Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
588506 | 2mvh RC | 25268 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | simple |
assign ( resid 20 and name HD1# )
( resid 21 and name HN )
5.67 3.87 0.00 peak 3 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HN )
( resid 22 and name HN )
3.32 1.52 0.00 peak 1 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HN )
( resid 21 and name HN )
3.31 1.51 0.00 peak 2 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD2# )
( resid 21 and name HN )
5.67 3.87 0.00 peak 3 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HB2 )
( resid 21 and name HN )
4.11 2.31 0.00 peak 4 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HB1 )
( resid 21 and name HN )
3.46 1.66 0.00 peak 5 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 18 and name HB# )
( resid 21 and name HN )
5.54 3.74 0.00 peak 6 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HN )
( resid 21 and name HA# )
2.64 0.84 0.00 peak 7 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 18 and name HA )
( resid 21 and name HN )
3.89 2.09 0.00 peak 8 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HB1 )
( resid 21 and name HN )
6.00 4.20 0.00 peak 9 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HB2 )
( resid 21 and name HN )
5.83 4.03 0.00 peak 10 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HB1 )
( resid 13 and name HN )
3.89 2.09 0.00 peak 18 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HB2 )
( resid 13 and name HN )
3.89 2.09 0.00 peak 19 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 13 and name HN )
( resid 16 and name HB )
4.64 2.84 0.00 peak 21 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 13 and name HN )
( resid 15 and name HB )
5.30 3.50 0.00 peak 22 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HB2 )
( resid 13 and name HN )
5.00 3.20 0.00 peak 24 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HB1 )
( resid 13 and name HN )
5.29 3.49 0.00 peak 25 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 13 and name HN )
( resid 13 and name HA2 )
2.78 0.98 0.00 peak 27 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HA )
( resid 13 and name HN )
4.78 2.98 0.00 peak 28 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HN )
( resid 13 and name HN )
3.24 1.44 0.00 peak 30 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 13 and name HN )
( resid 14 and name HN )
3.28 1.48 0.00 peak 31 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 14 and name HN )
( resid 15 and name HN )
3.26 1.46 0.00 peak 32 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 14 and name HN )
( resid 15 and name HG1# )
5.94 4.14 0.00 peak 33 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 14 and name HN )
( resid 15 and name HD1# )
5.16 3.36 0.00 peak 36 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 14 and name HN )
( resid 16 and name HB )
5.79 3.99 0.00 peak 38 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 14 and name HN )
( resid 15 and name HB )
4.59 2.79 0.00 peak 39 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HB1 )
( resid 14 and name HN )
6.00 4.20 0.00 peak 45 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 13 and name HA1 )
( resid 14 and name HN )
3.57 1.77 0.00 peak 47 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 14 and name HN )
( resid 14 and name HA# )
2.59 0.79 0.00 peak 48 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HA )
( resid 14 and name HN )
4.19 2.39 0.00 peak 51 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 5 and name HN )
( resid 6 and name HD1# )
5.74 3.94 0.00 peak 52 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 5 and name HN )
( resid 5 and name HG2# )
3.80 2.00 0.00 peak 53 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HB1 )
( resid 5 and name HN )
4.05 2.25 0.00 peak 54 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HB2 )
( resid 5 and name HN )
4.05 2.25 0.00 peak 55 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 5 and name HN )
( resid 5 and name HB )
3.75 1.95 0.00 peak 56 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HD# )
( resid 5 and name HN )
4.43 2.63 0.00 peak 60 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HB1 )
( resid 22 and name HN )
5.09 3.29 0.00 peak 61 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 22 and name HN )
( resid 24 and name HG2 )
4.72 2.92 0.00 peak 62 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 22 and name HN )
( resid 22 and name HB# )
2.94 1.14 0.00 peak 63 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HA# )
( resid 22 and name HN )
3.04 1.24 0.00 peak 64 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HA )
( resid 22 and name HN )
3.86 2.06 0.00 peak 65 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HA )
( resid 22 and name HN )
3.62 1.82 0.00 peak 66 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 22 and name HN )
( resid 23 and name HB1 )
4.76 2.96 0.00 peak 69 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 22 and name HN )
( resid 23 and name HB2 )
6.00 4.20 0.00 peak 70 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 22 and name HN )
( resid 24 and name HD# )
6.00 4.20 0.00 peak 70 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 18 and name HB# )
( resid 19 and name HN )
3.13 1.33 0.00 peak 77 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HB2 )
( resid 20 and name HN )
3.85 2.05 0.00 peak 78 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HN )
( resid 20 and name HG )
2.98 1.18 0.00 peak 80 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HN )
( resid 19 and name HB2 )
3.58 1.78 0.00 peak 81 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HN )
( resid 19 and name HE# )
4.27 2.47 0.00 peak 83 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HG2 )
( resid 20 and name HN )
5.29 3.49 0.00 peak 84 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HG1 )
( resid 20 and name HN )
5.29 3.49 0.00 peak 85 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HN )
( resid 19 and name HG2 )
3.79 1.99 0.00 peak 86 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HN )
( resid 19 and name HG1 )
3.79 1.99 0.00 peak 87 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 17 and name HA )
( resid 20 and name HN )
4.16 2.36 0.00 peak 90 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HA )
( resid 20 and name HN )
4.55 2.75 0.00 peak 91 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HA )
( resid 19 and name HN )
4.24 2.44 0.00 peak 93 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HA )
( resid 19 and name HN )
3.79 1.99 0.00 peak 94 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HN )
( resid 12 and name HN )
3.82 2.02 0.00 peak 96 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HN )
( resid 11 and name HD# )
4.37 2.57 0.00 peak 97 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HA )
( resid 11 and name HN )
5.95 4.15 0.00 peak 100 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 9 and name HA )
( resid 11 and name HN )
6.00 4.20 0.00 peak 100 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HN )
( resid 11 and name HB1 )
3.53 1.73 0.00 peak 102 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HN )
( resid 11 and name HB2 )
3.49 1.69 0.00 peak 103 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 9 and name HB2 )
( resid 11 and name HN )
5.63 3.83 0.00 peak 104 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 9 and name HG2 )
( resid 11 and name HN )
4.62 2.82 0.00 peak 105 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 9 and name HD1 )
( resid 11 and name HN )
5.63 3.83 0.00 peak 107 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HB1 )
( resid 11 and name HN )
5.48 3.68 0.00 peak 109 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 17 and name HN )
( resid 18 and name HA )
5.00 3.20 0.00 peak 113 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 17 and name HN )
( resid 17 and name HD# )
4.47 2.67 0.00 peak 117 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HA )
( resid 17 and name HN )
5.77 3.97 0.00 peak 118 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HA )
( resid 17 and name HN )
5.16 3.36 0.00 peak 119 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HB )
( resid 17 and name HN )
3.87 2.07 0.00 peak 120 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 17 and name HN )
( resid 17 and name HB# )
3.03 1.23 0.00 peak 121 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 17 and name HN )
( resid 17 and name HG1 )
4.30 2.50 0.00 peak 122 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 17 and name HN )
( resid 17 and name HG2 )
4.30 2.50 0.00 peak 123 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HG2# )
( resid 17 and name HN )
4.19 2.39 0.00 peak 124 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HG1# )
( resid 17 and name HN )
4.19 2.39 0.00 peak 125 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 17 and name HN )
( resid 18 and name HB# )
4.56 2.76 0.00 peak 126 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 17 and name HN )
( resid 18 and name HN )
3.56 1.76 0.00 peak 130 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HB1 )
( resid 12 and name HN )
5.42 3.62 0.00 peak 136 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HN )
( resid 12 and name HB2 )
3.92 2.12 0.00 peak 137 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HN )
( resid 12 and name HB1 )
3.92 2.12 0.00 peak 138 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HB2 )
( resid 12 and name HN )
4.32 2.52 0.00 peak 139 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HD1# )
( resid 12 and name HN )
4.81 3.01 0.00 peak 140 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HD2# )
( resid 12 and name HN )
4.81 3.01 0.00 peak 140 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HN )
( resid 16 and name HN )
3.15 1.35 0.00 peak 141 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HN )
( resid 17 and name HN )
3.31 1.51 0.00 peak 142 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HA )
( resid 16 and name HN )
3.82 2.02 0.00 peak 143 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 14 and name HA# )
( resid 16 and name HN )
4.73 2.93 0.00 peak 144 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 13 and name HA1 )
( resid 16 and name HN )
5.21 3.41 0.00 peak 146 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HN )
( resid 16 and name HB )
2.91 1.11 0.00 peak 148 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HB )
( resid 16 and name HN )
3.17 1.37 0.00 peak 149 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HN )
( resid 17 and name HB# )
4.77 2.97 0.00 peak 150 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HG )
( resid 16 and name HN )
5.40 3.60 0.00 peak 152 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HG1# )
( resid 16 and name HN )
5.35 3.55 0.00 peak 153 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HG2# )
( resid 16 and name HN )
3.02 1.22 0.00 peak 155 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HD1# )
( resid 16 and name HN )
5.36 3.56 0.00 peak 156 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HA )
( resid 24 and name HN )
4.59 2.79 0.00 peak 158 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 23 and name HN )
( resid 23 and name HB2 )
3.57 1.77 0.00 peak 175 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 23 and name HN )
( resid 24 and name HG2 )
4.12 2.32 0.00 peak 177 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 23 and name HN )
( resid 23 and name HD# )
3.71 1.91 0.00 peak 182 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HB1 )
( resid 23 and name HN )
6.00 4.20 0.00 peak 183 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 3 and name HN )
( resid 4 and name HN )
4.39 2.59 0.00 peak 184 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 3 and name HN )
( resid 3 and name HD# )
4.98 3.18 0.00 peak 185 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 3 and name HN )
( resid 3 and name HB2 )
3.82 2.02 0.00 peak 188 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 3 and name HN )
( resid 3 and name HB1 )
3.82 2.02 0.00 peak 189 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 5 and name HA )
( resid 6 and name HN )
3.10 1.30 0.00 peak 193 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 6 and name HN )
( resid 6 and name HB )
3.39 1.59 0.00 peak 195 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 6 and name HN )
( resid 6 and name HG1# )
4.51 2.71 0.00 peak 196 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 5 and name HG2# )
( resid 6 and name HN )
3.98 2.18 0.00 peak 197 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 6 and name HN )
( resid 6 and name HG1# )
4.51 2.71 0.00 peak 197 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 17 and name HA )
( resid 18 and name HN )
3.30 1.50 0.00 peak 200 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HA )
( resid 18 and name HN )
3.49 1.69 0.00 peak 201 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HA )
( resid 18 and name HN )
4.64 2.84 0.00 peak 202 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 17 and name HB# )
( resid 18 and name HN )
2.95 1.15 0.00 peak 206 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 18 and name HN )
( resid 18 and name HB# )
2.61 0.81 0.00 peak 207 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HG2# )
( resid 18 and name HN )
4.54 2.74 0.00 peak 209 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HA# )
( resid 24 and name HN )
5.11 3.31 0.00 peak 211 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 23 and name HB2 )
( resid 24 and name HN )
3.66 1.86 0.00 peak 212 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 23 and name HB1 )
( resid 24 and name HN )
3.80 2.00 0.00 peak 213 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 24 and name HN )
( resid 24 and name HB1 )
3.72 1.92 0.00 peak 214 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 24 and name HN )
( resid 24 and name HG1 )
3.83 2.03 0.00 peak 215 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 24 and name HN )
( resid 24 and name HG2 )
3.97 2.17 0.00 peak 215 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HA )
( resid 23 and name HN )
5.02 3.22 0.00 peak 217 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HA# )
( resid 23 and name HN )
4.75 2.95 0.00 peak 218 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 23 and name HN )
( resid 23 and name HB1 )
3.20 1.40 0.00 peak 220 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 6 and name HN )
( resid 7 and name HN )
4.40 2.60 0.00 peak 222 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 18 and name HN )
( resid 19 and name HN )
3.02 1.22 0.00 peak 223 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HA )
( resid 15 and name HN )
5.22 3.42 0.00 peak 226 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 14 and name HA# )
( resid 15 and name HN )
3.24 1.44 0.00 peak 228 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HN )
( resid 16 and name HA )
5.64 3.84 0.00 peak 231 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HN )
( resid 16 and name HB )
4.89 3.09 0.00 peak 232 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HN )
( resid 15 and name HB )
3.07 1.27 0.00 peak 233 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HN )
( resid 18 and name HB# )
5.57 3.77 0.00 peak 235 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HN )
( resid 15 and name HG1# )
3.56 1.76 0.00 peak 236 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HN )
( resid 15 and name HG2# )
3.78 1.98 0.00 peak 238 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HN )
( resid 15 and name HD1# )
4.00 2.20 0.00 peak 239 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HN )
( resid 8 and name HA )
2.92 1.12 0.00 peak 241 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HN )
( resid 9 and name HD1 )
4.31 2.51 0.00 peak 243 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HN )
( resid 8 and name HB2 )
3.17 1.37 0.00 peak 245 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 6 and name HG2# )
( resid 8 and name HN )
3.61 1.81 0.00 peak 247 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 6 and name HB )
( resid 8 and name HN )
4.33 2.53 0.00 peak 249 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HN )
( resid 8 and name HG )
3.49 1.69 0.00 peak 250 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 7 and name HN )
( resid 8 and name HN )
4.22 2.42 0.00 peak 253 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 7 and name HN )
( resid 7 and name HB# )
3.13 1.33 0.00 peak 254 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 7 and name HN )
( resid 7 and name HD# )
3.53 1.73 0.00 peak 255 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 7 and name HN )
( resid 7 and name HG# )
3.49 1.69 0.00 peak 256 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 6 and name HG2# )
( resid 7 and name HN )
3.57 1.77 0.00 peak 259 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 6 and name HA )
( resid 7 and name HN )
2.86 1.06 0.00 peak 261 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 7 and name HN )
( resid 7 and name HE# )
6.00 4.20 0.00 peak 263 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 18 and name HB# )
( resid 20 and name HN )
5.12 3.32 0.00 peak 270 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HN )
( resid 14 and name HN )
5.73 3.93 0.00 peak 272 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HD# )
( resid 12 and name HN )
6.00 4.20 0.00 peak 273 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 6 and name HA )
( resid 8 and name HN )
5.44 3.64 0.00 peak 280 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 13 and name HN )
( resid 15 and name HN )
4.14 2.34 0.00 peak 281 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HN )
( resid 17 and name HN )
4.16 2.36 0.00 peak 282 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HN )
( resid 18 and name HN )
4.70 2.90 0.00 peak 283 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HA )
( resid 9 and name HD1 )
3.31 1.51 0.00 peak 1 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HB2 )
( resid 9 and name HD1 )
3.36 1.56 0.00 peak 4 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HB1 )
( resid 9 and name HD1 )
3.57 1.77 0.00 peak 5 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HA )
( resid 9 and name HD2 )
3.32 1.52 0.00 peak 7 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HB1 )
( resid 9 and name HD2 )
3.74 1.94 0.00 peak 13 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 14 and name HA# )
( resid 17 and name HB# )
3.49 1.69 0.00 peak 21 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HA# )
( resid 24 and name HD# )
5.47 3.67 0.00 peak 24 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HA# )
( resid 24 and name HG1 )
4.86 3.06 0.00 peak 25 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 21 and name HA# )
( resid 24 and name HG2 )
4.90 3.10 0.00 peak 25 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 14 and name HA# )
( resid 15 and name HG2# )
6.00 4.20 0.00 peak 26 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 23 and name HA )
( resid 23 and name HB1 )
2.98 1.18 0.00 peak 57 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HD1# )
( resid 11 and name HB1 )
4.93 3.13 0.00 peak 61 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HD2# )
( resid 11 and name HB1 )
4.93 3.13 0.00 peak 61 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HD1# )
( resid 11 and name HB2 )
4.64 2.84 0.00 peak 62 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HD2# )
( resid 11 and name HB2 )
4.64 2.84 0.00 peak 62 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HB1 )
( resid 6 and name HD1# )
4.46 2.66 0.00 peak 74 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HB1 )
( resid 8 and name HD2# )
3.52 1.72 0.00 peak 74 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HB2 )
( resid 11 and name HB2 )
6.00 4.20 0.00 peak 79 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HG )
( resid 11 and name HB2 )
6.00 4.20 0.00 peak 79 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HB1 )
( resid 11 and name HB2 )
5.92 4.12 0.00 peak 80 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HB1 )
( resid 11 and name HB1 )
5.53 3.73 0.00 peak 81 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HD# )
( resid 15 and name HB )
6.00 4.20 0.00 peak 82 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HA )
( resid 15 and name HB )
3.26 1.46 0.00 peak 83 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HG )
( resid 15 and name HB )
6.00 4.20 0.00 peak 91 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HA )
( resid 6 and name HB )
6.00 4.20 0.00 peak 93 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 6 and name HB )
( resid 8 and name HA )
6.00 4.20 0.00 peak 93 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 6 and name HB )
( resid 6 and name HD1# )
3.03 1.23 0.00 peak 97 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HD# )
( resid 12 and name HB2 )
5.66 3.86 0.00 peak 98 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HD# )
( resid 12 and name HB1 )
5.66 3.86 0.00 peak 99 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HB1 )
( resid 12 and name HD1# )
3.52 1.72 0.00 peak 102 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 17 and name HA )
( resid 20 and name HB1 )
4.09 2.29 0.00 peak 105 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HA )
( resid 19 and name HB2 )
4.81 3.01 0.00 peak 119 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HG2# )
( resid 19 and name HB2 )
4.93 3.13 0.00 peak 126 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HB2 )
( resid 20 and name HG )
4.98 3.18 0.00 peak 129 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HD2# )
( resid 9 and name HD1 )
4.95 3.15 0.00 peak 136 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HA )
( resid 16 and name HB )
4.38 2.58 0.00 peak 138 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HB )
( resid 17 and name HB# )
5.84 4.04 0.00 peak 140 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HB )
( resid 20 and name HG )
6.00 4.20 0.00 peak 140 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 24 and name HB1 )
( resid 24 and name HD# )
3.21 1.41 0.00 peak 145 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 17 and name HA )
( resid 17 and name HB# )
2.60 0.80 0.00 peak 147 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HG1# )
( resid 17 and name HB# )
5.51 3.71 0.00 peak 148 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 24 and name HB2 )
( resid 24 and name HG1 )
2.58 0.78 0.00 peak 149 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HA )
( resid 19 and name HG1 )
4.59 2.79 0.00 peak 157 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HG2# )
( resid 19 and name HG2 )
3.54 1.74 0.00 peak 159 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 18 and name HB# )
( resid 19 and name HG1 )
4.64 2.84 0.00 peak 161 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HG2# )
( resid 19 and name HG1 )
3.54 1.74 0.00 peak 162 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HA )
( resid 15 and name HG1# )
4.70 2.90 0.00 peak 172 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HA )
( resid 15 and name HG1# )
3.27 1.47 0.00 peak 173 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HG1# )
( resid 18 and name HB# )
4.24 2.44 0.00 peak 178 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HD# )
( resid 15 and name HG1# )
6.00 4.20 0.00 peak 185 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 9 and name HG1 )
( resid 11 and name HD# )
5.06 3.26 0.00 peak 189 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 17 and name HA )
( resid 17 and name HG1 )
3.70 1.90 0.00 peak 203 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HA )
( resid 20 and name HG )
3.40 1.60 0.00 peak 211 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 17 and name HA )
( resid 20 and name HG )
5.17 3.37 0.00 peak 212 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HG )
( resid 9 and name HD1 )
5.00 2.70 0.00 peak 215 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HB1 )
( resid 20 and name HG )
4.59 2.79 0.00 peak 217 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HA )
( resid 8 and name HD1# )
4.22 2.42 0.00 peak 232 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HD1# )
( resid 9 and name HD1 )
4.48 2.68 0.00 peak 233 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HA )
( resid 20 and name HD1# )
3.98 2.18 0.00 peak 234 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HB2 )
( resid 8 and name HD1# )
3.52 1.72 0.00 peak 242 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HD# )
( resid 8 and name HD1# )
5.36 3.56 0.00 peak 248 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HD# )
( resid 8 and name HD2# )
5.36 3.56 0.00 peak 250 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HB2 )
( resid 8 and name HD2# )
3.52 1.72 0.00 peak 260 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HA )
( resid 16 and name HG2# )
3.21 1.41 0.00 peak 265 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HG2# )
( resid 17 and name HB# )
5.51 3.71 0.00 peak 268 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HB1 )
( resid 16 and name HG2# )
3.52 1.72 0.00 peak 270 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HG2# )
( resid 19 and name HG2 )
5.16 3.36 0.00 peak 271 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HG2# )
( resid 19 and name HG1 )
5.16 3.36 0.00 peak 272 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HD# )
( resid 16 and name HG2# )
6.00 4.20 0.00 peak 273 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 3 and name HD# )
( resid 5 and name HG2# )
5.41 3.61 0.00 peak 276 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HD# )
( resid 5 and name HG2# )
4.37 2.57 0.00 peak 277 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HE# )
( resid 5 and name HG2# )
6.00 4.20 0.00 peak 278 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HG1# )
( resid 19 and name HG2 )
5.16 3.36 0.00 peak 288 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HG1# )
( resid 19 and name HG1 )
5.16 3.36 0.00 peak 289 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 6 and name HG2# )
( resid 11 and name HD# )
5.07 3.27 0.00 peak 296 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HD# )
( resid 6 and name HG2# )
6.00 4.20 0.00 peak 297 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HD# )
( resid 15 and name HG2# )
6.00 4.20 0.00 peak 299 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 6 and name HG2# )
( resid 8 and name HA )
4.79 2.99 0.00 peak 300 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 6 and name HA )
( resid 6 and name HG2# )
2.80 1.00 0.00 peak 301 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HA )
( resid 15 and name HG2# )
3.52 1.72 0.00 peak 303 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HA )
( resid 15 and name HG2# )
2.84 1.04 0.00 peak 304 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HG2# )
( resid 16 and name HA )
3.69 1.89 0.00 peak 305 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HG2# )
( resid 18 and name HB# )
3.55 1.75 0.00 peak 315 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 6 and name HG2# )
( resid 11 and name HB2 )
5.34 3.54 0.00 peak 317 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 6 and name HD1# )
( resid 11 and name HD# )
5.42 3.12 0.00 peak 318 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 3 and name HD# )
( resid 6 and name HD1# )
5.72 3.92 0.00 peak 319 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HD# )
( resid 6 and name HD1# )
4.86 3.06 0.00 peak 320 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HE# )
( resid 6 and name HD1# )
5.88 4.08 0.00 peak 321 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HD# )
( resid 15 and name HD1# )
3.21 1.41 0.00 peak 322 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HA )
( resid 6 and name HD1# )
4.35 2.55 0.00 peak 324 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 6 and name HA )
( resid 6 and name HD1# )
3.89 2.09 0.00 peak 325 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HA )
( resid 15 and name HD1# )
3.16 1.36 0.00 peak 326 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HB2 )
( resid 6 and name HD1# )
4.46 2.66 0.00 peak 328 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HB )
( resid 15 and name HD1# )
3.05 1.25 0.00 peak 333 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HA )
( resid 19 and name HE# )
4.95 3.15 0.00 peak 340 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HA )
( resid 19 and name HE# )
3.30 1.50 0.00 peak 341 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HA )
( resid 18 and name HB# )
2.87 1.07 0.00 peak 347 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HA )
( resid 18 and name HB# )
5.26 3.46 0.00 peak 348 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 17 and name HD# )
( resid 18 and name HB# )
6.00 4.20 0.00 peak 349 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 18 and name HB# )
( resid 19 and name HG2 )
4.64 2.84 0.00 peak 350 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 18 and name HB# )
( resid 19 and name HB2 )
4.63 2.83 0.00 peak 352 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 5 and name HB )
( resid 6 and name HD1# )
5.51 3.71 0.00 peak 358 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HA )
( resid 19 and name HG2 )
4.59 2.79 0.00 peak 359 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HA )
( resid 20 and name HG )
4.92 3.12 0.00 peak 364 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HA )
( resid 16 and name HG1# )
3.21 1.41 0.00 peak 367 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 18 and name HB# )
( resid 22 and name HB# )
5.61 3.81 0.00 peak 377 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 22 and name HB# )
( resid 23 and name HD# )
4.51 2.71 0.00 peak 380 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HB1 )
( resid 9 and name HA )
6.00 4.20 0.00 peak 381 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 5 and name HA )
( resid 5 and name HG2# )
3.38 1.58 0.00 peak 386 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 5 and name HA )
( resid 6 and name HD1# )
5.27 3.47 0.00 peak 387 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 17 and name HA )
( resid 17 and name HG2 )
3.70 1.90 0.00 peak 395 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 17 and name HA )
( resid 18 and name HA )
4.84 3.04 0.00 peak 397 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HA )
( resid 11 and name HD# )
3.42 1.62 0.00 peak 398 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 23 and name HA )
( resid 23 and name HD# )
3.00 1.20 0.00 peak 399 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 3 and name HA )
( resid 3 and name HD# )
3.81 2.01 0.00 peak 400 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HA )
( resid 4 and name HD# )
3.95 2.15 0.00 peak 401 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HA )
( resid 4 and name HE# )
5.89 4.09 0.00 peak 402 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HA )
( resid 12 and name HA )
5.45 3.65 0.00 peak 403 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HA )
( resid 11 and name HB1 )
2.84 1.04 0.00 peak 404 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HB1 )
( resid 11 and name HA )
6.00 4.20 0.00 peak 408 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HA )
( resid 19 and name HG2 )
3.78 1.98 0.00 peak 413 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HA )
( resid 19 and name HG1 )
3.78 1.98 0.00 peak 414 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 18 and name HB# )
( resid 19 and name HA )
4.78 2.98 0.00 peak 417 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HG2# )
( resid 19 and name HA )
5.58 3.78 0.00 peak 420 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HA )
( resid 19 and name HA )
4.94 3.14 0.00 peak 421 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HA )
( resid 22 and name HB# )
3.75 1.95 0.00 peak 422 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HD# )
( resid 10 and name HA )
5.63 3.83 0.00 peak 423 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HE# )
( resid 10 and name HA )
5.24 3.44 0.00 peak 424 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 23 and name HA )
( resid 23 and name HB2 )
2.95 1.15 0.00 peak 426 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 23 and name HA )
( resid 24 and name HG2 )
5.74 3.94 0.00 peak 435 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HA )
( resid 20 and name HD2# )
3.98 2.18 0.00 peak 438 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HA )
( resid 12 and name HG )
4.03 2.23 0.00 peak 440 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HA )
( resid 23 and name HD# )
4.14 2.34 0.00 peak 443 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HD# )
( resid 12 and name HA )
4.82 3.02 0.00 peak 444 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HB2 )
( resid 20 and name HA )
5.52 3.72 0.00 peak 445 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HB1 )
( resid 20 and name HA )
5.14 3.34 0.00 peak 446 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 17 and name HB# )
( resid 18 and name HA )
4.05 2.25 0.00 peak 452 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HG2# )
( resid 18 and name HA )
6.00 4.20 0.00 peak 454 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HD# )
( resid 16 and name HG1# )
6.00 4.20 0.00 peak 477 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HE# )
( resid 8 and name HD1# )
6.00 4.20 0.00 peak 479 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HE# )
( resid 8 and name HD2# )
6.00 4.20 0.00 peak 480 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 22 and name HB# )
( resid 23 and name HA )
4.11 2.31 0.00 peak 482 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HA )
( resid 23 and name HB2 )
5.60 3.80 0.00 peak 485 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HA )
( resid 21 and name HA# )
4.55 2.75 0.00 peak 487 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 18 and name HA )
( resid 21 and name HA# )
4.31 2.51 0.00 peak 491 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HA )
( resid 18 and name HA )
5.64 3.84 0.00 peak 492 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HB2 )
( resid 9 and name HD2 )
4.31 2.51 0.00 peak 494 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HA )
( resid 19 and name HE# )
5.41 3.61 0.00 peak 496 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HD1# )
( resid 13 and name HA1 )
6.00 4.20 0.00 peak 499 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HB1 )
( resid 15 and name HD1# )
6.00 4.20 0.00 peak 501 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HB )
( resid 17 and name HA )
6.00 4.20 0.00 peak 505 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 3 and name HN )
( resid 3 and name HB# )
3.24 1.44 0.00 peak 189 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HN )
( resid 4 and name HB# )
3.58 1.78 0.00 peak 179 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HA )
( resid 6 and name HG1# )
5.42 3.62 0.00 peak 184 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HB# )
( resid 5 and name HN )
3.54 1.74 0.00 peak 55 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HB# )
( resid 5 and name HB )
5.61 3.81 0.00 peak 355 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HB# )
( resid 5 and name HG2# )
5.11 3.31 0.00 peak 76 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HB# )
( resid 6 and name HB )
5.81 4.01 0.00 peak 94 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HB# )
( resid 6 and name HG2# )
4.37 2.57 0.00 peak 302 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HB# )
( resid 6 and name HG1# )
1.56 -0.24 0.00 peak 183 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HB# )
( resid 6 and name HD1# )
3.60 1.80 0.00 peak 328 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HB# )
( resid 8 and name HG )
5.56 3.76 0.00 peak 78 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HB# )
( resid 8 and name HD# )
1.56 -0.24 0.00 peak 260 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HB# )
( resid 10 and name HA )
5.81 4.01 0.00 peak 418 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 4 and name HD# )
( resid 6 and name HG1# )
5.81 4.01 0.00 peak 186 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 6 and name HN )
( resid 6 and name HG1# )
3.84 2.04 0.00 peak 197 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 6 and name HA )
( resid 6 and name HG1# )
3.01 1.21 0.00 peak 179 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 6 and name HG2# )
( resid 6 and name HG1# )
3.06 1.26 0.00 peak 310 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 6 and name HG1# )
( resid 7 and name HN )
4.69 2.89 0.00 peak 258 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 6 and name HG1# )
( resid 8 and name HN )
5.33 3.53 0.00 peak 279 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HB2 )
( resid 8 and name HD# )
2.67 0.87 0.00 peak 246 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HD# )
( resid 9 and name HA )
5.06 3.26 0.00 peak 385 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HD1# )
( resid 9 and name HD1 )
4.95 3.15 0.00 peak 262 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HD1# )
( resid 9 and name HB2 )
4.95 3.15 0.00 peak 262 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HD# )
( resid 9 and name HD2 )
3.84 2.04 0.00 peak 14 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HD# )
( resid 11 and name HN )
5.61 3.81 0.00 peak 111 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HD# )
( resid 11 and name HB1 )
4.32 2.52 0.00 peak 61 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HD# )
( resid 11 and name HB2 )
3.95 2.15 0.00 peak 62 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HD# )
( resid 12 and name HN )
4.04 2.24 0.00 peak 140 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 8 and name HD# )
( resid 13 and name HA1 )
4.67 2.87 0.00 peak 499 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HA )
( resid 12 and name HB# )
5.81 4.01 0.00 peak 408 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HD# )
( resid 12 and name HB# )
4.87 3.07 0.00 peak 99 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HD# )
( resid 12 and name HD# )
3.25 1.45 0.00 peak 249 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 11 and name HD# )
( resid 16 and name HG# )
5.25 3.45 0.00 peak 273 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HN )
( resid 12 and name HB# )
3.34 1.54 0.00 peak 137 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HA )
( resid 12 and name HD# )
3.25 1.45 0.00 peak 251 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HA )
( resid 16 and name HG# )
3.80 2.00 0.00 peak 264 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HB# )
( resid 13 and name HN )
3.23 1.43 0.00 peak 18 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HB# )
( resid 16 and name HG# )
1.57 -0.23 0.00 peak 270 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HB1 )
( resid 16 and name HG1# )
3.52 1.72 0.00 peak 270 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HD# )
( resid 13 and name HA1 )
5.88 4.08 0.00 peak 20 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 12 and name HD# )
( resid 16 and name HN )
5.04 3.24 0.00 peak 156 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 13 and name HN )
( resid 16 and name HG# )
4.64 2.84 0.00 peak 15 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 13 and name HA1 )
( resid 16 and name HG# )
4.13 2.33 0.00 peak 19 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 13 and name HA2 )
( resid 16 and name HG# )
4.18 2.38 0.00 peak 15 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 14 and name HN )
( resid 16 and name HG# )
5.75 3.95 0.00 peak 34 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HN )
( resid 16 and name HG# )
4.13 2.33 0.00 peak 237 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HA )
( resid 19 and name HG# )
5.48 3.68 0.00 peak 171 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HB )
( resid 16 and name HG# )
4.81 3.01 0.00 peak 90 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HG2# )
( resid 19 and name HG# )
3.03 1.23 0.00 peak 159 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 15 and name HD1# )
( resid 19 and name HG# )
5.81 4.01 0.00 peak 502 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HN )
( resid 16 and name HG# )
2.84 1.04 0.00 peak 154 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HA )
( resid 16 and name HG# )
2.48 0.68 0.00 peak 367 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HA )
( resid 19 and name HG# )
3.88 2.08 0.00 peak 359 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HG# )
( resid 17 and name HN )
3.64 1.84 0.00 peak 124 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HG# )
( resid 17 and name HA )
3.64 1.84 0.00 peak 285 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HG# )
( resid 17 and name HD# )
4.23 2.43 0.00 peak 27 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HG# )
( resid 18 and name HN )
5.92 4.12 0.00 peak 208 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HG# )
( resid 19 and name HN )
5.46 3.66 0.00 peak 76 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HG# )
( resid 19 and name HG# )
2.74 0.94 0.00 peak 271 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 16 and name HG# )
( resid 20 and name HG )
2.93 1.13 0.00 peak 292 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 17 and name HA )
( resid 17 and name HG# )
3.03 1.23 0.00 peak 395 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 17 and name HA )
( resid 20 and name HD# )
4.36 2.56 0.00 peak 396 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 17 and name HB# )
( resid 20 and name HD# )
5.92 4.12 0.00 peak 148 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 18 and name HN )
( resid 19 and name HG# )
5.33 3.53 0.00 peak 203 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 18 and name HB# )
( resid 19 and name HG# )
3.83 2.03 0.00 peak 350 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HN )
( resid 19 and name HG# )
3.18 1.38 0.00 peak 86 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HA )
( resid 19 and name HG# )
2.94 1.14 0.00 peak 414 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HA )
( resid 20 and name HD# )
5.83 4.03 0.00 peak 420 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HB1 )
( resid 20 and name HD# )
3.79 1.99 0.00 peak 127 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HB2 )
( resid 20 and name HD# )
5.12 3.32 0.00 peak 126 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HG# )
( resid 19 and name HE# )
3.50 1.70 0.00 peak 163 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HG# )
( resid 20 and name HN )
4.46 2.66 0.00 peak 85 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HG# )
( resid 20 and name HG )
5.46 3.66 0.00 peak 170 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 19 and name HG# )
( resid 21 and name HN )
5.73 3.93 0.00 peak 12 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HN )
( resid 20 and name HD# )
3.85 2.05 0.00 peak 74 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HA )
( resid 20 and name HD# )
2.54 0.74 0.00 peak 438 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HB1 )
( resid 20 and name HD# )
2.81 1.01 0.00 peak 107 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD# )
( resid 21 and name HN )
4.85 3.05 0.00 peak 3 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD# )
( resid 21 and name HA# )
5.92 4.12 0.00 peak 26 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD# )
( resid 22 and name HN )
5.75 3.95 0.00 peak 72 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD# )
( resid 23 and name HB2 )
5.36 3.56 0.00 peak 259 volume 0.00 ppm1 0.000 ppm2 0.000
assign ( resid 20 and name HD# )
( resid 23 and name HD# )
4.62 2.82 0.00 peak 258 volume 0.00 ppm1 0.000 ppm2 0.000