NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
281325 2ke7 16137 cing 1-original 1 XPLOR/CNS distance NOE simple


assign ( resid   23 and name    HN )
       ( resid   23 and name    HA )
        4.43  2.63  0.00 peak 10000 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   23 and name    HN )
       ( resid   23 and name   HG2 )
        5.07  3.27  0.00 peak 10002 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   23 and name    HA )
       ( resid   24 and name    HN )
        4.45  2.65  0.00 peak 10006 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   23 and name   HG2 )
       ( resid   24 and name    HN )
        4.34  2.54  0.00 peak 10007 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name    HN )
       ( resid   24 and name  HG2# )
        4.09  2.29  0.00 peak 10009 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name    HA )
       ( resid   25 and name    HN )
        3.71  1.91  0.00 peak 10010 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name    HB )
       ( resid   25 and name    HN )
        3.55  1.75  0.00 peak 10011 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HN )
       ( resid   25 and name    HA )
        4.34  2.54  0.00 peak 10012 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HN )
       ( resid   25 and name    HB )
        3.57  1.77  0.00 peak 10013 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name  HG2# )
       ( resid   25 and name    HN )
        4.57  2.77  0.00 peak 10014 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HB )
       ( resid   26 and name    HN )
        4.16  2.36  0.00 peak 10022 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name    HN )
       ( resid   27 and name    HN )
        4.00  2.20  0.00 peak 10026 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name    HN )
       ( resid   27 and name    HA )
        3.86  2.06  0.00 peak 10029 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name    HN )
       ( resid   30 and name    HN )
        4.64  2.84  0.00 peak 10038 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name    HN )
       ( resid   28 and name    HN )
        4.11  2.31  0.00 peak 10039 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name    HN )
       ( resid   28 and name    HA )
        4.10  2.30  0.00 peak 10040 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name    HA )
       ( resid   28 and name    HN )
        4.48  2.68  0.00 peak 10041 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HA )
       ( resid   28 and name    HN )
        4.59  2.79  0.00 peak 10042 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name    HN )
       ( resid   28 and name   HB2 )
        4.07  2.27  0.00 peak 10043 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name    HN )
       ( resid   28 and name   HB1 )
        3.98  2.18  0.00 peak 10044 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name    HN )
       ( resid   29 and name    HN )
        4.37  2.57  0.00 peak 10048 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HN )
       ( resid   30 and name    HN )
        4.08  2.28  0.00 peak 10049 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HE3 )
       ( resid   29 and name    HN )
        4.58  2.78  0.00 peak 10050 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HN )
       ( resid   29 and name    HA )
        4.52  2.72  0.00 peak 10051 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HB1 )
       ( resid   29 and name    HN )
        4.47  2.67  0.00 peak 10052 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HN )
       ( resid   29 and name    HG )
        3.89  2.09  0.00 peak 10053 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HN )
       ( resid   29 and name   HB1 )
        4.20  2.40  0.00 peak 10054 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HN )
       ( resid   29 and name   HB2 )
        4.33  2.53  0.00 peak 10055 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HN )
       ( resid   29 and name  HD1# )
        4.42  2.62  0.00 peak 10056 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HN )
       ( resid   29 and name  HD2# )
        4.48  2.68  0.00 peak 10057 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HN )
       ( resid   31 and name    HN )
        3.84  2.04  0.00 peak 10059 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   27 and name    HA )
       ( resid   30 and name    HN )
        4.40  2.60  0.00 peak 10060 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HN )
       ( resid   30 and name    HA )
        4.83  3.03  0.00 peak 10061 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HA )
       ( resid   30 and name    HN )
        4.75  2.95  0.00 peak 10062 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HN )
       ( resid   30 and name   HB2 )
        3.51  1.71  0.00 peak 10063 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name   HB1 )
       ( resid   30 and name    HN )
        4.63  2.83  0.00 peak 10064 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name   HB2 )
       ( resid   30 and name    HN )
        4.43  2.63  0.00 peak 10065 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HN )
       ( resid   32 and name  HG1* )
        4.47  2.67  0.00 peak 10066 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name  HD2# )
       ( resid   30 and name    HN )
        4.77  2.97  0.00 peak 10067 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name    HN )
       ( resid   32 and name    HN )
        4.00  2.20  0.00 peak 10069 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name    HN )
       ( resid   31 and name    HA )
        3.70  1.90  0.00 peak 10070 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name    HN )
       ( resid   31 and name   HB2 )
        3.39  1.59  0.00 peak 10071 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   74 and name    HN )
       ( resid   74 and name   HB1 )
        3.69  1.89  0.00 peak 10072 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   33 and name    HN )
        3.83  2.03  0.00 peak 10074 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   32 and name    HA )
        4.32  2.52  0.00 peak 10075 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   31 and name   HB2 )
       ( resid   32 and name    HN )
        4.41  2.61  0.00 peak 10076 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HA )
       ( resid   32 and name    HN )
        4.81  3.01  0.00 peak 10077 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   32 and name    HB )
        4.70  2.90  0.00 peak 10078 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   32 and name  HG1* )
        4.22  2.42  0.00 peak 10079 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   32 and name  HG1* )
        3.96  2.16  0.00 peak 10080 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   32 and name  HG2# )
        3.95  2.15  0.00 peak 10081 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   32 and name  HD1# )
        4.77  2.97  0.00 peak 10082 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HA )
       ( resid   33 and name    HN )
        4.26  2.46  0.00 peak 10084 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name    HN )
       ( resid   33 and name   HA2 )
        3.49  1.69  0.00 peak 10086 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HB )
       ( resid   33 and name    HN )
        4.65  2.85  0.00 peak 10087 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name  HG1* )
       ( resid   33 and name    HN )
        4.83  3.03  0.00 peak 10088 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name  HG1* )
       ( resid   33 and name    HN )
        4.54  2.74  0.00 peak 10089 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name  HG2# )
       ( resid   33 and name    HN )
        4.78  2.98  0.00 peak 10090 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   34 and name    HN )
        4.80  3.00  0.00 peak 10091 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HN )
       ( resid   34 and name    HA )
        4.45  2.65  0.00 peak 10092 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HA )
       ( resid   34 and name    HN )
        4.26  2.46  0.00 peak 10095 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HN )
       ( resid   35 and name   HD1 )
        4.59  2.79  0.00 peak 10096 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HN )
       ( resid   34 and name   HB2 )
        4.63  2.83  0.00 peak 10098 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HN )
       ( resid   34 and name   HB1 )
        3.89  2.09  0.00 peak 10099 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name  HG1* )
       ( resid   34 and name    HN )
        4.44  2.64  0.00 peak 10100 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HN )
       ( resid   34 and name  HD1# )
        4.55  2.75  0.00 peak 10101 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HN )
       ( resid   34 and name  HD2# )
        4.63  2.83  0.00 peak 10102 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   36 and name    HN )
       ( resid   38 and name    HN )
        4.71  2.91  0.00 peak 10103 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   36 and name    HN )
       ( resid   36 and name    HA )
        3.95  2.15  0.00 peak 10106 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   36 and name    HN )
       ( resid   37 and name    HN )
        3.83  2.03  0.00 peak 10111 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HN )
       ( resid   38 and name    HN )
        3.75  1.95  0.00 peak 10112 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HN )
       ( resid   37 and name   HD* )
        4.69  2.89  0.00 peak 10113 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HN )
       ( resid   37 and name    HA )
        4.66  2.86  0.00 peak 10114 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HN )
       ( resid   37 and name   HB2 )
        4.49  2.69  0.00 peak 10116 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HN )
       ( resid   37 and name   HB1 )
        3.76  1.96  0.00 peak 10117 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name  HD1# )
       ( resid   37 and name    HN )
        3.96  2.16  0.00 peak 10119 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HA )
       ( resid   38 and name    HN )
        4.54  2.74  0.00 peak 10123 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HN )
       ( resid   38 and name    HA )
        4.37  2.57  0.00 peak 10124 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name  HD1# )
       ( resid   38 and name    HN )
        4.24  2.44  0.00 peak 10126 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HN )
       ( resid   39 and name    HN )
        4.60  2.80  0.00 peak 10128 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name    HN )
       ( resid   39 and name    HA )
        4.60  2.80  0.00 peak 10129 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name    HN )
       ( resid   39 and name   HB2 )
        4.04  2.24  0.00 peak 10130 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name   HB1 )
       ( resid   39 and name    HN )
        3.96  2.16  0.00 peak 10131 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name    HN )
       ( resid   40 and name    HN )
        4.05  2.25  0.00 peak 10132 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name    HN )
       ( resid   41 and name    HN )
        3.85  2.05  0.00 peak 10133 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HA )
       ( resid   40 and name    HN )
        4.46  2.66  0.00 peak 10134 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name    HA )
       ( resid   40 and name    HN )
        4.56  2.76  0.00 peak 10136 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name    HN )
       ( resid   40 and name    HA )
        4.15  2.35  0.00 peak 10137 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name    HN )
       ( resid   40 and name   HB2 )
        4.00  2.20  0.00 peak 10138 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name   HB1 )
       ( resid   40 and name    HN )
        4.05  2.25  0.00 peak 10139 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HN )
       ( resid   42 and name    HN )
        4.25  2.45  0.00 peak 10144 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name    HN )
       ( resid   48 and name    HA )
        3.40  1.60  0.00 peak 10146 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HN )
       ( resid   51 and name    HA )
        4.28  2.48  0.00 peak 10147 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HN )
       ( resid   41 and name    HA )
        4.24  2.44  0.00 peak 10148 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HA )
       ( resid   51 and name    HN )
        4.30  2.50  0.00 peak 10149 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HN )
       ( resid   51 and name   HB1 )
        3.57  1.77  0.00 peak 10150 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HN )
       ( resid   51 and name   HB2 )
        3.43  1.63  0.00 peak 10151 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name    HN )
       ( resid   48 and name   HB1 )
        3.52  1.72  0.00 peak 10152 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HN )
       ( resid   41 and name   HB1 )
        3.25  1.45  0.00 peak 10154 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HN )
       ( resid   41 and name  HD1# )
        3.95  2.15  0.00 peak 10155 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HN )
       ( resid   42 and name    HA )
        4.18  2.38  0.00 peak 10158 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HN )
       ( resid   42 and name   HB2 )
        3.85  2.05  0.00 peak 10161 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name   HB1 )
       ( resid   42 and name    HN )
        4.35  2.55  0.00 peak 10162 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name    HN )
       ( resid   43 and name    HA )
        3.81  2.01  0.00 peak 10165 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name    HN )
       ( resid   43 and name   HB# )
        3.70  1.90  0.00 peak 10166 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name    HN )
       ( resid   44 and name    HN )
        3.93  2.13  0.00 peak 10168 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name    HN )
       ( resid   46 and name    HN )
        4.77  2.97  0.00 peak 10169 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name    HN )
       ( resid   44 and name    HA )
        4.81  3.01  0.00 peak 10171 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name    HA )
       ( resid   44 and name    HN )
        4.36  2.56  0.00 peak 10172 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name    HN )
       ( resid   44 and name   HB2 )
        4.35  2.55  0.00 peak 10173 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name    HN )
       ( resid   44 and name   HB1 )
        4.36  2.56  0.00 peak 10174 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name   HB# )
       ( resid   44 and name    HN )
        4.80  3.00  0.00 peak 10175 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   45 and name    HN )
       ( resid   46 and name    HN )
        3.60  1.80  0.00 peak 10177 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name    HN )
       ( resid   45 and name    HN )
        4.06  2.26  0.00 peak 10178 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name    HA )
       ( resid   45 and name    HN )
        3.92  2.12  0.00 peak 10179 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name    HA )
       ( resid   45 and name    HN )
        4.73  2.93  0.00 peak 10181 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   45 and name    HN )
       ( resid   45 and name   HA2 )
        4.46  2.66  0.00 peak 10183 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name   HB2 )
       ( resid   45 and name    HN )
        4.76  2.96  0.00 peak 10184 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name   HB1 )
       ( resid   45 and name    HN )
        4.57  2.77  0.00 peak 10185 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name   HB# )
       ( resid   45 and name    HN )
        4.86  3.06  0.00 peak 10186 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name    HN )
       ( resid   47 and name    HN )
        4.50  2.70  0.00 peak 10188 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   45 and name   HA2 )
       ( resid   46 and name    HN )
        4.28  2.48  0.00 peak 10189 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name    HN )
       ( resid   46 and name   HB1 )
        3.62  1.82  0.00 peak 10191 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name    HN )
       ( resid   47 and name   HB1 )
        4.01  2.21  0.00 peak 10196 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name    HN )
       ( resid   47 and name   HB2 )
        4.39  2.59  0.00 peak 10197 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HN )
       ( resid   49 and name    HA )
        4.56  2.76  0.00 peak 10199 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name   HB2 )
       ( resid   49 and name    HN )
        4.78  2.98  0.00 peak 10200 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HN )
       ( resid   49 and name    HB )
        4.11  2.31  0.00 peak 10201 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name  HG1# )
       ( resid   49 and name    HN )
        4.73  2.93  0.00 peak 10202 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HN )
       ( resid   49 and name  HG1# )
        4.51  2.71  0.00 peak 10203 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HN )
       ( resid   49 and name  HG2# )
        4.47  2.67  0.00 peak 10204 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HN )
       ( resid   50 and name    HN )
        3.97  2.17  0.00 peak 10205 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HN )
       ( resid   51 and name    HN )
        3.81  2.01  0.00 peak 10206 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HN )
       ( resid   50 and name    HA )
        3.91  2.11  0.00 peak 10207 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HA )
       ( resid   50 and name    HN )
        4.22  2.42  0.00 peak 10208 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name  HG1# )
       ( resid   50 and name    HN )
        4.45  2.65  0.00 peak 10210 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name  HG2# )
       ( resid   50 and name    HN )
        4.34  2.54  0.00 peak 10211 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   55 and name    HN )
       ( resid   55 and name    HA )
        4.05  2.25  0.00 peak 10213 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HA )
       ( resid   52 and name    HN )
        4.19  2.39  0.00 peak 10214 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HN )
       ( resid   52 and name    HA )
        3.91  2.11  0.00 peak 10215 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name   HB2 )
       ( resid   52 and name    HN )
        4.54  2.74  0.00 peak 10217 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HN )
       ( resid   54 and name    HN )
        4.25  2.45  0.00 peak 10220 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HA )
       ( resid   53 and name    HN )
        4.67  2.87  0.00 peak 10222 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HN )
       ( resid   83 and name   HB2 )
        4.74  2.94  0.00 peak 10225 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HN )
       ( resid   53 and name    HN )
        4.10  2.30  0.00 peak 10226 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name   HB1 )
       ( resid   52 and name    HN )
        4.08  2.28  0.00 peak 10230 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HN )
       ( resid   52 and name   HB2 )
        3.88  2.08  0.00 peak 10231 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   55 and name    HN )
       ( resid   56 and name    HN )
        4.15  2.35  0.00 peak 10233 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HN )
       ( resid   56 and name    HA )
        4.52  2.72  0.00 peak 10234 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HN )
       ( resid   56 and name    HB )
        4.70  2.90  0.00 peak 10236 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HN )
       ( resid   56 and name  HG1# )
        3.43  1.63  0.00 peak 10237 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   57 and name    HN )
       ( resid   58 and name    HN )
        3.90  2.10  0.00 peak 10238 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   57 and name    HN )
       ( resid   57 and name    HA )
        4.10  2.30  0.00 peak 10240 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HA )
       ( resid   57 and name    HN )
        3.79  1.99  0.00 peak 10241 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   57 and name    HN )
       ( resid   57 and name   HG2 )
        4.02  2.22  0.00 peak 10242 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   57 and name    HN )
       ( resid   57 and name   HG1 )
        3.48  1.68  0.00 peak 10243 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   57 and name    HA )
       ( resid   58 and name    HN )
        3.58  1.78  0.00 peak 10246 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   58 and name    HN )
       ( resid   58 and name   HB2 )
        4.16  2.36  0.00 peak 10248 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   58 and name    HA )
       ( resid   59 and name    HN )
        3.83  2.03  0.00 peak 10249 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HN )
       ( resid   59 and name    HA )
        3.99  2.19  0.00 peak 10250 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HN )
       ( resid   59 and name   HB1 )
        3.66  1.86  0.00 peak 10251 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   58 and name   HB1 )
       ( resid   59 and name    HN )
        3.64  1.84  0.00 peak 10252 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HA )
       ( resid   60 and name    HN )
        4.49  2.69  0.00 peak 10258 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HN )
       ( resid   60 and name    HA )
        3.80  2.00  0.00 peak 10259 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name   HB2 )
       ( resid   60 and name    HN )
        4.12  2.32  0.00 peak 10261 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HN )
       ( resid   60 and name   HB2 )
        3.49  1.69  0.00 peak 10262 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HN )
       ( resid   60 and name   HG1 )
        3.32  1.52  0.00 peak 10263 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HN )
       ( resid   61 and name    HN )
        3.74  1.94  0.00 peak 10265 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name    HN )
       ( resid   61 and name    HA )
        3.74  1.94  0.00 peak 10266 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HA )
       ( resid   61 and name    HN )
        4.70  2.90  0.00 peak 10267 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HA )
       ( resid   61 and name    HN )
        4.32  2.52  0.00 peak 10268 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name    HN )
       ( resid   61 and name   HB2 )
        3.69  1.89  0.00 peak 10269 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name    HN )
       ( resid   61 and name   HB1 )
        3.71  1.91  0.00 peak 10270 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name   HB2 )
       ( resid   61 and name    HN )
        3.75  1.95  0.00 peak 10272 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name    HN )
       ( resid   62 and name    HN )
        3.67  1.87  0.00 peak 10276 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HN )
       ( resid   62 and name    HA )
        4.27  2.47  0.00 peak 10277 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name    HA )
       ( resid   62 and name    HN )
        4.64  2.84  0.00 peak 10278 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name   HB2 )
       ( resid   62 and name    HN )
        4.54  2.74  0.00 peak 10279 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name   HB1 )
       ( resid   62 and name    HN )
        4.59  2.79  0.00 peak 10280 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HN )
       ( resid   62 and name   HB2 )
        4.01  2.21  0.00 peak 10282 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HN )
       ( resid   62 and name    HG )
        4.39  2.59  0.00 peak 10283 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HN )
       ( resid   62 and name   HB1 )
        4.56  2.76  0.00 peak 10284 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HN )
       ( resid   62 and name  HD1# )
        3.92  2.12  0.00 peak 10285 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HN )
       ( resid   62 and name  HD2# )
        4.30  2.50  0.00 peak 10286 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   64 and name    HN )
        4.00  2.20  0.00 peak 10287 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HN )
       ( resid   63 and name    HN )
        3.60  1.80  0.00 peak 10288 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name    HN )
       ( resid   63 and name    HN )
        4.67  2.87  0.00 peak 10289 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   73 and name   HD2 )
        4.77  2.97  0.00 peak 10291 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   73 and name   HD3 )
        4.58  2.78  0.00 peak 10292 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   64 and name   HB2 )
        4.63  2.83  0.00 peak 10293 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   63 and name   HB2 )
        4.07  2.27  0.00 peak 10294 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   63 and name   HB1 )
        3.64  1.84  0.00 peak 10295 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name  HD1# )
       ( resid   63 and name    HN )
        4.34  2.54  0.00 peak 10296 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name    HN )
       ( resid   64 and name    HA )
        4.72  2.92  0.00 peak 10299 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name    HN )
       ( resid   64 and name   HG2 )
        3.60  1.80  0.00 peak 10300 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name   HB1 )
       ( resid   64 and name    HN )
        4.00  2.20  0.00 peak 10301 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name    HN )
       ( resid   65 and name    HN )
        4.19  2.39  0.00 peak 10303 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HN )
       ( resid   66 and name    HN )
        3.61  1.81  0.00 peak 10304 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HN )
       ( resid   65 and name    HA )
        3.95  2.15  0.00 peak 10305 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name    HA )
       ( resid   65 and name    HN )
        4.17  2.37  0.00 peak 10306 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HN )
       ( resid   65 and name    HB )
        4.43  2.63  0.00 peak 10307 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name   HB2 )
       ( resid   65 and name    HN )
        4.32  2.52  0.00 peak 10308 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HN )
       ( resid   65 and name  HG1* )
        4.12  2.32  0.00 peak 10309 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HN )
       ( resid   65 and name  HG1* )
        4.28  2.48  0.00 peak 10310 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HN )
       ( resid   65 and name  HG2# )
        3.68  1.88  0.00 peak 10311 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HN )
       ( resid   65 and name  HD1# )
        3.97  2.17  0.00 peak 10312 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HA )
       ( resid   66 and name    HN )
        3.67  1.87  0.00 peak 10314 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name    HA )
       ( resid   66 and name    HN )
        4.33  2.53  0.00 peak 10315 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   66 and name    HN )
       ( resid   66 and name   HA2 )
        3.46  1.66  0.00 peak 10316 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HB )
       ( resid   66 and name    HN )
        4.71  2.91  0.00 peak 10317 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name  HG1* )
       ( resid   66 and name    HN )
        4.42  2.62  0.00 peak 10318 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name  HG1* )
       ( resid   66 and name    HN )
        4.67  2.87  0.00 peak 10319 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name  HG2# )
       ( resid   66 and name    HN )
        4.43  2.63  0.00 peak 10320 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   79 and name    HN )
       ( resid   80 and name    HN )
        3.74  1.94  0.00 peak 10322 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   79 and name    HN )
       ( resid   79 and name    HA )
        3.72  1.92  0.00 peak 10324 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HA )
       ( resid   67 and name    HN )
        3.76  1.96  0.00 peak 10325 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   79 and name    HN )
       ( resid   79 and name   HB# )
        3.16  1.36  0.00 peak 10327 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HN )
       ( resid   67 and name    HB )
        3.84  2.04  0.00 peak 10328 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HN )
       ( resid   67 and name  HG1* )
        4.07  2.27  0.00 peak 10329 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HN )
       ( resid   67 and name  HG1* )
        4.03  2.23  0.00 peak 10331 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HA )
       ( resid   68 and name    HN )
        3.79  1.99  0.00 peak 10334 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HN )
       ( resid   68 and name   HB1 )
        3.83  2.03  0.00 peak 10335 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HN )
       ( resid   68 and name  HD1# )
        4.52  2.72  0.00 peak 10336 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HN )
       ( resid   68 and name    HG )
        4.30  2.50  0.00 peak 10337 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name  HG2# )
       ( resid   68 and name    HN )
        4.09  2.29  0.00 peak 10338 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   71 and name    HN )
       ( resid   72 and name    HN )
        4.22  2.42  0.00 peak 10339 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   72 and name    HN )
       ( resid   72 and name   HB2 )
        3.91  2.11  0.00 peak 10344 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name    HN )
       ( resid   73 and name    HA )
        4.59  2.79  0.00 peak 10346 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   72 and name   HB2 )
       ( resid   73 and name    HN )
        4.52  2.72  0.00 peak 10348 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name    HN )
       ( resid   73 and name   HB2 )
        4.16  2.36  0.00 peak 10349 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name    HN )
       ( resid   73 and name   HG1 )
        4.18  2.38  0.00 peak 10353 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name  HG2# )
       ( resid   73 and name    HN )
        4.69  2.89  0.00 peak 10354 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name    HN )
       ( resid   77 and name    HN )
        3.80  2.00  0.00 peak 10355 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   75 and name    HA )
       ( resid   76 and name    HN )
        4.36  2.56  0.00 peak 10356 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name    HN )
       ( resid   76 and name  HG1* )
        3.83  2.03  0.00 peak 10358 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name    HN )
       ( resid   76 and name  HD1# )
        3.76  1.96  0.00 peak 10360 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   77 and name    HN )
       ( resid   77 and name    HA )
        4.49  2.69  0.00 peak 10362 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   77 and name    HN )
       ( resid   77 and name   HB1 )
        3.83  2.03  0.00 peak 10365 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   78 and name    HN )
       ( resid   79 and name    HN )
        3.51  1.71  0.00 peak 10367 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   77 and name    HA )
       ( resid   78 and name    HN )
        3.51  1.71  0.00 peak 10368 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   78 and name    HN )
       ( resid   78 and name   HG2 )
        3.85  2.05  0.00 peak 10369 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   77 and name   HB2 )
       ( resid   78 and name    HN )
        3.84  2.04  0.00 peak 10371 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   77 and name   HB1 )
       ( resid   78 and name    HN )
        4.21  2.41  0.00 peak 10372 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   75 and name    HA )
       ( resid   79 and name    HN )
        4.25  2.45  0.00 peak 10374 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   78 and name   HB2 )
       ( resid   79 and name    HN )
        4.11  2.31  0.00 peak 10375 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   78 and name    HN )
       ( resid   80 and name    HN )
        4.80  3.00  0.00 peak 10377 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HN )
       ( resid   81 and name    HN )
        3.97  2.17  0.00 peak 10379 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HH2 )
       ( resid   80 and name    HN )
        4.72  2.92  0.00 peak 10380 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   77 and name    HA )
       ( resid   80 and name    HN )
        4.60  2.80  0.00 peak 10381 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HN )
       ( resid   80 and name    HA )
        4.04  2.24  0.00 peak 10382 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HN )
       ( resid   80 and name    HB )
        3.56  1.76  0.00 peak 10383 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   79 and name   HB# )
       ( resid   80 and name    HN )
        4.55  2.75  0.00 peak 10384 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HN )
       ( resid   80 and name  HG2# )
        4.09  2.29  0.00 peak 10385 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   81 and name    HN )
       ( resid   81 and name    HA )
        4.10  2.30  0.00 peak 10389 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   81 and name    HN )
       ( resid   81 and name   HG2 )
        3.79  1.99  0.00 peak 10390 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   81 and name    HN )
       ( resid   81 and name   HB1 )
        4.24  2.44  0.00 peak 10391 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name  HG2# )
       ( resid   81 and name    HN )
        4.84  3.04  0.00 peak 10393 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   81 and name    HN )
       ( resid   82 and name    HN )
        3.65  1.85  0.00 peak 10394 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   82 and name    HN )
       ( resid   82 and name    HA )
        3.89  2.09  0.00 peak 10395 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   81 and name    HA )
       ( resid   82 and name    HN )
        4.07  2.27  0.00 peak 10397 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   81 and name   HB2 )
       ( resid   82 and name    HN )
        3.65  1.85  0.00 peak 10398 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   82 and name    HN )
       ( resid   82 and name   HB2 )
        3.32  1.52  0.00 peak 10399 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   82 and name    HN )
       ( resid   82 and name  HD2# )
        3.77  1.97  0.00 peak 10400 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   83 and name    HN )
       ( resid   83 and name    HA )
        4.18  2.38  0.00 peak 10401 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   81 and name    HA )
       ( resid   83 and name    HN )
        4.65  2.85  0.00 peak 10402 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HA )
       ( resid   83 and name    HN )
        4.03  2.23  0.00 peak 10403 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   83 and name    HN )
       ( resid   83 and name   HB2 )
        3.09  1.29  0.00 peak 10404 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   83 and name    HN )
       ( resid   83 and name   HB1 )
        4.83  3.03  0.00 peak 10405 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   83 and name    HN )
       ( resid   83 and name  HD2# )
        3.84  2.04  0.00 peak 10407 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name   HG2 )
       ( resid   43 and name    HN )
        5.00  3.20  0.00 peak 10409 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name   HB2 )
       ( resid   43 and name    HN )
        3.79  1.99  0.00 peak 10411 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   55 and name    HN )
       ( resid   80 and name  HD1# )
        4.84  3.04  0.00 peak 10413 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HN )
       ( resid   83 and name  HD1# )
        4.89  3.09  0.00 peak 10414 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   58 and name    HN )
       ( resid   61 and name   HB2 )
        4.66  2.86  0.00 peak 10416 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   58 and name    HN )
       ( resid   61 and name   HB1 )
        4.85  3.05  0.00 peak 10417 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   58 and name    HN )
       ( resid   61 and name    HN )
        4.97  3.17  0.00 peak 10418 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HN )
       ( resid   67 and name    HN )
        4.73  2.93  0.00 peak 10419 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   66 and name   HA2 )
       ( resid   67 and name    HN )
        4.79  2.99  0.00 peak 10420 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   72 and name   HB1 )
       ( resid   73 and name    HN )
        4.78  2.98  0.00 peak 10422 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name  HD1# )
       ( resid   74 and name    HN )
        4.48  2.68  0.00 peak 10424 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   74 and name   HB1 )
       ( resid   75 and name    HN )
        4.06  2.26  0.00 peak 10427 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   75 and name    HN )
       ( resid   75 and name   HB2 )
        3.40  1.60  0.00 peak 10428 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name  HD1# )
       ( resid   75 and name    HN )
        4.75  2.95  0.00 peak 10429 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name  HG2# )
       ( resid   25 and name    HN )
        4.42  2.62  0.00 peak 20001 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   24 and name    HN )
       ( resid   24 and name  HG2# )
        3.77  1.97  0.00 peak 20002 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HN )
       ( resid   25 and name    HA )
        4.07  2.27  0.00 peak 20003 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HA )
       ( resid   28 and name   HE3 )
        4.22  2.42  0.00 peak 20004 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HA )
       ( resid   25 and name    HB )
        4.02  2.22  0.00 peak 20005 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HA )
       ( resid   25 and name  HG1# )
        3.40  1.60  0.00 peak 20007 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HA )
       ( resid   49 and name  HG1# )
        3.72  1.92  0.00 peak 20008 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HN )
       ( resid   25 and name    HB )
        3.80  2.00  0.00 peak 20010 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   57 and name    HN )
       ( resid   57 and name   HG2 )
        4.17  2.37  0.00 peak 20015 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name  HG1# )
       ( resid   48 and name    HN )
        4.53  2.73  0.00 peak 20018 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HB )
       ( resid   25 and name  HG1# )
        3.32  1.52  0.00 peak 20020 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name  HG1# )
       ( resid   49 and name  HG1# )
        3.46  1.66  0.00 peak 20022 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HN )
       ( resid   25 and name  HG2# )
        4.12  2.32  0.00 peak 20024 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HA )
       ( resid   25 and name  HG2# )
        3.83  2.03  0.00 peak 20026 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HB )
       ( resid   25 and name  HG2# )
        3.38  1.58  0.00 peak 20027 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name    HA )
       ( resid   31 and name    HN )
        4.39  2.59  0.00 peak 20030 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name    HN )
       ( resid   28 and name   HB2 )
        4.31  2.51  0.00 peak 20031 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name    HN )
       ( resid   28 and name   HB1 )
        4.14  2.34  0.00 peak 20032 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HB1 )
       ( resid   28 and name   HE3 )
        4.53  2.73  0.00 peak 20033 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HB2 )
       ( resid   28 and name   HE3 )
        4.39  2.59  0.00 peak 20034 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HN )
       ( resid   29 and name   HB1 )
        4.22  2.42  0.00 peak 20036 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HN )
       ( resid   29 and name   HB2 )
        4.44  2.64  0.00 peak 20037 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name   HB2 )
       ( resid   29 and name  HD1# )
        3.82  2.02  0.00 peak 20040 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name   HB1 )
       ( resid   29 and name  HD1# )
        3.80  2.00  0.00 peak 20042 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HN )
       ( resid   29 and name  HD1# )
        3.85  2.05  0.00 peak 20044 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HE3 )
       ( resid   29 and name  HD1# )
        3.73  1.93  0.00 peak 20045 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name  HD1# )
       ( resid   38 and name    HA )
        3.48  1.68  0.00 peak 20047 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HA )
       ( resid   32 and name  HG1* )
        4.10  2.30  0.00 peak 20048 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HG )
       ( resid   29 and name  HD1# )
        3.00  1.20  0.00 peak 20050 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HN )
       ( resid   29 and name  HD2# )
        4.20  2.40  0.00 peak 20052 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HE3 )
       ( resid   29 and name  HD2# )
        4.06  2.26  0.00 peak 20053 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HZ3 )
       ( resid   29 and name  HD2# )
        3.90  2.10  0.00 peak 20054 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HA )
       ( resid   29 and name  HD2# )
        3.29  1.49  0.00 peak 20055 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name  HD2# )
       ( resid   37 and name   HB1 )
        4.25  2.45  0.00 peak 20056 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HG )
       ( resid   29 and name  HD2# )
        3.30  1.50  0.00 peak 20057 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name   HB1 )
       ( resid   29 and name  HD2# )
        3.61  1.81  0.00 peak 20058 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name   HB2 )
       ( resid   29 and name  HD2# )
        3.71  1.91  0.00 peak 20059 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name  HD2# )
       ( resid   32 and name  HD1# )
        3.56  1.76  0.00 peak 20061 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   30 and name    HA )
       ( resid   30 and name   HB2 )
        3.43  1.63  0.00 peak 20062 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   78 and name    HN )
       ( resid   78 and name   HB2 )
        3.73  1.93  0.00 peak 20064 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   78 and name   HB2 )
       ( resid   79 and name    HN )
        4.19  2.39  0.00 peak 20065 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HA )
       ( resid   32 and name    HB )
        4.00  2.20  0.00 peak 20067 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HA )
       ( resid   32 and name  HG2# )
        4.23  2.43  0.00 peak 20068 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HB )
       ( resid   32 and name  HD1# )
        3.81  2.01  0.00 peak 20070 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   32 and name  HG1* )
        4.29  2.49  0.00 peak 20071 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   32 and name  HG1* )
        4.27  2.47  0.00 peak 20072 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name   HG1 )
       ( resid   73 and name   HD2 )
        4.14  2.34  0.00 peak 20073 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HA )
       ( resid   32 and name  HG1* )
        4.21  2.41  0.00 peak 20074 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name  HG1* )
       ( resid   32 and name  HD1# )
        3.95  2.15  0.00 peak 20078 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   32 and name  HG2# )
        3.65  1.85  0.00 peak 20080 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HA )
       ( resid   32 and name  HG2# )
        4.47  2.67  0.00 peak 20082 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HB )
       ( resid   32 and name  HG2# )
        3.07  1.27  0.00 peak 20083 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name  HG2# )
       ( resid   32 and name  HG1* )
        3.67  1.87  0.00 peak 20084 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name  HG2# )
       ( resid   32 and name  HG1* )
        3.56  1.76  0.00 peak 20085 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name  HG2# )
       ( resid   32 and name  HD1# )
        3.12  1.32  0.00 peak 20086 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name    HN )
       ( resid   32 and name  HD1# )
        3.86  2.06  0.00 peak 20087 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name  HD1# )
       ( resid   76 and name  HG1* )
        3.09  1.29  0.00 peak 20089 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name  HG1* )
       ( resid   32 and name  HD1# )
        3.12  1.32  0.00 peak 20091 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   33 and name    HN )
       ( resid   33 and name   HA2 )
        3.98  2.18  0.00 peak 20094 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HB2 )
       ( resid   37 and name   HD* )
        4.29  2.49  0.00 peak 20095 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HB1 )
       ( resid   37 and name   HD* )
        4.52  2.72  0.00 peak 20096 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HB1 )
       ( resid   34 and name  HD1# )
        3.95  2.15  0.00 peak 20098 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HB1 )
       ( resid   34 and name  HD2# )
        4.52  2.72  0.00 peak 20099 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name  HD1# )
       ( resid   37 and name   HE* )
        4.20  2.40  0.00 peak 20105 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name  HD1# )
       ( resid   37 and name   HD* )
        4.51  2.71  0.00 peak 20106 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name  HD1# )
       ( resid   72 and name   HB2 )
        4.50  2.70  0.00 peak 20107 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name  HD1# )
       ( resid   72 and name   HB1 )
        4.48  2.68  0.00 peak 20108 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name  HD1# )
       ( resid   76 and name  HG1* )
        3.54  1.74  0.00 peak 20109 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HB2 )
       ( resid   34 and name  HD1# )
        3.60  1.80  0.00 peak 20110 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HG )
       ( resid   34 and name  HD1# )
        3.36  1.56  0.00 peak 20111 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name  HD1# )
       ( resid   34 and name  HD2# )
        3.26  1.46  0.00 peak 20112 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name  HD2# )
       ( resid   37 and name   HE* )
        3.70  1.90  0.00 peak 20113 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HB2 )
       ( resid   34 and name  HD2# )
        4.18  2.38  0.00 peak 20114 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HG )
       ( resid   34 and name  HD2# )
        3.45  1.65  0.00 peak 20115 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   36 and name    HN )
       ( resid   36 and name   HB2 )
        4.34  2.54  0.00 peak 20117 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HN )
       ( resid   37 and name    HA )
        4.44  2.64  0.00 peak 20118 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HA )
       ( resid   37 and name   HD* )
        3.73  1.93  0.00 peak 20119 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HA )
       ( resid   37 and name   HB2 )
        4.05  2.25  0.00 peak 20120 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HA )
       ( resid   37 and name   HB1 )
        4.25  2.45  0.00 peak 20121 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HA )
       ( resid   38 and name    HN )
        4.70  2.90  0.00 peak 20123 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name  HD2# )
       ( resid   37 and name    HA )
        5.04  3.24  0.00 peak 20125 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name  HD2# )
       ( resid   37 and name   HD* )
        4.61  2.81  0.00 peak 20128 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HN )
       ( resid   37 and name   HB2 )
        4.58  2.78  0.00 peak 20130 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HD* )
       ( resid   37 and name   HB2 )
        4.13  2.33  0.00 peak 20131 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name    HN )
       ( resid   37 and name   HB1 )
        4.39  2.59  0.00 peak 20133 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HD* )
       ( resid   37 and name   HB1 )
        4.09  2.29  0.00 peak 20134 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name  HD1# )
       ( resid   37 and name   HB2 )
        4.45  2.65  0.00 peak 20136 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name  HD1# )
       ( resid   37 and name   HB1 )
        4.45  2.65  0.00 peak 20139 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HB1 )
       ( resid   67 and name  HD1# )
        4.57  2.77  0.00 peak 20141 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name    HN )
       ( resid   73 and name    HA )
        4.04  2.24  0.00 peak 20142 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name  HD1# )
       ( resid   73 and name    HA )
        3.48  1.68  0.00 peak 20143 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HN )
       ( resid   38 and name   HB1 )
        4.19  2.39  0.00 peak 20144 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HN )
       ( resid   38 and name   HB2 )
        4.18  2.38  0.00 peak 20145 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HN )
       ( resid   38 and name   HG2 )
        4.94  3.14  0.00 peak 20146 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   38 and name    HN )
       ( resid   38 and name   HG1 )
        4.93  3.13  0.00 peak 20147 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name    HA )
       ( resid   42 and name    HN )
        4.42  2.62  0.00 peak 20148 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name    HA )
       ( resid   42 and name   HB2 )
        4.17  2.37  0.00 peak 20149 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name    HN )
       ( resid   39 and name   HB2 )
        4.79  2.99  0.00 peak 20150 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name    HN )
       ( resid   39 and name   HB1 )
        4.64  2.84  0.00 peak 20151 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name   HB1 )
       ( resid   40 and name    HN )
        4.47  2.67  0.00 peak 20152 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name   HB2 )
       ( resid   40 and name    HN )
        4.58  2.78  0.00 peak 20153 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name    HA )
       ( resid   39 and name   HB2 )
        4.76  2.96  0.00 peak 20154 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   39 and name    HA )
       ( resid   39 and name   HB1 )
        4.80  3.00  0.00 peak 20155 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name    HN )
       ( resid   40 and name    HA )
        3.86  2.06  0.00 peak 20157 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name    HA )
       ( resid   41 and name    HN )
        4.58  2.78  0.00 peak 20158 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name    HA )
       ( resid   40 and name   HD2 )
        4.43  2.63  0.00 peak 20159 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HN )
       ( resid   41 and name    HA )
        4.77  2.97  0.00 peak 20163 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HA )
       ( resid   44 and name    HN )
        4.47  2.67  0.00 peak 20164 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HA )
       ( resid   44 and name   HB2 )
        4.64  2.84  0.00 peak 20165 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HA )
       ( resid   41 and name    HG )
        4.08  2.28  0.00 peak 20167 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HA )
       ( resid   65 and name  HD1# )
        3.78  1.98  0.00 peak 20168 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   77 and name   HB2 )
       ( resid   78 and name    HN )
        3.91  2.11  0.00 peak 20169 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HN )
       ( resid   41 and name   HB1 )
        4.74  2.94  0.00 peak 20170 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   83 and name    HN )
       ( resid   83 and name   HB2 )
        3.90  2.10  0.00 peak 20171 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HN )
       ( resid   41 and name    HG )
        4.25  2.45  0.00 peak 20172 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HN )
       ( resid   41 and name  HD1# )
        4.16  2.36  0.00 peak 20175 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HZ3 )
       ( resid   41 and name  HD1# )
        4.03  2.23  0.00 peak 20177 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HG )
       ( resid   41 and name  HD1# )
        3.41  1.61  0.00 peak 20179 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name  HD1# )
       ( resid   67 and name  HD1# )
        3.71  1.91  0.00 peak 20181 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HZ3 )
       ( resid   41 and name  HD2# )
        4.34  2.54  0.00 peak 20184 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name  HD2# )
       ( resid   46 and name   HB2 )
        4.03  2.23  0.00 peak 20186 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HG )
       ( resid   41 and name  HD2# )
        3.43  1.63  0.00 peak 20188 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HN )
       ( resid   42 and name   HB2 )
        4.15  2.35  0.00 peak 20193 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HN )
       ( resid   42 and name   HB1 )
        4.16  2.36  0.00 peak 20194 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   42 and name    HN )
       ( resid   42 and name   HE# )
        4.22  2.42  0.00 peak 20201 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name    HN )
       ( resid   43 and name    HA )
        4.05  2.25  0.00 peak 20203 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name    HA )
       ( resid   44 and name    HN )
        4.64  2.84  0.00 peak 20204 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name    HN )
       ( resid   43 and name   HB# )
        3.06  1.26  0.00 peak 20205 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name   HB# )
       ( resid   44 and name    HN )
        4.04  2.24  0.00 peak 20207 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   43 and name    HA )
       ( resid   43 and name   HB# )
        3.22  1.42  0.00 peak 20208 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name    HN )
       ( resid   44 and name   HB1 )
        3.90  2.10  0.00 peak 20211 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name    HN )
       ( resid   44 and name   HB2 )
        4.09  2.29  0.00 peak 20212 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name    HN )
       ( resid   46 and name   HB2 )
        4.73  2.93  0.00 peak 20215 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name    HN )
       ( resid   46 and name   HB1 )
        4.60  2.80  0.00 peak 20216 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name   HD* )
       ( resid   46 and name   HB2 )
        4.44  2.64  0.00 peak 20217 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name   HD* )
       ( resid   46 and name   HB1 )
        4.45  2.65  0.00 peak 20218 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name   HB2 )
       ( resid   46 and name   HB1 )
        4.63  2.83  0.00 peak 20221 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name  HD2# )
       ( resid   46 and name   HB1 )
        4.49  2.69  0.00 peak 20224 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name   HB1 )
       ( resid   48 and name  HD21 )
        4.97  3.17  0.00 peak 20225 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name   HB2 )
       ( resid   48 and name  HD21 )
        4.78  2.98  0.00 peak 20226 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HN )
       ( resid   49 and name    HA )
        4.70  2.90  0.00 peak 20227 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HA )
       ( resid   50 and name    HN )
        4.74  2.94  0.00 peak 20228 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HA )
       ( resid   52 and name    HN )
        4.83  3.03  0.00 peak 20229 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HA )
       ( resid   49 and name    HB )
        3.73  1.93  0.00 peak 20231 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name  HG1# )
       ( resid   49 and name    HA )
        4.81  3.01  0.00 peak 20232 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HN )
       ( resid   49 and name    HB )
        4.13  2.33  0.00 peak 20235 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HB )
       ( resid   50 and name    HN )
        4.33  2.53  0.00 peak 20236 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HN )
       ( resid   49 and name  HG1# )
        3.58  1.78  0.00 peak 20240 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name    HN )
       ( resid   49 and name  HG1# )
        4.76  2.96  0.00 peak 20241 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name  HG1# )
       ( resid   50 and name    HN )
        4.26  2.46  0.00 peak 20242 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HE3 )
       ( resid   49 and name  HG1# )
        4.42  2.62  0.00 peak 20243 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HD1 )
       ( resid   49 and name  HG1# )
        5.00  3.20  0.00 peak 20244 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HA )
       ( resid   49 and name  HG1# )
        3.70  1.90  0.00 peak 20246 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HB )
       ( resid   49 and name  HG1# )
        3.17  1.37  0.00 peak 20250 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HN )
       ( resid   49 and name  HG2# )
        4.25  2.45  0.00 peak 20253 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name  HG2# )
       ( resid   50 and name    HN )
        4.56  2.76  0.00 peak 20254 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HE3 )
       ( resid   49 and name  HG2# )
        4.80  3.00  0.00 peak 20255 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HD1 )
       ( resid   49 and name  HG2# )
        4.62  2.82  0.00 peak 20256 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name    HA )
       ( resid   49 and name  HG2# )
        4.37  2.57  0.00 peak 20257 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HA )
       ( resid   49 and name  HG2# )
        3.72  1.92  0.00 peak 20258 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HB1 )
       ( resid   49 and name  HG2# )
        4.65  2.85  0.00 peak 20259 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HB )
       ( resid   49 and name  HG2# )
        3.21  1.41  0.00 peak 20261 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   25 and name  HG1# )
       ( resid   49 and name  HG2# )
        3.91  2.11  0.00 peak 20262 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name  HG1# )
       ( resid   49 and name  HG2# )
        3.00  1.20  0.00 peak 20263 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HN )
       ( resid   50 and name   HB2 )
        4.43  2.63  0.00 peak 20264 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HN )
       ( resid   50 and name   HB1 )
        4.43  2.63  0.00 peak 20265 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name    HA )
       ( resid   50 and name   HB2 )
        4.35  2.55  0.00 peak 20266 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name   HB2 )
       ( resid   51 and name    HN )
        4.89  3.09  0.00 peak 20270 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name   HB1 )
       ( resid   51 and name    HN )
        5.05  3.25  0.00 peak 20271 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name   HG1 )
       ( resid   50 and name  HE21 )
        4.86  3.06  0.00 peak 20274 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   50 and name   HG2 )
       ( resid   50 and name  HE21 )
        4.75  2.95  0.00 peak 20275 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HA )
       ( resid   54 and name    HN )
        4.78  2.98  0.00 peak 20278 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HA )
       ( resid   51 and name   HD* )
        4.64  2.84  0.00 peak 20279 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HN )
       ( resid   51 and name   HB1 )
        4.29  2.49  0.00 peak 20280 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name   HD* )
       ( resid   51 and name   HB1 )
        4.38  2.58  0.00 peak 20281 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name    HN )
       ( resid   51 and name   HB2 )
        4.11  2.31  0.00 peak 20282 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   51 and name   HD* )
       ( resid   51 and name   HB2 )
        4.26  2.46  0.00 peak 20283 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   81 and name    HN )
       ( resid   81 and name    HA )
        3.53  1.73  0.00 peak 20285 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   81 and name    HA )
       ( resid   82 and name    HN )
        4.22  2.42  0.00 peak 20286 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   81 and name    HA )
       ( resid   81 and name   HG2 )
        3.58  1.78  0.00 peak 20288 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HA )
       ( resid   52 and name   HB1 )
        3.21  1.41  0.00 peak 20289 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name    HN )
       ( resid   53 and name   HA2 )
        4.42  2.62  0.00 peak 20295 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name   HA2 )
       ( resid   80 and name  HG2# )
        4.48  2.68  0.00 peak 20297 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   53 and name   HA2 )
       ( resid   83 and name  HD1# )
        4.97  3.17  0.00 peak 20298 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HA )
       ( resid   57 and name    HN )
        3.26  1.46  0.00 peak 20299 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HA )
       ( resid   56 and name    HB )
        3.84  2.04  0.00 peak 20300 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HA )
       ( resid   56 and name  HG2# )
        3.38  1.58  0.00 peak 20301 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HN )
       ( resid   56 and name    HB )
        4.61  2.81  0.00 peak 20302 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HN )
       ( resid   56 and name  HG1# )
        4.04  2.24  0.00 peak 20304 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HA )
       ( resid   56 and name  HG1# )
        3.71  1.91  0.00 peak 20306 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HB )
       ( resid   56 and name  HG2# )
        3.31  1.51  0.00 peak 20308 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   57 and name   HB2 )
       ( resid   58 and name    HN )
        4.46  2.66  0.00 peak 20310 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   57 and name    HN )
       ( resid   57 and name   HB2 )
        4.04  2.24  0.00 peak 20311 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   57 and name   HB1 )
       ( resid   80 and name  HD1# )
        4.13  2.33  0.00 peak 20313 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   58 and name   HB1 )
       ( resid   59 and name    HN )
        4.06  2.26  0.00 peak 20314 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HN )
       ( resid   59 and name    HA )
        4.16  2.36  0.00 peak 20316 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HA )
       ( resid   59 and name   HB1 )
        3.62  1.82  0.00 peak 20317 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HA )
       ( resid   62 and name  HD1# )
        3.49  1.69  0.00 peak 20318 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HN )
       ( resid   59 and name   HB1 )
        3.96  2.16  0.00 peak 20319 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   59 and name    HA )
       ( resid   59 and name   HB2 )
        4.20  2.40  0.00 peak 20322 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HN )
       ( resid   60 and name   HB2 )
        3.95  2.15  0.00 peak 20323 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HN )
       ( resid   60 and name   HB1 )
        4.05  2.25  0.00 peak 20324 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name   HB1 )
       ( resid   61 and name    HN )
        4.70  2.90  0.00 peak 20325 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name   HB2 )
       ( resid   61 and name    HN )
        4.94  3.14  0.00 peak 20326 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   58 and name    HN )
       ( resid   61 and name   HB2 )
        4.80  3.00  0.00 peak 20327 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   58 and name    HN )
       ( resid   61 and name   HB1 )
        4.95  3.15  0.00 peak 20328 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name    HN )
       ( resid   61 and name   HB1 )
        4.16  2.36  0.00 peak 20329 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   61 and name    HN )
       ( resid   61 and name   HB2 )
        4.09  2.29  0.00 peak 20330 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HA )
       ( resid   63 and name    HN )
        4.94  3.14  0.00 peak 20331 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HA )
       ( resid   62 and name    HG )
        4.02  2.22  0.00 peak 20333 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HA )
       ( resid   65 and name  HG1* )
        4.42  2.62  0.00 peak 20334 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HA )
       ( resid   62 and name   HB1 )
        4.37  2.57  0.00 peak 20335 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HA )
       ( resid   65 and name  HD1# )
        4.05  2.25  0.00 peak 20336 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HA )
       ( resid   67 and name  HG1* )
        4.95  3.15  0.00 peak 20338 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name  HD1# )
       ( resid   77 and name    HN )
        4.67  2.87  0.00 peak 20339 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HN )
       ( resid   62 and name  HD1# )
        4.76  2.96  0.00 peak 20341 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name  HD1# )
       ( resid   73 and name   HG2 )
        3.26  1.46  0.00 peak 20344 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name  HD1# )
       ( resid   67 and name  HG1* )
        4.40  2.60  0.00 peak 20345 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HN )
       ( resid   62 and name  HD2# )
        4.03  2.23  0.00 peak 20347 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HA )
       ( resid   62 and name  HD2# )
        3.51  1.71  0.00 peak 20348 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HG )
       ( resid   62 and name  HD2# )
        3.17  1.37  0.00 peak 20351 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name  HD2# )
       ( resid   67 and name  HG1* )
        3.31  1.51  0.00 peak 20353 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name   HB2 )
       ( resid   64 and name    HN )
        4.10  2.30  0.00 peak 20354 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   63 and name   HB2 )
        3.82  2.02  0.00 peak 20355 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name   HB1 )
       ( resid   64 and name    HN )
        4.49  2.69  0.00 peak 20356 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   63 and name   HB1 )
        3.85  2.05  0.00 peak 20357 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name   HD2 )
       ( resid   65 and name    HB )
        4.67  2.87  0.00 peak 20362 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HN )
       ( resid   65 and name    HB )
        4.68  2.88  0.00 peak 20363 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HB )
       ( resid   65 and name  HG1* )
        4.54  2.74  0.00 peak 20364 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HB )
       ( resid   65 and name  HG1* )
        4.10  2.30  0.00 peak 20365 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HB )
       ( resid   65 and name  HD1# )
        3.80  2.00  0.00 peak 20367 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HN )
       ( resid   65 and name  HG1* )
        4.33  2.53  0.00 peak 20369 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name   HD2 )
       ( resid   65 and name  HG2# )
        3.83  2.03  0.00 peak 20375 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HN )
       ( resid   65 and name  HG2# )
        3.63  1.83  0.00 peak 20376 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HA )
       ( resid   65 and name  HG2# )
        4.55  2.75  0.00 peak 20377 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name    HA )
       ( resid   65 and name  HG2# )
        4.86  3.06  0.00 peak 20378 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name   HB2 )
       ( resid   65 and name  HG2# )
        3.90  2.10  0.00 peak 20379 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   44 and name   HB1 )
       ( resid   65 and name  HG2# )
        4.08  2.28  0.00 peak 20380 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HB )
       ( resid   65 and name  HG2# )
        3.28  1.48  0.00 peak 20381 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name  HG2# )
       ( resid   65 and name  HG1* )
        3.76  1.96  0.00 peak 20382 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   41 and name    HN )
       ( resid   65 and name  HD1# )
        4.61  2.81  0.00 peak 20384 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HA )
       ( resid   68 and name    HN )
        3.54  1.74  0.00 peak 20388 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HA )
       ( resid   67 and name  HG1* )
        4.37  2.57  0.00 peak 20391 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HN )
       ( resid   67 and name    HB )
        3.99  2.19  0.00 peak 20393 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HN )
       ( resid   67 and name  HG1* )
        4.05  2.25  0.00 peak 20394 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HN )
       ( resid   67 and name  HG1* )
        4.50  2.70  0.00 peak 20395 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HA )
       ( resid   67 and name  HG1* )
        4.43  2.63  0.00 peak 20396 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HB )
       ( resid   67 and name  HG1* )
        4.32  2.52  0.00 peak 20397 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HB )
       ( resid   67 and name  HG1* )
        3.91  2.11  0.00 peak 20399 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name  HG2# )
       ( resid   68 and name    HN )
        4.18  2.38  0.00 peak 20401 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HE* )
       ( resid   67 and name  HG2# )
        4.14  2.34  0.00 peak 20402 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HA )
       ( resid   67 and name  HG2# )
        3.52  1.72  0.00 peak 20405 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name  HG2# )
       ( resid   72 and name   HB2 )
        4.00  2.20  0.00 peak 20406 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HB )
       ( resid   67 and name  HG2# )
        3.28  1.48  0.00 peak 20409 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name  HG2# )
       ( resid   67 and name  HG1* )
        3.65  1.85  0.00 peak 20410 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HN )
       ( resid   67 and name  HD1# )
        3.97  2.17  0.00 peak 20413 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HE* )
       ( resid   67 and name  HD1# )
        4.94  3.14  0.00 peak 20415 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HD* )
       ( resid   67 and name  HD1# )
        4.44  2.64  0.00 peak 20416 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   62 and name    HA )
       ( resid   67 and name  HD1# )
        4.76  2.96  0.00 peak 20417 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   67 and name    HA )
       ( resid   67 and name  HD1# )
        4.22  2.42  0.00 peak 20418 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HN )
       ( resid   68 and name    HA )
        4.95  3.15  0.00 peak 20426 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HA )
       ( resid   68 and name    HG )
        3.72  1.92  0.00 peak 20428 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HN )
       ( resid   68 and name   HB1 )
        4.22  2.42  0.00 peak 20429 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HN )
       ( resid   68 and name   HB2 )
        4.32  2.52  0.00 peak 20430 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HA )
       ( resid   68 and name   HB1 )
        4.05  2.25  0.00 peak 20431 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HA )
       ( resid   68 and name   HB2 )
        4.24  2.44  0.00 peak 20432 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name   HB2 )
       ( resid   68 and name  HD1# )
        4.17  2.37  0.00 peak 20434 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name   HB2 )
       ( resid   68 and name    HG )
        4.29  2.49  0.00 peak 20435 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HN )
       ( resid   68 and name  HD2# )
        4.39  2.59  0.00 peak 20437 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name    HA )
       ( resid   68 and name  HD2# )
        3.35  1.55  0.00 peak 20438 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   66 and name   HA2 )
       ( resid   68 and name  HD2# )
        4.48  2.68  0.00 peak 20439 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   68 and name   HB1 )
       ( resid   68 and name  HD2# )
        3.05  1.25  0.00 peak 20440 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   72 and name    HN )
       ( resid   72 and name   HB2 )
        4.70  2.90  0.00 peak 20441 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   72 and name    HN )
       ( resid   72 and name   HB1 )
        4.88  3.08  0.00 peak 20442 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HE* )
       ( resid   72 and name   HB1 )
        4.75  2.95  0.00 peak 20443 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name  HD2# )
       ( resid   72 and name   HB1 )
        4.73  2.93  0.00 peak 20445 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name  HD2# )
       ( resid   72 and name   HB2 )
        4.83  3.03  0.00 peak 20446 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name    HA )
       ( resid   76 and name    HN )
        4.04  2.24  0.00 peak 20447 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HN )
       ( resid   80 and name  HG1* )
        4.10  2.30  0.00 peak 20448 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HH2 )
       ( resid   80 and name  HG1* )
        4.09  2.29  0.00 peak 20449 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name  HG2# )
       ( resid   80 and name  HG1* )
        3.30  1.50  0.00 peak 20450 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name   HB2 )
       ( resid   74 and name    HN )
        4.68  2.88  0.00 peak 20451 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   75 and name    HN )
       ( resid   75 and name    HA )
        4.01  2.21  0.00 peak 20452 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name    HB )
       ( resid   77 and name    HN )
        4.20  2.40  0.00 peak 20454 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name    HN )
       ( resid   76 and name    HB )
        3.76  1.96  0.00 peak 20455 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   73 and name    HA )
       ( resid   76 and name    HB )
        4.66  2.86  0.00 peak 20456 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name    HB )
       ( resid   76 and name  HD1# )
        3.56  1.76  0.00 peak 20459 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name    HN )
       ( resid   76 and name  HG1* )
        4.08  2.28  0.00 peak 20460 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name  HD1# )
       ( resid   76 and name  HG1* )
        4.46  2.66  0.00 peak 20463 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name  HG2# )
       ( resid   77 and name    HN )
        4.17  2.37  0.00 peak 20464 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HH2 )
       ( resid   76 and name  HG2# )
        3.42  1.62  0.00 peak 20466 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name    HB )
       ( resid   76 and name  HG2# )
        3.08  1.28  0.00 peak 20469 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name  HD1# )
       ( resid   77 and name    HN )
        4.99  3.19  0.00 peak 20470 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name    HN )
       ( resid   76 and name  HD1# )
        3.80  2.00  0.00 peak 20471 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HE* )
       ( resid   76 and name  HD1# )
        4.45  2.65  0.00 peak 20473 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HD* )
       ( resid   76 and name  HD1# )
        4.18  2.38  0.00 peak 20474 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   29 and name    HA )
       ( resid   76 and name  HD1# )
        3.87  2.07  0.00 peak 20476 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   37 and name   HB1 )
       ( resid   76 and name  HD1# )
        4.60  2.80  0.00 peak 20477 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name  HG1* )
       ( resid   76 and name  HD1# )
        2.84  1.04  0.00 peak 20478 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name  HG2# )
       ( resid   76 and name  HD1# )
        3.00  1.20  0.00 peak 20479 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   77 and name    HN )
       ( resid   77 and name   HB1 )
        3.84  2.04  0.00 peak 20481 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   74 and name    HA )
       ( resid   77 and name   HB1 )
        3.88  2.08  0.00 peak 20482 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   79 and name    HN )
       ( resid   79 and name    HA )
        4.02  2.22  0.00 peak 20490 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   79 and name    HA )
       ( resid   82 and name    HN )
        4.94  3.14  0.00 peak 20491 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   79 and name    HA )
       ( resid   79 and name   HB# )
        3.39  1.59  0.00 peak 20492 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HE1 )
       ( resid   79 and name   HB# )
        4.28  2.48  0.00 peak 20494 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   79 and name   HB# )
       ( resid   80 and name    HN )
        4.28  2.48  0.00 peak 20495 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   79 and name    HN )
       ( resid   79 and name   HB# )
        3.59  1.79  0.00 peak 20496 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HH2 )
       ( resid   79 and name   HB# )
        3.71  1.91  0.00 peak 20497 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   76 and name  HG2# )
       ( resid   79 and name   HB# )
        4.26  2.46  0.00 peak 20500 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HN )
       ( resid   80 and name    HA )
        4.03  2.23  0.00 peak 20503 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HA )
       ( resid   81 and name    HN )
        4.69  2.89  0.00 peak 20504 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HH2 )
       ( resid   80 and name    HA )
        4.16  2.36  0.00 peak 20506 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HA )
       ( resid   83 and name   HB2 )
        3.56  1.76  0.00 peak 20508 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HA )
       ( resid   80 and name  HG2# )
        3.38  1.58  0.00 peak 20509 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HA )
       ( resid   83 and name  HD1# )
        3.55  1.75  0.00 peak 20510 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HN )
       ( resid   80 and name    HB )
        3.70  1.90  0.00 peak 20511 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HB )
       ( resid   81 and name    HN )
        4.36  2.56  0.00 peak 20512 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HB )
       ( resid   80 and name  HG2# )
        3.40  1.60  0.00 peak 20514 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   80 and name    HN )
       ( resid   80 and name  HG2# )
        4.00  2.20  0.00 peak 20515 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   77 and name    HA )
       ( resid   80 and name  HD1# )
        4.35  2.55  0.00 peak 20521 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   82 and name    HN )
       ( resid   82 and name    HA )
        4.24  2.44  0.00 peak 20522 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   82 and name    HN )
       ( resid   82 and name  HD2# )
        4.14  2.34  0.00 peak 20527 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   82 and name    HA )
       ( resid   82 and name  HD2# )
        3.61  1.81  0.00 peak 20528 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   82 and name   HB2 )
       ( resid   82 and name  HD2# )
        2.90  1.10  0.00 peak 20529 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   83 and name    HN )
       ( resid   83 and name    HA )
        4.32  2.52  0.00 peak 20530 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   83 and name    HA )
       ( resid   83 and name   HB2 )
        4.21  2.41  0.00 peak 20533 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   83 and name    HA )
       ( resid   83 and name   HB1 )
        4.47  2.67  0.00 peak 20534 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HE1 )
       ( resid   83 and name  HD1# )
        5.01  3.21  0.00 peak 20536 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   83 and name   HB2 )
       ( resid   83 and name  HD1# )
        3.00  1.20  0.00 peak 20541 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   83 and name   HB1 )
       ( resid   83 and name  HD1# )
        3.79  1.99  0.00 peak 20542 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HE1 )
       ( resid   83 and name  HD2# )
        3.82  2.02  0.00 peak 20544 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HH2 )
       ( resid   83 and name  HD2# )
        4.66  2.86  0.00 peak 20547 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   83 and name   HB1 )
       ( resid   83 and name  HD2# )
        3.72  1.92  0.00 peak 20552 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name  HG2# )
       ( resid   58 and name    HN )
        4.96  3.16  0.00 peak 20553 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   56 and name    HB )
       ( resid   56 and name  HG1# )
        3.14  1.34  0.00 peak 20557 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name    HN )
       ( resid   40 and name   HB2 )
        4.92  3.12  0.00 peak 20562 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name   HB2 )
       ( resid   41 and name    HN )
        4.64  2.84  0.00 peak 20563 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   40 and name   HB2 )
       ( resid   67 and name  HD1# )
        5.02  3.22  0.00 peak 20566 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name   HD* )
       ( resid   52 and name   HE# )
        4.70  2.90  0.00 peak 20569 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HH2 )
       ( resid   52 and name   HE# )
        4.30  2.50  0.00 peak 20570 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name   HE* )
       ( resid   52 and name   HE# )
        4.87  3.07  0.00 peak 20571 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   46 and name   HB2 )
       ( resid   52 and name   HE# )
        4.38  2.58  0.00 peak 20575 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HN )
       ( resid   60 and name   HG1 )
        4.66  2.86  0.00 peak 20578 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name   HG1 )
       ( resid   61 and name    HN )
        5.03  3.23  0.00 peak 20579 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HA )
       ( resid   60 and name   HG1 )
        4.40  2.60  0.00 peak 20581 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name   HB1 )
       ( resid   60 and name   HG1 )
        3.28  1.48  0.00 peak 20582 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HN )
       ( resid   34 and name   HB2 )
        5.25  3.45  0.00 peak 20594 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name    HN )
       ( resid   34 and name   HB1 )
        5.46  3.66  0.00 peak 20595 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HG )
       ( resid   64 and name    HN )
        5.31  3.51  0.00 peak 20596 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   63 and name    HG )
        4.79  2.99  0.00 peak 20597 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HA )
       ( resid   63 and name    HG )
        4.68  2.88  0.00 peak 20598 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HB2 )
       ( resid   37 and name   HE* )
        4.99  3.19  0.00 peak 20600 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   34 and name   HB1 )
       ( resid   37 and name   HE* )
        5.33  3.53  0.00 peak 20601 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name  HD1# )
       ( resid   76 and name  HG2# )
        4.26  2.46  0.00 peak 20602 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   32 and name  HD1# )
       ( resid   33 and name    HN )
        5.04  3.24  0.00 peak 20607 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   28 and name   HE1 )
       ( resid   49 and name  HG2# )
        5.20  3.40  0.00 peak 20609 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   57 and name   HG2 )
       ( resid   80 and name  HD1# )
        4.90  3.10  0.00 peak 20617 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HN )
       ( resid   60 and name   HG2 )
        5.23  3.43  0.00 peak 20620 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name   HG2 )
       ( resid   61 and name    HN )
        5.01  3.21  0.00 peak 20622 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HN )
       ( resid   60 and name    HA )
        3.76  1.96  0.00 peak 20624 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HA )
       ( resid   63 and name    HN )
        4.22  2.42  0.00 peak 20625 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HA )
       ( resid   61 and name    HN )
        4.54  2.74  0.00 peak 20626 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HN )
       ( resid   52 and name   HB1 )
        4.42  2.62  0.00 peak 20634 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HN )
       ( resid   52 and name   HB2 )
        4.75  2.95  0.00 peak 20635 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name    HA )
       ( resid   52 and name   HB2 )
        5.28  3.48  0.00 peak 20637 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HA )
       ( resid   52 and name   HB1 )
        5.02  3.22  0.00 peak 20638 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   49 and name    HA )
       ( resid   52 and name   HB2 )
        5.15  3.35  0.00 peak 20639 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name   HB2 )
       ( resid   83 and name  HD1# )
        4.64  2.84  0.00 peak 20642 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   52 and name   HB1 )
       ( resid   83 and name  HD1# )
        4.76  2.96  0.00 peak 20643 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   74 and name    HA )
       ( resid   77 and name    HN )
        5.05  3.25  0.00 peak 20644 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   75 and name    HA )
       ( resid   75 and name   HB2 )
        3.80  2.00  0.00 peak 20645 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   54 and name   HB1 )
       ( resid   55 and name    HN )
        4.36  2.56  0.00 peak 20646 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   26 and name    HN )
       ( resid   26 and name   HA2 )
        4.93  3.13  0.00 peak 20649 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   47 and name    HN )
       ( resid   47 and name   HB2 )
        4.83  3.03  0.00 peak 20655 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   48 and name   HB1 )
       ( resid   51 and name    HN )
        4.51  2.71  0.00 peak 20656 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   23 and name    HA )
       ( resid   24 and name    HN )
        4.60  2.80  0.00 peak 20658 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   60 and name    HA )
       ( resid   63 and name   HB2 )
        4.57  2.77  0.00 peak 20663 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   63 and name    HN )
       ( resid   63 and name    HA )
        3.75  1.95  0.00 peak 20664 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   64 and name   HB1 )
       ( resid   65 and name    HN )
        4.60  2.80  0.00 peak 20665 volume 0.00 ppm1 0.000 ppm2 0.000

assign ( resid   65 and name    HA )
       ( resid   65 and name    HB )
        4.54  2.74  0.00 peak 20666 volume 0.00 ppm1 0.000 ppm2 0.000



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