NMR Restraints Grid |
Result table
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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