 +/- 0.59   0.004% *  0.8349% (0.31   0.02   0.02) =   0.000%
          HN    GLN   17 - HZ3   TRP   87  18.74 +/- 1.18   0.001% *  2.0674% (0.76   0.02   0.02) =   0.000%
          HD21  ASN   69 - HZ3   TRP   87  18.08 +/- 1.56   0.001% *  1.5315% (0.57   0.02   0.02) =   0.000%
          HN    ALA   61 - HZ3   TRP   87  18.00 +/- 0.71   0.001% *  1.0153% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 45 (7.33, 7.33, 131.79 ppm):
    1 diagonal assignment:
    *     QE    PHE   95 - QE    PHE   95  (1.00)  kept
 
    Peak 46 (4.73, 8.58, 136.90 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HE1   HIS   22  21.33 +/- 2.27 100.000% *100.0000% (0.98   0.02   0.02) = 100.000%  kept
    Distance limit 4.43 A violated in 20 structures by 16.90 A, eliminated.
    Peak unassigned.
 
    Peak 47 (1.15, 8.58, 136.90 ppm):
    6 chemical-shift based assignments, quality = 0.764, support = 1.05, residual support = 5.15:
          QB    ALA   20 - HE1   HIS   22   3.52 +/- 0.03  99.989% * 93.0689% (0.76   1.05   5.15) = 100.000%  kept
          QG2   VAL  107 - HE1   HIS   22  19.21 +/- 0.68   0.004% *  2.1875% (0.95   0.02   0.02) =   0.000%
          HB3   LEU   31 - HE1   HIS   22  18.33 +/- 0.54   0.005% *  0.5766% (0.25   0.02   0.02) =   0.000%
          HG13  ILE  103 - HE1   HIS   22  23.97 +/- 0.45   0.001% *  1.2166% (0.53   0.02   0.02) =   0.000%
          HG13  ILE  119 - HE1   HIS   22  22.96 +/- 0.72   0.001% *  0.6430% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HE1   HIS   22  30.59 +/- 0.78   0.000% *  2.3073% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 0.27, support = 4.99, residual support = 43.0:
          HN    ASN   28 - HD1   TRP   27   3.03 +/- 0.42  98.367% * 35.3793% (0.25   5.07  44.25) =  97.207%  kept
          HN    GLU-  25 - HD1   TRP   27   6.09 +/- 0.51   1.562% * 63.9852% (0.99   2.30   0.02) =   2.792%  kept
          HN    ASP-  44 - HD1   TRP   27  10.74 +/- 0.58   0.071% *  0.5491% (0.98   0.02   0.02) =   0.001%
          HN    ALA  110 - HD1   TRP   27  21.61 +/- 0.49   0.001% *  0.0864% (0.15   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 96.2:
      O   HE1   TRP   27 - HD1   TRP   27   2.64 +/- 0.00 100.000% *100.0000% (0.92   2.01  96.23) = 100.000%  kept
    Distance limit 3.38 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 = 1.22, residual support = 96.2:
      O   HZ3   TRP   27 - HE3   TRP   27   2.49 +/- 0.00  99.998% * 99.7462% (0.89   1.22  96.23) = 100.000%  kept
          HZ3   TRP   27 - HN    LEU   67  14.81 +/- 0.47   0.002% *  0.2538% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.69 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 = 3.39, residual support = 96.2:
          HA    TRP   27 - HE3   TRP   27   2.75 +/- 0.30  99.986% * 98.2146% (0.96   3.39  96.23) = 100.000%  kept
          HA    ALA   91 - HE3   TRP   27  16.48 +/- 0.92   0.003% *  0.5950% (0.98   0.02   0.02) =   0.000%
          HA    VAL  107 - HE3   TRP   27  17.40 +/- 0.26   0.002% *  0.5541% (0.91   0.02   0.02) =   0.000%
          HA    VAL  107 - HN    LEU   67  17.03 +/- 0.36   0.002% *  0.0862% (0.14   0.02   0.02) =   0.000%
          HA    PRO   52 - HE3   TRP   27  20.42 +/- 0.32   0.001% *  0.2253% (0.37   0.02   0.02) =   0.000%
          HA    ALA  110 - HE3   TRP   27  17.92 +/- 0.46   0.002% *  0.0926% (0.15   0.02   0.02) =   0.000%
          HA    TRP   27 - HN    LEU   67  17.80 +/- 0.32   0.002% *  0.0901% (0.15   0.02   0.02) =   0.000%
          HA    ALA  110 - HN    LEU   67  17.32 +/- 0.43   0.002% *  0.0144% (0.02   0.02   0.02) =   0.000%
          HA    ALA   91 - HN    LEU   67  24.44 +/- 0.41   0.000% *  0.0926% (0.15   0.02   0.02) =   0.000%
          HA    PRO   52 - HN    LEU   67  20.95 +/- 0.38   0.001% *  0.0351% (0.06   0.02   0.02) =   0.000%
    Distance limit 3.80 A violated in 0 structures by 0.00 A, kept.
 
    Peak 52 (3.02, 7.32, 120.14 ppm):
    10 chemical-shift based assignments, quality = 0.174, support = 4.0, residual support = 96.2:
      O   HB3   TRP   27 - HE3   TRP   27   2.67 +/- 0.11  99.950% * 91.0797% (0.17   4.00  96.23) = 100.000%  kept
          QE    LYS+  99 - HE3   TRP   27  14.45 +/- 0.64   0.004% *  2.1714% (0.83   0.02   0.02) =   0.000%
          QE    LYS+  99 - HN    LEU   67  10.68 +/- 0.67   0.027% *  0.3379% (0.13   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HE3   TRP   27  16.66 +/- 0.60   0.002% *  2.5088% (0.96   0.02   0.02) =   0.000%
          QE    LYS+  38 - HE3   TRP   27  16.81 +/- 0.58   0.002% *  2.5766% (0.98   0.02   0.02) =   0.000%
          HB2   PHE   97 - HE3   TRP   27  13.87 +/- 0.33   0.005% *  0.4011% (0.15   0.02   0.02) =   0.000%
          HB2   PHE   97 - HN    LEU   67  13.24 +/- 0.43   0.007% *  0.0624% (0.02   0.02   0.02) =   0.000%
          QE    LYS+  38 - HN    LEU   67  18.75 +/- 0.74   0.001% *  0.4009% (0.15   0.02   0.02) =   0.000%
          QE    LYS+ 102 - HN    LEU   67  20.23 +/- 0.72   0.001% *  0.3904% (0.15   0.02   0.02) =   0.000%
          HB3   TRP   27 - HN    LEU   67  18.84 +/- 0.41   0.001% *  0.0708% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.04 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 = 0.776, support = 1.44, residual support = 9.53:
          QG1   VAL   43 - HE3   TRP   27   4.95 +/- 0.52  25.752% * 71.3806% (0.99   1.50   8.86) =  69.199%  kept
          QD2   LEU   73 - HE3   TRP   27   4.62 +/- 0.35  34.688% * 19.8465% (0.28   1.50  10.76) =  25.916%  kept
          HG    LEU   31 - HE3   TRP   27   4.82 +/- 0.31  26.813% *  4.6380% (0.41   0.24  13.04) =   4.681%  kept
          QD1   ILE   19 - HE3   TRP   27   6.38 +/- 0.25   5.004% *  0.4633% (0.48   0.02   0.02) =   0.087%
          QG1   VAL   41 - HE3   TRP   27   7.62 +/- 0.32   1.665% *  0.9003% (0.94   0.02   0.02) =   0.056%
          QG2   VAL   18 - HN    LEU   67   6.76 +/- 0.61   3.992% *  0.1367% (0.14   0.02   0.02) =   0.021%
          QG2   THR   46 - HE3   TRP   27   8.88 +/- 0.39   0.679% *  0.7950% (0.83   0.02   0.02) =   0.020%
          QG2   VAL   18 - HE3   TRP   27   9.38 +/- 0.44   0.488% *  0.8786% (0.91   0.02   0.02) =   0.016%
          QG1   VAL   41 - HN    LEU   67  11.22 +/- 0.41   0.166% *  0.1401% (0.15   0.02   0.02) =   0.001%
          QG1   VAL   43 - HN    LEU   67  11.75 +/- 0.37   0.124% *  0.1481% (0.15   0.02   0.02) =   0.001%
          QD2   LEU   73 - HN    LEU   67   9.68 +/- 0.31   0.404% *  0.0412% (0.04   0.02   0.02) =   0.001%
          QD2   LEU  104 - HE3   TRP   27  14.49 +/- 0.77   0.037% *  0.3246% (0.34   0.02   0.02) =   0.000%
          QD1   ILE   19 - HN    LEU   67  12.50 +/- 0.43   0.088% *  0.0721% (0.08   0.02   0.02) =   0.000%
          QG2   THR   46 - HN    LEU   67  14.67 +/- 0.53   0.034% *  0.1237% (0.13   0.02   0.02) =   0.000%
          QD2   LEU  104 - HN    LEU   67  13.40 +/- 0.64   0.058% *  0.0505% (0.05   0.02   0.02) =   0.000%
          HG    LEU   31 - HN    LEU   67  18.08 +/- 1.20   0.011% *  0.0609% (0.06   0.02   0.02) =   0.000%
    Distance limit 4.43 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 = 0.392, support = 3.88, residual support = 10.7:
          QD1   LEU   73 - HE3   TRP   27   2.51 +/- 0.32  94.792% * 44.2547% (0.37   3.96  10.76) =  94.922%  kept
          QD2   LEU   80 - HE3   TRP   27   4.95 +/- 0.71   4.195% * 53.4208% (0.76   2.35  10.41) =   5.071%  kept
          QG1   VAL   83 - HE3   TRP   27   6.45 +/- 0.61   0.509% *  0.5344% (0.89   0.02   3.07) =   0.006%
          QD1   LEU   63 - HN    LEU   67   6.55 +/- 0.34   0.371% *  0.0348% (0.06   0.02   0.02) =   0.000%
          QG2   ILE   89 - HE3   TRP   27   9.08 +/- 0.57   0.061% *  0.1657% (0.28   0.02   0.02) =   0.000%
          QD1   LEU   63 - HE3   TRP   27  11.95 +/- 0.51   0.010% *  0.2236% (0.37   0.02   0.02) =   0.000%
          QD1   LEU  104 - HE3   TRP   27  14.11 +/- 0.69   0.004% *  0.5637% (0.94   0.02   0.02) =   0.000%
          QD2   LEU  115 - HN    LEU   67  10.11 +/- 0.52   0.028% *  0.0673% (0.11   0.02   0.02) =   0.000%
          QD1   LEU  104 - HN    LEU   67  11.04 +/- 0.48   0.017% *  0.0877% (0.15   0.02   0.02) =   0.000%
          QD2   LEU  115 - HE3   TRP   27  16.51 +/- 0.51   0.001% *  0.4327% (0.72   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    LEU   67  11.96 +/- 0.28   0.010% *  0.0348% (0.06   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    LEU   67  18.05 +/- 0.70   0.001% *  0.0709% (0.12   0.02   0.02) =   0.000%
          QG1   VAL   83 - HN    LEU   67  19.82 +/- 0.54   0.000% *  0.0832% (0.14   0.02   0.02) =   0.000%
          QG2   ILE   89 - HN    LEU   67  16.55 +/- 0.30   0.001% *  0.0258% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.04 A violated in 0 structures by 0.00 A, kept.
 
    Peak 55 (0.12, 7.32, 120.14 ppm):
    4 chemical-shift based assignments, quality = 0.72, support = 1.2, residual support = 3.92:
          QG2   VAL   75 - HE3   TRP   27   2.53 +/- 0.28  99.568% * 98.2672% (0.72   1.20   3.92) =  99.998%  kept
          QG2   VAL   42 - HE3   TRP   27   9.03 +/- 0.80   0.074% *  1.2787% (0.56   0.02   0.02) =   0.001%
          QG2   VAL   42 - HN    LEU   67   6.63 +/- 0.34   0.355% *  0.1990% (0.09   0.02   0.02) =   0.001%
          QG2   VAL   75 - HN    LEU   67  14.64 +/- 0.28   0.003% *  0.2552% (0.11   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 2.45, residual support = 33.0:
      O T HB2   HIS   22 - HD2   HIS   22   3.76 +/- 0.11  99.994% * 99.3639% (0.92   2.45  33.00) = 100.000%  kept
          HA    LEU   63 - HD2   HIS   22  19.97 +/- 0.73   0.004% *  0.4623% (0.53   0.02   0.02) =   0.000%
          HA    LYS+ 112 - HD2   HIS   22  23.93 +/- 1.63   0.002% *  0.1739% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 3.06, residual support = 33.0:
      O T HB3   HIS   22 - HD2   HIS   22   3.43 +/- 0.47  99.995% * 98.8470% (0.45   3.06  33.00) = 100.000%  kept
          HD3   ARG+  54 - HD2   HIS   22  20.00 +/- 2.17   0.005% *  1.1530% (0.80   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.875, support = 0.0198, residual support = 0.0198:
          QE    LYS+  74 - HD2   HIS   22   8.27 +/- 1.34  67.301% * 29.7119% (0.92   0.02   0.02) =  74.901%  kept
          QB    CYS   50 - HD2   HIS   22  11.24 +/- 1.78  12.431% * 28.8658% (0.90   0.02   0.02) =  13.441%  kept
          HB3   ASP-  78 - HD2   HIS   22  11.14 +/- 1.88  14.309% * 19.5221% (0.61   0.02   0.02) =  10.463%  kept
          HB2   PHE   72 - HD2   HIS   22  12.87 +/- 0.50   5.766% *  4.9662% (0.15   0.02   0.02) =   1.073%
          HB3   ASN   69 - HD2   HIS   22  22.95 +/- 0.54   0.193% * 16.9340% (0.53   0.02   0.02) =   0.122%
    Distance limit 4.47 A violated in 20 structures by 3.31 A, eliminated.
    Peak unassigned.
 
    Peak 59 (1.16, 7.36, 120.68 ppm):
    6 chemical-shift based assignments, quality = 0.278, support = 2.06, residual support = 5.15:
        T QB    ALA   20 - HD2   HIS   22   3.47 +/- 0.35  99.977% * 90.8036% (0.28   2.06   5.15) = 100.000%  kept
          QG2   VAL  107 - HD2   HIS   22  17.77 +/- 1.25   0.006% *  2.7508% (0.87   0.02   0.02) =   0.000%
          QG2   THR   94 - HD2   HIS   22  15.30 +/- 1.32   0.014% *  0.6276% (0.20   0.02   0.02) =   0.000%
          HG13  ILE  103 - HD2   HIS   22  21.10 +/- 1.03   0.002% *  3.0605% (0.97   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - HD2   HIS   22  28.66 +/- 1.16   0.000% *  2.0515% (0.65   0.02   0.02) =   0.000%
          HB3   LYS+ 112 - HD2   HIS   22  25.94 +/- 1.77   0.001% *  0.7060% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.12 A violated in 0 structures by 0.00 A, kept.
 
    Peak 60 (4.74, 7.36, 120.68 ppm):
    1 chemical-shift based assignment, quality = 0.566, support = 0.02, residual support = 0.02:
          HA    PRO   68 - HD2   HIS   22  20.54 +/- 2.10 100.000% *100.0000% (0.57   0.02   0.02) = 100.000%  kept
    Distance limit 4.42 A violated in 20 structures by 16.12 A, eliminated.
    Peak unassigned.
 
    Peak 61 (4.58, 7.36, 120.68 ppm):
    7 chemical-shift based assignments, quality = 0.946, support = 2.83, residual support = 5.41:
          HA    CYS   21 - HD2   HIS   22   3.85 +/- 0.11  99.713% * 97.0727% (0.95   2.83   5.41) =  99.999%  kept
          HA    CYS   50 - HD2   HIS   22  14.25 +/- 2.06   0.056% *  0.6865% (0.95   0.02   0.02) =   0.000%
          HA    ALA   47 - HD2   HIS   22  12.03 +/- 2.10   0.184% *  0.2018% (0.28   0.02   0.02) =   0.000%
          HA    TRP   49 - HD2   HIS   22  15.31 +/- 2.04   0.035% *  0.7257% (1.00   0.02   0.02) =   0.000%
          HA1   GLY  109 - HD2   HIS   22  20.39 +/- 2.03   0.006% *  0.7003% (0.97   0.02   0.02) =   0.000%
          HA    VAL  108 - HD2   HIS   22  20.40 +/- 1.61   0.005% *  0.1436% (0.20   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD2   HIS   22  24.80 +/- 0.65   0.001% *  0.4694% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.21 A violated in 0 structures by 0.00 A, kept.
 
    Peak 62 (4.13, 7.19, 127.61 ppm):
    10 chemical-shift based assignments, quality = 0.998, support = 3.23, residual support = 44.3:
          HA    ASN   28 - HD1   TRP   27   3.61 +/- 0.25  98.253% * 96.9000% (1.00   3.23  44.25) =  99.997%  kept
          HA    THR   26 - HD1   TRP   27   7.40 +/- 0.36   1.441% *  0.1674% (0.28   0.02  19.98) =   0.003%
          HA    ALA   34 - HD1   TRP   27  12.73 +/- 0.38   0.054% *  0.5557% (0.92   0.02   0.02) =   0.000%
          HA    LYS+  81 - HD1   TRP   27  10.50 +/- 0.50   0.191% *  0.1191% (0.20   0.02   0.02) =   0.000%
          HA1   GLY  101 - HD1   TRP   27  14.20 +/- 2.14   0.040% *  0.4601% (0.76   0.02   0.02) =   0.000%
          HA    GLU-  36 - HD1   TRP   27  15.44 +/- 0.38   0.017% *  0.0815% (0.14   0.02   0.02) =   0.000%
          HA    LEU  115 - HD1   TRP   27  22.11 +/- 0.46   0.002% *  0.5967% (0.99   0.02   0.02) =   0.000%
          HA    ARG+  54 - HD1   TRP   27  23.66 +/- 0.90   0.001% *  0.4135% (0.69   0.02   0.02) =   0.000%
          HA    GLU- 114 - HD1   TRP   27  25.38 +/- 0.53   0.001% *  0.3651% (0.61   0.02   0.02) =   0.000%
          HA    ALA  124 - HD1   TRP   27  29.43 +/- 0.93   0.000% *  0.3408% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.10 A violated in 0 structures by 0.00 A, kept.
 
    Peak 63 (3.77, 7.19, 127.61 ppm):
    4 chemical-shift based assignments, quality = 0.998, support = 4.26, residual support = 24.6:
          HA    VAL   24 - HD1   TRP   27   3.30 +/- 0.43  99.984% * 99.4270% (1.00   4.26  24.57) = 100.000%  kept
          HA    LYS+  38 - HD1   TRP   27  15.49 +/- 0.44   0.012% *  0.3211% (0.69   0.02   0.02) =   0.000%
          HA    ALA   61 - HD1   TRP   27  19.63 +/- 0.39   0.003% *  0.0925% (0.20   0.02   0.02) =   0.000%
          HD2   PRO   68 - HD1   TRP   27  22.26 +/- 0.98   0.001% *  0.1594% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 96.2:
      O T HB2   TRP   27 - HD1   TRP   27   2.66 +/- 0.05  99.982% * 98.6712% (0.65   3.66  96.23) = 100.000%  kept
          HA    THR   77 - HD1   TRP   27  11.29 +/- 0.50   0.018% *  0.7891% (0.95   0.02   0.02) =   0.000%
          HD2   PRO   93 - HD1   TRP   27  19.79 +/- 0.56   0.001% *  0.5397% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 96.2:
      O T HB3   TRP   27 - HD1   TRP   27   3.76 +/- 0.06  99.959% * 98.2245% (0.73   4.09  96.23) = 100.000%  kept
          QE    LYS+ 106 - HD1   TRP   27  16.68 +/- 1.42   0.015% *  0.6598% (1.00   0.02   0.02) =   0.000%
          HB2   PHE   97 - HD1   TRP   27  16.44 +/- 0.49   0.015% *  0.5053% (0.76   0.02   0.02) =   0.000%
          HB3   PHE   60 - HD1   TRP   27  17.29 +/- 0.49   0.011% *  0.6104% (0.92   0.02   0.02) =   0.000%
    Distance limit 3.97 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 = 0.751, support = 2.57, residual support = 24.1:
        T QG2   VAL   24 - HD1   TRP   27   2.53 +/- 0.24  92.789% * 80.0745% (0.76   2.61  24.57) =  98.231%  kept
          QG1   VAL   24 - HD1   TRP   27   4.25 +/- 0.69   7.210% * 18.5633% (0.31   1.50  24.57) =   1.769%
        T QG1   VAL  107 - HD1   TRP   27  17.15 +/- 0.40   0.001% *  0.5188% (0.65   0.02   0.02) =   0.000%
          HG    LEU   63 - HD1   TRP   27  20.52 +/- 0.69   0.000% *  0.4864% (0.61   0.02   0.02) =   0.000%
          HG3   LYS+ 112 - HD1   TRP   27  26.89 +/- 0.80   0.000% *  0.1785% (0.22   0.02   0.02) =   0.000%
          HD3   LYS+ 112 - HD1   TRP   27  27.06 +/- 1.18   0.000% *  0.1785% (0.22   0.02   0.02) =   0.000%
    Distance limit 3.94 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 = 0.82, support = 2.89, residual support = 5.16:
          QG1   VAL   83 - HD1   TRP   27   3.29 +/- 0.63  73.414% * 43.9440% (0.80   2.77   3.07) =  71.413%  kept
          QD2   LEU   80 - HD1   TRP   27   4.37 +/- 0.48  23.526% * 54.8691% (0.87   3.20  10.41) =  28.574%  kept
          QD1   LEU   73 - HD1   TRP   27   5.81 +/- 0.19   2.958% *  0.1927% (0.49   0.02  10.76) =   0.013%
          QG2   ILE   89 - HD1   TRP   27  10.38 +/- 0.39   0.087% *  0.0783% (0.20   0.02   0.02) =   0.000%
          QD1   LEU  104 - HD1   TRP   27  16.04 +/- 0.61   0.007% *  0.3924% (0.99   0.02   0.02) =   0.000%
          QD1   LEU   63 - HD1   TRP   27  15.52 +/- 0.50   0.008% *  0.1927% (0.49   0.02   0.02) =   0.000%
          QD2   LEU  115 - HD1   TRP   27  19.97 +/- 0.62   0.002% *  0.3307% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.63 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 = 0.93, support = 0.947, residual support = 5.6:
          QG2   VAL   83 - HD1   TRP   27   3.29 +/- 0.34  81.190% * 39.9839% (1.00   0.75   3.07) =  74.612%  kept
          QD2   LEU   31 - HD1   TRP   27   4.42 +/- 0.46  18.702% * 59.0598% (0.73   1.53  13.04) =  25.386%  kept
          QD1   ILE   89 - HD1   TRP   27  10.00 +/- 0.38   0.109% *  0.9562% (0.90   0.02   0.02) =   0.002%
    Distance limit 4.01 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 = 96.2:
      O T HZ2   TRP   27 - HH2   TRP   27   2.52 +/- 0.00  99.991% * 95.6459% (0.28   1.09  96.23) = 100.000%  kept
          HZ    PHE   72 - HH2   TRP   27  12.15 +/- 0.70   0.009% *  4.3541% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 96.2:
      O   HZ2   TRP   27 - HZ3   TRP   27   4.30 +/- 0.00 100.000% *100.0000% (0.92   1.82  96.23) = 100.000%  kept
    Distance limit 4.47 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 = 1.22, residual support = 96.2:
      O   HE3   TRP   27 - HZ3   TRP   27   2.49 +/- 0.00  99.929% * 95.7545% (1.00   1.22  96.23) =  99.999%  kept
          HN    THR   23 - HZ3   TRP   27   9.14 +/- 0.26   0.042% *  0.9517% (0.61   0.02   2.03) =   0.000%
          QE    PHE   95 - HZ3   TRP   27  10.34 +/- 0.29   0.020% *  1.0151% (0.65   0.02   0.02) =   0.000%
          HN    LYS+  81 - HZ3   TRP   27  12.58 +/- 0.67   0.006% *  0.3493% (0.22   0.02   0.02) =   0.000%
          HN    LEU   67 - HZ3   TRP   27  14.81 +/- 0.47   0.002% *  0.3913% (0.25   0.02   0.02) =   0.000%
          QD    PHE   55 - HZ3   TRP   27  18.98 +/- 0.47   0.001% *  1.5381% (0.98   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 1.29, residual support = 8.86:
        T QG1   VAL   43 - HH2   TRP   27   1.84 +/- 0.08  98.356% * 93.4618% (0.92   1.29   8.86) =  99.984%  kept
          QD2   LEU   73 - HH2   TRP   27   5.22 +/- 1.19   1.240% *  0.7638% (0.49   0.02  10.76) =   0.010%
          HG    LEU   31 - HH2   TRP   27   5.31 +/- 0.50   0.247% *  1.0151% (0.65   0.02  13.04) =   0.003%
          QG1   VAL   41 - HH2   TRP   27   5.63 +/- 0.46   0.141% *  1.5657% (1.00   0.02   0.02) =   0.002%
          QG2   VAL   18 - HH2   TRP   27  10.12 +/- 0.70   0.004% *  1.1395% (0.73   0.02   0.02) =   0.000%
          QG2   THR   46 - HH2   TRP   27  10.23 +/- 0.46   0.004% *  0.9518% (0.61   0.02   0.02) =   0.000%
          QD1   ILE   19 - HH2   TRP   27   9.26 +/- 0.29   0.006% *  0.4363% (0.28   0.02   0.02) =   0.000%
          QD2   LEU  104 - HH2   TRP   27  11.17 +/- 0.78   0.002% *  0.2748% (0.18   0.02   0.02) =   0.000%
          QD1   ILE   56 - HH2   TRP   27  14.44 +/- 0.30   0.000% *  0.3913% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.90 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 = 0.879, support = 2.85, residual support = 9.05:
        T QG1   VAL   43 - HZ3   TRP   27   2.96 +/- 0.57  71.625% * 73.7177% (0.92   2.96   8.86) =  90.012%  kept
          QD2   LEU   73 - HZ3   TRP   27   3.98 +/- 0.94  24.048% * 24.2948% (0.49   1.85  10.76) =   9.960%  kept
          HG    LEU   31 - HZ3   TRP   27   5.38 +/- 0.48   2.625% *  0.3494% (0.65   0.02  13.04) =   0.016%
          QG1   VAL   41 - HZ3   TRP   27   6.35 +/- 0.44   1.012% *  0.5389% (1.00   0.02   0.02) =   0.009%
          QD1   ILE   19 - HZ3   TRP   27   7.40 +/- 0.33   0.402% *  0.1502% (0.28   0.02   0.02) =   0.001%
          QG2   VAL   18 - HZ3   TRP   27   8.66 +/- 0.59   0.145% *  0.3922% (0.73   0.02   0.02) =   0.001%
          QG2   THR   46 - HZ3   TRP   27   8.94 +/- 0.53   0.118% *  0.3276% (0.61   0.02   0.02) =   0.001%
          QD2   LEU  104 - HZ3   TRP   27  12.62 +/- 0.80   0.017% *  0.0946% (0.18   0.02   0.02) =   0.000%
          QD1   ILE   56 - HZ3   TRP   27  14.22 +/- 0.27   0.007% *  0.1347% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.09 A violated in 0 structures by 0.00 A, kept.
 
    Peak 74 (0.58, 6.35, 121.95 ppm):
    9 chemical-shift based assignments, quality = 0.896, support = 1.59, residual support = 10.8:
        T QD1   LEU   73 - HZ3   TRP   27   2.51 +/- 0.45  91.410% * 95.0337% (0.90   1.59  10.76) =  99.962%  kept
          QG2   VAL   41 - HZ3   TRP   27   4.08 +/- 0.52   6.389% *  0.3712% (0.28   0.02   0.02) =   0.027%
          QD2   LEU   80 - HZ3   TRP   27   6.58 +/- 0.79   0.856% *  0.7024% (0.53   0.02  10.41) =   0.007%
          QD2   LEU   98 - HZ3   TRP   27   5.52 +/- 0.75   1.079% *  0.2060% (0.15   0.02   0.02) =   0.003%
          QD1   LEU   80 - HZ3   TRP   27   7.75 +/- 1.25   0.211% *  0.2060% (0.15   0.02  10.41) =   0.001%
        T QD1   LEU   63 - HZ3   TRP   27  10.16 +/- 0.51   0.029% *  1.1974% (0.90   0.02   0.02) =   0.000%
          QD2   LEU   63 - HZ3   TRP   27  11.80 +/- 0.59   0.012% *  1.1152% (0.84   0.02   0.02) =   0.000%
        T QD1   LEU  104 - HZ3   TRP   27  12.19 +/- 0.72   0.011% *  0.4121% (0.31   0.02   0.02) =   0.000%
          QD2   LEU  115 - HZ3   TRP   27  14.82 +/- 0.51   0.003% *  0.7559% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 1.81, residual support = 13.0:
        T QD2   LEU   31 - HZ3   TRP   27   3.26 +/- 0.30  94.207% * 97.3777% (0.76   1.81  13.04) =  99.913%  kept
          QG2   VAL   83 - HZ3   TRP   27   5.78 +/- 0.65   4.946% *  1.4028% (1.00   0.02   3.07) =   0.076%
          QD1   ILE   89 - HZ3   TRP   27   7.56 +/- 0.51   0.847% *  1.2195% (0.87   0.02   0.02) =   0.011%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 76 (0.08, 6.31, 122.21 ppm):
    3 chemical-shift based assignments, quality = 0.763, support = 1.81, residual support = 13.0:
          QD2   LEU   31 - HH2   TRP   27   3.19 +/- 0.29  91.595% * 97.3797% (0.76   1.81  13.04) =  99.871%  kept
          QG2   VAL   83 - HH2   TRP   27   5.29 +/- 0.63   7.040% *  1.4017% (1.00   0.02   3.07) =   0.110%
          QD1   ILE   89 - HH2   TRP   27   6.73 +/- 0.39   1.366% *  1.2186% (0.87   0.02   0.02) =   0.019%
    Distance limit 3.92 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 = 0.996, support = 1.57, residual support = 10.7:
          QD1   LEU   73 - HH2   TRP   27   3.61 +/- 0.42  56.495% * 95.1577% (1.00   1.57  10.76) =  99.848%  kept
          QG2   VAL   41 - HH2   TRP   27   3.87 +/- 0.59  41.118% *  0.1645% (0.14   0.02   0.02) =   0.126%
          QD2   LEU   80 - HH2   TRP   27   7.46 +/- 0.76   1.059% *  0.9286% (0.76   0.02  10.41) =   0.018%
          QG1   VAL   83 - HH2   TRP   27   7.27 +/- 0.71   1.090% *  0.1875% (0.15   0.02   3.07) =   0.004%
          QD1   LEU   63 - HH2   TRP   27  10.31 +/- 0.55   0.106% *  1.2124% (1.00   0.02   0.02) =   0.002%
          QD1   LEU  104 - HH2   TRP   27  11.09 +/- 0.66   0.075% *  0.6393% (0.53   0.02   0.02) =   0.001%
          QD2   LEU   63 - HH2   TRP   27  11.90 +/- 0.64   0.045% *  0.7370% (0.61   0.02   0.02) =   0.001%
          QD2   LEU  115 - HH2   TRP   27  14.91 +/- 0.60   0.011% *  0.9730% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 96.2:
      O T HH2   TRP   27 - HZ2   TRP   27   2.52 +/- 0.00 100.000% *100.0000% (0.99   1.09  96.23) = 100.000%  kept
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 79 (7.62, 6.75, 114.38 ppm):
    5 chemical-shift based assignments, quality = 0.98, support = 0.75, residual support = 6.25:
          HZ2   TRP   87 - HZ2   TRP   27   2.24 +/- 0.36  99.939% * 94.8916% (0.98   0.75   6.25) =  99.999%  kept
          HD21  ASN   28 - HZ2   TRP   27   9.10 +/- 0.98   0.042% *  2.2393% (0.87   0.02  44.25) =   0.001%
          QE    PHE   60 - HZ2   TRP   27  10.11 +/- 0.73   0.018% *  1.7733% (0.69   0.02   0.02) =   0.000%
          HN    LEU   63 - HZ2   TRP   27  17.45 +/- 0.49   0.001% *  0.6437% (0.25   0.02   0.02) =   0.000%
          HN    ILE   56 - HZ2   TRP   27  19.87 +/- 0.55   0.000% *  0.4521% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.31 A violated in 0 structures by 0.00 A, kept.
 
    Peak 80 (10.20, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.897, support = 1.2, residual support = 96.2:
      O   HE1   TRP   27 - HZ2   TRP   27   2.85 +/- 0.00 100.000% *100.0000% (0.90   1.20  96.23) = 100.000%  kept
    Distance limit 4.24 A violated in 0 structures by 0.00 A, kept.
 
    Peak 81 (10.57, 6.75, 114.38 ppm):
    1 chemical-shift based assignment, quality = 0.923, support = 2.0, residual support = 6.25:
          HE1   TRP   87 - HZ2   TRP   27   2.85 +/- 0.69 100.000% *100.0000% (0.92   2.00   6.25) = 100.000%  kept
    Distance limit 4.17 A violated in 0 structures by 0.00 A, kept.
 
    Peak 82 (0.05, 6.75, 114.38 ppm):
    2 chemical-shift based assignments, quality = 0.619, support = 3.14, residual support = 11.7:
        T QD2   LEU   31 - HZ2   TRP   27   3.17 +/- 0.20  56.126% * 62.2331% (0.49   4.00  13.04) =  67.824%  kept
        T QG2   VAL   43 - HZ2   TRP   27   3.38 +/- 0.56  43.874% * 37.7669% (0.90   1.32   8.86) =  32.176%  kept
    Distance limit 3.75 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 = 0.897, support = 2.73, residual support = 12.8:
        T QD1   ILE   89 - QD    PHE   45   2.28 +/- 0.18  99.013% * 98.6115% (0.90   2.73  12.76) =  99.992%  kept
          QG2   VAL   83 - QD    PHE   45   5.14 +/- 0.39   0.922% *  0.8044% (1.00   0.02   1.10) =   0.008%
          QD2   LEU   31 - QD    PHE   45   7.86 +/- 0.21   0.065% *  0.5841% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.62 A violated in 0 structures by 0.00 A, kept.
 
    Peak 84 (0.09, 6.68, 130.18 ppm):
    3 chemical-shift based assignments, quality = 0.969, support = 2.7, residual support = 9.38:
          QD1   ILE   89 - QE    PHE   45   2.83 +/- 0.20  60.933% * 60.7518% (0.97   3.02  12.76) =  71.073%  kept
          QG2   VAL   83 - QE    PHE   45   3.11 +/- 0.44  38.634% * 38.9952% (0.98   1.91   1.10) =  28.925%  kept
          QD2   LEU   31 - QE    PHE   45   6.48 +/- 0.24   0.433% *  0.2530% (0.61   0.02   0.02) =   0.002%
    Distance limit 3.55 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 = 17.3:
        T QG1   VAL   75 - QD    PHE   45   2.14 +/- 0.25  99.991% * 99.3501% (1.00   2.96  17.28) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   45  10.67 +/- 0.32   0.009% *  0.6499% (0.97   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 17.3:
        T HB    VAL   75 - QD    PHE   45   3.47 +/- 0.15  98.617% * 97.4515% (0.99   2.00  17.28) =  99.994%  kept
          HG3   LYS+  74 - QD    PHE   45   8.06 +/- 0.27   0.654% *  0.3690% (0.38   0.02   0.02) =   0.003%
          QG2   ILE  103 - QD    PHE   45   9.05 +/- 0.22   0.331% *  0.4786% (0.49   0.02   0.02) =   0.002%
          QD2   LEU   40 - QD    PHE   45   9.90 +/- 0.26   0.191% *  0.6361% (0.65   0.02   0.02) =   0.001%
          QD1   LEU   67 - QD    PHE   45  11.62 +/- 0.55   0.074% *  0.5964% (0.61   0.02   0.02) =   0.000%
          QD1   ILE  119 - QD    PHE   45  11.32 +/- 0.43   0.087% *  0.3354% (0.34   0.02   0.02) =   0.000%
          HB2   LEU  104 - QD    PHE   45  12.54 +/- 0.23   0.046% *  0.1331% (0.14   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 2.72, residual support = 11.0:
        T QG2   THR   77 - QD    PHE   45   2.82 +/- 0.23  94.384% * 94.8738% (0.65   2.72  10.99) =  99.974%  kept
          HB3   LEU   80 - QD    PHE   45   5.47 +/- 1.28   3.560% *  0.4040% (0.38   0.02   0.02) =   0.016%
          QB    ALA   88 - QD    PHE   45   6.90 +/- 0.45   0.537% *  1.0388% (0.97   0.02   0.02) =   0.006%
        T HB3   ASP-  44 - QD    PHE   45   5.81 +/- 0.23   1.462% *  0.2130% (0.20   0.02  12.56) =   0.003%
          HB2   LEU   31 - QD    PHE   45  11.95 +/- 0.31   0.018% *  0.5663% (0.53   0.02   0.02) =   0.000%
          HB2   LEU   63 - QD    PHE   45  11.34 +/- 0.28   0.025% *  0.2993% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+ 111 - QD    PHE   45  13.12 +/- 0.31   0.010% *  0.6529% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+  99 - QD    PHE   45  15.82 +/- 0.39   0.003% *  0.9337% (0.87   0.02   0.02) =   0.000%
          HG2   LYS+  38 - QD    PHE   45  19.17 +/- 0.50   0.001% *  1.0182% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.43 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 = 0.727, support = 0.75, residual support = 25.0:
          QG2   THR   94 - QD    PHE   45   3.96 +/- 0.27  68.395% * 67.1270% (0.80   0.75  27.12) =  84.932%  kept
          HG12  ILE   89 - QD    PHE   45   4.55 +/- 0.26  31.473% * 25.8744% (0.31   0.75  12.76) =  15.065%  kept
          HB3   LEU   71 - QD    PHE   45  13.26 +/- 0.84   0.052% *  2.2157% (0.99   0.02   0.02) =   0.002%
          HG3   LYS+ 111 - QD    PHE   45  13.15 +/- 0.34   0.052% *  0.8390% (0.38   0.02   0.02) =   0.001%
          HD2   LYS+ 112 - QD    PHE   45  16.53 +/- 0.54   0.013% *  2.2355% (1.00   0.02   0.02) =   0.001%
          HB3   LYS+ 112 - QD    PHE   45  16.31 +/- 0.48   0.014% *  1.7084% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 17.3:
        T QG1   VAL   75 - QE    PHE   45   2.17 +/- 0.25  99.996% * 99.3041% (0.90   2.31  17.28) = 100.000%  kept
          QD1   LEU  115 - QE    PHE   45  12.20 +/- 0.30   0.004% *  0.6959% (0.73   0.02   0.02) =   0.000%
    Distance limit 4.13 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 = 0.582, support = 0.672, residual support = 11.4:
          HB    ILE   89 - QE    PHE   45   3.85 +/- 0.47  12.148% * 94.4406% (0.61   0.75  12.76) =  89.343%  kept
          HB    VAL   43 - QE    PHE   45   2.68 +/- 0.18  87.713% *  1.5584% (0.38   0.02   0.02) =  10.644%  kept
          QD    LYS+  81 - QE    PHE   45   8.51 +/- 0.42   0.099% *  1.2816% (0.31   0.02   0.02) =   0.010%
          QG1   ILE   56 - QE    PHE   45  10.35 +/- 0.14   0.028% *  0.6407% (0.15   0.02   0.02) =   0.001%
          HB2   LYS+  99 - QE    PHE   45  13.54 +/- 0.45   0.006% *  1.1545% (0.28   0.02   0.02) =   0.001%
          HB3   LYS+  99 - QE    PHE   45  13.26 +/- 0.45   0.006% *  0.9244% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 91 (1.95, 6.68, 130.18 ppm):
    6 chemical-shift based assignments, quality = 0.448, support = 2.0, residual support = 9.71:
          HB3   MET   96 - QE    PHE   45   3.21 +/- 0.21  99.924% * 93.6219% (0.45   2.00   9.71) =  99.999%  kept
          HB    VAL   18 - QE    PHE   45  12.38 +/- 0.81   0.037% *  1.4344% (0.69   0.02   0.02) =   0.001%
          HB2   LEU   40 - QE    PHE   45  13.72 +/- 0.40   0.017% *  1.7442% (0.84   0.02   0.02) =   0.000%
          HB2   LEU   67 - QE    PHE   45  14.62 +/- 0.66   0.013% *  0.8585% (0.41   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QE    PHE   45  16.85 +/- 0.50   0.005% *  1.9277% (0.92   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QE    PHE   45  18.25 +/- 1.75   0.004% *  0.4133% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.25 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 = 1.96, residual support = 9.7:
        T HB2   MET   96 - QE    PHE   45   3.70 +/- 0.03  91.452% * 80.7071% (0.22   1.96   9.71) =  99.873%  kept
          QG    GLN   90 - QE    PHE   45   6.52 +/- 1.36   7.090% *  0.8233% (0.22   0.02   0.02) =   0.079%
          HB3   ASP-  76 - QE    PHE   45   7.95 +/- 0.30   0.956% *  2.6852% (0.73   0.02   0.02) =   0.035%
          HG3   MET   92 - QE    PHE   45  12.05 +/- 0.65   0.084% *  3.5687% (0.97   0.02   0.02) =   0.004%
          HB2   ASP- 105 - QE    PHE   45  11.91 +/- 0.21   0.083% *  3.4136% (0.92   0.02   0.02) =   0.004%
          HB2   GLU-  29 - QE    PHE   45  12.79 +/- 0.62   0.056% *  3.3164% (0.90   0.02   0.02) =   0.003%
        T HB3   PHE   72 - QE    PHE   45  10.30 +/- 0.74   0.217% *  0.6476% (0.18   0.02   0.02) =   0.002%
          HG12  ILE  119 - QE    PHE   45  14.34 +/- 0.66   0.028% *  1.9455% (0.53   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QE    PHE   45  16.15 +/- 0.78   0.014% *  2.3922% (0.65   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   45  16.24 +/- 2.01   0.019% *  0.5005% (0.14   0.02   0.02) =   0.000%
    Distance limit 4.47 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 = 77.1:
      O T HZ    PHE   45 - QE    PHE   45   2.18 +/- 0.00  99.331% * 97.4552% (0.53   1.00  77.13) =  99.982%  kept
          HZ3   TRP   27 - QE    PHE   45   5.30 +/- 0.63   0.669% *  2.5448% (0.69   0.02   0.02) =   0.018%
    Distance limit 3.39 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 = 77.1:
      O   QD    PHE   45 - QE    PHE   45   2.23 +/- 0.00  99.998% * 98.1499% (0.65   3.22  77.13) = 100.000%  kept
          HD2   HIS  122 - QE    PHE   45  14.21 +/- 0.44   0.002% *  0.8456% (0.90   0.02   0.02) =   0.000%
          HE22  GLN  116 - QE    PHE   45  20.20 +/- 0.72   0.000% *  0.8179% (0.87   0.02   0.02) =   0.000%
          HE22  GLN   17 - QE    PHE   45  17.95 +/- 0.93   0.000% *  0.1866% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.31 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 = 9.71:
          HB3   MET   96 - QD    PHE   45   3.78 +/- 0.26  99.736% * 96.5080% (0.80   2.00   9.71) =  99.999%  kept
          HB    VAL   18 - QD    PHE   45  11.58 +/- 0.75   0.149% *  0.4111% (0.34   0.02   0.02) =   0.001%
          HB2   LEU   40 - QD    PHE   45  14.47 +/- 0.37   0.034% *  1.2052% (1.00   0.02   0.02) =   0.000%
          HB3   ARG+  54 - QD    PHE   45  14.67 +/- 0.51   0.032% *  0.7310% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   67 - QD    PHE   45  14.32 +/- 0.64   0.038% *  0.1860% (0.15   0.02   0.02) =   0.000%
          HB3   GLU-  14 - QD    PHE   45  18.44 +/- 1.72   0.010% *  0.5867% (0.49   0.02   0.02) =   0.000%
          HG3   MET   11 - QD    PHE   45  25.00 +/- 2.98   0.002% *  0.3720% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.42 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 = 0.871, support = 1.93, residual support = 9.01:
          HB2   MET   96 - QD    PHE   45   4.75 +/- 0.09  85.625% * 63.5282% (0.87   2.00   9.71) =  92.833%  kept
          HB3   ASP-  76 - QD    PHE   45   6.58 +/- 0.22  12.336% * 33.9939% (0.92   1.01   0.02) =   7.156%  kept
          HG3   MET   92 - QD    PHE   45  10.12 +/- 0.67   1.040% *  0.2498% (0.34   0.02   0.02) =   0.004%
          HB2   ASP- 105 - QD    PHE   45  11.58 +/- 0.21   0.410% *  0.5318% (0.73   0.02   0.02) =   0.004%
          HB    VAL   70 - QD    PHE   45  13.87 +/- 0.36   0.141% *  0.3283% (0.45   0.02   0.02) =   0.001%
          QG    GLN   17 - QD    PHE   45  13.94 +/- 0.60   0.139% *  0.2749% (0.38   0.02   0.02) =   0.001%
          HB2   GLU-  25 - QD    PHE   45  13.75 +/- 0.29   0.146% *  0.2036% (0.28   0.02   0.02) =   0.001%
          HG2   GLU- 100 - QD    PHE   45  17.55 +/- 0.75   0.035% *  0.7068% (0.97   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD    PHE   45  14.10 +/- 0.62   0.130% *  0.1826% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.65 A violated in 0 structures by 0.03 A, kept.
 
    Peak 97 (2.43, 6.86, 131.77 ppm):
    6 chemical-shift based assignments, quality = 0.801, support = 4.62, residual support = 77.1:
      O T HB3   PHE   45 - QD    PHE   45   2.37 +/- 0.04  99.916% * 98.1641% (0.80   4.62  77.13) = 100.000%  kept
          HB3   ASP-  86 - QD    PHE   45   9.44 +/- 0.33   0.026% *  0.4607% (0.87   0.02   0.02) =   0.000%
          HB    VAL  107 - QD    PHE   45   8.38 +/- 0.23   0.052% *  0.1993% (0.38   0.02   0.02) =   0.000%
          QE    LYS+ 112 - QD    PHE   45  13.12 +/- 0.53   0.004% *  0.4253% (0.80   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QD    PHE   45  15.89 +/- 0.45   0.001% *  0.5125% (0.97   0.02   0.02) =   0.000%
          HB3   ASP-  62 - QD    PHE   45  15.02 +/- 0.63   0.002% *  0.2381% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.58 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 = 3.91, residual support = 77.1:
      O T HB2   PHE   45 - QD    PHE   45   2.44 +/- 0.05  99.832% * 99.1997% (0.97   3.91  77.13) = 100.000%  kept
          HB2   CYS   21 - QD    PHE   45   7.13 +/- 0.21   0.164% *  0.2763% (0.53   0.02   0.02) =   0.000%
          QE    LYS+ 111 - QD    PHE   45  13.52 +/- 0.42   0.004% *  0.5240% (1.00   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 99 (3.95, 6.86, 131.77 ppm):
    12 chemical-shift based assignments, quality = 0.687, support = 2.96, residual support = 27.1:
          HB    THR   94 - QD    PHE   45   3.63 +/- 0.25  97.517% * 93.8952% (0.69   2.96  27.12) =  99.985%  kept
          QB    SER   85 - QD    PHE   45   7.75 +/- 0.30   1.122% *  0.8745% (0.95   0.02   0.02) =   0.011%
          QB    SER   48 - QD    PHE   45   9.58 +/- 0.22   0.309% *  0.7403% (0.80   0.02   0.02) =   0.002%
          HA    ALA   88 - QD    PHE   45   8.23 +/- 0.31   0.789% *  0.1426% (0.15   0.02   0.02) =   0.001%
          HD2   PRO   52 - QD    PHE   45  10.70 +/- 0.16   0.156% *  0.2853% (0.31   0.02   0.02) =   0.000%
          HA2   GLY   51 - QD    PHE   45  13.81 +/- 0.17   0.034% *  0.4864% (0.53   0.02   0.02) =   0.000%
          HA    LYS+  65 - QD    PHE   45  16.68 +/- 0.32   0.011% *  0.8291% (0.90   0.02   0.02) =   0.000%
          HA2   GLY   16 - QD    PHE   45  17.84 +/- 0.54   0.007% *  0.8745% (0.95   0.02   0.02) =   0.000%
          QB    SER  117 - QD    PHE   45  14.62 +/- 0.41   0.025% *  0.2570% (0.28   0.02   0.02) =   0.000%
          HA    ALA  120 - QD    PHE   45  18.23 +/- 0.29   0.006% *  0.8922% (0.97   0.02   0.02) =   0.000%
          HA    LYS+ 121 - QD    PHE   45  17.69 +/- 0.22   0.008% *  0.5607% (0.61   0.02   0.02) =   0.000%
          HA    GLN   32 - QD    PHE   45  15.55 +/- 0.20   0.017% *  0.1619% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 0.339, support = 3.72, residual support = 12.5:
          HA    ASP-  44 - QD    PHE   45   3.60 +/- 0.21  82.225% * 81.0099% (0.34   3.80  12.56) =  97.168%  kept
          HB    THR   77 - QD    PHE   45   4.90 +/- 0.32  14.836% * 13.0174% (0.28   0.75  10.99) =   2.817%  kept
          HA    SER   85 - QD    PHE   45   7.54 +/- 0.36   1.024% *  0.3471% (0.28   0.02   0.02) =   0.005%
          HA    ASP-  86 - QD    PHE   45   9.53 +/- 0.30   0.246% *  1.2238% (0.98   0.02   0.02) =   0.004%
          HA    TRP   87 - QD    PHE   45   7.04 +/- 0.29   1.539% *  0.1926% (0.15   0.02   0.02) =   0.004%
          HA    LEU  104 - QD    PHE   45  14.06 +/- 0.18   0.024% *  1.0428% (0.84   0.02   0.02) =   0.000%
          HA    ILE  103 - QD    PHE   45  11.14 +/- 0.20   0.098% *  0.2471% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   45  19.05 +/- 1.51   0.004% *  1.2457% (1.00   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   45  23.13 +/- 2.23   0.002% *  1.2049% (0.97   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   45  24.71 +/- 3.29   0.002% *  0.4686% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.53 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 = 77.1:
          HA    PHE   45 - QD    PHE   45   3.06 +/- 0.08  99.587% * 96.5607% (0.25   4.62  77.13) =  99.998%  kept
          HA    MET   92 - QD    PHE   45   8.22 +/- 0.83   0.358% *  0.4183% (0.25   0.02   0.02) =   0.002%
          HA    VAL   41 - QD    PHE   45  10.84 +/- 0.18   0.051% *  1.3434% (0.80   0.02   0.02) =   0.001%
          HA    HIS  122 - QD    PHE   45  16.60 +/- 0.35   0.004% *  1.6776% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 4.91, residual support = 77.1:
          HN    PHE   45 - QD    PHE   45   2.33 +/- 0.24  98.252% * 98.5473% (0.45   4.91  77.13) =  99.993%  kept
          HN    ASP-  44 - QD    PHE   45   4.66 +/- 0.12   1.727% *  0.4015% (0.45   0.02  12.56) =   0.007%
          HN    ALA  110 - QD    PHE   45  10.35 +/- 0.41   0.014% *  0.6152% (0.69   0.02   0.02) =   0.000%
          HN    GLU-  25 - QD    PHE   45  11.94 +/- 0.26   0.006% *  0.4359% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 77.1:
      O   QE    PHE   45 - HZ    PHE   45   2.18 +/- 0.00  99.995% * 97.6566% (0.98   1.00  77.13) = 100.000%  kept
          QD    PHE   72 - HZ    PHE   45  11.58 +/- 0.29   0.005% *  1.7284% (0.87   0.02   0.02) =   0.000%
          HD22  ASN   69 - HZ    PHE   45  20.65 +/- 0.98   0.000% *  0.6150% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 0.489, support = 4.26, residual support = 57.6:
          HN    TRP   49 - HD1   TRP   49   1.71 +/- 0.03  88.881% * 35.1172% (0.38   4.51  70.30) =  81.286%  kept
          HN    CYS   50 - HD1   TRP   49   2.47 +/- 0.22  11.119% * 64.6309% (0.98   3.18   2.36) =  18.714%  kept
          HN    VAL   83 - HD1   TRP   49  15.83 +/- 0.50   0.000% *  0.2519% (0.61   0.02   0.02) =   0.000%
    Distance limit 3.60 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 = 1.9, residual support = 70.3:
      O   HE1   TRP   49 - HD1   TRP   49   2.64 +/- 0.00 100.000% *100.0000% (0.84   1.90  70.30) = 100.000%  kept
    Distance limit 3.33 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 = 70.3:
      O   HH2   TRP   49 - HZ2   TRP   49   2.52 +/- 0.00  99.999% * 98.0741% (0.41   1.00  70.30) = 100.000%  kept
          QD    PHE   97 - HZ2   TRP   49  17.50 +/- 0.59   0.001% *  0.7362% (0.15   0.02   0.02) =   0.000%
          HE21  GLN   30 - HZ2   TRP   49  22.56 +/- 1.00   0.000% *  1.1897% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.35 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 = 70.3:
      O   HE1   TRP   49 - HZ2   TRP   49   2.85 +/- 0.00 100.000% *100.0000% (0.53   1.00  70.30) = 100.000%  kept
    Distance limit 4.14 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 = 70.3:
      O   HZ2   TRP   49 - HH2   TRP   49   2.52 +/- 0.00 100.000% * 98.7227% (1.00   1.00  70.30) = 100.000%  kept
          HN    LYS+ 121 - HH2   TRP   49  23.38 +/- 0.73   0.000% *  1.2773% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.21 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 = 0.945, support = 0.951, residual support = 4.54:
          QG2   VAL   83 - HZ    PHE   45   3.05 +/- 0.33  83.904% * 29.6198% (0.99   0.62   1.10) =  70.500%  kept
          QD1   ILE   89 - HZ    PHE   45   4.16 +/- 0.23  14.926% * 69.6116% (0.84   1.74  12.76) =  29.475%  kept
          QD2   LEU   31 - HZ    PHE   45   6.48 +/- 0.36   1.170% *  0.7686% (0.80   0.02   0.02) =   0.026%
    Distance limit 4.30 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 = 3.73, residual support = 70.3:
      O T HB2   TRP   49 - HD1   TRP   49   3.92 +/- 0.00  99.673% * 97.6556% (0.65   3.73  70.30) =  99.999%  kept
          HA    VAL   75 - HD1   TRP   49  12.33 +/- 0.22   0.104% *  0.4587% (0.57   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD1   TRP   49  12.27 +/- 1.02   0.120% *  0.2253% (0.28   0.02   0.02) =   0.000%
          HA    ALA   84 - HD1   TRP   49  13.71 +/- 0.47   0.056% *  0.3633% (0.45   0.02   0.02) =   0.000%
          HD3   PRO   58 - HD1   TRP   49  14.40 +/- 0.30   0.041% *  0.2501% (0.31   0.02   0.02) =   0.000%
          HA    ILE  119 - HD1   TRP   49  22.45 +/- 0.45   0.003% *  0.5884% (0.73   0.02   0.02) =   0.000%
          HA    THR  118 - HD1   TRP   49  22.98 +/- 0.49   0.002% *  0.4587% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.15 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 = 3.73, residual support = 70.3:
      O T HB3   TRP   49 - HD1   TRP   49   3.07 +/- 0.04  99.994% * 99.5674% (0.90   3.73  70.30) = 100.000%  kept
          HB3   PHE   59 - HD1   TRP   49  15.84 +/- 0.70   0.006% *  0.4326% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 113 (0.38, 7.35, 128.88 ppm):
    4 chemical-shift based assignments, quality = 0.835, support = 3.91, residual support = 16.9:
          QB    ALA   47 - HD1   TRP   49   1.81 +/- 0.08  99.999% * 99.0595% (0.84   3.91  16.87) = 100.000%  kept
          QG1   VAL   42 - HD1   TRP   49  15.41 +/- 0.46   0.000% *  0.4407% (0.73   0.02   0.02) =   0.000%
          QB    ALA   64 - HD1   TRP   49  16.53 +/- 0.32   0.000% *  0.2721% (0.45   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - HD1   TRP   49  16.36 +/- 0.91   0.000% *  0.2278% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.20 A violated in 0 structures by 0.00 A, kept.
 
    Peak 118 (1.84, 7.49, 115.54 ppm):
    13 chemical-shift based assignments, quality = 0.867, support = 0.75, residual support = 3.49:
          HB3   PRO   52 - HZ2   TRP   49   4.09 +/- 0.05  98.978% * 82.8881% (0.87   0.75   3.49) =  99.981%  kept
          HG2   ARG+  54 - HZ2   TRP   49   9.64 +/- 0.42   0.612% *  1.7504% (0.69   0.02   0.02) =   0.013%
          HB3   GLN   90 - HZ2   TRP   49  11.05 +/- 0.51   0.266% *  1.1424% (0.45   0.02   0.02) =   0.004%
          QB    LYS+  81 - HZ2   TRP   49  13.48 +/- 0.70   0.083% *  0.9564% (0.38   0.02   0.02) =   0.001%
          QB    LYS+ 106 - HZ2   TRP   49  15.40 +/- 0.68   0.036% *  0.8692% (0.34   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HZ2   TRP   49  20.59 +/- 0.73   0.006% *  1.6484% (0.65   0.02   0.02) =   0.000%
          HG12  ILE  103 - HZ2   TRP   49  22.17 +/- 0.66   0.004% *  1.5455% (0.61   0.02   0.02) =   0.000%
          HB    ILE  103 - HZ2   TRP   49  23.08 +/- 0.75   0.003% *  1.8503% (0.73   0.02   0.02) =   0.000%
        T HG    LEU  123 - HZ2   TRP   49  24.82 +/- 0.79   0.002% *  2.2103% (0.87   0.02   0.02) =   0.000%
          QB    LYS+  66 - HZ2   TRP   49  21.49 +/- 0.69   0.005% *  0.7085% (0.28   0.02   0.02) =   0.000%
          HB    VAL   41 - HZ2   TRP   49  23.39 +/- 0.67   0.003% *  1.1424% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HZ2   TRP   49  26.02 +/- 0.29   0.002% *  1.3406% (0.53   0.02   0.02) =   0.000%
          HG3   PRO   68 - HZ2   TRP   49  29.23 +/- 0.90   0.001% *  1.9474% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 119 (0.38, 7.49, 115.54 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 2.13, residual support = 16.9:
          QB    ALA   47 - HZ2   TRP   49   4.16 +/- 0.08  99.826% * 98.0903% (0.69   2.13  16.87) =  99.999%  kept
          HG2   LYS+ 112 - HZ2   TRP   49  13.20 +/- 0.98   0.109% *  0.3349% (0.25   0.02   0.02) =   0.000%
          QG1   VAL   42 - HZ2   TRP   49  15.15 +/- 0.52   0.044% *  0.7603% (0.57   0.02   0.02) =   0.000%
          QB    ALA   64 - HZ2   TRP   49  17.06 +/- 0.34   0.021% *  0.8145% (0.61   0.02   0.02) =   0.000%
    Distance limit 4.06 A violated in 0 structures by 0.10 A, kept.
 
    Peak 120 (2.30, 7.18, 125.21 ppm):
    10 chemical-shift based assignments, quality = 0.335, support = 0.737, residual support = 3.43:
          HG2   PRO   52 - HH2   TRP   49   3.52 +/- 0.79  79.295% * 73.0242% (0.34   0.75   3.49) =  98.261%  kept
          HG2   MET   92 - HH2   TRP   49   5.27 +/- 0.79  20.642% *  4.9520% (0.87   0.02   0.02) =   1.735%
          QG    GLU- 114 - HH2   TRP   49  13.09 +/- 0.82   0.041% *  4.5712% (0.80   0.02   0.02) =   0.003%
          HB2   GLU-  79 - HH2   TRP   49  16.92 +/- 0.62   0.008% *  4.1454% (0.73   0.02   0.02) =   0.001%
          HB2   ASP-  44 - HH2   TRP   49  15.90 +/- 0.43   0.012% *  0.9998% (0.18   0.02   0.02) =   0.000%
          QG    GLU-  15 - HH2   TRP   49  26.99 +/- 0.69   0.000% *  1.4235% (0.25   0.02   0.02) =   0.000%
          QG    GLU-  14 - HH2   TRP   49  26.59 +/- 1.85   0.001% *  0.8808% (0.15   0.02   0.02) =   0.000%
          QB    MET   11 - HH2   TRP   49  34.24 +/- 2.69   0.000% *  3.9214% (0.69   0.02   0.02) =   0.000%
          HG3   GLU-  36 - HH2   TRP   49  36.73 +/- 0.44   0.000% *  4.9520% (0.87   0.02   0.02) =   0.000%
          HG3   GLU-  25 - HH2   TRP   49  29.92 +/- 0.47   0.000% *  1.1298% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.41 A violated in 0 structures by 0.03 A, kept.
 
    Peak 121 (1.84, 7.18, 125.21 ppm):
    13 chemical-shift based assignments, quality = 0.867, support = 2.0, residual support = 3.49:
          HB3   PRO   52 - HH2   TRP   49   3.58 +/- 0.11  99.466% * 92.8146% (0.87   2.00   3.49) =  99.996%  kept
          HG2   ARG+  54 - HH2   TRP   49   8.87 +/- 0.43   0.462% *  0.7350% (0.69   0.02   0.02) =   0.004%
          HB3   GLN   90 - HH2   TRP   49  13.32 +/- 0.53   0.038% *  0.4797% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  81 - HH2   TRP   49  15.65 +/- 0.69   0.015% *  0.4016% (0.38   0.02   0.02) =   0.000%
          QB    LYS+ 106 - HH2   TRP   49  16.76 +/- 0.62   0.010% *  0.3650% (0.34   0.02   0.02) =   0.000%
          HB3   ASP- 105 - HH2   TRP   49  21.81 +/- 0.65   0.002% *  0.6922% (0.65   0.02   0.02) =   0.000%
          HG    LEU  123 - HH2   TRP   49  25.11 +/- 0.73   0.001% *  0.9281% (0.87   0.02   0.02) =   0.000%
          HG12  ILE  103 - HH2   TRP   49  24.08 +/- 0.61   0.001% *  0.6490% (0.61   0.02   0.02) =   0.000%
          HB    ILE  103 - HH2   TRP   49  24.87 +/- 0.68   0.001% *  0.7770% (0.73   0.02   0.02) =   0.000%
          QB    LYS+  66 - HH2   TRP   49  22.00 +/- 0.63   0.002% *  0.2975% (0.28   0.02   0.02) =   0.000%
          HB    VAL   41 - HH2   TRP   49  25.30 +/- 0.64   0.001% *  0.4797% (0.45   0.02   0.02) =   0.000%
          QB    LYS+  33 - HH2   TRP   49  27.77 +/- 0.28   0.000% *  0.5629% (0.53   0.02   0.02) =   0.000%
          HG3   PRO   68 - HH2   TRP   49  30.13 +/- 0.82   0.000% *  0.8177% (0.76   0.02   0.02) =   0.000%
    Distance limit 4.17 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 = 2.3, residual support = 19.3:
      O   QB    PHE   55 - QD    PHE   55   2.14 +/- 0.00  99.603% * 94.1528% (0.25   2.30  19.33) =  99.992%  kept
          HD2   ARG+  54 - QD    PHE   55   5.78 +/- 0.65   0.345% *  1.9897% (0.61   0.02   2.99) =   0.007%
          HB3   CYS   53 - QD    PHE   55   8.44 +/- 0.48   0.029% *  1.7259% (0.53   0.02   0.02) =   0.001%
          HD3   PRO   93 - QD    PHE   55   8.70 +/- 0.42   0.023% *  1.1190% (0.34   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   55  18.91 +/- 0.68   0.000% *  1.0125% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 0.842, support = 1.69, residual support = 18.5:
          HA    PHE   55 - QD    PHE   55   2.99 +/- 0.26  96.143% * 46.8622% (0.84   1.70  19.33) =  95.805%  kept
          HA    ALA  110 - QD    PHE   55   5.30 +/- 0.42   3.797% * 51.9635% (1.00   1.58   0.46) =   4.195%  kept
          HA    VAL  107 - QD    PHE   55  11.30 +/- 0.42   0.040% *  0.2253% (0.34   0.02   0.02) =   0.000%
          HA    GLN   90 - QD    PHE   55  16.60 +/- 0.73   0.004% *  0.6373% (0.97   0.02   0.02) =   0.000%
          HA    ALA   91 - QD    PHE   55  13.92 +/- 0.96   0.013% *  0.1470% (0.22   0.02   0.02) =   0.000%
          HA    VAL   42 - QD    PHE   55  16.74 +/- 0.33   0.004% *  0.1647% (0.25   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 0.464:
          QB    ALA  110 - QD    PHE   55   3.81 +/- 0.43  95.719% * 71.6694% (0.80   0.47   0.46) =  99.902%  kept
          HB3   LEU  115 - QD    PHE   55   6.88 +/- 0.58   3.494% *  1.1687% (0.31   0.02   0.02) =   0.059%
          QB    ALA   61 - QD    PHE   55   9.23 +/- 0.28   0.616% *  3.6544% (0.97   0.02   0.02) =   0.033%
        T QG    LYS+  66 - QD    PHE   55  12.92 +/- 0.63   0.082% *  3.5820% (0.95   0.02   0.02) =   0.004%
          HB3   LEU   67 - QD    PHE   55  18.10 +/- 0.44   0.010% *  3.7866% (1.00   0.02   0.02) =   0.001%
          HG    LEU   73 - QD    PHE   55  19.46 +/- 0.39   0.007% *  3.0321% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+  74 - QD    PHE   55  15.93 +/- 0.55   0.023% *  0.6632% (0.18   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    PHE   55  21.03 +/- 0.84   0.004% *  3.1629% (0.84   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    PHE   55  17.15 +/- 1.36   0.017% *  0.7494% (0.20   0.02   0.02) =   0.000%
        T HG    LEU   67 - QD    PHE   55  18.13 +/- 1.44   0.014% *  0.8430% (0.22   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    PHE   55  21.54 +/- 0.46   0.004% *  2.7497% (0.73   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    PHE   55  19.71 +/- 0.65   0.006% *  1.1687% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    PHE   55  21.95 +/- 0.61   0.003% *  1.1687% (0.31   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   55  26.26 +/- 0.79   0.001% *  2.6011% (0.69   0.02   0.02) =   0.000%
    Distance limit 3.90 A violated in 2 structures by 0.13 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 = 0.855, support = 0.0195, residual support = 0.0195:
          QD2   LEU  115 - QD    PHE   55   5.98 +/- 0.50  90.081% * 17.2492% (0.87   0.02   0.02) =  90.573%  kept
          QD1   LEU   63 - QD    PHE   55   9.62 +/- 0.68   5.966% * 19.8413% (1.00   0.02   0.02) =   6.900%  kept
          QD2   LEU   63 - QD    PHE   55  10.67 +/- 0.92   3.420% * 10.4622% (0.53   0.02   0.02) =   2.086%
          QD1   LEU   73 - QD    PHE   55  17.47 +/- 0.42   0.158% * 19.8413% (1.00   0.02   0.02) =   0.183%
        T QD2   LEU   80 - QD    PHE   55  18.01 +/- 0.59   0.131% * 16.6097% (0.84   0.02   0.02) =   0.127%
          QD1   LEU  104 - QD    PHE   55  17.39 +/- 0.41   0.160% * 12.0611% (0.61   0.02   0.02) =   0.112%
          QG1   VAL   83 - QD    PHE   55  19.71 +/- 0.73   0.084% *  3.9353% (0.20   0.02   0.02) =   0.019%
    Distance limit 4.08 A violated in 20 structures by 1.83 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   3.04 +/- 0.31  99.988% * 72.5341% (0.99   0.02   0.02) =  99.995%  kept
          HB3   TRP   49 - QE    PHE   95  14.27 +/- 0.27   0.012% * 27.4659% (0.38   0.02   0.02) =   0.005%
    Distance limit 4.01 A violated in 0 structures by 0.01 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 = 40.6:
          HB    VAL  107 - QE    PHE   95   4.52 +/- 0.29  67.768% * 90.6870% (0.28   2.86  40.89) =  99.207%  kept
        T QE    LYS+ 112 - QE    PHE   95   5.47 +/- 0.64  26.434% *  1.5673% (0.69   0.02   0.02) =   0.669%
          HB3   PHE   45 - QE    PHE   95   7.87 +/- 0.33   2.473% *  1.5673% (0.69   0.02   1.89) =   0.063%
        T HB3   ASP-  62 - QE    PHE   95   7.82 +/- 0.49   2.686% *  1.2918% (0.57   0.02   0.02) =   0.056%
          HG3   MET   96 - QE    PHE   95   9.87 +/- 0.11   0.609% *  0.4515% (0.20   0.02  11.99) =   0.004%
          HB3   ASP-  86 - QE    PHE   95  17.09 +/- 0.46   0.023% *  2.1584% (0.95   0.02   0.02) =   0.001%
          HG2   GLU-  29 - QE    PHE   95  20.85 +/- 0.69   0.007% *  2.2766% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.51 A violated in 3 structures by 0.13 A, kept.
 
    Peak 129 (1.70, 7.33, 131.79 ppm):
    10 chemical-shift based assignments, quality = 0.526, support = 0.705, residual support = 1.04:
          QG1   ILE   56 - QE    PHE   95   1.74 +/- 0.07  99.931% * 76.0878% (0.53   0.71   1.04) =  99.998%  kept
          HG3   PRO   93 - QE    PHE   95   6.41 +/- 0.43   0.048% *  1.5397% (0.38   0.02   0.02) =   0.001%
          HB3   MET   92 - QE    PHE   95   8.40 +/- 0.39   0.009% *  3.2850% (0.80   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - QE    PHE   95   9.29 +/- 0.61   0.005% *  2.8180% (0.69   0.02   0.02) =   0.000%
          HB2   LEU   73 - QE    PHE   95   9.82 +/- 0.30   0.003% *  3.7871% (0.92   0.02   0.02) =   0.000%
          QD    LYS+ 106 - QE    PHE   95  10.34 +/- 0.48   0.002% *  4.0934% (1.00   0.02   0.02) =   0.000%
          QD    LYS+  99 - QE    PHE   95  13.60 +/- 0.27   0.000% *  4.1025% (1.00   0.02   0.02) =   0.000%
          HB2   LEU  123 - QE    PHE   95  12.86 +/- 0.44   0.001% *  1.6866% (0.41   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QE    PHE   95  14.49 +/- 0.63   0.000% *  1.6866% (0.41   0.02   0.02) =   0.000%
          QD    LYS+ 102 - QE    PHE   95  17.12 +/- 0.27   0.000% *  0.9134% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.36 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 = 40.9:
          QG2   VAL  107 - QE    PHE   95   3.07 +/- 0.27  97.845% * 97.1636% (0.69   2.31  40.89) =  99.990%  kept
          QG2   THR   94 - QE    PHE   95   6.21 +/- 0.12   1.579% *  0.4176% (0.34   0.02  14.14) =   0.007%
          HB3   LYS+ 112 - QE    PHE   95   7.78 +/- 0.48   0.439% *  0.4595% (0.38   0.02   0.02) =   0.002%
          HG13  ILE  103 - QE    PHE   95  11.93 +/- 0.35   0.034% *  1.2215% (1.00   0.02   0.02) =   0.000%
        T QB    ALA   20 - QE    PHE   95  10.42 +/- 0.35   0.078% *  0.1889% (0.15   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QE    PHE   95  12.39 +/- 0.63   0.024% *  0.5489% (0.45   0.02   0.02) =   0.000%
    Distance limit 4.40 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 = 0.904, support = 1.83, residual support = 4.89:
          QD2   LEU  115 - QE    PHE   95   4.10 +/- 0.44  50.876% * 65.8195% (0.87   2.19   6.01) =  71.611%  kept
          QD1   LEU   63 - QE    PHE   95   4.25 +/- 0.20  41.409% * 31.9894% (1.00   0.93   2.08) =  28.328%  kept
          QD2   LEU   63 - QE    PHE   95   6.01 +/- 0.76   7.292% *  0.3644% (0.53   0.02   2.08) =   0.057%
          QD1   LEU   73 - QE    PHE   95  10.27 +/- 0.26   0.203% *  0.6911% (1.00   0.02   0.02) =   0.003%
        T QD2   LEU   80 - QE    PHE   95  12.12 +/- 0.58   0.079% *  0.5785% (0.84   0.02   0.02) =   0.001%
          QD1   LEU  104 - QE    PHE   95  11.53 +/- 0.38   0.103% *  0.4201% (0.61   0.02   0.02) =   0.001%
          QG1   VAL   83 - QE    PHE   95  13.64 +/- 0.67   0.039% *  0.1371% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.99 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 = 6.01:
        T QD1   LEU  115 - QE    PHE   95   2.91 +/- 0.48  98.979% * 97.1001% (0.34   1.50   6.01) =  99.981%  kept
          QB    ALA   64 - QE    PHE   95   7.01 +/- 0.25   0.763% *  2.1488% (0.57   0.02   0.02) =   0.017%
          QG1   VAL   75 - QE    PHE   95   8.86 +/- 0.62   0.258% *  0.7511% (0.20   0.02   0.02) =   0.002%
    Distance limit 4.05 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 = 69.2:
      O   QE    PHE   60 - QD    PHE   60   2.23 +/- 0.00  98.738% * 96.3059% (0.84   1.11  69.18) =  99.996%  kept
          HN    LEU   63 - QD    PHE   60   4.71 +/- 0.36   1.260% *  0.3207% (0.15   0.02  10.95) =   0.004%
          HZ2   TRP   87 - QD    PHE   60  13.28 +/- 0.68   0.002% *  1.8641% (0.90   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD    PHE   60  18.03 +/- 0.55   0.000% *  1.5093% (0.73   0.02   0.02) =   0.000%
    Distance limit 3.49 A violated in 0 structures by 0.00 A, kept.
 
    Peak 134 (2.96, 7.29, 132.36 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 3.76, residual support = 69.2:
      O T HB3   PHE   60 - QD    PHE   60   2.65 +/- 0.15  99.781% * 98.5410% (0.73   3.76  69.18) = 100.000%  kept
          QE    LYS+  65 - QD    PHE   60   8.18 +/- 0.64   0.143% *  0.1266% (0.18   0.02   0.02) =   0.000%
          HB2   PHE   97 - QD    PHE   60   9.67 +/- 0.70   0.049% *  0.1115% (0.15   0.02   0.02) =   0.000%
          QE    LYS+ 106 - QD    PHE   60  12.74 +/- 0.94   0.009% *  0.3802% (0.53   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   60  11.70 +/- 0.38   0.014% *  0.0978% (0.14   0.02   0.02) =   0.000%
          HB2   ASN   35 - QD    PHE   60  16.78 +/- 0.56   0.002% *  0.4964% (0.69   0.02   0.02) =   0.000%
          HB2   ASP-  86 - QD    PHE   60  16.19 +/- 0.40   0.002% *  0.2465% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 0.87, support = 0.0194, residual support = 0.542:
          QD2   LEU   73 - QD    PHE   60   6.62 +/- 0.48  59.734% * 24.7461% (0.84   0.02   0.90) =  59.462%  kept
          QD1   ILE   56 - QD    PHE   60   7.36 +/- 0.26  31.861% * 29.3642% (0.99   0.02   0.02) =  37.635%  kept
        T QG1   VAL   41 - QD    PHE   60   9.64 +/- 0.37   6.522% *  5.1885% (0.18   0.02   0.02) =   1.361%
          HG    LEU   31 - QD    PHE   60  13.02 +/- 0.78   1.128% * 20.3506% (0.69   0.02   0.02) =   0.924%
          HG3   LYS+ 121 - QD    PHE   60  13.79 +/- 0.80   0.754% * 20.3506% (0.69   0.02   0.02) =   0.617%
    Distance limit 3.68 A violated in 20 structures by 2.46 A, eliminated.
    Peak unassigned.
 
    Peak 139 (0.40, 7.29, 132.36 ppm):
    1 chemical-shift based assignment, quality = 0.946, support = 1.51, residual support = 1.93:
          QB    ALA   64 - QD    PHE   60   3.52 +/- 0.29 100.000% *100.0000% (0.95   1.51   1.93) = 100.000%  kept
    Distance limit 3.60 A violated in 1 structures by 0.05 A, kept.
 
    Peak 140 (8.40, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.965, support = 4.1, residual support = 62.6:
          HN    PHE   97 - QD    PHE   97   3.24 +/- 0.22  99.764% * 99.3281% (0.97   4.10  62.65) =  99.999%  kept
          HN    LEU  115 - QD    PHE   97   9.19 +/- 0.34   0.207% *  0.4846% (0.97   0.02   0.02) =   0.001%
          HN    ASP- 113 - QD    PHE   97  12.74 +/- 0.23   0.028% *  0.0994% (0.20   0.02   0.02) =   0.000%
          HN    ALA   12 - QD    PHE   97  23.11 +/- 1.91   0.001% *  0.0879% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.26 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 = 0.664, support = 0.0197, residual support = 0.0197:
          HA    THR  118 - QD    PHE   97   6.00 +/- 0.22  60.583% * 16.5844% (0.61   0.02   0.02) =  55.821%  kept
          HA    ILE  119 - QD    PHE   97   6.54 +/- 0.35  36.718% * 20.8964% (0.76   0.02   0.02) =  42.627%  kept
          HA2   GLY  109 - QD    PHE   97  12.07 +/- 0.23   0.931% *  8.4394% (0.31   0.02   0.02) =   0.437%
          HA    ALA   84 - QD    PHE   97  13.06 +/- 0.28   0.585% * 13.3093% (0.49   0.02   0.02) =   0.433%
          HA    VAL   75 - QD    PHE   97  13.78 +/- 0.25   0.428% * 14.3858% (0.53   0.02   0.02) =   0.342%
          HD3   PRO   58 - QD    PHE   97  12.59 +/- 0.24   0.720% *  7.6024% (0.28   0.02   0.02) =   0.304%
          HB2   TRP   49 - QD    PHE   97  20.92 +/- 0.19   0.034% * 18.7822% (0.69   0.02   0.02) =   0.036%
    Distance limit 3.92 A violated in 20 structures by 1.62 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   2.34 +/- 0.03  99.401% * 97.4912% (0.90   2.44  62.65) =  99.997%  kept
          QE    LYS+ 106 - QD    PHE   97   6.79 +/- 0.79   0.270% *  0.8440% (0.95   0.02  12.38) =   0.002%
          QE    LYS+  99 - QD    PHE   97   6.28 +/- 0.44   0.298% *  0.1766% (0.20   0.02   0.02) =   0.001%
          HB3   PHE   60 - QD    PHE   97   9.31 +/- 0.69   0.029% *  0.7144% (0.80   0.02   0.02) =   0.000%
          HB3   TRP   27 - QD    PHE   97  14.24 +/- 0.37   0.002% *  0.7739% (0.87   0.02   0.02) =   0.000%
    Distance limit 4.23 A violated in 0 structures by 0.00 A, kept.
 
    Peak 143 (2.36, 7.13, 131.79 ppm):
    5 chemical-shift based assignments, quality = 1.0, support = 2.74, residual support = 62.7:
      O T HB3   PHE   97 - QD    PHE   97   2.47 +/- 0.05  99.973% * 97.9268% (1.00   2.74  62.65) = 100.000%  kept
          HB2   GLU- 100 - QD    PHE   97  10.89 +/- 0.52   0.015% *  0.6419% (0.90   0.02   0.02) =   0.000%
          HB2   GLN  116 - QD    PHE   97  11.68 +/- 0.31   0.009% *  0.6907% (0.97   0.02   0.02) =   0.000%
          HB2   PRO   58 - QD    PHE   97  14.30 +/- 0.29   0.003% *  0.5197% (0.73   0.02   0.02) =   0.000%
          QG    GLU-  79 - QD    PHE   97  17.13 +/- 0.73   0.001% *  0.2209% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.79 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 = 0.82, support = 0.0196, residual support = 0.736:
          QG1   VAL  107 - QD    PHE   97   4.00 +/- 0.10  96.455% * 22.7290% (0.84   0.02   0.75) =  98.138%  kept
          HG13  ILE  119 - QD    PHE   97   7.15 +/- 0.50   3.329% * 11.1870% (0.41   0.02   0.02) =   1.667%
          HD3   LYS+ 112 - QD    PHE   97  13.17 +/- 1.04   0.086% * 26.6727% (0.98   0.02   0.02) =   0.102%
          HB3   LEU   31 - QD    PHE   97  12.73 +/- 0.48   0.097% * 12.1998% (0.45   0.02   0.02) =   0.053%
          QG1   VAL   24 - QD    PHE   97  15.35 +/- 0.91   0.033% * 27.2115% (1.00   0.02   0.02) =   0.040%
    Distance limit 3.69 A violated in 11 structures by 0.31 A, eliminated.
    Peak unassigned.
 
    Peak 145 (1.02, 7.13, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.687, support = 3.3, residual support = 17.9:
          HB2   LEU  104 - QD    PHE   97   3.83 +/- 0.12  94.361% * 98.1982% (0.69   3.30  17.87) =  99.957%  kept
          QD1   ILE  119 - QD    PHE   97   7.23 +/- 0.79   3.834% *  0.8200% (0.95   0.02   0.02) =   0.034%
          QG2   VAL  108 - QD    PHE   97   7.57 +/- 0.56   1.695% *  0.4561% (0.53   0.02   0.02) =   0.008%
          HB    VAL   75 - QD    PHE   97  11.84 +/- 0.37   0.109% *  0.5258% (0.61   0.02   0.02) =   0.001%
    Distance limit 3.82 A violated in 1 structures by 0.04 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   3.11 +/- 0.24  80.514% * 36.7154% (0.20   0.02   0.02) =  70.564%  kept
          QG2   VAL   70 - QD    PHE   97   4.05 +/- 0.35  19.486% * 63.2846% (0.34   0.02   0.02) =  29.436%  kept
    Distance limit 3.96 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 = 0.992, support = 0.0198, residual support = 0.0198:
          QB    ALA   64 - QD    PHE   97   8.25 +/- 0.36  95.648% * 85.0969% (1.00   0.02   0.02) =  99.210%  kept
          QB    ALA   47 - QD    PHE   97  13.86 +/- 0.24   4.352% * 14.9031% (0.18   0.02   0.02) =   0.790%
    Distance limit 4.27 A violated in 20 structures by 3.98 A, eliminated.
    Peak unassigned.
 
    Peak 148 (8.40, 7.19, 131.79 ppm):
    4 chemical-shift based assignments, quality = 0.938, support = 0.0194, residual support = 19.4:
          HN    LEU  115 - QD    PHE   59   4.77 +/- 0.17  93.228% * 41.9018% (0.97   0.02  19.98) =  97.221%  kept
          HN    PHE   97 - QD    PHE   59   9.41 +/- 0.24   1.606% * 41.9018% (0.97   0.02   0.02) =   1.675%
          HN    ASP- 113 - QD    PHE   59   7.75 +/- 0.21   5.159% *  8.5925% (0.20   0.02   0.02) =   1.103%
          HN    ALA   12 - QD    PHE   59  23.91 +/- 1.45   0.007% *  7.6039% (0.18   0.02   0.02) =   0.001%
    Distance limit 4.46 A violated in 13 structures by 0.33 A, eliminated.
    Peak unassigned.
 
    Peak 149 (4.37, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.606, support = 2.33, residual support = 52.7:
          HA    PHE   59 - QD    PHE   59   3.26 +/- 0.26  88.981% * 66.3124% (0.61   2.39  54.73) =  94.761%  kept
          HA    ILE   56 - QD    PHE   59   4.69 +/- 0.32  10.555% * 30.8686% (0.61   1.11  15.72) =   5.232%  kept
          HA    ASP- 113 - QD    PHE   59   8.22 +/- 0.16   0.373% *  0.9113% (1.00   0.02   0.02) =   0.005%
          HA    LEU  123 - QD    PHE   59  10.99 +/- 0.42   0.067% *  0.4446% (0.49   0.02   0.02) =   0.000%
          HA    LYS+  99 - QD    PHE   59  14.59 +/- 0.29   0.012% *  0.7314% (0.80   0.02   0.02) =   0.000%
          HA    ASN   35 - QD    PHE   59  18.94 +/- 0.46   0.003% *  0.5909% (0.65   0.02   0.02) =   0.000%
          HA    TRP   87 - QD    PHE   59  15.13 +/- 0.38   0.010% *  0.1409% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.98 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 = 0.97, support = 0.0196, residual support = 12.2:
        T HA    ILE  119 - QD    PHE   59   5.24 +/- 0.32  81.522% * 21.3375% (1.00   0.02  13.60) =  83.112%  kept
        T HA    THR  118 - QD    PHE   59   6.95 +/- 0.30  15.409% * 20.2294% (0.95   0.02   5.94) =  14.894%  kept
          HA2   GLY  109 - QD    PHE   59   9.58 +/- 0.44   2.302% * 14.6895% (0.69   0.02   0.02) =   1.616%
          HA    ALA   84 - QD    PHE   59  14.48 +/- 0.35   0.195% * 18.5500% (0.87   0.02   0.02) =   0.173%
          HB2   TRP   49 - QD    PHE   59  15.83 +/- 0.34   0.112% * 20.9616% (0.98   0.02   0.02) =   0.112%
          HA    VAL   75 - QD    PHE   59  12.57 +/- 0.33   0.459% *  4.2321% (0.20   0.02   0.02) =   0.093%
    Distance limit 4.26 A violated in 19 structures by 0.82 A, eliminated.
    Peak unassigned.
 
    Peak 151 (3.32, 7.19, 131.79 ppm):
    6 chemical-shift based assignments, quality = 0.965, support = 2.44, residual support = 54.7:
      O   HB2   PHE   59 - QD    PHE   59   2.47 +/- 0.12  99.770% * 97.5747% (0.97   2.44  54.73) =  99.999%  kept
          QB    PHE   55 - QD    PHE   59   7.50 +/- 0.22   0.139% *  0.6344% (0.76   0.02   0.02) =   0.001%
          HB3   CYS   53 - QD    PHE   59   8.94 +/- 0.61   0.048% *  0.3722% (0.45   0.02   0.02) =   0.000%
          HD3   PRO   93 - QD    PHE   59  10.03 +/- 0.43   0.025% *  0.5370% (0.65   0.02   0.02) =   0.000%
          HD3   PRO   68 - QD    PHE   59  11.47 +/- 0.75   0.011% *  0.5702% (0.69   0.02   0.02) =   0.000%
          HD2   ARG+  54 - QD    PHE   59  12.56 +/- 0.66   0.006% *  0.3115% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.83 A violated in 0 structures by 0.00 A, kept.
 
    Peak 152 (3.17, 7.19, 131.79 ppm):
    2 chemical-shift based assignments, quality = 0.965, support = 2.86, residual support = 54.7:
      O   HB3   PHE   59 - QD    PHE   59   2.39 +/- 0.12  99.999% * 99.7768% (0.97   2.86  54.73) = 100.000%  kept
          HB3   TRP   49 - QD    PHE   59  16.45 +/- 0.32   0.001% *  0.2232% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.65 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 = 0.799, support = 0.02, residual support = 15.6:
          HB2   GLN  116 - QD    PHE   59   6.62 +/- 0.23  61.516% * 20.2947% (0.65   0.02   0.02) =  51.907%  kept
          HB2   PRO   58 - QD    PHE   59   7.38 +/- 0.06  32.060% * 31.0944% (0.99   0.02  37.68) =  41.448%  kept
          HB3   PHE   97 - QD    PHE   59   9.69 +/- 0.24   6.276% * 25.1208% (0.80   0.02   0.02) =   6.555%  kept
          HB2   GLU- 100 - QD    PHE   59  18.72 +/- 0.45   0.121% * 16.5055% (0.53   0.02   0.02) =   0.083%
          HG3   GLU-  25 - QD    PHE   59  24.03 +/- 0.34   0.027% *  6.9845% (0.22   0.02   0.02) =   0.008%
    Distance limit 4.09 A violated in 20 structures by 2.00 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 = 15.7:
        T QG1   ILE   56 - QD    PHE   59   3.44 +/- 0.38  99.656% * 96.8651% (0.97   1.74  15.72) =  99.998%  kept
          QD    LYS+ 106 - QD    PHE   59  10.75 +/- 0.59   0.129% *  0.3942% (0.34   0.02   0.02) =   0.001%
          HB    ILE   89 - QD    PHE   59  13.11 +/- 0.19   0.037% *  0.9253% (0.80   0.02   0.02) =   0.000%
          HB3   LYS+  99 - QD    PHE   59  13.86 +/- 0.68   0.027% *  1.1530% (1.00   0.02   0.02) =   0.000%
          HB2   LEU   73 - QD    PHE   59  11.10 +/- 0.43   0.105% *  0.2287% (0.20   0.02   0.02) =   0.000%
          QD    LYS+  99 - QD    PHE   59  12.72 +/- 0.36   0.045% *  0.4337% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.14 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 = 0.618, support = 1.54, residual support = 20.0:
          HB3   LEU  115 - QD    PHE   59   1.95 +/- 0.49  84.794% * 66.6585% (0.65   1.50  19.98) =  94.152%  kept
          HG    LEU  115 - QD    PHE   59   3.25 +/- 0.74  14.863% * 23.6036% (0.15   2.23  19.98) =   5.844%  kept
          QB    ALA  110 - QD    PHE   59   6.65 +/- 0.58   0.168% *  0.6160% (0.45   0.02   0.02) =   0.002%
          QB    ALA   61 - QD    PHE   59   5.82 +/- 0.14   0.104% *  0.9437% (0.69   0.02   0.75) =   0.002%
          QG    LYS+  66 - QD    PHE   59   7.82 +/- 0.51   0.032% *  1.3259% (0.97   0.02   0.02) =   0.001%
          QB    ALA  120 - QD    PHE   59   7.54 +/- 0.32   0.025% *  0.2120% (0.15   0.02   0.02) =   0.000%
          HB3   LEU   67 - QD    PHE   59   9.86 +/- 0.47   0.004% *  1.1476% (0.84   0.02   0.02) =   0.000%
          HG    LEU   67 - QD    PHE   59  10.14 +/- 1.24   0.004% *  0.7228% (0.53   0.02   0.02) =   0.000%
          HG    LEU   73 - QD    PHE   59  11.48 +/- 0.47   0.002% *  1.3708% (1.00   0.02   0.02) =   0.000%
          HG    LEU   40 - QD    PHE   59  11.21 +/- 0.76   0.002% *  0.8888% (0.65   0.02   0.02) =   0.000%
          HG12  ILE   19 - QD    PHE   59  14.32 +/- 0.34   0.000% *  0.5156% (0.38   0.02   0.02) =   0.000%
          HG2   LYS+ 102 - QD    PHE   59  18.73 +/- 0.75   0.000% *  1.3259% (0.97   0.02   0.02) =   0.000%
          HG    LEU   80 - QD    PHE   59  16.46 +/- 1.04   0.000% *  0.6687% (0.49   0.02   0.02) =   0.000%
    Distance limit 4.49 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 = 0.472, support = 1.54, residual support = 11.8:
        T HG13  ILE  119 - QD    PHE   59   3.49 +/- 0.23  74.627% * 59.3023% (0.41   1.71  13.60) =  85.301%  kept
        T QG1   VAL  107 - QD    PHE   59   4.41 +/- 0.35  20.617% * 36.6097% (0.84   0.52   1.42) =  14.548%  kept
          HD3   LYS+ 112 - QD    PHE   59   6.21 +/- 1.28   4.745% *  1.6500% (0.98   0.02   0.02) =   0.151%
          QG1   VAL   24 - QD    PHE   59  16.59 +/- 0.79   0.007% *  1.6833% (1.00   0.02   0.02) =   0.000%
          HB3   LEU   31 - QD    PHE   59  17.44 +/- 0.34   0.005% *  0.7547% (0.45   0.02   0.02) =   0.000%
    Distance limit 3.52 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 = 0.894, support = 0.02, residual support = 0.02:
          QD2   LEU  123 - QD    PHE   59   8.65 +/- 0.57  68.845% * 60.0043% (0.98   0.02   0.02) =  86.307%  kept
          HG3   LYS+ 121 - QD    PHE   59  10.60 +/- 0.38  21.013% * 22.9752% (0.38   0.02   0.02) =  10.086%  kept
          HB3   LEU  104 - QD    PHE   59  11.93 +/- 0.31  10.142% * 17.0205% (0.28   0.02   0.02) =   3.606%  kept
    Distance limit 4.27 A violated in 20 structures by 3.83 A, eliminated.
    Peak unassigned.
 
    Peak 158 (0.59, 7.19, 131.79 ppm):
    7 chemical-shift based assignments, quality = 0.976, support = 2.82, residual support = 18.5:
          QD2   LEU  115 - QD    PHE   59   1.96 +/- 0.59  80.768% * 71.0347% (0.98   2.96  19.98) =  92.266%  kept
          QD1   LEU   63 - QD    PHE   59   2.79 +/- 0.37  17.597% * 27.3130% (0.92   1.21   0.43) =   7.729%  kept
          QD2   LEU   63 - QD    PHE   59   4.29 +/- 0.78   1.628% *  0.1672% (0.34   0.02   0.43) =   0.004%
          QD1   LEU  104 - QD    PHE   59  10.72 +/- 0.37   0.004% *  0.3925% (0.80   0.02   0.02) =   0.000%
          QD1   LEU   73 - QD    PHE   59  11.12 +/- 0.39   0.003% *  0.4525% (0.92   0.02   0.02) =   0.000%
          QD2   LEU   80 - QD    PHE   59  13.93 +/- 0.60   0.001% *  0.4730% (0.97   0.02   0.02) =   0.000%
          QG1   VAL   83 - QD    PHE   59  15.37 +/- 0.66   0.000% *  0.1672% (0.34   0.02   0.02) =   0.000%
    Distance limit 3.81 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 = 2.94, residual support = 20.0:
        T QD1   LEU  115 - QD    PHE   59   2.66 +/- 0.43  98.978% * 99.3510% (0.84   2.94  19.98) =  99.998%  kept
          QB    ALA   64 - QD    PHE   59   6.11 +/- 0.27   0.971% *  0.1250% (0.15   0.02   0.02) =   0.001%
          QG1   VAL   75 - QD    PHE   59  10.85 +/- 0.77   0.050% *  0.5240% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.85 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 = 20.0:
        T HA    LEU  115 - QE    PHE   59   2.48 +/- 0.36  99.635% * 92.0461% (0.73   1.50  19.98) =  99.995%  kept
          HA    GLU- 114 - QE    PHE   59   6.89 +/- 0.45   0.278% *  1.6864% (1.00   0.02   0.02) =   0.005%
          HA    CYS   53 - QE    PHE   59   8.87 +/- 0.40   0.068% *  0.2960% (0.18   0.02   0.02) =   0.000%
        T HA    ARG+  54 - QE    PHE   59  11.75 +/- 0.45   0.013% *  0.3345% (0.20   0.02   0.02) =   0.000%
          HA1   GLY  101 - QE    PHE   59  15.75 +/- 0.99   0.002% *  1.6567% (0.98   0.02   0.02) =   0.000%
          HA    ALA   34 - QE    PHE   59  15.41 +/- 0.58   0.002% *  1.4661% (0.87   0.02   0.02) =   0.000%
          HA    ASN   28 - QE    PHE   59  17.08 +/- 0.57   0.001% *  1.1610% (0.69   0.02   0.02) =   0.000%
          HA    THR   26 - QE    PHE   59  18.78 +/- 0.62   0.001% *  1.3533% (0.80   0.02   0.02) =   0.000%
    Distance limit 4.08 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 = 1.83, residual support = 5.94:
        T HB    THR  118 - QE    PHE   59   2.95 +/- 0.57  99.939% * 97.4677% (0.95   1.83   5.94) = 100.000%  kept
          HA    ILE   89 - QE    PHE   59  11.90 +/- 0.33   0.038% *  0.6834% (0.61   0.02   0.02) =   0.000%
          HB    THR   39 - QE    PHE   59  14.23 +/- 0.61   0.013% *  0.5051% (0.45   0.02   0.02) =   0.000%
          HB3   SER   37 - QE    PHE   59  16.58 +/- 0.69   0.005% *  0.6834% (0.61   0.02   0.02) =   0.000%
          QB    SER   13 - QE    PHE   59  18.46 +/- 0.93   0.003% *  0.4632% (0.41   0.02   0.02) =   0.000%
          HB3   SER   82 - QE    PHE   59  19.94 +/- 0.52   0.002% *  0.1973% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.00 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 = 0.8, support = 0.736, residual support = 1.42:
          HB    VAL  107 - QE    PHE   59   3.71 +/- 0.41  94.893% * 89.5653% (0.80   0.74   1.42) =  99.875%  kept
          QE    LYS+ 112 - QE    PHE   59   6.92 +/- 0.57   2.968% *  3.0309% (1.00   0.02   0.02) =   0.106%
          HB3   PHE   45 - QE    PHE   59  10.09 +/- 0.38   0.284% *  3.0309% (1.00   0.02   0.02) =   0.010%
          HB3   ASP-  62 - QE    PHE   59   7.45 +/- 0.62   1.833% *  0.4111% (0.14   0.02   6.51) =   0.009%
          HB3   ASP-  86 - QE    PHE   59  17.62 +/- 0.57   0.010% *  1.3619% (0.45   0.02   0.02) =   0.000%
          HG2   GLU-  29 - QE    PHE   59  21.12 +/- 0.90   0.003% *  1.8424% (0.61   0.02   0.02) =   0.000%
          QG    GLN   32 - QE    PHE   59  18.34 +/- 0.69   0.008% *  0.7574% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.66 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 = 4.19, residual support = 13.6:
          HG12  ILE  119 - QE    PHE   59   2.86 +/- 0.59  95.760% * 96.1907% (0.73   4.19  13.60) =  99.971%  kept
          HB2   ASP-  44 - QE    PHE   59   5.73 +/- 0.67   3.539% *  0.6262% (0.99   0.02   0.02) =   0.024%
          HB3   PHE   72 - QE    PHE   59   7.41 +/- 0.90   0.648% *  0.6304% (1.00   0.02   0.02) =   0.004%
          QG    GLN   90 - QE    PHE   59  13.13 +/- 0.72   0.017% *  0.6193% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  15 - QE    PHE   59  14.32 +/- 1.11   0.011% *  0.5976% (0.95   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   59  16.21 +/- 1.55   0.005% *  0.6304% (1.00   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    PHE   59  12.95 +/- 0.51   0.018% *  0.1575% (0.25   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   59  19.08 +/- 0.79   0.002% *  0.2155% (0.34   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   59  22.89 +/- 1.71   0.001% *  0.3324% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.88 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 = 0.638, support = 2.7, residual support = 8.23:
          HG13  ILE  119 - QE    PHE   59   3.55 +/- 0.34  26.482% * 76.5662% (0.73   3.69  13.60) =  55.928%  kept
          QG1   VAL  107 - QE    PHE   59   2.88 +/- 0.53  73.232% * 21.8167% (0.53   1.45   1.42) =  44.068%  kept
          HD3   LYS+ 112 - QE    PHE   59   8.11 +/- 1.16   0.257% *  0.5411% (0.95   0.02   0.02) =   0.004%
          QB    ALA   20 - QE    PHE   59  11.92 +/- 0.52   0.022% *  0.1426% (0.25   0.02   0.02) =   0.000%
          QG1   VAL   24 - QE    PHE   59  15.87 +/- 0.82   0.004% *  0.4962% (0.87   0.02   0.02) =   0.000%
          HB3   LEU   31 - QE    PHE   59  15.87 +/- 0.49   0.004% *  0.4372% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.82 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 = 0.744, support = 1.98, residual support = 12.9:
        T QD2   LEU  115 - QE    PHE   59   3.24 +/- 0.67  10.870% * 91.2943% (0.87   2.92  19.98) =  63.947%  kept
        T QD1   LEU   63 - QE    PHE   59   2.12 +/- 0.15  89.082% *  6.2804% (0.53   0.33   0.43) =  36.051%  kept
        T QD1   LEU  104 - QE    PHE   59   9.05 +/- 0.39   0.017% *  0.7202% (1.00   0.02   0.02) =   0.001%
        T QD1   LEU   73 - QE    PHE   59  10.13 +/- 0.58   0.009% *  0.3798% (0.53   0.02   0.02) =   0.000%
          QG2   ILE   89 - QE    PHE   59   8.73 +/- 0.22   0.020% *  0.1264% (0.18   0.02   0.02) =   0.000%
          QD2   LEU   80 - QE    PHE   59  13.39 +/- 0.62   0.002% *  0.6473% (0.90   0.02   0.02) =   0.000%
          QG1   VAL   83 - QE    PHE   59  14.44 +/- 0.75   0.001% *  0.5516% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.68 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 = 2.89, residual support = 19.3:
          QD1   LEU  115 - QE    PHE   59   4.43 +/- 0.36  88.643% * 77.2592% (0.45   2.96  19.98) =  96.668%  kept
          QB    ALA   64 - QE    PHE   59   6.45 +/- 0.38  10.518% * 22.4167% (0.45   0.86   0.02) =   3.328%  kept
          QG1   VAL   75 - QE    PHE   59  10.35 +/- 0.88   0.838% *  0.3241% (0.28   0.02   0.02) =   0.004%
    Distance limit 4.23 A violated in 5 structures by 0.18 A, kept.
 
    Peak 167 (0.24, 7.26, 128.86 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 2.3, residual support = 5.94:
          QG2   THR  118 - QE    PHE   59   1.83 +/- 0.06 100.000% *100.0000% (0.80   2.30   5.94) = 100.000%  kept
    Distance limit 4.12 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 = 1.11, residual support = 69.2:
      O   QD    PHE   60 - QE    PHE   60   2.23 +/- 0.00  97.663% * 96.8188% (0.99   1.11  69.18) =  99.988%  kept
          QE    PHE   59 - QE    PHE   60   4.96 +/- 0.97   2.299% *  0.4896% (0.28   0.02  16.51) =   0.012%
          HN    LYS+  66 - QE    PHE   60   8.40 +/- 0.41   0.037% *  1.3458% (0.76   0.02   0.02) =   0.001%
          HN    LYS+  81 - QE    PHE   60  14.83 +/- 0.32   0.001% *  1.3458% (0.76   0.02   0.02) =   0.000%
    Distance limit 3.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 169 (2.26, 7.63, 131.92 ppm):
    10 chemical-shift based assignments, quality = 0.853, support = 2.61, residual support = 8.31:
          HB3   PHE   72 - QE    PHE   60   2.67 +/- 0.80  58.741% * 78.9012% (0.87   2.91   9.59) =  86.251%  kept
          HB2   ASP-  44 - QE    PHE   60   2.82 +/- 0.51  41.184% * 17.9383% (0.76   0.75   0.34) =  13.748%  kept
          HG12  ILE  119 - QE    PHE   60   9.72 +/- 0.76   0.024% *  0.6135% (0.98   0.02   0.02) =   0.000%
          QG    GLU-  15 - QE    PHE   60  10.07 +/- 0.90   0.017% *  0.4049% (0.65   0.02   0.02) =   0.000%
          QG    GLU-  14 - QE    PHE   60  11.01 +/- 1.73   0.013% *  0.5012% (0.80   0.02   0.02) =   0.000%
          QG    GLN   90 - QE    PHE   60  12.91 +/- 0.73   0.004% *  0.5778% (0.92   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    PHE   60  11.26 +/- 1.11   0.010% *  0.1394% (0.22   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QE    PHE   60  13.47 +/- 0.57   0.003% *  0.4300% (0.69   0.02   0.02) =   0.000%
          HG3   MET   92 - QE    PHE   60  14.39 +/- 0.75   0.002% *  0.3544% (0.57   0.02   0.02) =   0.000%
          QB    MET   11 - QE    PHE   60  17.92 +/- 1.84   0.001% *  0.1394% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.44 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 = 0.972, support = 1.92, residual support = 6.42:
          HB    VAL   42 - QE    PHE   60   3.77 +/- 1.18  44.006% * 59.2374% (1.00   2.00   6.82) =  93.704%  kept
          HB3   LYS+  74 - QE    PHE   60   3.52 +/- 0.96  52.549% *  1.7540% (0.25   0.24   0.02) =   3.313%  kept
          HB3   LEU   73 - QE    PHE   60   6.03 +/- 0.33   2.366% * 34.9150% (0.98   1.20   0.90) =   2.970%  kept
          HG3   LYS+  65 - QE    PHE   60   8.86 +/- 0.52   0.271% *  0.5924% (1.00   0.02   0.02) =   0.006%
          HB3   PRO   93 - QE    PHE   60   8.87 +/- 0.57   0.292% *  0.1651% (0.28   0.02   0.02) =   0.002%
          QB    LEU   98 - QE    PHE   60   9.89 +/- 0.84   0.144% *  0.2890% (0.49   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QE    PHE   60  12.08 +/- 1.39   0.053% *  0.4959% (0.84   0.02   0.02) =   0.001%
        T QB    ALA   84 - QE    PHE   60  10.15 +/- 0.33   0.117% *  0.1480% (0.25   0.02   0.02) =   0.001%
          HG3   LYS+  33 - QE    PHE   60  12.75 +/- 0.50   0.025% *  0.5924% (1.00   0.02   0.02) =   0.001%
          HG    LEU   98 - QE    PHE   60  10.28 +/- 1.05   0.118% *  0.1040% (0.18   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    PHE   60  14.71 +/- 1.72   0.025% *  0.4537% (0.76   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - QE    PHE   60  15.08 +/- 0.47   0.012% *  0.5480% (0.92   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QE    PHE   60  17.36 +/- 1.27   0.005% *  0.5730% (0.97   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QE    PHE   60  14.35 +/- 1.30   0.016% *  0.1322% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.46 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 = 0.55, support = 0.02, residual support = 0.02:
        T QD1   ILE   56 - QE    PHE   60   8.96 +/- 0.33  80.548% * 10.7137% (0.20   0.02   0.02) =  48.437%  kept
          QD2   LEU  123 - QE    PHE   60  12.02 +/- 0.64  14.437% * 49.9748% (0.92   0.02   0.02) =  40.495%  kept
          HG3   LYS+ 121 - QE    PHE   60  14.40 +/- 1.16   5.016% * 39.3116% (0.73   0.02   0.02) =  11.068%  kept
    Distance limit 4.66 A violated in 20 structures by 3.98 A, eliminated.
    Peak unassigned.
 
    Peak 172 (0.39, 7.63, 131.92 ppm):
    3 chemical-shift based assignments, quality = 0.508, support = 1.75, residual support = 5.17:
          QG1   VAL   42 - QE    PHE   60   2.82 +/- 1.22  75.169% * 39.0179% (0.34   2.00   6.82) =  66.194%  kept
          QB    ALA   64 - QE    PHE   60   3.69 +/- 0.45  24.770% * 60.4693% (0.84   1.27   1.93) =  33.805%  kept
          QB    ALA   47 - QE    PHE   60  10.12 +/- 0.43   0.061% *  0.5128% (0.45   0.02   0.02) =   0.001%
    Distance limit 4.28 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 = 0.806, support = 1.53, residual support = 5.81:
          HB3   PHE   72 - QD    PHE   60   4.26 +/- 0.67  22.974% * 79.7912% (0.76   2.30   9.59) =  59.192%  kept
          HB2   ASP-  44 - QD    PHE   60   3.30 +/- 0.37  76.446% * 16.5287% (0.87   0.42   0.34) =  40.801%  kept
          HG12  ILE  119 - QD    PHE   60   7.94 +/- 0.67   0.435% *  0.3095% (0.34   0.02   0.02) =   0.004%
          QG    GLU-  15 - QD    PHE   60  11.25 +/- 0.78   0.054% *  0.8582% (0.95   0.02   0.02) =   0.001%
          QG    GLU-  14 - QD    PHE   60  12.15 +/- 1.47   0.043% *  0.7578% (0.84   0.02   0.02) =   0.001%
          QG    GLN   90 - QD    PHE   60  13.25 +/- 0.49   0.020% *  0.6232% (0.69   0.02   0.02) =   0.000%
          HG2   MET   92 - QD    PHE   60  12.73 +/- 0.60   0.025% *  0.1589% (0.18   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   60  19.14 +/- 1.65   0.002% *  0.8137% (0.90   0.02   0.02) =   0.000%
          HG3   GLU-  36 - QD    PHE   60  19.89 +/- 1.03   0.002% *  0.1589% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.50 A violated in 0 structures by 0.00 A, kept.
 
    Peak 174 (6.98, 6.69, 132.41 ppm):
    3 chemical-shift based assignments, quality = 0.867, support = 2.87, residual support = 83.9:
      O   QE    PHE   72 - QD    PHE   72   2.23 +/- 0.00  99.997% * 99.2843% (0.87   2.87  83.88) = 100.000%  kept
          HN    ALA   47 - QD    PHE   72  13.64 +/- 0.36   0.002% *  0.1991% (0.25   0.02   0.02) =   0.000%
          HD22  ASN   28 - QD    PHE   72  16.77 +/- 0.60   0.001% *  0.5166% (0.65   0.02   0.02) =   0.000%
    Distance limit 3.06 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 = 2.94, residual support = 9.59:
          QD    PHE   60 - QD    PHE   72   2.84 +/- 0.50  98.400% * 98.4952% (0.76   2.94   9.59) =  99.996%  kept
          HN    LYS+  66 - QD    PHE   72   6.46 +/- 0.32   1.484% *  0.2438% (0.28   0.02   0.02) =   0.004%
          HE3   TRP   27 - QD    PHE   72   9.51 +/- 0.30   0.104% *  0.2186% (0.25   0.02   0.02) =   0.000%
          HN    LYS+  81 - QD    PHE   72  18.10 +/- 0.29   0.002% *  0.8690% (0.99   0.02   0.02) =   0.000%
          QD    PHE   55 - QD    PHE   72  14.00 +/- 0.48   0.010% *  0.1735% (0.20   0.02   0.02) =   0.000%
    Distance limit 3.82 A violated in 1 structures by 0.02 A, kept.
 
    Peak 176 (7.60, 6.69, 132.41 ppm):
    7 chemical-shift based assignments, quality = 0.197, support = 2.25, residual support = 9.92:
          QE    PHE   60 - QD    PHE   72   2.36 +/- 0.68  96.972% * 42.7917% (0.18   2.31   9.59) =  96.449%  kept
          HN    LEU   63 - QD    PHE   72   5.57 +/- 0.33   2.994% * 51.0173% (0.80   0.60  19.00) =   3.550%  kept
          HN    ILE   56 - QD    PHE   72  12.52 +/- 0.40   0.012% *  1.4528% (0.69   0.02   0.02) =   0.000%
          HZ2   TRP   87 - QD    PHE   72  12.20 +/- 0.63   0.011% *  1.5358% (0.73   0.02   0.02) =   0.000%
          HN    LYS+ 111 - QD    PHE   72  14.03 +/- 0.44   0.007% *  0.6528% (0.31   0.02   0.02) =   0.000%
          HD21  ASN   28 - QD    PHE   72  16.87 +/- 0.49   0.002% *  1.8968% (0.90   0.02   0.02) =   0.000%
          HN    ALA   84 - QD    PHE   72  15.66 +/- 0.31   0.003% *  0.6528% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 5.48, residual support = 83.9:
          HN    PHE   72 - QD    PHE   72   2.50 +/- 0.31  99.982% * 99.8189% (0.98   5.48  83.88) = 100.000%  kept
          HN    LEU  104 - QD    PHE   72  10.99 +/- 0.33   0.018% *  0.1811% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.96 A violated in 0 structures by 0.00 A, kept.
 
    Peak 178 (6.70, 6.99, 130.46 ppm):
    3 chemical-shift based assignments, quality = 0.711, support = 2.3, residual support = 83.9:
      O T QD    PHE   72 - QE    PHE   72   2.23 +/- 0.00  46.806% * 71.7850% (0.69   2.87  83.88) =  69.394%  kept
      O T HZ    PHE   72 - QE    PHE   72   2.18 +/- 0.00  53.191% * 27.8601% (0.76   1.00  83.88) =  30.606%  kept
          QE    PHE   45 - QE    PHE   72  10.83 +/- 0.38   0.004% *  0.3549% (0.49   0.02   0.02) =   0.000%
    Distance limit 2.67 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 = 0.737, support = 0.914, residual support = 9.05:
          QD    PHE   60 - QE    PHE   72   3.66 +/- 0.75  85.797% * 71.3209% (0.76   0.91   9.59) =  94.416%  kept
          HN    LYS+  66 - QE    PHE   72   5.25 +/- 0.48  14.055% * 25.7439% (0.28   0.91   0.02) =   5.583%  kept
          HE3   TRP   27 - QE    PHE   72  11.38 +/- 0.35   0.111% *  0.5088% (0.25   0.02   0.02) =   0.001%
          QD    PHE   55 - QE    PHE   72  13.70 +/- 0.68   0.034% *  0.4038% (0.20   0.02   0.02) =   0.000%
          HN    LYS+  81 - QE    PHE   72  19.81 +/- 0.43   0.004% *  2.0225% (0.99   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.02 A, kept.
 
    Peak 180 (6.99, 6.71, 127.90 ppm):
    3 chemical-shift based assignments, quality = 0.998, support = 1.0, residual support = 83.9:
      O   QE    PHE   72 - HZ    PHE   72   2.18 +/- 0.00 100.000% * 98.2767% (1.00   1.00  83.88) = 100.000%  kept
          HN    ALA   47 - HZ    PHE   72  17.93 +/- 0.66   0.000% *  1.1153% (0.57   0.02   0.02) =   0.000%
          HD22  ASN   28 - HZ    PHE   72  21.58 +/- 0.75   0.000% *  0.6080% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.00 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 = 83.9:
          HA    PHE   72 - QD    PHE   72   2.89 +/- 0.35  99.893% * 99.8301% (0.90   4.47  83.88) = 100.000%  kept
          HA    MET   96 - QD    PHE   72   9.48 +/- 0.43   0.107% *  0.1699% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.41 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 = 0.326, support = 0.0196, residual support = 0.0196:
          HA    PHE   45 - QD    PHE   72   9.88 +/- 0.35  86.216% *  9.9133% (0.22   0.02   0.02) =  74.138%  kept
          HA    THR   23 - QD    PHE   72  15.99 +/- 0.23   4.871% * 28.8048% (0.65   0.02   0.02) =  12.170%  kept
          HA    ASP-  78 - QD    PHE   72  18.26 +/- 0.25   2.180% * 41.1037% (0.92   0.02   0.02) =   7.773%  kept
          HA    LEU   80 - QD    PHE   72  17.04 +/- 0.57   3.434% * 12.3802% (0.28   0.02   0.02) =   3.688%  kept
          HB    THR   23 - QD    PHE   72  17.06 +/- 0.26   3.299% *  7.7981% (0.18   0.02   0.02) =   2.232%
    Distance limit 4.39 A violated in 20 structures by 5.30 A, eliminated.
    Peak unassigned.
 
    Peak 183 (2.85, 6.69, 132.41 ppm):
    4 chemical-shift based assignments, quality = 0.61, support = 3.28, residual support = 59.1:
        T HA    ALA   64 - QD    PHE   72   3.14 +/- 0.30  26.123% * 78.4532% (0.92   2.96  40.22) =  56.808%  kept
      O T HB2   PHE   72 - QD    PHE   72   2.60 +/- 0.16  73.845% * 21.1009% (0.20   3.71  83.88) =  43.192%  kept
          QE    LYS+  66 - QD    PHE   72   9.72 +/- 0.42   0.029% *  0.1434% (0.25   0.02   0.02) =   0.000%
          HB3   ASN   35 - QD    PHE   72  14.03 +/- 0.49   0.003% *  0.3025% (0.53   0.02   0.02) =   0.000%
    Distance limit 3.39 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 = 4.61, residual support = 83.9:
      O T HB3   PHE   72 - QD    PHE   72   2.38 +/- 0.13  98.868% * 97.4954% (0.98   4.61  83.88) =  99.995%  kept
          HB2   ASP-  44 - QD    PHE   72   5.45 +/- 0.60   0.859% *  0.3982% (0.92   0.02   0.02) =   0.004%
          QG    GLU-  15 - QD    PHE   72   7.32 +/- 1.11   0.184% *  0.3603% (0.84   0.02   0.02) =   0.001%
          QG    GLU-  14 - QD    PHE   72  10.01 +/- 1.50   0.052% *  0.4080% (0.95   0.02   0.02) =   0.000%
          HG12  ILE  119 - QD    PHE   72   9.37 +/- 0.71   0.031% *  0.3741% (0.87   0.02   0.02) =   0.000%
          HB2   GLU-  29 - QD    PHE   72  13.74 +/- 0.46   0.003% *  0.2099% (0.49   0.02   0.02) =   0.000%
          QG    GLN   90 - QD    PHE   72  15.56 +/- 0.52   0.001% *  0.4304% (1.00   0.02   0.02) =   0.000%
          QB    MET   11 - QD    PHE   72  16.41 +/- 1.59   0.001% *  0.1619% (0.38   0.02   0.02) =   0.000%
          HG3   MET   92 - QD    PHE   72  17.42 +/- 0.62   0.001% *  0.1619% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.58 A violated in 0 structures by 0.00 A, kept.
 
    Peak 185 (1.39, 6.69, 132.41 ppm):
    12 chemical-shift based assignments, quality = 0.798, support = 0.999, residual support = 6.93:
        T HB    VAL   42 - QD    PHE   72   2.99 +/- 0.54  97.847% * 16.5849% (0.80   0.87   6.07) =  96.609%  kept
          HB3   LEU   73 - QD    PHE   72   7.27 +/- 0.16   0.704% * 80.2136% (0.73   4.65  31.68) =   3.362%  kept
          HG3   LYS+  65 - QD    PHE   72   7.87 +/- 0.51   0.506% *  0.3802% (0.80   0.02   0.02) =   0.011%
          HB3   LYS+  74 - QD    PHE   72   7.59 +/- 0.52   0.577% *  0.2688% (0.57   0.02   0.02) =   0.009%
          QB    LEU   98 - QD    PHE   72   9.16 +/- 0.37   0.173% *  0.3966% (0.84   0.02   0.02) =   0.004%
          HG3   LYS+  33 - QD    PHE   72  10.32 +/- 0.94   0.100% *  0.4119% (0.87   0.02   0.02) =   0.002%
          QB    ALA   12 - QD    PHE   72  13.56 +/- 1.13   0.027% *  0.4706% (0.99   0.02   0.02) =   0.001%
          HG3   LYS+ 106 - QD    PHE   72  12.40 +/- 0.66   0.028% *  0.2311% (0.49   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - QD    PHE   72  13.19 +/- 0.88   0.018% *  0.2498% (0.53   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD    PHE   72  16.11 +/- 0.86   0.006% *  0.3262% (0.69   0.02   0.02) =   0.000%
        T HB2   LYS+ 112 - QD    PHE   72  16.14 +/- 0.41   0.006% *  0.2880% (0.61   0.02   0.02) =   0.000%
          HB2   LEU   80 - QD    PHE   72  15.44 +/- 0.81   0.009% *  0.1782% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.95 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 = 34.8:
        T QD1   LEU   67 - QD    PHE   72   3.69 +/- 0.89  86.715% * 91.4314% (0.41   1.50  34.92) =  99.785%  kept
          QD2   LEU   40 - QD    PHE   72   6.13 +/- 0.57   8.582% *  1.3295% (0.45   0.02   0.02) =   0.144%
        T QD1   ILE  119 - QD    PHE   72   7.47 +/- 0.34   1.987% *  1.5601% (0.53   0.02   0.02) =   0.039%
          HG3   LYS+  74 - QD    PHE   72   8.08 +/- 0.98   1.713% *  0.6602% (0.22   0.02   0.02) =   0.014%
          HB    VAL   75 - QD    PHE   72  10.16 +/- 0.44   0.332% *  2.9066% (0.98   0.02   0.02) =   0.012%
          HB2   LEU  104 - QD    PHE   72  10.20 +/- 0.43   0.337% *  0.7394% (0.25   0.02   0.02) =   0.003%
          QG2   ILE  103 - QD    PHE   72  10.83 +/- 0.34   0.236% *  0.9152% (0.31   0.02   0.02) =   0.003%
          QG2   VAL  108 - QD    PHE   72  12.42 +/- 0.73   0.099% *  0.4575% (0.15   0.02   0.02) =   0.001%
    Distance limit 4.38 A violated in 0 structures by 0.02 A, kept.
 
    Peak 187 (0.79, 6.69, 132.41 ppm):
    6 chemical-shift based assignments, quality = 0.946, support = 5.29, residual support = 31.7:
          QD2   LEU   73 - QD    PHE   72   4.42 +/- 0.19  80.287% * 98.8992% (0.95   5.29  31.68) =  99.975%  kept
          QG1   VAL   41 - QD    PHE   72   6.45 +/- 0.45   8.891% *  0.1099% (0.28   0.02   0.02) =   0.012%
          QG1   VAL   43 - QD    PHE   72   6.33 +/- 0.32   9.644% *  0.0610% (0.15   0.02   0.02) =   0.007%
          QD1   ILE   56 - QD    PHE   72  10.00 +/- 0.32   0.637% *  0.3918% (0.99   0.02   0.02) =   0.003%
          HG    LEU   31 - QD    PHE   72  11.08 +/- 1.08   0.428% *  0.3302% (0.84   0.02   0.02) =   0.002%
          HG3   LYS+ 121 - QD    PHE   72  13.32 +/- 0.57   0.113% *  0.2080% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.08 A, kept.
 
    Peak 188 (0.41, 6.69, 132.41 ppm):
    2 chemical-shift based assignments, quality = 0.801, support = 4.86, residual support = 40.2:
        T QB    ALA   64 - QD    PHE   72   2.48 +/- 0.48  99.940% * 99.9102% (0.80   4.86  40.22) = 100.000%  kept
          QD1   LEU  115 - QD    PHE   72   9.53 +/- 0.46   0.060% *  0.0898% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.78 A violated in 0 structures by 0.00 A, kept.
 
    Peak 189 (0.20, 6.69, 132.41 ppm):
    1 chemical-shift based assignment, quality = 0.647, support = 3.86, residual support = 40.0:
        T QG2   VAL   70 - QD    PHE   72   3.03 +/- 0.52 100.000% *100.0000% (0.65   3.86  40.04) = 100.000%  kept
    Distance limit 4.17 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 = 40.2:
        T HA    ALA   64 - QE    PHE   72   2.89 +/- 0.36  99.761% * 97.7042% (0.38   4.06  40.22) =  99.997%  kept
          QE    LYS+  66 - QE    PHE   72   8.18 +/- 0.52   0.232% *  1.0259% (0.80   0.02   0.02) =   0.002%
          HB3   ASN   35 - QE    PHE   72  14.97 +/- 0.53   0.007% *  1.2699% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.64 A violated in 0 structures by 0.00 A, kept.
 
    Peak 191 (2.21, 6.99, 130.46 ppm):
    8 chemical-shift based assignments, quality = 0.991, support = 3.9, residual support = 40.0:
        T HB    VAL   70 - QE    PHE   72   2.21 +/- 0.63  99.695% * 98.1262% (0.99   3.90  40.04) =  99.999%  kept
        T QG    GLN   17 - QE    PHE   72   8.07 +/- 0.48   0.191% *  0.4901% (0.97   0.02   0.02) =   0.001%
          HB2   MET   96 - QE    PHE   72   9.19 +/- 0.52   0.049% *  0.4242% (0.84   0.02   0.02) =   0.000%
          HB2   ASP- 105 - QE    PHE   72   9.83 +/- 0.70   0.038% *  0.0784% (0.15   0.02   0.02) =   0.000%
          HG2   GLU- 100 - QE    PHE   72  12.24 +/- 0.77   0.013% *  0.1906% (0.38   0.02   0.02) =   0.000%
          HB2   LYS+  38 - QE    PHE   72  13.15 +/- 0.63   0.011% *  0.0784% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  25 - QE    PHE   72  19.31 +/- 0.41   0.001% *  0.4555% (0.90   0.02   0.02) =   0.000%
          HB3   ASP-  76 - QE    PHE   72  16.13 +/- 0.72   0.002% *  0.1567% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 0 structures by 0.03 A, kept.
 
    Peak 192 (1.99, 6.99, 130.46 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 2.96, residual support = 34.9:
        T HB2   LEU   67 - QE    PHE   72   2.67 +/- 0.44  97.562% * 93.3029% (0.45   2.96  34.92) =  99.985%  kept
          HG2   PRO   68 - QE    PHE   72   7.43 +/- 0.94   0.632% *  1.1271% (0.80   0.02   0.02) =   0.008%
          HB    VAL   18 - QE    PHE   72   7.14 +/- 1.41   1.204% *  0.3134% (0.22   0.02   3.23) =   0.004%
          HB    ILE   19 - QE    PHE   72   8.50 +/- 0.33   0.154% *  1.0221% (0.73   0.02   0.02) =   0.002%
          QB    GLU-  15 - QE    PHE   72   8.43 +/- 1.27   0.255% *  0.2465% (0.18   0.02   0.02) =   0.001%
          HB2   LEU  115 - QE    PHE   72  11.03 +/- 0.64   0.029% *  1.1757% (0.84   0.02   0.02) =   0.000%
          HB2   GLN   17 - QE    PHE   72   8.79 +/- 0.48   0.132% *  0.2465% (0.18   0.02   0.02) =   0.000%
          HG3   PRO   58 - QE    PHE   72  12.13 +/- 0.56   0.016% *  1.2209% (0.87   0.02   0.02) =   0.000%
          QB    GLU- 114 - QE    PHE   72  12.07 +/- 0.50   0.016% *  0.9105% (0.65   0.02   0.02) =   0.000%
          HB3   GLU-  25 - QE    PHE   72  19.61 +/- 0.35   0.001% *  0.4344% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.59 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 = 34.9:
          HB3   LEU   67 - QE    PHE   72   2.39 +/- 0.53  98.843% * 88.9298% (0.38   2.96  34.92) =  99.991%  kept
          QB    ALA   61 - QE    PHE   72   6.92 +/- 0.62   0.486% *  0.8432% (0.53   0.02   0.02) =   0.005%
          QG    LYS+  66 - QE    PHE   72   6.61 +/- 0.43   0.476% *  0.3568% (0.22   0.02   0.02) =   0.002%
          QB    LEU   98 - QE    PHE   72   9.27 +/- 0.48   0.068% *  1.0367% (0.65   0.02   0.02) =   0.001%
          HB3   LYS+  74 - QE    PHE   72   9.70 +/- 0.51   0.048% *  1.4372% (0.90   0.02   0.02) =   0.001%
          HG12  ILE   19 - QE    PHE   72   9.78 +/- 0.50   0.041% *  1.3386% (0.84   0.02   0.02) =   0.001%
          HD3   LYS+ 121 - QE    PHE   72  11.39 +/- 1.04   0.019% *  1.4794% (0.92   0.02   0.02) =   0.000%
          QB    ALA  110 - QE    PHE   72  12.08 +/- 0.58   0.012% *  1.2247% (0.76   0.02   0.02) =   0.000%
          HG    LEU   80 - QE    PHE   72  16.25 +/- 0.89   0.002% *  1.1637% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   80 - QE    PHE   72  17.20 +/- 0.88   0.002% *  1.5884% (0.99   0.02   0.02) =   0.000%
          QB    ALA   12 - QE    PHE   72  14.70 +/- 1.08   0.003% *  0.6015% (0.38   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 34.9:
        T QD1   LEU   67 - QE    PHE   72   2.45 +/- 0.33  98.131% * 96.6044% (0.41   4.00  34.92) =  99.989%  kept
          QD2   LEU   40 - QE    PHE   72   5.48 +/- 0.62   1.236% *  0.5268% (0.45   0.02   0.02) =   0.007%
        T QD1   ILE  119 - QE    PHE   72   6.21 +/- 0.44   0.501% *  0.6183% (0.53   0.02   0.02) =   0.003%
          HB2   LEU  104 - QE    PHE   72   9.04 +/- 0.62   0.054% *  0.2930% (0.25   0.02   0.02) =   0.000%
          HB    VAL   75 - QE    PHE   72  11.91 +/- 0.48   0.010% *  1.1519% (0.98   0.02   0.02) =   0.000%
          HG3   LYS+  74 - QE    PHE   72  10.04 +/- 0.98   0.035% *  0.2616% (0.22   0.02   0.02) =   0.000%
          QG2   ILE  103 - QE    PHE   72  10.36 +/- 0.53   0.024% *  0.3627% (0.31   0.02   0.02) =   0.000%
          QG2   VAL  108 - QE    PHE   72  12.30 +/- 0.65   0.009% *  0.1813% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.55 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 = 0.7, support = 4.39, residual support = 20.0:
          HB3   LEU   63 - QE    PHE   72   2.08 +/- 0.56  81.455% * 77.9247% (0.73   4.36  19.00) =  95.347%  kept
          QG1   VAL   70 - QE    PHE   72   3.15 +/- 0.62  14.504% * 21.3135% (0.18   4.95  40.04) =   4.644%  kept
          QD1   LEU   40 - QE    PHE   72   3.84 +/- 0.57   3.894% *  0.1518% (0.31   0.02   0.02) =   0.009%
          QG1   VAL   18 - QE    PHE   72   6.48 +/- 0.67   0.146% *  0.1226% (0.25   0.02   3.23) =   0.000%
          QG1   VAL  108 - QE    PHE   72  13.22 +/- 0.61   0.002% *  0.4874% (0.99   0.02   0.02) =   0.000%
    Distance limit 3.71 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 = 0.891, support = 3.65, residual support = 19.0:
          QD1   LEU   63 - QE    PHE   72   3.08 +/- 0.51  64.532% * 53.9149% (0.98   3.44  19.00) =  69.679%  kept
          QD2   LEU   63 - QE    PHE   72   3.58 +/- 0.56  33.548% * 45.1212% (0.69   4.11  19.00) =  30.316%  kept
          QD1   LEU   73 - QE    PHE   72   8.00 +/- 0.15   0.227% *  0.3132% (0.98   0.02  31.68) =   0.001%
          QD2   LEU  115 - QE    PHE   72   7.94 +/- 0.69   0.269% *  0.2320% (0.73   0.02   0.02) =   0.001%
          QG2   VAL   41 - QE    PHE   72   6.33 +/- 0.44   1.071% *  0.0560% (0.18   0.02   0.02) =   0.001%
          QD1   LEU  104 - QE    PHE   72   7.68 +/- 0.64   0.342% *  0.1433% (0.45   0.02   0.02) =   0.001%
          QD2   LEU   80 - QE    PHE   72  13.42 +/- 0.57   0.011% *  0.2195% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.09 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 = 0.676, support = 4.06, residual support = 38.3:
          QB    ALA   64 - QE    PHE   72   3.36 +/- 0.54  40.049% * 95.6919% (0.69   4.29  40.22) =  94.410%  kept
          QG1   VAL   42 - QE    PHE   72   3.02 +/- 0.67  59.940% *  3.7856% (0.49   0.24   6.07) =   5.590%  kept
          QB    ALA   47 - QE    PHE   72  14.35 +/- 0.47   0.005% *  0.3940% (0.61   0.02   0.02) =   0.000%
          HG2   LYS+ 112 - QE    PHE   72  13.40 +/- 0.80   0.007% *  0.1285% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 40.0:
        T QG2   VAL   70 - QE    PHE   72   2.37 +/- 0.60 100.000% *100.0000% (0.90   4.44  40.04) = 100.000%  kept
    Distance limit 3.68 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 = 2.82, residual support = 40.2:
        T HA    ALA   64 - HZ    PHE   72   3.40 +/- 0.47  99.415% * 98.5316% (0.65   2.82  40.22) =  99.997%  kept
          QE    LYS+  66 - HZ    PHE   72   8.41 +/- 0.66   0.578% *  0.5675% (0.53   0.02   0.02) =   0.003%
          HB3   ASN   35 - HZ    PHE   72  17.69 +/- 0.63   0.007% *  0.9009% (0.84   0.02   0.02) =   0.000%
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 201 (2.20, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.923, support = 3.3, residual support = 40.0:
        T HB    VAL   70 - HZ    PHE   72   3.48 +/- 0.64  99.442% * 98.0558% (0.92   3.30  40.04) =  99.997%  kept
        T QG    GLN   17 - HZ    PHE   72   9.84 +/- 0.60   0.320% *  0.6216% (0.97   0.02   0.02) =   0.002%
        T HB2   MET   96 - HZ    PHE   72  10.86 +/- 0.68   0.178% *  0.3389% (0.53   0.02   0.02) =   0.001%
          HB2   LYS+  38 - HZ    PHE   72  15.39 +/- 0.83   0.022% *  0.2417% (0.38   0.02   0.02) =   0.000%
          HG2   GLU- 100 - HZ    PHE   72  14.03 +/- 0.87   0.037% *  0.0994% (0.15   0.02   0.02) =   0.000%
          HB2   GLU-  25 - HZ    PHE   72  22.75 +/- 0.45   0.002% *  0.6427% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 A violated in 0 structures by 0.01 A, kept.
 
    Peak 202 (1.99, 6.71, 127.90 ppm):
    10 chemical-shift based assignments, quality = 0.448, support = 2.96, residual support = 34.9:
        T HB2   LEU   67 - HZ    PHE   72   2.65 +/- 0.60  97.330% * 93.3029% (0.45   2.96  34.92) =  99.972%  kept
          HG2   PRO   68 - HZ    PHE   72   8.05 +/- 1.46   2.033% *  1.1271% (0.80   0.02   0.02) =   0.025%
          HB    VAL   18 - HZ    PHE   72   9.03 +/- 1.51   0.432% *  0.3134% (0.22   0.02   3.23) =   0.001%
          HB    ILE   19 - HZ    PHE   72  10.57 +/- 0.34   0.053% *  1.0221% (0.73   0.02   0.02) =   0.001%
          QB    GLU-  15 - HZ    PHE   72  10.54 +/- 1.16   0.065% *  0.2465% (0.18   0.02   0.02) =   0.000%
          HB2   LEU  115 - HZ    PHE   72  12.85 +/- 0.93   0.013% *  1.1757% (0.84   0.02   0.02) =   0.000%
          HB2   GLN   17 - HZ    PHE   72  10.71 +/- 0.61   0.057% *  0.2465% (0.18   0.02   0.02) =   0.000%
          QB    GLU- 114 - HZ    PHE   72  13.62 +/- 0.76   0.009% *  0.9105% (0.65   0.02   0.02) =   0.000%
          HG3   PRO   58 - HZ    PHE   72  14.33 +/- 0.54   0.007% *  1.2209% (0.87   0.02   0.02) =   0.000%
          HB3   GLU-  25 - HZ    PHE   72  23.08 +/- 0.39   0.000% *  0.4344% (0.31   0.02   0.02) =   0.000%
    Distance limit 4.13 A violated in 0 structures by 0.01 A, kept.
 
    Peak 203 (1.41, 6.71, 127.90 ppm):
    11 chemical-shift based assignments, quality = 0.375, support = 2.96, residual support = 34.9:
          HB3   LEU   67 - HZ    PHE   72   3.01 +/- 0.69  97.818% * 88.9298% (0.38   2.96  34.92) =  99.986%  kept
          QG    LYS+  66 - HZ    PHE   72   6.89 +/- 0.46   1.475% *  0.3568% (0.22   0.02   0.02) =   0.006%
          QB    ALA   61 - HZ    PHE   72   8.57 +/- 0.47   0.398% *  0.8432% (0.53   0.02   0.02) =   0.004%
          HD3   LYS+ 121 - HZ    PHE   72  11.92 +/- 1.38   0.088% *  1.4794% (0.92   0.02   0.02) =   0.001%
          QB    LEU   98 - HZ    PHE   72  10.70 +/- 0.52   0.100% *  1.0367% (0.65   0.02   0.02) =   0.001%
          HB3   LYS+  74 - HZ    PHE   72  12.00 +/- 0.55   0.052% *  1.4372% (0.90   0.02   0.02) =   0.001%
          HG12  ILE   19 - HZ    PHE   72  12.09 +/- 0.51   0.040% *  1.3386% (0.84   0.02   0.02) =   0.001%
          QB    ALA  110 - HZ    PHE   72  14.26 +/- 0.70   0.020% *  1.2247% (0.76   0.02   0.02) =   0.000%
          HG    LEU   80 - HZ    PHE   72  19.24 +/- 1.04   0.003% *  1.1637% (0.73   0.02   0.02) =   0.000%
          HB2   LEU   80 - HZ    PHE   72  20.25 +/- 1.05   0.002% *  1.5884% (0.99   0.02   0.02) =   0.000%
          QB    ALA   12 - HZ    PHE   72  17.32 +/- 1.24   0.004% *  0.6015% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.03 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 = 34.9:
        T QD1   LEU   67 - HZ    PHE   72   2.42 +/- 0.77  98.385% * 96.6023% (0.41   4.00  34.92) =  99.991%  kept
          QD2   LEU   40 - HZ    PHE   72   6.22 +/- 0.62   1.022% *  0.5272% (0.45   0.02   0.02) =   0.006%
        T QD1   ILE  119 - HZ    PHE   72   7.20 +/- 0.63   0.478% *  0.6186% (0.53   0.02   0.02) =   0.003%
          HB2   LEU  104 - HZ    PHE   72   9.74 +/- 0.81   0.061% *  0.2932% (0.25   0.02   0.02) =   0.000%
        T HB    VAL   75 - HZ    PHE   72  14.36 +/- 0.60   0.007% *  1.1525% (0.98   0.02   0.02) =   0.000%
          QG2   ILE  103 - HZ    PHE   72  11.55 +/- 0.70   0.021% *  0.3629% (0.31   0.02   0.02) =   0.000%
          HG3   LYS+  74 - HZ    PHE   72  12.47 +/- 1.04   0.020% *  0.2618% (0.22   0.02   0.02) =   0.000%
          QG2   VAL  108 - HZ    PHE   72  14.13 +/- 0.75   0.007% *  0.1814% (0.15   0.02   0.02) =   0.000%
    Distance limit 3.30 A violated in 2 structures by 0.07 A, kept.
 
    Peak 205 (0.88, 6.71, 127.90 ppm):
    6 chemical-shift based assignments, quality = 0.883, support = 3.13, residual support = 21.3:
        T HB3   LEU   63 - HZ    PHE   72   2.99 +/- 0.76  65.747% * 79.7379% (0.95   3.27  19.00) =  89.025%  kept
        T QG1   VAL   70 - HZ    PHE   72   3.69 +/- 0.87  33.346% * 19.3772% (0.38   2.00  40.04) =  10.972%  kept
          QG1   VAL   18 - HZ    PHE   72   8.21 +/- 0.75   0.263% *  0.2507% (0.49   0.02   3.23) =   0.001%
          QD1   LEU  123 - HZ    PHE   72   7.11 +/- 0.99   0.497% *  0.1019% (0.20   0.02   0.02) =   0.001%
          QD1   LEU   71 - HZ    PHE   72   8.92 +/- 0.74   0.142% *  0.1019% (0.20   0.02  19.31) =   0.000%
          QG1   VAL  108 - HZ    PHE   72  15.28 +/- 0.80   0.005% *  0.4303% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.87 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 = 0.8, support = 2.5, residual support = 19.0:
          QD2   LEU   63 - HZ    PHE   72   3.75 +/- 0.82  65.478% * 43.8644% (0.69   2.63  19.00) =  61.544%  kept
          QD1   LEU   63 - HZ    PHE   72   4.25 +/- 0.80  32.821% * 54.6681% (0.98   2.29  19.00) =  38.448%  kept
          QD1   LEU  104 - HZ    PHE   72   8.25 +/- 0.69   0.555% *  0.2181% (0.45   0.02   0.02) =   0.003%
          QD2   LEU  115 - HZ    PHE   72   9.16 +/- 0.94   0.263% *  0.3532% (0.73   0.02   0.02) =   0.002%
          QD1   LEU   73 - HZ    PHE   72   9.78 +/- 0.16   0.186% *  0.4768% (0.98   0.02  31.68) =   0.002%
          QG2   VAL   41 - HZ    PHE   72   7.85 +/- 0.35   0.685% *  0.0852% (0.18   0.02   0.02) =   0.001%
          QD2   LEU   80 - HZ    PHE   72  15.90 +/- 0.66   0.011% *  0.3341% (0.69   0.02   0.02) =   0.000%
    Distance limit 4.37 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 = 40.0:
        T QG2   VAL   70 - HZ    PHE   72   3.37 +/- 0.64 100.000% *100.0000% (0.90   4.44  40.04) = 100.000%  kept
    Distance limit 4.39 A violated in 0 structures by 0.00 A, kept.
 
    Peak 208 (10.56, 7.75, 128.42 ppm):
    1 chemical-shift based assignment, quality = 0.98, support = 1.89, residual support = 65.7:
      O   HE1   TRP   87 - HD1   TRP   87   2.64 +/- 0.00 100.000% *100.0000% (0.98   1.89  65.65) = 100.000%  kept
    Distance limit 3.37 A violated in 0 structures by 0.00 A, kept.
 
    Peak 209 (10.56, 7.61, 114.70 ppm):
    2 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 65.7:
      O   HE1   TRP   87 - HZ2   TRP   87   2.85 +/- 0.00  99.999% * 99.9133% (0.98   1.00  65.65) = 100.000%  kept
          HE1   TRP   87 - HN    ILE   56  20.64 +/- 0.63   0.001% *  0.0867% (0.04   0.02   0.02) =   0.000%
    Distance limit 4.15 A violated in 0 structures by 0.00 A, kept.
 
    Peak 210 (7.13, 7.71, 120.66 ppm):
    3 chemical-shift based assignments, quality = 0.98, support = 1.0, residual support = 65.7:
      O T HZ3   TRP   87 - HE3   TRP   87   2.49 +/- 0.00  99.956% * 97.2747% (0.98   1.00  65.65) =  99.999%  kept
          QD    PHE   97 - HE3   TRP   87   9.10 +/- 0.37   0.044% *  1.9804% (1.00   0.02   0.02) =   0.001%
          HE3   TRP   49 - HE3   TRP   87  22.28 +/- 0.32   0.000% *  0.7449% (0.38   0.02   0.02) =   0.000%
    Distance limit 4.00 A violated in 0 structures by 0.00 A, kept.
 
    Peak 211 (7.61, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.991, support = 1.0, residual support = 65.7:
      O   HZ2   TRP   87 - HH2   TRP   87   2.52 +/- 0.00  99.975% * 95.7740% (0.99   1.00  65.65) = 100.000%  kept
          HD21  ASN   28 - HH2   TRP   87  11.77 +/- 0.83   0.011% *  1.8943% (0.98   0.02   0.02) =   0.000%
          QE    PHE   60 - HH2   TRP   87  11.45 +/- 1.09   0.013% *  0.9407% (0.49   0.02   0.02) =   0.000%
          HN    LEU   63 - HH2   TRP   87  17.92 +/- 0.69   0.001% *  0.7945% (0.41   0.02   0.02) =   0.000%
          HN    ILE   56 - HH2   TRP   87  20.95 +/- 0.52   0.000% *  0.5965% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 212 (7.22, 7.61, 114.70 ppm):
    6 chemical-shift based assignments, quality = 0.897, support = 1.0, residual support = 65.7:
      O   HH2   TRP   87 - HZ2   TRP   87   2.52 +/- 0.00  98.926% * 97.3925% (0.90   1.00  65.65) = 100.000%  kept
          HN    PHE   59 - HN    ILE   56   5.40 +/- 0.30   1.072% *  0.0262% (0.01   0.02  15.72) =   0.000%
          HN    HIS  122 - HZ2   TRP   87  19.52 +/- 0.61   0.000% *  1.8141% (0.84   0.02   0.02) =   0.000%
          HN    PHE   59 - HZ2   TRP   87  20.44 +/- 0.59   0.000% *  0.6039% (0.28   0.02   0.02) =   0.000%
          HN    HIS  122 - HN    ILE   56  16.60 +/- 0.26   0.001% *  0.0787% (0.04   0.02   0.02) =   0.000%
          HH2   TRP   87 - HN    ILE   56  20.95 +/- 0.52   0.000% *  0.0845% (0.04   0.02   0.02) =   0.000%
    Distance limit 3.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 213 (6.74, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.867, support = 0.75, residual support = 6.25:
          HZ2   TRP   27 - HZ2   TRP   87   2.24 +/- 0.36  99.997% * 99.3931% (0.87   0.75   6.25) = 100.000%  kept
          HZ    PHE   72 - HZ2   TRP   87  15.55 +/- 0.84   0.001% *  0.4715% (0.15   0.02   0.02) =   0.000%
          HZ2   TRP   27 - HN    ILE   56  19.87 +/- 0.55   0.000% *  0.1150% (0.04   0.02   0.02) =   0.000%
          HZ    PHE   72 - HN    ILE   56  15.29 +/- 0.78   0.002% *  0.0205% (0.01   0.02   0.02) =   0.000%
    Distance limit 3.92 A violated in 0 structures by 0.00 A, kept.
 
    Peak 214 (7.35, 7.13, 121.44 ppm):
    7 chemical-shift based assignments, quality = 0.576, support = 0.0199, residual support = 0.0199:
          HD21  ASN   35 - HZ3   TRP   87  12.16 +/- 0.67  43.126% * 11.6802% (0.53   0.02   0.02) =  41.826%  kept
          QE    PHE   95 - HZ3   TRP   87  12.47 +/- 0.47  36.607% * 10.8062% (0.49   0.02   0.02) =  32.847%  kept
          HN    THR   23 - HZ3   TRP   87  15.82 +/- 0.38   8.739% * 11.6802% (0.53   0.02   0.02) =   8.476%  kept
          HD2   HIS   22 - HZ3   TRP   87  18.25 +/- 0.96   3.938% * 20.4937% (0.92   0.02   0.02) =   6.701%  kept
          HN    LEU   67 - HZ3   TRP   87  18.32 +/- 0.84   3.714% * 19.9101% (0.90   0.02   0.02) =   6.140%  kept
          HD1   TRP   49 - HZ3   TRP   87  20.45 +/- 0.41   1.885% * 22.0041% (0.99   0.02   0.02) =   3.444%  kept
          QD    PHE   55 - HZ3   TRP   87  20.28 +/- 0.49   1.991% *  3.4254% (0.15   0.02   0.02) =   0.566%
    Distance limit 3.43 A violated in 20 structures by 7.13 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 = 22.3:
          HN    ASP-  86 - HD1   TRP   87   4.06 +/- 0.13  99.653% * 97.7159% (0.38   3.73  22.32) =  99.997%  kept
          HN    GLU-  29 - HD1   TRP   87  11.83 +/- 0.36   0.171% *  1.1183% (0.80   0.02   0.02) =   0.002%
          HN    GLN   30 - HD1   TRP   87  11.88 +/- 0.31   0.165% *  0.4311% (0.31   0.02   0.02) =   0.001%
          HN    VAL   18 - HD1   TRP   87  18.58 +/- 0.44   0.011% *  0.7348% (0.53   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 216 (-0.01, 7.23, 124.80 ppm):
    1 chemical-shift based assignment, quality = 0.801, support = 0.75, residual support = 2.24:
          QD1   LEU   31 - HH2   TRP   87   4.06 +/- 0.34 100.000% *100.0000% (0.80   0.75   2.24) = 100.000%  kept
    Distance limit 4.47 A violated in 0 structures by 0.00 A, kept.
 
    Peak 217 (0.56, 7.23, 124.80 ppm):
    8 chemical-shift based assignments, quality = 0.526, support = 2.0, residual support = 3.46:
          QD2   LEU   98 - HH2   TRP   87   3.12 +/- 0.62  94.765% * 93.8318% (0.53   2.00   3.46) =  99.933%  kept
          QG2   VAL   41 - HH2   TRP   87   5.81 +/- 0.88   3.691% *  1.2951% (0.73   0.02   0.02) =   0.054%
          QD1   LEU   73 - HH2   TRP   87   6.94 +/- 0.54   1.227% *  0.7996% (0.45   0.02   0.02) =   0.011%
          QD1   LEU   80 - HH2   TRP   87  11.18 +/- 1.11   0.101% *  0.9383% (0.53   0.02   0.02) =   0.001%
          QD2   LEU   80 - HH2   TRP   87  10.11 +/- 0.86   0.146% *  0.2752% (0.15   0.02   0.02) =   0.000%
          QD2   LEU   63 - HH2   TRP   87  13.47 +/- 0.80   0.023% *  1.7481% (0.98   0.02   0.02) =   0.000%
          QD1   LEU   63 - HH2   TRP   87  12.13 +/- 0.62   0.041% *  0.7996% (0.45   0.02   0.02) =   0.000%
        T QD2   LEU  115 - HH2   TRP   87  16.46 +/- 0.76   0.007% *  0.3123% (0.18   0.02   0.02) =   0.000%
    Distance limit 4.34 A violated in 0 structures by 0.00 A, kept.
 
    Peak 218 (0.72, 7.23, 124.80 ppm):
    5 chemical-shift based assignments, quality = 0.764, support = 0.75, residual support = 3.46:
          QD1   LEU   98 - HH2   TRP   87   3.00 +/- 0.64  99.684% * 94.3481% (0.76   0.75   3.46) =  99.993%  kept
          QD2   LEU  104 - HH2   TRP   87   9.16 +/- 0.56   0.243% *  2.3906% (0.73   0.02   0.02) =   0.006%
          QD1   ILE   19 - HH2   TRP   87  12.83 +/- 0.53   0.031% *  1.8639% (0.57   0.02   0.02) =   0.001%
          QG2   THR   46 - HH2   TRP   87  13.68 +/- 0.50   0.019% *  0.8209% (0.25   0.02   0.02) =   0.000%
          QG2   VAL   18 - HH2   TRP   87  13.64 +/- 0.81   0.023% *  0.5766% (0.18   0.02   0.02) =   0.000%
    Distance limit 3.94 A violated in 0 structures by 0.00 A, kept.
 
    Peak 220 (3.41, 7.71, 120.66 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.02, residual support = 65.7:
      O T HB2   TRP   87 - HE3   TRP   87   2.61 +/- 0.03  99.998% * 99.3421% (1.00   3.02  65.65) = 100.000%  kept
        T HB2   PHE   60 - HE3   TRP   87  15.43 +/- 0.74   0.002% *  0.6579% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.24 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 = 0.838, support = 0.0509, residual support = 0.02:
        T QD1   ILE  103 - HE3   TRP   87   3.95 +/- 0.34  93.601% * 14.4150% (0.95   0.02   0.02) =  83.975%  kept
          QG2   ILE  103 - HE3   TRP   87   6.39 +/- 0.27   5.556% * 45.7246% (0.28   0.22   0.02) =  15.813%  kept
          QD2   LEU   40 - HE3   TRP   87   9.22 +/- 0.39   0.643% *  2.6687% (0.18   0.02   0.02) =   0.107%
          QD2   LEU   71 - HE3   TRP   87  13.48 +/- 0.92   0.069% * 13.2183% (0.87   0.02   0.02) =   0.057%
          QG2   ILE  119 - HE3   TRP   87  16.08 +/- 0.46   0.023% * 15.2385% (1.00   0.02   0.02) =   0.022%
          HG3   LYS+  74 - HE3   TRP   87  14.76 +/- 0.66   0.042% *  5.7192% (0.38   0.02   0.02) =   0.015%
          QD1   LEU   67 - HE3   TRP   87  13.87 +/- 1.13   0.066% *  3.0157% (0.20   0.02   0.02) =   0.012%
    Distance limit 4.41 A violated in 0 structures by 0.01 A, kept.
    Not enough support, support cutoff is 0.50
    Peak unassigned.
 
    Peak 222 (4.35, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.801, support = 4.15, residual support = 65.7:
          HA    TRP   87 - HD1   TRP   87   4.16 +/- 0.06  99.944% * 99.0875% (0.80   4.15  65.65) = 100.000%  kept
          HA    PHE   59 - HD1   TRP   87  20.06 +/- 0.38   0.008% *  0.5754% (0.97   0.02   0.02) =   0.000%
          HA    LYS+  99 - HD1   TRP   87  15.01 +/- 0.35   0.046% *  0.0920% (0.15   0.02   0.02) =   0.000%
          HA    ASP- 113 - HD1   TRP   87  24.26 +/- 0.53   0.003% *  0.2451% (0.41   0.02   0.02) =   0.000%
    Distance limit 4.35 A violated in 0 structures by 0.00 A, kept.
 
    Peak 223 (3.79, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.411, support = 4.31, residual support = 18.9:
        T HA    VAL   83 - HD1   TRP   87   3.58 +/- 0.09  99.091% * 97.7276% (0.41   4.31  18.88) =  99.996%  kept
        T HA    VAL   24 - HD1   TRP   87   7.87 +/- 0.32   0.888% *  0.4137% (0.38   0.02   0.02) =   0.004%
        T HA    LYS+  38 - HD1   TRP   87  17.44 +/- 0.62   0.008% *  0.9885% (0.90   0.02   0.02) =   0.000%
        T HA    GLU- 100 - HD1   TRP   87  16.42 +/- 0.77   0.011% *  0.4942% (0.45   0.02   0.02) =   0.000%
          HD2   PRO   58 - HD1   TRP   87  21.48 +/- 0.48   0.002% *  0.3760% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.07 A violated in 0 structures by 0.00 A, kept.
 
    Peak 224 (3.41, 7.75, 128.42 ppm):
    2 chemical-shift based assignments, quality = 0.998, support = 3.96, residual support = 65.7:
      O   HB2   TRP   87 - HD1   TRP   87   3.80 +/- 0.02  99.984% * 99.4977% (1.00   3.96  65.65) = 100.000%  kept
        T HB2   PHE   60 - HD1   TRP   87  16.35 +/- 0.59   0.016% *  0.5023% (1.00   0.02   0.02) =   0.000%
    Distance limit 4.27 A violated in 0 structures by 0.00 A, kept.
 
    Peak 225 (2.94, 7.75, 128.42 ppm):
    6 chemical-shift based assignments, quality = 0.998, support = 3.6, residual support = 22.3:
        T HB2   ASP-  86 - HD1   TRP   87   3.32 +/- 0.09  99.850% * 98.0725% (1.00   3.60  22.32) =  99.999%  kept
        T HB2   ASN   28 - HD1   TRP   87  10.70 +/- 0.58   0.095% *  0.4560% (0.84   0.02   0.02) =   0.000%
        T HB2   ASN   35 - HD1   TRP   87  13.99 +/- 0.64   0.019% *  0.4371% (0.80   0.02   0.02) =   0.000%
          QE    LYS+  33 - HD1   TRP   87  15.61 +/- 0.91   0.010% *  0.3964% (0.73   0.02   0.02) =   0.000%
          HB2   ASP-  78 - HD1   TRP   87  13.32 +/- 0.23   0.024% *  0.1215% (0.22   0.02   0.02) =   0.000%
          QE    LYS+  65 - HD1   TRP   87  21.76 +/- 0.82   0.001% *  0.5164% (0.95   0.02   0.02) =   0.000%
    Distance limit 3.71 A violated in 0 structures by 0.00 A, kept.
 
    Peak 226 (2.48, 7.75, 128.42 ppm):
    5 chemical-shift based assignments, quality = 0.249, support = 3.49, residual support = 65.7:
      O   HB3   TRP   87 - HD1   TRP   87   2.67 +/- 0.01  99.912% * 95.8745% (0.25   3.49  65.65) =  99.999%  kept
          HG3   MET   96 - HD1   TRP   87   8.71 +/- 0.34   0.087% *  1.2467% (0.57   0.02   0.02) =   0.001%
          HG2   GLU-  36 - HD1   TRP   87  19.32 +/- 0.59   0.001% *  1.7633% (0.80   0.02   0.02) =   0.000%
          HB3   ASP-  62 - HD1   TRP   87  22.27 +/- 0.69   0.000% *  0.4358% (0.20   0.02   0.02) =   0.000%
          HG3   GLN  116 - HD1   TRP   87  25.08 +/- 0.61   0.000% *  0.6797% (0.31   0.02   0.02) =   0.000%
    Distance limit 3.69 A violated in 0 structures by 0.00 A, kept.
 
    Peak 227 (0.07, 7.75, 128.42 ppm):
    4 chemical-shift based assignments, quality = 0.897, support = 3.57, residual support = 18.9:
        T QG2   VAL   83 - HD1   TRP   87   1.84 +/- 0.09  99.488% * 98.9312% (0.90   3.57  18.88) =  99.999%  kept
          QD1   ILE   89 - HD1   TRP   87   5.49 +/- 0.30   0.160% *  0.4001% (0.65   0.02  13.37) =   0.001%
          QG2   VAL   43 - HD1   TRP   87   4.95 +/- 0.36   0.313% *  0.0837% (0.14   0.02   0.02) =   0.000%
          QD2   LEU   31 - HD1   TRP   87   7.07 +/- 0.55   0.039% *  0.5850% (0.95   0.02   2.24) =   0.000%
    Distance limit 3.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 228 (0.62, 7.75, 128.42 ppm):
    3 chemical-shift based assignments, quality = 0.725, support = 1.5, residual support = 18.9:
          QG1   VAL   83 - HD1   TRP   87   4.12 +/- 0.41  91.287% * 97.8019% (0.73   1.50  18.88) =  99.835%  kept
        T QG2   ILE   89 - HD1   TRP   87   6.21 +/- 0.18   8.665% *  1.6988% (0.95   0.02  13.37) =   0.165%
          QD1   LEU  104 - HD1   TRP   87  14.77 +/- 0.49   0.048% *  0.4993% (0.28   0.02   0.02) =   0.000%
    Distance limit 4.40 A violated in 0 structures by 0.00 A, kept.
 
    Peak 229 (0.56, 7.61, 114.70 ppm):
    16 chemical-shift based assignments, quality = 0.519, support = 0.74, residual support = 3.41:
          QD2   LEU   98 - HZ2   TRP   87   4.59 +/- 0.49  63.342% * 84.4550% (0.53   0.75   3.46) =  98.657%  kept
          QG2   VAL   41 - HZ2   TRP   87   6.04 +/- 0.71  14.320% *  3.1084% (0.73   0.02   0.02) =   0.821%
          QD1   LEU   73 - HZ2   TRP   87   6.21 +/- 0.52  11.890% *  1.9191% (0.45   0.02   0.02) =   0.421%
          QD1   LEU   80 - HZ2   TRP   87   9.36 +/- 1.09   1.290% *  2.2521% (0.53   0.02   0.02) =   0.054%
          QD2   LEU   80 - HZ2   TRP   87   8.27 +/- 0.84   2.621% *  0.6605% (0.15   0.02   0.02) =   0.032%
          QD2   LEU   63 - HZ2   TRP   87  14.60 +/- 0.72   0.066% *  4.1959% (0.98   0.02   0.02) =   0.005%
          QD1   LEU   63 - HZ2   TRP   87  13.12 +/- 0.60   0.121% *  1.9191% (0.45   0.02   0.02) =   0.004%
          QD2   LEU  115 - HN    ILE   56   7.25 +/- 0.27   4.494% *  0.0325% (0.01   0.02   0.02) =   0.003%
          QD2   LEU   63 - HN    ILE   56  10.69 +/- 0.99   0.520% *  0.1821% (0.04   0.02   0.02) =   0.002%
          QD1   LEU   63 - HN    ILE   56   9.10 +/- 0.41   1.134% *  0.0833% (0.02   0.02   0.02) =   0.002%
          QD2   LEU  115 - HZ2   TRP   87  17.49 +/- 0.75   0.021% *  0.7497% (0.18   0.02   0.02) =   0.000%
          QG2   VAL   41 - HN    ILE   56  16.16 +/- 0.37   0.035% *  0.1349% (0.03   0.02   0.02) =   0.000%
          QD2   LEU   98 - HN    ILE   56  15.63 +/- 0.81   0.044% *  0.0977% (0.02   0.02   0.02) =   0.000%
          QD1   LEU   80 - HN    ILE   56  16.53 +/- 1.30   0.034% *  0.0977% (0.02   0.02   0.02) =   0.000%
          QD1   LEU   73 - HN    ILE   56  16.08 +/- 0.34   0.036% *  0.0833% (0.02   0.02   0.02) =   0.000%
          QD2   LEU   80 - HN    ILE   56  16.48 +/- 0.49   0.031% *  0.0287% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.63 A violated in 3 structures by 0.15 A, kept.
 
    Peak 230 (0.03, 7.61, 114.70 ppm):
    4 chemical-shift based assignments, quality = 0.154, support = 0.747, residual support = 2.23:
          QD1   LEU   31 - HZ2   TRP   87   2.82 +/- 0.30  95.254% * 92.4210% (0.15   0.75   2.24) =  99.617%  kept
          QG2   VAL   43 - HZ2   TRP   87   4.83 +/- 0.61   4.732% *  7.1612% (0.45   0.02   0.02) =   0.383%
          QG2   VAL   43 - HN    ILE   56  12.85 +/- 0.35   0.013% *  0.3108% (0.02   0.02   0.02) =   0.000%
          QD1   LEU   31 - HN    ILE   56  18.52 +/- 0.37   0.001% *  0.1070% (0.01   0.02   0.02) =   0.000%
    Distance limit 4.32 A violated in 0 structures by 0.00 A, kept.
    Not enough quality.
    Peak unassigned.
 
    Peak 231 (4.57, 7.11, 121.95 ppm):
    7 chemical-shift based assignments, quality = 0.712, support = 1.8, residual support = 60.6:
          HA    TRP   49 - HE3   TRP   49   4.62 +/- 0.03  80.755% * 54.6918% (0.69   1.90  70.30) =  85.727%  kept
          HA    CYS   50 - HE3   TRP   49   5.99 +/- 0.10  17.127% * 42.8554% (0.87   1.18   2.36) =  14.247%  kept
          HA    ALA   47 - HE3   TRP   49   8.75 +/- 0.09   1.760% *  0.6395% (0.76   0.02  16.87) =   0.022%
          HA1   GLY  109 - HE3   TRP   49  11.93 +/- 0.71   0.293% *  0.6990% (0.84   0.02   0.02) =   0.004%
          HA    VAL  108 - HE3   TRP   49  15.72 +/- 0.66   0.054% *  0.5413% (0.65   0.02   0.02) =   0.001%
          HA    CYS   21 - HE3   TRP   49  20.80 +/- 0.67   0.010% *  0.4073% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HE3   TRP   49  30.88 +/- 0.30   0.001% *  0.1656% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.56 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 = 0.996, support = 0.02, residual support = 70.2:
          HD1   TRP   49 - HE3   TRP   49   5.08 +/- 0.00  99.643% * 23.6887% (1.00   0.02  70.30) =  99.835%  kept
          QE    PHE   95 - HE3   TRP   49  13.52 +/- 0.31   0.285% *  8.9104% (0.38   0.02   0.02) =   0.108%
          HD2   HIS   22 - HE3   TRP   49  19.12 +/- 2.07   0.044% * 23.2713% (0.98   0.02   0.02) =   0.043%
          HN    THR   23 - HE3   TRP   49  21.02 +/- 0.62   0.020% *  9.7604% (0.41   0.02   0.02) =   0.008%
          HN    LEU   67 - HE3   TRP   49  25.56 +/- 0.27   0.006% * 19.0107% (0.80   0.02   0.02) =   0.005%
          HD21  ASN   35 - HE3   TRP   49  33.16 +/- 0.73   0.001% * 15.3585% (0.65   0.02   0.02) =   0.001%
    Distance limit 3.82 A violated in 20 structures by 1.27 A, eliminated.
    Peak unassigned.
 
    Peak 233 (7.34, 7.18, 125.21 ppm):
    8 chemical-shift based assignments, quality = 0.78, support = 0.0195, residual support = 63.7:
          HD1   TRP   49 - HH2   TRP   49   6.66 +/- 0.00  82.409% * 16.7579% (0.84   0.02  70.30) =  90.631%  kept
          QD    PHE   55 - HH2   TRP   49   9.04 +/- 0.75  14.870% *  6.8436% (0.34   0.02   0.02) =   6.678%  kept
          QE    PHE   95 - HH2   TRP   49  12.02 +/- 0.59   2.448% * 15.3326% (0.76   0.02   0.02) =   2.463%
          HD2   HIS   22 - HH2   TRP   49  20.84 +/- 2.08   0.105% * 13.7814% (0.69   0.02   0.02) =   0.095%
          HN    THR   23 - HH2   TRP   49  22.20 +/- 0.50   0.061% * 16.0651% (0.80   0.02   0.02) =   0.064%
          HN    LEU   67 - HH2   TRP   49  24.91 +/- 0.40   0.030% * 20.0629% (1.00   0.02   0.02) =   0.040%
          HE3   TRP   27 - HH2   TRP   49  21.60 +/- 0.41   0.071% *  5.5782% (0.28   0.02   0.02) =   0.026%
          HD21  ASN   35 - HH2   TRP   49  32.46 +/- 0.64   0.006% *  5.5782% (0.28   0.02   0.02) =   0.002%
    Distance limit 3.75 A violated in 20 structures by 2.73 A, eliminated.
    Peak unassigned.
 
    Peak 234 (4.57, 7.35, 128.88 ppm):
    7 chemical-shift based assignments, quality = 0.759, support = 3.12, residual support = 37.9:
          HA    TRP   49 - HD1   TRP   49   4.13 +/- 0.03  32.484% * 45.5351% (0.69   4.17  70.30) =  47.850%  kept
          HA    CYS   50 - HD1   TRP   49   4.33 +/- 0.21  24.980% * 38.3526% (0.87   2.78   2.36) =  30.993%  kept
          HA    ALA   47 - HD1   TRP   49   3.95 +/- 0.08  42.404% * 15.4227% (0.76   1.27  16.87) =  21.156%  kept
          HA1   GLY  109 - HD1   TRP   49  10.98 +/- 0.89   0.100% *  0.2658% (0.84   0.02   0.02) =   0.001%
          HA    VAL  108 - HD1   TRP   49  13.90 +/- 0.78   0.023% *  0.2059% (0.65   0.02   0.02) =   0.000%
          HA    CYS   21 - HD1   TRP   49  16.66 +/- 0.59   0.008% *  0.1549% (0.49   0.02   0.02) =   0.000%
          HA    LYS+ 102 - HD1   TRP   49  27.52 +/- 0.41   0.000% *  0.0630% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.85 A violated in 0 structures by 0.00 A, kept.
 
    Peak 239 (9.86, 7.02, 132.19 ppm):
    1 chemical-shift based assignment, quality = 0.607, support = 3.86, residual support = 73.5:
          HN    PHE   95 - QD    PHE   95   3.43 +/- 0.22 100.000% *100.0000% (0.61   3.86  73.52) = 100.000%  kept
    Distance limit 4.18 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   2.09 +/- 0.19 100.000% *100.0000% (0.98   3.44  73.52) = 100.000%  kept
    Distance limit 4.22 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   2.58 +/- 0.35  99.921% * 93.1915% (0.90   2.00   4.73) =  99.999%  kept
          HA    ILE  103 - QD    PHE   95  10.83 +/- 0.10   0.024% *  0.7546% (0.73   0.02   0.02) =   0.000%
          HB    THR   77 - QD    PHE   95  11.37 +/- 0.37   0.017% *  0.8679% (0.84   0.02   0.02) =   0.000%
          HA    SER   85 - QD    PHE   95  13.81 +/- 0.55   0.005% *  0.8679% (0.84   0.02   0.02) =   0.000%
          HA    LEU  104 - QD    PHE   95  11.74 +/- 0.14   0.015% *  0.2889% (0.28   0.02   0.02) =   0.000%
          HA    ASP-  86 - QD    PHE   95  15.27 +/- 0.38   0.003% *  0.7546% (0.73   0.02   0.02) =   0.000%
          HA1   GLY   51 - QD    PHE   95  13.45 +/- 0.22   0.007% *  0.2056% (0.20   0.02   0.02) =   0.000%
          HA    GLU-  79 - QD    PHE   95  15.83 +/- 0.27   0.002% *  0.3545% (0.34   0.02   0.02) =   0.000%
          HA    THR   39 - QD    PHE   95  15.52 +/- 0.25   0.003% *  0.2889% (0.28   0.02   0.02) =   0.000%
          HA    GLU-  14 - QD    PHE   95  18.62 +/- 1.27   0.001% *  0.6722% (0.65   0.02   0.02) =   0.000%
          HA    ALA   12 - QD    PHE   95  23.34 +/- 1.51   0.000% *  0.7941% (0.76   0.02   0.02) =   0.000%
          HA    MET   11 - QD    PHE   95  25.45 +/- 2.21   0.000% *  0.9592% (0.92   0.02   0.02) =   0.000%
    Distance limit 4.16 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   2.31 +/- 0.02 100.000% *100.0000% (0.97   3.00  73.52) = 100.000%  kept
    Distance limit 3.77 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   2.73 +/- 0.06  99.889% * 99.2275% (0.99   3.31  73.52) =  99.999%  kept
          HG2   GLN  116 - QD    PHE   95   8.60 +/- 0.43   0.110% *  0.6045% (1.00   0.02   0.02) =   0.001%
          HG2   GLU-  25 - QD    PHE   95  20.86 +/- 0.28   0.001% *  0.1681% (0.28   0.02   0.02) =   0.000%
    Distance limit 3.65 A violated in 0 structures by 0.00 A, kept.
 
    Peak 244 (2.40, 7.02, 132.19 ppm):
    5 chemical-shift based assignments, quality = 0.923, support = 3.86, residual support = 40.9:
        T HB    VAL  107 - QD    PHE   95   2.19 +/- 0.29  99.757% * 98.6621% (0.92   3.86  40.89) =  99.999%  kept
          QE    LYS+ 112 - QD    PHE   95   7.26 +/- 0.51   0.141% *  0.2916% (0.53   0.02   0.02) =   0.000%
          HB3   PHE   45 - QD    PHE   95   7.40 +/- 0.30   0.099% *  0.2916% (0.53   0.02   1.89) =   0.000%
          QG    GLU-  79 - QD    PHE   95  14.05 +/- 0.77   0.002% *  0.2916% (0.53   0.02   0.02) =   0.000%
          QG    GLN   32 - QD    PHE   95  17.74 +/- 0.72   0.000% *  0.4630% (0.84   0.02   0.02) =   0.000%
    Distance limit 3.78 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   2.78 +/- 0.65  93.531% * 77.2019% (0.76   0.75   4.73) =  99.811%  kept
          HB3   PRO   93 - QD    PHE   95   5.22 +/- 0.29   3.431% *  2.6939% (1.00   0.02   0.02) =   0.128%
          HB2   LEU   63 - QD    PHE   95   6.17 +/- 0.24   1.385% *  1.7427% (0.65   0.02   2.08) =   0.033%
          HB    VAL   42 - QD    PHE   95   6.78 +/- 0.22   0.773% *  0.8315% (0.31   0.02   1.50) =   0.009%
          HG3   LYS+ 106 - QD    PHE   95   8.33 +/- 0.47   0.247% *  1.6339% (0.61   0.02   0.02) =   0.006%
          QB    ALA   84 - QD    PHE   95   9.64 +/- 0.28   0.093% *  2.6879% (1.00   0.02   0.02) =   0.003%
          HG    LEU   98 - QD    PHE   95  10.07 +/- 0.84   0.083% *  2.5998% (0.97   0.02   0.02) =   0.003%
          HG2   LYS+ 111 - QD    PHE   95   8.49 +/- 0.27   0.199% *  0.8315% (0.31   0.02   0.02) =   0.002%
          HB2   LYS+ 112 - QD    PHE   95   9.32 +/- 0.28   0.124% *  1.3112% (0.49   0.02   0.02) =   0.002%
          HB3   LEU   73 - QD    PHE   95  10.20 +/- 0.23   0.067% *  1.0110% (0.38   0.02   0.02) =   0.001%
          HB3   LEU   80 - QD    PHE   95  13.37 +/- 1.21   0.020% *  1.4173% (0.53   0.02   0.02) =   0.000%
          QB    ALA  124 - QD    PHE   95  14.21 +/- 0.51   0.011% *  2.4159% (0.90   0.02   0.02) =   0.000%
          HG3   LYS+  65 - QD    PHE   95  12.31 +/- 0.49   0.022% *  0.8315% (0.31   0.02   0.02) =   0.000%
          HB2   LEU   31 - QD    PHE   95  15.52 +/- 0.36   0.006% *  1.0110% (0.38   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - QD    PHE   95  16.39 +/- 0.77   0.004% *  1.1075% (0.41   0.02   0.02) =   0.000%
          HG3   LYS+  33 - QD    PHE   95  17.20 +/- 0.39   0.003% *  0.6717% (0.25   0.02   0.02) =   0.000%
    Distance limit 4.16 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 = 40.9:
        T QG2   VAL  107 - QD    PHE   95   1.97 +/- 0.14  99.985% * 98.5495% (0.99   2.95  40.89) = 100.000%  kept
          HG13  ILE  103 - QD    PHE   95   9.74 +/- 0.35   0.008% *  0.5390% (0.80   0.02   0.02) =   0.000%
          HG2   LYS+ 121 - QD    PHE   95  11.03 +/- 0.64   0.004% *  0.5839% (0.87   0.02   0.02) =   0.000%
          QB    ALA   20 - QD    PHE   95  11.07 +/- 0.26   0.004% *  0.3276% (0.49   0.02   0.02) =   0.000%
    Distance limit 3.75 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 = 0.913, support = 1.05, residual support = 2.79:
          QD1   LEU   63 - QD    PHE   95   4.00 +/- 0.17  65.831% * 59.6815% (0.90   1.15   2.08) =  81.708%  kept
        T QD2   LEU  115 - QD    PHE   95   4.85 +/- 0.49  24.068% * 36.3717% (0.99   0.63   6.01) =  18.206%  kept
          QD2   LEU   63 - QD    PHE   95   5.77 +/- 0.53   9.223% *  0.3587% (0.31   0.02   2.08) =   0.069%
          QD1   LEU   73 - QD    PHE   95   9.37 +/- 0.30   0.411% *  1.0422% (0.90   0.02   0.02) =   0.009%
          QD1   LEU  104 - QD    PHE   95  10.05 +/- 0.38   0.278% *  0.9707% (0.84   0.02   0.02) =   0.006%
          QD2   LEU   80 - QD    PHE   95  11.63 +/- 0.62   0.117% *  1.1391% (0.98   0.02   0.02) =   0.003%
          QG1   VAL   83 - QD    PHE   95  12.68 +/- 0.65   0.071% *  0.4361% (0.38   0.02   0.02) =   0.001%
    Distance limit 4.28 A violated in 0 structures by 0.00 A, kept.
 
    Peak 248 (0.38, 7.02, 132.19 ppm):
    4 chemical-shift based assignments, quality = 0.646, support = 0.749, residual support = 1.49:
        T QG1   VAL   42 - QD    PHE   95   3.88 +/- 0.16  96.086% * 93.8162% (0.65   0.75   1.50) =  99.921%  kept
          QB    ALA   64 - QD    PHE   95   7.47 +/- 0.30   1.947% *  2.0347% (0.53   0.02   0.02) =   0.044%
          HG2   LYS+ 112 - QD    PHE   95   7.89 +/- 0.63   1.484% *  1.1936% (0.31   0.02   0.02) =   0.020%
        T QB    ALA   47 - QD    PHE   95   9.40 +/- 0.27   0.482% *  2.9555% (0.76   0.02   0.02) =   0.016%
    Distance limit 4.03 A violated in 0 structures by 0.00 A, kept.
 
    Peak 249 (3.70, 6.83, 120.22 ppm):
    7 chemical-shift based assignments, quality = 0.726, support = 3.64, residual support = 10.8:
          HA    ILE  119 - HD2   HIS  122   2.07 +/- 0.14  99.026% * 97.9167% (0.73   3.64  10.82) =  99.996%  kept
          HA    THR  118 - HD2   HIS  122   4.54 +/- 0.12   0.971% *  0.4191% (0.57   0.02   2.28) =   0.004%
          HD3   PRO   58 - HD2   HIS  122  12.58 +/- 0.35   0.002% *  0.2285% (0.31   0.02   0.02) =   0.000%
          HA2   GLY  109 - HD2   HIS  122  15.53 +/- 0.42   0.001% *  0.2058% (0.28   0.02   0.02) =   0.000%
          HA    VAL   75 - HD2   HIS  122  18.98 +/- 0.31   0.000% *  0.4191% (0.57   0.02   0.02) =   0.000%
          HA    ALA   84 - HD2   HIS  122  19.50 +/- 0.53   0.000% *  0.3319% (0.45   0.02   0.02) =   0.000%
          HB2   TRP   49 - HD2   HIS  122  24.88 +/- 0.24   0.000% *  0.4789% (0.65   0.02   0.02) =   0.000%
    Distance limit 4.25 A violated in 0 structures by 0.00 A, kept.
 
    Peak 250 (3.47, 6.83, 120.22 ppm):
    4 chemical-shift based assignments, quality = 0.487, support = 3.37, residual support = 67.4:
      O T HB2   HIS  122 - HD2   HIS  122   3.93 +/- 0.03  99.777% * 98.3752% (0.49   3.37  67.44) =  99.998%  kept
          HA    LYS+ 112 - HD2   HIS  122  11.08 +/- 0.35   0.203% *  0.9166% (0.76   0.02   0.02) =   0.002%
          HB    THR   46 - HD2   HIS  122  16.50 +/- 0.50   0.018% *  0.2991% (0.25   0.02   0.02) =   0.000%
          HB2   HIS   22 - HD2   HIS  122  25.90 +/- 0.38   0.001% *  0.4091% (0.34   0.02   0.02) =   0.000%
    Distance limit 4.34 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 = 3.74, residual support = 67.4:
      O T HB3   HIS  122 - HD2   HIS  122   2.86 +/- 0.06  99.429% * 99.1887% (0.97   3.74  67.44) =  99.998%  kept
          QE    LYS+ 121 - HD2   HIS  122   6.90 +/- 0.44   0.570% *  0.3776% (0.69   0.02  50.01) =   0.002%
          HG2   GLN   30 - HD2   HIS  122  20.57 +/- 0.52   0.001% *  0.1224% (0.22   0.02   0.02) =   0.000%
          HB3   ASP-  78 - HD2   HIS  122  24.75 +/- 0.54   0.000% *  0.3113% (0.57   0.02   0.02) =   0.000%
    Distance limit 3.61 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 = 0.336, support = 0.0189, residual support = 0.0189:
          HB3   ASP- 105 - HD2   HIS  122   5.49 +/- 0.47  93.105% *  4.4223% (0.34   0.02   0.02) =  89.578%  kept
          QB    LYS+ 106 - HD2   HIS  122   9.99 +/- 0.37   2.605% *  8.3868% (0.65   0.02   0.02) =   4.754%  kept
          HB3   PRO   58 - HD2   HIS  122  11.73 +/- 0.51   1.161% *  7.8633% (0.61   0.02   0.02) =   1.986%
          HB    ILE   56 - HD2   HIS  122  13.40 +/- 0.37   0.477% * 12.7077% (0.98   0.02   0.02) =   1.320%
          HG3   PRO   68 - HD2   HIS  122  11.68 +/- 1.99   1.863% *  3.2327% (0.25   0.02   0.02) =   1.310%
          HB    ILE  103 - HD2   HIS  122  13.50 +/- 0.58   0.428% *  3.6046% (0.28   0.02   0.02) =   0.336%
          HB3   LYS+  38 - HD2   HIS  122  18.11 +/- 0.54   0.077% * 12.9357% (1.00   0.02   0.02) =   0.217%
          HB3   GLN   30 - HD2   HIS  122  18.75 +/- 0.49   0.064% * 11.9677% (0.92   0.02   0.02) =   0.166%
          HB2   MET   92 - HD2   HIS  122  18.78 +/- 0.38   0.063% * 10.3811% (0.80   0.02   0.02) =   0.141%
          QB    LYS+  33 - HD2   HIS  122  18.41 +/- 0.57   0.072% *  5.8124% (0.45   0.02   0.02) =   0.091%
          HG2   ARG+  54 - HD2   HIS  122  19.93 +/- 0.86   0.046% *  4.0014% (0.31   0.02   0.02) =   0.040%
          HB3   GLN   90 - HD2   HIS  122  22.28 +/- 0.95   0.022% *  6.8209% (0.53   0.02   0.02) =   0.033%
          QB    LYS+  81 - HD2   HIS  122  23.46 +/- 0.43   0.016% *  7.8633% (0.61   0.02   0.02) =   0.028%
    Distance limit 4.32 A violated in 19 structures by 1.14 A, eliminated.
    Peak unassigned.
 
    Peak 253 (1.67, 6.83, 120.22 ppm):
    11 chemical-shift based assignments, quality = 0.923, support = 5.56, residual support = 50.0:
          HB2   LYS+ 121 - HD2   HIS  122   3.86 +/- 0.25  94.619% * 97.7966% (0.92   5.56  50.01) =  99.988%  kept
          HB2   LEU  123 - HD2   HIS  122   6.52 +/- 0.49   5.117% *  0.2004% (0.53   0.02  31.39) =   0.011%
          QD    LYS+  65 - HD2   HIS  122  12.99 +/- 0.48   0.070% *  0.3602% (0.95   0.02   0.02) =   0.000%
          QD    LYS+ 102 - HD2   HIS  122  15.36 +/- 0.80   0.025% *  0.2910% (0.76   0.02   0.02) =   0.000%
          HG3   PRO   93 - HD2   HIS  122  16.05 +/- 0.31   0.019% *  0.2156% (0.57   0.02   0.02) =   0.000%
          HD2   LYS+  74 - HD2   HIS  122  15.14 +/- 0.78   0.029% *  0.1429% (0.38   0.02   0.02) =   0.000%
          QB    ALA   57 - HD2   HIS  122  12.97 +/- 0.28   0.069% *  0.0588% (0.15   0.02   0.02) =   0.000%
          QD    LYS+  38 - HD2   HIS  122  18.20 +/- 0.46   0.009% *  0.3800% (1.00   0.02   0.02) =   0.000%
          HD2   LYS+ 111 - HD2   HIS  122  15.32 +/- 0.78   0.027% *  0.1059% (0.28   0.02   0.02) =   0.000%
          HB    VAL   83 - HD2   HIS  122  22.21 +/- 0.51   0.003% *  0.3733% (0.98   0.02   0.02) =   0.000%
          HB3   MET   92 - HD2   HIS  122  17.38 +/- 0.55   0.012% *  0.0754% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.19 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 = 0.978, support = 4.7, residual support = 50.0:
          HB3   LYS+ 121 - HD2   HIS  122   4.06 +/- 0.17  90.870% * 71.1110% (1.00   4.68  50.01) =  96.955%  kept
          HD2   LYS+ 121 - HD2   HIS  122   6.36 +/- 0.65   7.357% * 27.5250% (0.34   5.30  50.01) =   3.039%  kept
          QD    LYS+  66 - HD2   HIS  122   9.21 +/- 1.15   0.972% *  0.2213% (0.73   0.02   0.02) =   0.003%
          HG    LEU  104 - HD2   HIS  122   9.59 +/- 0.43   0.567% *  0.3040% (1.00   0.02   0.02) =   0.003%
          HB3   LYS+ 111 - HD2   HIS  122  12.72 +/- 0.38   0.100% *  0.2941% (0.97   0.02   0.02) =   0.000%
          HD3   LYS+  74 - HD2   HIS  122  15.66 +/- 0.71   0.029% *  0.2882% (0.95   0.02   0.02) =   0.000%
          HG2   LYS+  65 - HD2   HIS  122  13.13 +/- 0.59   0.085% *  0.0847% (0.28   0.02   0.02) =   0.000%
          HG2   LYS+  33 - HD2   HIS  122  19.40 +/- 1.35   0.009% *  0.1039% (0.34   0.02   0.02) =   0.000%
          QG2   THR   26 - HD2   HIS  122  18.43 +/- 0.49   0.011% *  0.0678% (0.22   0.02   0.02) =   0.000%
    Distance limit 4.29 A violated in 0 structures by 0.00 A, kept.
 
    Peak 255 (0.98, 6.83, 120.22 ppm):
    8 chemical-shift based assignments, quality = 0.173, support = 3.01, residual support = 10.7:
          QG2   ILE  119 - HD2   HIS  122   3.92 +/- 0.17  72.248% * 83.8793% (0.18   3.06  10.82) =  98.596%  kept
          QD1   LEU   67 - HD2   HIS  122   6.13 +/- 2.60  24.679% *  3.1260% (1.00   0.02   0.87) =   1.255%
          QD2   LEU   40 - HD2   HIS  122   7.11 +/- 0.55   2.452% *  3.1329% (1.00   0.02   0.02) =   0.125%
          QG2   ILE  103 - HD2   HIS  122   9.51 +/- 0.52   0.409% *  3.0235% (0.97   0.02   0.02) =   0.020%
          QD1   ILE  103 - HD2   HIS  122  11.75 +/- 0.74   0.123% *  0.9670% (0.31   0.02   0.02) =   0.002%
          QD2   LEU   71 - HD2   HIS  122  12.80 +/- 0.45   0.062% *  1.2880% (0.41   0.02   0.02) =   0.001%
          HG3   LYS+  74 - HD2   HIS  122  16.32 +/- 1.11   0.015% *  2.8097% (0.90   0.02   0.02) =   0.001%
        T HB    VAL   75 - HD2   HIS  122  17.28 +/- 0.58   0.010% *  1.7737% (0.57   0.02   0.02) =   0.000%
    Distance limit 4.23 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 = 4.5, residual support = 31.4:
          QD1   LEU  123 - HD2   HIS  122   4.16 +/- 0.30  87.890% * 52.7403% (0.49   4.53  31.39) =  94.754%  kept
          QD2   LEU  123 - HD2   HIS  122   6.65 +/- 0.25   5.498% * 46.4003% (0.49   3.99  31.39) =   5.215%  kept
          HB3   LEU  104 - HD2   HIS  122   7.81 +/- 0.47   2.282% *  0.3993% (0.84   0.02   0.02) =   0.019%
          QG1   VAL   70 - HD2   HIS  122   7.01 +/- 0.38   4.109% *  0.1329% (0.28   0.02   0.02) =   0.011%
          QD1   LEU   71 - HD2   HIS  122  13.68 +/- 0.66   0.074% *  0.2327% (0.49   0.02   0.02) =   0.000%
          QG1   VAL   18 - HD2   HIS  122  12.23 +/- 0.72   0.148% *  0.0946% (0.20   0.02   0.02) =   0.000%
    Distance limit 4.36 A violated in 1 structures by 0.04 A, kept.
 
    Peak 258 (0.24, 6.83, 120.22 ppm):
    1 chemical-shift based assignment, quality = 0.687, support = 0.985, residual support = 2.28:
        T QG2   THR  118 - HD2   HIS  122   2.96 +/- 0.27 100.000% *100.0000% (0.69   0.99   2.28) = 100.000%  kept
    Distance limit 3.05 A violated in 0 structures by 0.05 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 = 1.37, residual support = 10.8:
          HB3   LEU   73 - HE3   TRP   27   3.25 +/- 0.46  93.985% * 87.0647% (0.94   1.37  10.76) =  99.977%  kept
          HG3   LYS+  65 - HN    LEU   67   6.40 +/- 0.41   2.281% *  0.2042% (0.15   0.02   0.02) =   0.006%
          HB3   LYS+  74 - HE3   TRP   27   7.35 +/- 0.19   0.854% *  0.4133% (0.31   0.02   0.02) =   0.004%
          HB2   LEU   80 - HE3   TRP   27   7.49 +/- 0.78   0.887% *  0.2345% (0.17   0.02  10.41) =   0.003%
          HB    VAL   42 - HE3   TRP   27   9.92 +/- 0.68   0.146% *  1.3125% (0.97   0.02   0.02) =   0.002%
          HG3   LYS+  33 - HE3   TRP   27  10.77 +/- 0.96   0.137% *  1.3361% (0.99   0.02   0.02) =   0.002%
          QB    ALA   84 - HE3   TRP   27   8.23 +/- 0.54   0.534% *  0.2650% (0.20   0.02   0.02) =   0.002%
          HB    VAL   42 - HN    LEU   67   7.93 +/- 0.40   0.627% *  0.2042% (0.15   0.02   0.02) =   0.002%
          QB    LEU   98 - HE3   TRP   27   9.81 +/- 0.42   0.166% *  0.7581% (0.56   0.02   0.02) =   0.002%
          QB    ALA   12 - HE3   TRP   27  16.35 +/- 2.79   0.036% *  1.1185% (0.83   0.02   0.02) =   0.000%
          HG    LEU   98 - HE3   TRP   27  10.07 +/- 0.93   0.177% *  0.1812% (0.13   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HE3   TRP   27  15.49 +/- 1.02   0.012% *  1.0233% (0.76   0.02   0.02) =   0.000%
          HG3   LYS+  65 - HE3   TRP   27  17.62 +/- 0.63   0.005% *  1.3125% (0.97   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HE3   TRP   27  17.94 +/- 0.87   0.004% *  1.2361% (0.91   0.02   0.02) =   0.000%
          HB3   LEU   73 - HN    LEU   67  13.63 +/- 0.38   0.024% *  0.1971% (0.15   0.02   0.02) =   0.000%
          HB3   PRO   93 - HE3   TRP   27  14.68 +/- 0.72   0.016% *  0.2981% (0.22   0.02   0.02) =   0.000%
          QB    LEU   98 - HN    LEU   67  14.21 +/- 0.53   0.017% *  0.1180% (0.09   0.02   0.02) =   0.000%
          HG3   LYS+  33 - HN    LEU   67  15.91 +/- 1.26   0.008% *  0.2079% (0.15   0.02   0.02) =   0.000%
          HB3   LYS+  74 - HN    LEU   67  13.38 +/- 0.68   0.024% *  0.0643% (0.05   0.02   0.02) =   0.000%
          QB    ALA   12 - HN    LEU   67  16.24 +/- 1.20   0.009% *  0.1740% (0.13   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HN    LEU   67  14.49 +/- 1.22   0.018% *  0.0579% (0.04   0.02   0.02) =   0.000%
          HG3   LYS+ 106 - HN    LEU   67  17.17 +/- 0.64   0.006% *  0.1592% (0.12   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HE3   TRP   27  23.85 +/- 0.41   0.001% *  1.1615% (0.86   0.02   0.02) =   0.000%
          HB2   LYS+ 112 - HN    LEU   67  18.57 +/- 0.45   0.003% *  0.1807% (0.13   0.02   0.02) =   0.000%
          HD3   LYS+ 121 - HE3   TRP   27  21.25 +/- 0.89   0.002% *  0.3723% (0.28   0.02   0.02) =   0.000%
          HB3   PRO   93 - HN    LEU   67  16.59 +/- 0.43   0.007% *  0.0464% (0.03   0.02   0.02) =   0.000%
          HG3   LYS+ 102 - HN    LEU   67  21.28 +/- 1.12   0.002% *  0.1923% (0.14   0.02   0.02) =   0.000%
          HG    LEU   98 - HN    LEU   67  15.99 +/- 0.67   0.008% *  0.0282% (0.02   0.02   0.02) =   0.000%
          QB    ALA   84 - HN    LEU   67  18.93 +/- 0.32   0.003% *  0.0412% (0.03   0.02   0.02) =   0.000%
          HB2   LEU   80 - HN    LEU   67  23.17 +/- 0.86   0.001% *  0.0365% (0.03   0.02   0.02) =   0.000%
    Distance limit 4.45 A violated in 0 structures by 0.00 A, kept.
 
    Peaks:
      selected                               :    240
      with diagonal assignment               :     32
      without assignment possibility         :      8
      with one assignment possibility        :     20
      with multiple assignment possibilities :    180
      with given assignment possibilities    :      0
      with unique volume contribution        :    144
      with multiple volume contributions     :     56
      eliminated by violation filter         :     18
 
    Peaks:
      selected                               :    240
      without assignment                     :     31
      with assignment                        :    209
      with unique assignment                 :    166
      with multiple assignment               :     43
      with reference assignment              :     32
      with identical reference assignment    :     31
      with compatible reference assignment   :      1
      with incompatible reference assignment :      0
      with additional reference assignment   :      0
      with additional assignment             :    177
 
    Atoms with eliminated volume contribution > 2.5:
    QD    PHE   59       4.0
    QD    PHE   97       4.0