NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
551898 | 4b19 | 18590 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
assign ( resid 26 and name HE ) ( resid 26 and name HD3 ) 5.5 2.5 0.5 volume=0.021 peak=169 ppm1=7.270 ppm2=2.968 assign ( resid 26 and name H ) ( resid 26 and name HB2 ) 4.5 2.0 0.0 volume=0.040 peak=91 ppm1=7.929 ppm2=1.898 assign ( resid 26 and name HD2 ) ( resid 26 and name HB3 ) 5.5 2.5 0.5 volume=0.024 peak=132 ppm1=2.880 ppm2=1.778 assign ( resid 22 and name HD# ) ( resid 22 and name HA ) 4.5 2.0 0.0 volume=0.147 peak=183 ppm1=6.581 ppm2=4.141 assign ( resid 20 and name HD# ) ( resid 16 and name HB# ) 4.5 2.0 0.0 volume=0.056 peak=187 ppm1=7.577 ppm2=1.814 assign ( resid 17 and name HG2# ) ( resid 17 and name HA ) 3.2 1.5 0.1 volume=0.208 peak=186 ppm1=1.200 ppm2=4.031 assign ( resid 24 and name H ) ( resid 24 and name HB2 ) 3.2 1.5 0.1 volume=0.433 peak=106 ppm1=8.876 ppm2=1.835 assign ( resid 26 and name HB2 ) ( resid 26 and name HA ) 4.5 2.0 0.0 volume=0.116 peak=144 ppm1=1.897 ppm2=4.108 assign ( resid 23 and name H ) ( resid 23 and name HA ) 3.2 1.5 0.1 volume=0.232 peak=195 ppm1=8.404 ppm2=4.129 assign ( resid 7 and name HA ) ( resid 7 and name HG12 ) 4.5 2.0 0.0 volume=0.066 peak=32 ppm1=4.248 ppm2=1.395 assign ( resid 23 and name H ) ( resid 22 and name HB3 or resid 22 and name HB2 ) 4.5 2.0 0.0 volume=0.167 peak=74 ppm1=8.405 ppm2=3.211 assign ( resid 25 and name HA ) ( resid 26 and name HB3 ) 5.5 2.5 0.5 volume=0.016 peak=297 ppm1=4.265 ppm2=2.894 assign ( resid 13 and name H ) ( resid 13 and name HB3 ) 4.5 2.0 0.0 volume=0.078 peak=163 ppm1=8.512 ppm2=4.060 assign ( resid 25 and name H ) ( resid 24 and name H ) 4.5 2.0 0.0 volume=0.173 peak=30 ppm1=8.048 ppm2=8.876 assign ( resid 11 and name H ) ( resid 10 and name HD2 ) 5.5 2.5 0.5 volume=0.021 peak=222 ppm1=7.446 ppm2=3.809 assign ( resid 26 and name H ) ( resid 26 and name HB3 ) 4.5 2.0 0.0 volume=0.081 peak=75 ppm1=7.930 ppm2=1.791 assign ( resid 20 and name H ) ( resid 19 and name H ) 3.2 1.5 0.1 volume=0.321 peak=136 ppm1=9.109 ppm2=8.845 assign ( resid 7 and name HA ) ( resid 7 and name HG13 ) 4.5 2.0 0.0 volume=0.040 peak=36 ppm1=4.247 ppm2=1.818 assign ( resid 16 and name H ) ( resid 12 and name HG2# ) 5.5 2.5 0.5 volume=0.018 peak=142 ppm1=8.572 ppm2=1.143 assign ( resid 19 and name H ) ( resid 18 and name H ) 4.5 2.0 0.0 volume=0.168 peak=202 ppm1=8.839 ppm2=8.624 assign ( resid 13 and name HB3 ) ( resid 10 and name HA ) 6.0 0.0 6.0 volume=0.005 peak=209 ppm1=4.055 ppm2=4.489 assign ( resid 22 and name HE# ) ( resid 26 and name HG3 or resid 26 and name HG2 ) 4.5 2.0 0.0 volume=0.030 peak=118 ppm1=6.395 ppm2=1.440 assign ( resid 9 and name HA ) ( resid 9 and name HB# ) 3.2 1.5 0.1 volume=0.262 peak=58 ppm1=4.390 ppm2=1.662 assign ( resid 17 and name HB ) ( resid 17 and name HG12 ) 4.5 2.0 0.0 volume=0.095 peak=122 ppm1=2.220 ppm2=2.111 assign ( resid 5 and name HA ) ( resid 5 and name HB ) 4.5 2.0 0.0 volume=0.076 peak=273 ppm1=3.810 ppm2=2.281 assign ( resid 27 and name H ) ( resid 26 and name HA ) 4.5 2.0 0.0 volume=0.037 peak=95 ppm1=8.166 ppm2=4.107 assign ( resid 18 and name H ) ( resid 18 and name HA ) 3.2 1.5 0.1 volume=0.274 peak=11 ppm1=8.625 ppm2=4.296 assign ( resid 6 and name H ) ( resid 6 and name HA ) 4.5 2.0 0.0 volume=0.031 peak=220 ppm1=8.061 ppm2=4.531 assign ( resid 5 and name H ) ( resid 5 and name HA ) 4.5 2.0 0.0 volume=0.035 peak=240 ppm1=7.962 ppm2=3.813 assign ( resid 13 and name H ) ( resid 12 and name HG2# ) 4.5 2.0 0.0 volume=0.039 peak=103 ppm1=8.513 ppm2=1.139 assign ( resid 21 and name HB3 ) ( resid 30 and name HD3 ) 4.5 2.0 0.0 volume=0.078 peak=257 ppm1=4.127 ppm2=1.793 assign ( resid 2 and name H ) ( resid 2 and name HB3 ) 4.5 2.0 0.0 volume=0.031 peak=173 ppm1=9.112 ppm2=1.961 assign ( resid 8 and name H ) ( resid 8 and name HB ) 4.5 2.0 0.0 volume=0.062 peak=40 ppm1=7.863 ppm2=1.955 assign ( resid 8 and name HG12 ) ( resid 8 and name HG13 ) 2.5 0.8 0.2 volume=1.000 peak=100 ppm1=1.464 ppm2=1.652 assign ( resid 9 and name H ) ( resid 8 and name HD1# ) 5.5 2.5 0.5 volume=0.024 peak=300 ppm1=8.434 ppm2=1.055 assign ( resid 14 and name H ) ( resid 14 and name HA2 ) 4.5 2.0 0.0 volume=0.127 peak=198 ppm1=8.447 ppm2=4.092 assign ( resid 30 and name HG3 or resid 30 and name HD3 ) ( resid 30 and name HG2 or resid 30 and name HD3 ) 2.5 0.8 0.2 volume=1.031 peak=236 ppm1=1.789 ppm2=1.626 assign ( resid 16 and name H ) ( resid 16 and name HA ) 3.2 1.5 0.1 volume=0.301 peak=248 ppm1=8.567 ppm2=4.349 assign ( resid 25 and name HA ) ( resid 25 and name HB3 ) 3.2 1.5 0.1 volume=0.516 peak=266 ppm1=4.266 ppm2=4.080 assign ( resid 23 and name H ) ( resid 19 and name HA ) 5.5 2.5 0.5 volume=0.011 peak=281 ppm1=8.405 ppm2=4.436 assign ( resid 25 and name H ) ( resid 25 and name HA ) 4.5 2.0 0.0 volume=0.176 peak=192 ppm1=8.046 ppm2=4.264 assign ( resid 17 and name H ) ( resid 17 and name HB ) 3.2 1.5 0.1 volume=0.382 peak=15 ppm1=8.613 ppm2=2.214 assign ( resid 25 and name H ) ( resid 24 and name HA ) 5.5 2.5 0.5 volume=0.028 peak=63 ppm1=8.047 ppm2=3.979 assign ( resid 24 and name HA ) ( resid 24 and name HB3 ) 3.2 1.5 0.1 volume=0.207 peak=276 ppm1=3.981 ppm2=1.841 assign ( resid 19 and name H ) ( resid 18 and name HA ) 4.5 2.0 0.0 volume=0.108 peak=293 ppm1=8.838 ppm2=4.298 assign ( resid 17 and name H ) ( resid 17 and name HD1# ) 4.5 2.0 0.0 volume=0.047 peak=115 ppm1=8.611 ppm2=1.073 assign ( resid 8 and name H ) ( resid 7 and name HB ) 4.5 2.0 0.0 volume=0.062 peak=177 ppm1=7.862 ppm2=2.161 assign ( resid 5 and name HA ) ( resid 5 and name HG2# ) 4.5 2.0 0.0 volume=0.189 peak=119 ppm1=3.809 ppm2=1.066 assign ( resid 24 and name HA ) ( resid 27 and name HB2 ) 4.5 2.0 0.0 volume=0.059 peak=5 ppm1=3.985 ppm2=1.974 assign ( resid 27 and name HA ) ( resid 27 and name HD2 ) 4.5 2.0 0.0 volume=0.050 peak=124 ppm1=4.143 ppm2=3.154 assign ( resid 26 and name HG3 ) ( resid 26 and name HA ) 4.5 2.0 0.0 volume=0.079 peak=167 ppm1=3.037 ppm2=4.864 assign ( resid 13 and name HB3 ) ( resid 13 and name HA ) 4.5 2.0 0.0 volume=0.183 peak=45 ppm1=4.056 ppm2=4.351 assign ( resid 8 and name HA ) ( resid 11 and name HB ) 4.5 2.0 0.0 volume=0.056 peak=85 ppm1=4.242 ppm2=2.502 assign ( resid 15 and name HA ) ( resid 15 and name HB3 ) 4.5 2.0 0.0 volume=0.111 peak=20 ppm1=4.332 ppm2=2.964 assign ( resid 6 and name H ) ( resid 5 and name HA ) 5.5 2.5 0.5 volume=0.015 peak=217 ppm1=8.063 ppm2=3.818 assign ( resid 11 and name HA ) ( resid 11 and name HB ) 3.2 1.5 0.1 volume=0.238 peak=294 ppm1=3.972 ppm2=2.502 assign ( resid 10 and name HB3 ) ( resid 10 and name HA ) 5.5 2.5 0.5 volume=0.018 peak=242 ppm1=2.400 ppm2=4.491 assign ( resid 3 and name HA ) ( resid 3 and name HG13 ) 4.5 2.0 0.0 volume=0.060 peak=72 ppm1=4.021 ppm2=1.718 assign ( resid 26 and name HE ) ( resid 26 and name HG3 or resid 26 and name HG2 ) 5.5 2.5 0.5 volume=0.016 peak=164 ppm1=7.267 ppm2=1.423 assign ( resid 21 and name H ) ( resid 17 and name HG2# ) 5.5 2.5 0.5 volume=0.022 peak=249 ppm1=8.851 ppm2=1.200 assign ( resid 23 and name HD1 ) ( resid 23 and name H ) 4.5 2.0 0.0 volume=0.072 peak=295 ppm1=6.799 ppm2=8.401 assign ( resid 25 and name H ) ( resid 25 and name HB3 ) 4.5 2.0 0.0 volume=0.167 peak=223 ppm1=8.046 ppm2=4.092 assign ( resid 27 and name HB2 ) ( resid 27 and name HD3 or resid 27 and name HD2 ) 5.5 2.5 0.5 volume=0.014 peak=87 ppm1=1.971 ppm2=3.146 assign ( resid 30 and name H ) ( resid 29 and name HA ) 4.5 2.0 0.0 volume=0.130 peak=286 ppm1=8.140 ppm2=4.418 assign ( resid 20 and name H ) ( resid 20 and name HB3 ) 3.2 1.5 0.1 volume=0.279 peak=278 ppm1=9.111 ppm2=3.530 assign ( resid 5 and name H ) ( resid 4 and name HA ) 5.5 2.5 0.5 volume=0.021 peak=288 ppm1=7.957 ppm2=4.519 assign ( resid 28 and name H ) ( resid 28 and name HB2 ) 4.5 2.0 0.0 volume=0.051 peak=128 ppm1=7.965 ppm2=2.896 assign ( resid 4 and name H ) ( resid 4 and name HA ) 5.5 2.5 0.5 volume=0.028 peak=28 ppm1=8.396 ppm2=4.506 assign ( resid 17 and name HG12 ) ( resid 17 and name HD1# ) 3.2 1.5 0.1 volume=0.245 peak=312 ppm1=2.114 ppm2=1.072 assign ( resid 19 and name HZ ) ( resid 19 and name HE# ) 2.5 0.8 0.2 volume=1.297 peak=88 ppm1=7.347 ppm2=7.420 assign ( resid 16 and name H ) ( resid 16 and name HB# ) 3.2 1.5 0.1 volume=0.439 peak=112 ppm1=8.568 ppm2=1.815 assign ( resid 22 and name H ) ( resid 22 and name HA ) 3.2 1.5 0.1 volume=0.279 peak=268 ppm1=8.519 ppm2=4.141 assign ( resid 12 and name H ) ( resid 12 and name HD1# ) 4.5 2.0 0.0 volume=0.041 peak=234 ppm1=8.290 ppm2=1.046 assign ( resid 7 and name H ) ( resid 7 and name HA ) 4.5 2.0 0.0 volume=0.043 peak=213 ppm1=7.904 ppm2=4.249 assign ( resid 13 and name HA ) ( resid 13 and name HB3 or resid 13 and name HB2 ) 4.5 2.0 0.0 volume=0.151 peak=70 ppm1=4.351 ppm2=4.047 assign ( resid 19 and name HE# ) ( resid 19 and name HD# ) 2.5 0.8 0.2 volume=1.627 peak=265 ppm1=7.412 ppm2=7.254 assign ( resid 23 and name HD1 ) ( resid 23 and name HE1 ) 4.5 2.0 0.0 volume=0.115 peak=147 ppm1=6.796 ppm2=9.633 assign ( resid 21 and name H ) ( resid 21 and name HB2 ) 4.5 2.0 0.0 volume=0.087 peak=225 ppm1=8.854 ppm2=4.144 assign ( resid 23 and name H ) ( resid 23 and name HB3 ) 3.2 1.5 0.1 volume=0.222 peak=51 ppm1=8.404 ppm2=3.127 assign ( resid 23 and name H ) ( resid 22 and name HD# ) 4.5 2.0 0.0 volume=0.040 peak=211 ppm1=8.403 ppm2=6.585 assign ( resid 7 and name H ) ( resid 7 and name HB ) 4.5 2.0 0.0 volume=0.053 peak=245 ppm1=7.903 ppm2=2.161 assign ( resid 12 and name H ) ( resid 11 and name HB ) 4.5 2.0 0.0 volume=0.131 peak=244 ppm1=8.289 ppm2=2.499 assign ( resid 10 and name HB3 ) ( resid 10 and name HB2 ) 4.5 2.0 0.0 volume=0.155 peak=92 ppm1=2.395 ppm2=2.516 assign ( resid 11 and name HB ) ( resid 11 and name HG1# ) 4.5 2.0 0.0 volume=0.102 peak=305 ppm1=2.502 ppm2=1.296 assign ( resid 12 and name H ) ( resid 9 and name HA ) 4.5 2.0 0.0 volume=0.036 peak=133 ppm1=8.288 ppm2=4.392 assign ( resid 24 and name H ) ( resid 20 and name HA ) 5.5 2.5 0.5 volume=0.024 peak=166 ppm1=8.877 ppm2=4.568 assign ( resid 18 and name HB# ) ( resid 18 and name HA ) 3.2 1.5 0.1 volume=0.238 peak=53 ppm1=1.795 ppm2=4.298 assign ( resid 3 and name HB ) ( resid 3 and name HG12 ) 4.5 2.0 0.0 volume=0.156 peak=261 ppm1=2.157 ppm2=1.362 assign ( resid 23 and name HE1 ) ( resid 23 and name HZ2 ) 4.5 2.0 0.0 volume=0.036 peak=7 ppm1=9.632 ppm2=7.593 assign ( resid 12 and name HA ) ( resid 12 and name HD1# ) 4.5 2.0 0.0 volume=0.073 peak=55 ppm1=3.863 ppm2=1.044 assign ( resid 24 and name H ) ( resid 24 and name HG ) 4.5 2.0 0.0 volume=0.147 peak=109 ppm1=8.876 ppm2=1.706 assign ( resid 30 and name HB2 ) ( resid 30 and name HG3 ) 2.5 0.8 0.2 volume=1.007 peak=160 ppm1=2.113 ppm2=1.996 assign ( resid 10 and name HD2 ) ( resid 9 and name HB# ) 3.2 1.5 0.1 volume=0.417 peak=262 ppm1=3.814 ppm2=1.660 assign ( resid 2 and name H ) ( resid 3 and name HA ) 4.5 2.0 0.0 volume=0.048 peak=280 ppm1=9.112 ppm2=4.029 assign ( resid 17 and name HB ) ( resid 17 and name HG13 ) 4.5 2.0 0.0 volume=0.050 peak=152 ppm1=2.219 ppm2=1.382 assign ( resid 21 and name H ) ( resid 17 and name HA ) 4.5 2.0 0.0 volume=0.037 peak=233 ppm1=8.851 ppm2=4.029 assign ( resid 4 and name H ) ( resid 4 and name HB2 ) 4.5 2.0 0.0 volume=0.071 peak=221 ppm1=8.397 ppm2=3.377 assign ( resid 11 and name H ) ( resid 11 and name HA ) 4.5 2.0 0.0 volume=0.044 peak=113 ppm1=7.446 ppm2=3.970 assign ( resid 28 and name HB3 ) ( resid 28 and name HB2 ) 2.5 0.8 0.2 volume=2.675 peak=22 ppm1=3.038 ppm2=2.894 assign ( resid 4 and name HE# ) ( resid 8 and name HD1# ) 4.5 2.0 0.0 volume=0.052 peak=201 ppm1=7.471 ppm2=1.043 assign ( resid 29 and name H ) ( resid 29 and name HA ) 4.5 2.0 0.0 volume=0.091 peak=126 ppm1=7.711 ppm2=4.421 assign ( resid 20 and name H ) ( resid 21 and name H ) 3.2 1.5 0.1 volume=0.289 peak=137 ppm1=9.112 ppm2=8.855 assign ( resid 14 and name H ) ( resid 15 and name H ) 5.5 2.5 0.5 volume=0.014 peak=184 ppm1=8.448 ppm2=8.527 assign ( resid 13 and name H ) ( resid 10 and name HA ) 5.5 2.5 0.5 volume=0.019 peak=37 ppm1=8.514 ppm2=4.493 assign ( resid 15 and name HA ) ( resid 15 and name HG ) 4.5 2.0 0.0 volume=0.091 peak=97 ppm1=4.324 ppm2=3.414 assign ( resid 9 and name HB# ) ( resid 9 and name HA ) 3.2 1.5 0.1 volume=0.395 peak=76 ppm1=1.665 ppm2=4.394 assign ( resid 26 and name H ) ( resid 26 and name HG3 or resid 26 and name HG2 ) 4.5 2.0 0.0 volume=0.049 peak=129 ppm1=7.927 ppm2=1.416 assign ( resid 19 and name H ) ( resid 20 and name H ) 3.2 1.5 0.1 volume=0.229 peak=307 ppm1=8.842 ppm2=9.110 assign ( resid 26 and name HB3 or resid 26 and name HG3 ) ( resid 26 and name HB3 or resid 26 and name HG2 ) 3.2 1.5 0.1 volume=0.190 peak=59 ppm1=1.773 ppm2=1.481 assign ( resid 6 and name HD2 ) ( resid 6 and name HB3 ) 4.5 2.0 0.0 volume=0.078 peak=12 ppm1=7.544 ppm2=3.500 assign ( resid 5 and name HB ) ( resid 4 and name HA ) 5.5 2.5 0.5 volume=0.014 peak=60 ppm1=2.282 ppm2=4.504 assign ( resid 7 and name H ) ( resid 6 and name HB2 or resid 6 and name HB3 ) 4.5 2.0 0.0 volume=0.030 peak=80 ppm1=7.904 ppm2=3.497 assign ( resid 23 and name HE3 ) ( resid 23 and name HB2 ) 4.5 2.0 0.0 volume=0.108 peak=168 ppm1=7.589 ppm2=3.506 assign ( resid 30 and name HG3 ) ( resid 30 and name HA ) 4.5 2.0 0.0 volume=0.158 peak=256 ppm1=1.992 ppm2=4.592 assign ( resid 5 and name H ) ( resid 5 and name HG2# ) 5.5 2.5 0.5 volume=0.018 peak=165 ppm1=7.957 ppm2=1.080 assign ( resid 24 and name HG ) ( resid 24 and name HD1# or resid 24 and name HD2# ) 4.5 2.0 0.0 volume=0.158 peak=41 ppm1=1.700 ppm2=1.052 assign ( resid 8 and name H ) ( resid 8 and name HD1# ) 4.5 2.0 0.0 volume=0.051 peak=81 ppm1=7.864 ppm2=1.048 assign ( resid 10 and name HB2 ) ( resid 10 and name HA ) 4.5 2.0 0.0 volume=0.181 peak=155 ppm1=2.525 ppm2=4.492 assign ( resid 12 and name H ) ( resid 11 and name HG1# ) 5.5 2.5 0.5 volume=0.020 peak=301 ppm1=8.290 ppm2=1.293 assign ( resid 12 and name H ) ( resid 12 and name HA ) 4.5 2.0 0.0 volume=0.137 peak=258 ppm1=8.291 ppm2=3.861 assign ( resid 6 and name H ) ( resid 5 and name HB ) 5.5 2.5 0.5 volume=0.017 peak=42 ppm1=8.062 ppm2=2.280 assign ( resid 21 and name HB2 ) ( resid 21 and name HA ) 2.5 0.8 0.2 volume=0.657 peak=102 ppm1=4.141 ppm2=4.345 assign ( resid 23 and name H ) ( resid 23 and name HB2 ) 4.5 2.0 0.0 volume=0.158 peak=231 ppm1=8.403 ppm2=3.505 assign ( resid 27 and name H ) ( resid 27 and name HG3 or resid 27 and name HG2 ) 4.5 2.0 0.0 volume=0.043 peak=96 ppm1=8.165 ppm2=1.744 assign ( resid 6 and name H ) ( resid 6 and name HB3 ) 4.5 2.0 0.0 volume=0.078 peak=24 ppm1=8.062 ppm2=3.500 assign ( resid 4 and name HD# ) ( resid 4 and name HE# ) 2.5 0.8 0.2 volume=1.594 peak=64 ppm1=7.379 ppm2=7.466 assign ( resid 24 and name H ) ( resid 24 and name HD1# ) 4.5 2.0 0.0 volume=0.035 peak=16 ppm1=8.875 ppm2=1.046 assign ( resid 4 and name H ) ( resid 3 and name HB ) 5.5 2.5 0.5 volume=0.021 peak=139 ppm1=8.397 ppm2=2.156 assign ( resid 3 and name H ) ( resid 3 and name HA ) 4.5 2.0 0.0 volume=0.068 peak=130 ppm1=8.531 ppm2=4.031 assign ( resid 22 and name H ) ( resid 19 and name HA ) 5.5 2.5 0.5 volume=0.012 peak=178 ppm1=8.519 ppm2=4.436 assign ( resid 3 and name HG13 ) ( resid 3 and name HG12 ) 4.5 2.0 0.0 volume=0.165 peak=161 ppm1=1.715 ppm2=1.347 assign ( resid 11 and name HG1# ) ( resid 11 and name HA ) 3.2 1.5 0.1 volume=0.339 peak=125 ppm1=1.295 ppm2=3.974 assign ( resid 20 and name H ) ( resid 19 and name HA ) 5.5 2.5 0.5 volume=0.022 peak=196 ppm1=9.112 ppm2=4.437 assign ( resid 12 and name HA ) ( resid 12 and name HG2# ) 3.2 1.5 0.1 volume=0.202 peak=235 ppm1=3.861 ppm2=1.138 assign ( resid 5 and name HB ) ( resid 5 and name HG2# ) 6.0 0.0 6.0 volume=0.004 peak=176 ppm1=2.275 ppm2=1.067 assign ( resid 17 and name HG12 ) ( resid 17 and name HG2# ) 5.5 2.5 0.5 volume=0.026 peak=46 ppm1=2.114 ppm2=1.198 assign ( resid 10 and name HG3 ) ( resid 10 and name HD2 ) 4.5 2.0 0.0 volume=0.078 peak=291 ppm1=2.038 ppm2=3.810 assign ( resid 11 and name HG1# ) ( resid 11 and name HG2# ) 6.0 0.0 6.0 volume=0.000 peak=86 ppm1=1.299 ppm2=1.171 assign ( resid 26 and name HE ) ( resid 26 and name HD2 ) 5.5 2.5 0.5 volume=0.018 peak=33 ppm1=7.275 ppm2=2.885 assign ( resid 12 and name H ) ( resid 12 and name HG13 ) 4.5 2.0 0.0 volume=0.070 peak=151 ppm1=8.287 ppm2=1.465 assign ( resid 19 and name H ) ( resid 18 and name HB# ) 3.2 1.5 0.1 volume=0.251 peak=1 ppm1=8.840 ppm2=1.795 assign ( resid 26 and name HB3 ) ( resid 26 and name HA ) 3.2 1.5 0.1 volume=0.218 peak=228 ppm1=2.896 ppm2=4.860 assign ( resid 19 and name HD# ) ( resid 19 and name HB2 or resid 19 and name HB3 ) 3.2 1.5 0.1 volume=0.284 peak=303 ppm1=7.253 ppm2=3.452 assign ( resid 17 and name HA ) ( resid 17 and name HB ) 3.2 1.5 0.1 volume=0.226 peak=116 ppm1=4.022 ppm2=2.217 assign ( resid 30 and name H ) ( resid 30 and name HB2 ) 5.5 2.5 0.5 volume=0.023 peak=191 ppm1=8.138 ppm2=2.127 assign ( resid 12 and name H ) ( resid 11 and name H ) 4.5 2.0 0.0 volume=0.073 peak=48 ppm1=8.289 ppm2=7.453 assign ( resid 9 and name H ) ( resid 9 and name HA ) 4.5 2.0 0.0 volume=0.059 peak=120 ppm1=8.434 ppm2=4.397 assign ( resid 22 and name H ) ( resid 22 and name HB3 or resid 22 and name HB2 ) 3.2 1.5 0.1 volume=0.296 peak=108 ppm1=8.520 ppm2=3.228 assign ( resid 23 and name HH2 ) ( resid 23 and name HZ3 ) 2.5 0.8 0.2 volume=0.812 peak=243 ppm1=7.344 ppm2=7.197 assign ( resid 27 and name H ) ( resid 26 and name HB2 ) 4.5 2.0 0.0 volume=0.073 peak=19 ppm1=8.165 ppm2=1.895 assign ( resid 9 and name HB# ) ( resid 10 and name HD3 ) 3.2 1.5 0.1 volume=0.405 peak=252 ppm1=1.660 ppm2=3.813 assign ( resid 18 and name H ) ( resid 18 and name HB# ) 3.2 1.5 0.1 volume=0.592 peak=21 ppm1=8.624 ppm2=1.796 assign ( resid 19 and name H ) ( resid 19 and name HB2 ) 2.5 0.8 0.2 volume=0.646 peak=150 ppm1=8.841 ppm2=3.448 assign ( resid 21 and name H ) ( resid 22 and name H ) 4.5 2.0 0.0 volume=0.139 peak=29 ppm1=8.853 ppm2=8.520 assign ( resid 23 and name HE1 ) ( resid 23 and name HD1 ) 4.5 2.0 0.0 volume=0.084 peak=89 ppm1=9.632 ppm2=6.800 assign ( resid 26 and name HD3 ) ( resid 26 and name HB2 ) 5.5 2.5 0.5 volume=0.013 peak=193 ppm1=2.958 ppm2=1.900 assign ( resid 8 and name H ) ( resid 6 and name HB2 or resid 6 and name HB3 ) 5.5 2.5 0.5 volume=0.017 peak=3 ppm1=7.870 ppm2=3.497 assign ( resid 14 and name H ) ( resid 13 and name HB3 ) 4.5 2.0 0.0 volume=0.180 peak=227 ppm1=8.446 ppm2=4.042 assign ( resid 12 and name H ) ( resid 12 and name HG12 ) 4.5 2.0 0.0 volume=0.123 peak=190 ppm1=8.286 ppm2=1.847 assign ( resid 9 and name H ) ( resid 8 and name HA ) 5.5 2.5 0.5 volume=0.009 peak=207 ppm1=8.433 ppm2=4.242 assign ( resid 12 and name H ) ( resid 12 and name HG2# ) 4.5 2.0 0.0 volume=0.040 peak=313 ppm1=8.290 ppm2=1.143 assign ( resid 4 and name HD# ) ( resid 8 and name HD1# ) 4.5 2.0 0.0 volume=0.060 peak=146 ppm1=7.380 ppm2=1.049 assign ( resid 3 and name HA ) ( resid 3 and name HG12 ) 4.5 2.0 0.0 volume=0.142 peak=279 ppm1=4.032 ppm2=1.366 assign ( resid 12 and name HA ) ( resid 12 and name HG12 ) 4.5 2.0 0.0 volume=0.077 peak=52 ppm1=3.862 ppm2=1.845 assign ( resid 10 and name HD3 or resid 10 and name HD2 ) ( resid 10 and name HG2 ) 4.5 2.0 0.0 volume=0.181 peak=283 ppm1=3.811 ppm2=2.102 assign ( resid 30 and name H ) ( resid 30 and name HA ) 4.5 2.0 0.0 volume=0.049 peak=206 ppm1=8.140 ppm2=4.594 assign ( resid 12 and name HA ) ( resid 12 and name HB ) 3.2 1.5 0.1 volume=0.195 peak=287 ppm1=3.856 ppm2=2.152 assign ( resid 24 and name H ) ( resid 27 and name HD3 or resid 27 and name HD2 ) 4.5 2.0 0.0 volume=0.051 peak=224 ppm1=8.878 ppm2=3.128 assign ( resid 20 and name H ) ( resid 19 and name HD# ) 5.5 2.5 0.5 volume=0.021 peak=93 ppm1=9.111 ppm2=7.251 assign ( resid 16 and name H ) ( resid 17 and name HA ) 5.5 2.5 0.5 volume=0.026 peak=6 ppm1=8.567 ppm2=4.031 assign ( resid 23 and name HD1 ) ( resid 23 and name HA ) 4.5 2.0 0.0 volume=0.045 peak=134 ppm1=6.800 ppm2=4.125 assign ( resid 11 and name H ) ( resid 11 and name HG1# ) 4.5 2.0 0.0 volume=0.084 peak=274 ppm1=7.447 ppm2=1.296 assign ( resid 27 and name HB3 ) ( resid 27 and name HD2 ) 5.5 2.5 0.5 volume=0.027 peak=188 ppm1=1.887 ppm2=3.139 assign ( resid 17 and name HB ) ( resid 17 and name HG2# ) 3.2 1.5 0.1 volume=0.423 peak=272 ppm1=2.220 ppm2=1.196 assign ( resid 22 and name HE# ) ( resid 26 and name HD2 ) 4.5 2.0 0.0 volume=0.034 peak=204 ppm1=6.390 ppm2=2.880 assign ( resid 27 and name HA ) ( resid 27 and name HB2 ) 4.5 2.0 0.0 volume=0.102 peak=197 ppm1=4.141 ppm2=1.971 assign ( resid 27 and name HG3 or resid 27 and name HG2 ) ( resid 27 and name HB2 ) 2.5 0.8 0.2 volume=1.475 peak=8 ppm1=1.735 ppm2=1.960 assign ( resid 9 and name H ) ( resid 8 and name HB ) 5.5 2.5 0.5 volume=0.016 peak=241 ppm1=8.438 ppm2=1.954 assign ( resid 26 and name H ) ( resid 25 and name HA ) 5.5 2.5 0.5 volume=0.022 peak=56 ppm1=7.929 ppm2=4.266 assign ( resid 21 and name H ) ( resid 20 and name HA ) 5.5 2.5 0.5 volume=0.029 peak=140 ppm1=8.853 ppm2=4.568 assign ( resid 27 and name HA ) ( resid 27 and name HG3 or resid 27 and name HG2 ) 4.5 2.0 0.0 volume=0.088 peak=219 ppm1=4.141 ppm2=1.733 assign ( resid 8 and name HA ) ( resid 11 and name HG1# ) 4.5 2.0 0.0 volume=0.039 peak=9 ppm1=4.246 ppm2=1.291 assign ( resid 27 and name HE ) ( resid 27 and name HD3 or resid 27 and name HD2 ) 5.5 2.5 0.5 volume=0.015 peak=270 ppm1=7.448 ppm2=3.151 assign ( resid 23 and name HZ2 ) ( resid 23 and name HH2 ) 2.5 0.8 0.2 volume=1.000 peak=77 ppm1=7.592 ppm2=7.350 assign ( resid 11 and name HA ) ( resid 11 and name HG1# ) 3.2 1.5 0.1 volume=0.238 peak=259 ppm1=3.970 ppm2=1.296 assign ( resid 26 and name HD3 ) ( resid 26 and name HG3 or resid 26 and name HG2 ) 4.5 2.0 0.0 volume=0.089 peak=138 ppm1=2.955 ppm2=1.454 assign ( resid 11 and name HA ) ( resid 11 and name HG2# ) 4.5 2.0 0.0 volume=0.155 peak=38 ppm1=3.969 ppm2=1.177 assign ( resid 26 and name H ) ( resid 26 and name HA ) 4.5 2.0 0.0 volume=0.127 peak=255 ppm1=7.931 ppm2=4.108 assign ( resid 24 and name HB2 ) ( resid 24 and name HG ) 3.2 1.5 0.1 volume=0.584 peak=98 ppm1=1.835 ppm2=1.706 assign ( resid 12 and name HB ) ( resid 12 and name HG2# ) 3.2 1.5 0.1 volume=0.373 peak=290 ppm1=2.151 ppm2=1.144 assign ( resid 14 and name H ) ( resid 13 and name HA ) 5.5 2.5 0.5 volume=0.023 peak=158 ppm1=8.448 ppm2=4.346 assign ( resid 28 and name H ) ( resid 27 and name HA ) 5.5 2.5 0.5 volume=0.019 peak=110 ppm1=7.964 ppm2=4.129 assign ( resid 23 and name H ) ( resid 20 and name HA ) 4.5 2.0 0.0 volume=0.047 peak=302 ppm1=8.405 ppm2=4.571 assign ( resid 13 and name HB2 ) ( resid 16 and name HB# ) 5.5 2.5 0.5 volume=0.020 peak=269 ppm1=4.040 ppm2=1.810 assign ( resid 23 and name HE3 ) ( resid 23 and name HZ3 ) 4.5 2.0 0.0 volume=0.130 peak=13 ppm1=7.597 ppm2=7.206 assign ( resid 12 and name HA ) ( resid 15 and name HG ) 4.5 2.0 0.0 volume=0.116 peak=61 ppm1=3.860 ppm2=3.420 assign ( resid 15 and name H ) ( resid 15 and name HA ) 3.2 1.5 0.1 volume=0.305 peak=214 ppm1=8.525 ppm2=4.334 assign ( resid 30 and name HG3 ) ( resid 30 and name HB2 ) 2.5 0.8 0.2 volume=1.007 peak=200 ppm1=1.993 ppm2=2.120 assign ( resid 19 and name HB2 or resid 19 and name HB3 ) ( resid 19 and name HA ) 3.2 1.5 0.1 volume=0.418 peak=250 ppm1=3.451 ppm2=4.437 assign ( resid 4 and name HD# ) ( resid 4 and name HB2 or resid 4 and name HB3 ) 4.5 2.0 0.0 volume=0.140 peak=181 ppm1=7.379 ppm2=3.376 assign ( resid 25 and name H ) ( resid 24 and name HB3 ) 4.5 2.0 0.0 volume=0.083 peak=175 ppm1=8.047 ppm2=1.834 assign ( resid 26 and name HA ) ( resid 26 and name HG3 or resid 26 and name HG2 ) 4.5 2.0 0.0 volume=0.076 peak=185 ppm1=4.114 ppm2=1.419 assign ( resid 28 and name H ) ( resid 28 and name HB3 ) 5.5 2.5 0.5 volume=0.016 peak=216 ppm1=7.966 ppm2=3.048 assign ( resid 4 and name HB2 or resid 4 and name HB3 ) ( resid 4 and name HA ) 3.2 1.5 0.1 volume=0.211 peak=82 ppm1=3.374 ppm2=4.509 assign ( resid 8 and name HG2# ) ( resid 8 and name HA ) 3.2 1.5 0.1 volume=0.203 peak=253 ppm1=1.103 ppm2=4.244 assign ( resid 22 and name HE# ) ( resid 22 and name HA ) 5.5 2.5 0.5 volume=0.016 peak=247 ppm1=6.392 ppm2=4.136 assign ( resid 8 and name H ) ( resid 8 and name HG13 ) 4.5 2.0 0.0 volume=0.042 peak=310 ppm1=7.863 ppm2=1.654 assign ( resid 10 and name HB2 ) ( resid 10 and name HD3 ) 4.5 2.0 0.0 volume=0.035 peak=43 ppm1=2.518 ppm2=3.814 assign ( resid 12 and name HB ) ( resid 12 and name HG12 ) 4.5 2.0 0.0 volume=0.097 peak=267 ppm1=2.158 ppm2=1.832 assign ( resid 20 and name H ) ( resid 20 and name HB2 ) 3.2 1.5 0.1 volume=0.413 peak=83 ppm1=9.112 ppm2=3.456 assign ( resid 26 and name HA ) ( resid 26 and name HD3 ) 4.5 2.0 0.0 volume=0.046 peak=238 ppm1=4.107 ppm2=2.970 assign ( resid 8 and name HG13 ) ( resid 8 and name HG12 ) 2.5 0.8 0.2 volume=0.945 peak=31 ppm1=1.648 ppm2=1.455 assign ( resid 7 and name HA ) ( resid 7 and name HG2# ) 4.5 2.0 0.0 volume=0.140 peak=260 ppm1=4.247 ppm2=1.101 assign ( resid 2 and name H ) ( resid 2 and name HB2 ) 5.5 2.5 0.5 volume=0.018 peak=25 ppm1=9.110 ppm2=1.927 assign ( resid 16 and name H ) ( resid 15 and name HG ) 4.5 2.0 0.0 volume=0.104 peak=162 ppm1=8.570 ppm2=3.427 assign ( resid 2 and name HB3 ) ( resid 2 and name HA ) 4.5 2.0 0.0 volume=0.068 peak=179 ppm1=1.948 ppm2=4.507 assign ( resid 23 and name HE1 ) ( resid 19 and name HE# ) 5.5 2.5 0.5 volume=0.016 peak=212 ppm1=9.633 ppm2=7.417 assign ( resid 11 and name H ) ( resid 11 and name HB ) 4.5 2.0 0.0 volume=0.072 peak=264 ppm1=7.447 ppm2=2.501 assign ( resid 21 and name H ) ( resid 21 and name HA ) 3.2 1.5 0.1 volume=0.314 peak=104 ppm1=8.855 ppm2=4.327 assign ( resid 7 and name HB ) ( resid 7 and name HD1# ) 4.5 2.0 0.0 volume=0.168 peak=299 ppm1=2.156 ppm2=1.062 assign ( resid 26 and name HA ) ( resid 26 and name HB3 ) 4.5 2.0 0.0 volume=0.123 peak=154 ppm1=4.105 ppm2=1.786 assign ( resid 15 and name H ) ( resid 12 and name HA ) 5.5 2.5 0.5 volume=0.028 peak=4 ppm1=8.522 ppm2=3.860 assign ( resid 1 and name HA ) ( resid 1 and name HB2 ) 4.5 2.0 0.0 volume=0.105 peak=47 ppm1=4.311 ppm2=2.322 assign ( resid 30 and name H ) ( resid 30 and name HG3 or resid 30 and name HG2 ) 4.5 2.0 0.0 volume=0.038 peak=171 ppm1=8.139 ppm2=1.624 assign ( resid 12 and name HA ) ( resid 12 and name HG13 ) 4.5 2.0 0.0 volume=0.113 peak=311 ppm1=3.861 ppm2=1.467 assign ( resid 9 and name HA ) ( resid 12 and name HB ) 4.5 2.0 0.0 volume=0.030 peak=182 ppm1=4.389 ppm2=2.157 assign ( resid 30 and name HD2 ) ( resid 30 and name HG3 or resid 30 and name HG2 ) 2.5 0.8 0.2 volume=0.709 peak=101 ppm1=1.849 ppm2=1.628 assign ( resid 7 and name HA ) ( resid 7 and name HD1# ) 4.5 2.0 0.0 volume=0.153 peak=304 ppm1=4.244 ppm2=1.047 assign ( resid 5 and name HA ) ( resid 5 and name HG1# ) 4.5 2.0 0.0 volume=0.139 peak=105 ppm1=3.810 ppm2=1.227 assign ( resid 30 and name HG3 ) ( resid 30 and name HG2 ) 4.5 2.0 0.0 volume=0.079 peak=149 ppm1=1.997 ppm2=1.630 assign ( resid 11 and name HB ) ( resid 7 and name HA ) 4.5 2.0 0.0 volume=0.072 peak=49 ppm1=2.502 ppm2=4.248 assign ( resid 13 and name H ) ( resid 12 and name HB ) 4.5 2.0 0.0 volume=0.132 peak=306 ppm1=8.514 ppm2=2.154 assign ( resid 5 and name H ) ( resid 5 and name HB ) 4.5 2.0 0.0 volume=0.036 peak=2 ppm1=7.960 ppm2=2.275 assign ( resid 11 and name HB ) ( resid 11 and name HG2# ) 4.5 2.0 0.0 volume=0.055 peak=298 ppm1=2.498 ppm2=1.180 assign ( resid 18 and name HA ) ( resid 17 and name HG2# ) 5.5 2.5 0.5 volume=0.017 peak=23 ppm1=4.296 ppm2=1.195 assign ( resid 20 and name H ) ( resid 20 and name HA ) 3.2 1.5 0.1 volume=0.204 peak=90 ppm1=9.112 ppm2=4.571 assign ( resid 9 and name H ) ( resid 9 and name HB# ) 4.5 2.0 0.0 volume=0.115 peak=208 ppm1=8.436 ppm2=1.659 assign ( resid 26 and name HD3 ) ( resid 26 and name HB3 ) 4.5 2.0 0.0 volume=0.032 peak=285 ppm1=2.968 ppm2=1.781 assign ( resid 3 and name H ) ( resid 3 and name HG12 ) 5.5 2.5 0.5 volume=0.012 peak=131 ppm1=8.536 ppm2=1.349 assign ( resid 5 and name HB ) ( resid 5 and name HG1# ) 3.2 1.5 0.1 volume=0.226 peak=226 ppm1=2.276 ppm2=1.221 assign ( resid 9 and name HA ) ( resid 12 and name HD1# ) 5.5 2.5 0.5 volume=0.016 peak=263 ppm1=4.389 ppm2=1.048 assign ( resid 8 and name H ) ( resid 8 and name HA ) 4.5 2.0 0.0 volume=0.102 peak=210 ppm1=7.862 ppm2=4.247 assign ( resid 17 and name H ) ( resid 16 and name HA ) 4.5 2.0 0.0 volume=0.087 peak=145 ppm1=8.612 ppm2=4.350 assign ( resid 21 and name H ) ( resid 21 and name HB3 ) 4.5 2.0 0.0 volume=0.095 peak=117 ppm1=8.855 ppm2=4.127 assign ( resid 22 and name HD# ) ( resid 22 and name HB3 or resid 22 and name HB2 ) 3.2 1.5 0.1 volume=0.283 peak=296 ppm1=6.582 ppm2=3.225 assign ( resid 27 and name H ) ( resid 26 and name HB3 ) 5.5 2.5 0.5 volume=0.007 peak=121 ppm1=8.164 ppm2=1.790 assign ( resid 17 and name HB ) ( resid 17 and name HD1# ) 4.5 2.0 0.0 volume=0.102 peak=73 ppm1=2.220 ppm2=1.072 assign ( resid 7 and name HB ) ( resid 4 and name HA ) 4.5 2.0 0.0 volume=0.030 peak=251 ppm1=2.172 ppm2=4.507 assign ( resid 27 and name H ) ( resid 27 and name HA ) 4.5 2.0 0.0 volume=0.060 peak=79 ppm1=8.166 ppm2=4.144 assign ( resid 4 and name HA ) ( resid 4 and name HB2 or resid 4 and name HB3 ) 4.5 2.0 0.0 volume=0.141 peak=34 ppm1=4.509 ppm2=3.373 assign ( resid 29 and name H ) ( resid 26 and name HA ) 4.5 2.0 0.0 volume=0.083 peak=94 ppm1=7.711 ppm2=4.863 assign ( resid 27 and name HG2 ) ( resid 27 and name HA ) 4.5 2.0 0.0 volume=0.082 peak=135 ppm1=1.740 ppm2=4.135 assign ( resid 12 and name H ) ( resid 9 and name HB# ) 5.5 2.5 0.5 volume=0.011 peak=194 ppm1=8.290 ppm2=1.657 assign ( resid 21 and name HB3 ) ( resid 21 and name HA ) 2.5 0.8 0.2 volume=0.773 peak=35 ppm1=4.124 ppm2=4.345 assign ( resid 13 and name H ) ( resid 13 and name HA ) 3.2 1.5 0.1 volume=0.277 peak=143 ppm1=8.512 ppm2=4.352 assign ( resid 22 and name HE# ) ( resid 22 and name HD# ) 2.5 0.8 0.2 volume=1.510 peak=189 ppm1=6.391 ppm2=6.585 assign ( resid 5 and name H ) ( resid 5 and name HG1# ) 4.5 2.0 0.0 volume=0.048 peak=203 ppm1=7.962 ppm2=1.228 assign ( resid 12 and name H ) ( resid 8 and name HA ) 5.5 2.5 0.5 volume=0.012 peak=174 ppm1=8.287 ppm2=4.240 assign ( resid 12 and name H ) ( resid 13 and name H ) 4.5 2.0 0.0 volume=0.083 peak=141 ppm1=8.290 ppm2=8.517 assign ( resid 4 and name H ) ( resid 3 and name H ) 4.5 2.0 0.0 volume=0.048 peak=57 ppm1=8.396 ppm2=8.532 assign ( resid 3 and name HA ) ( resid 3 and name HB ) 3.2 1.5 0.1 volume=0.330 peak=282 ppm1=4.024 ppm2=2.152 assign ( resid 27 and name H ) ( resid 24 and name HA ) 5.5 2.5 0.5 volume=0.015 peak=10 ppm1=8.165 ppm2=3.977 assign ( resid 19 and name H ) ( resid 19 and name HA ) 3.2 1.5 0.1 volume=0.209 peak=78 ppm1=8.841 ppm2=4.437 assign ( resid 8 and name HB ) ( resid 8 and name HA ) 4.5 2.0 0.0 volume=0.062 peak=114 ppm1=1.943 ppm2=4.241 assign ( resid 7 and name HG13 ) ( resid 7 and name HG12 ) 4.5 2.0 0.0 volume=0.179 peak=159 ppm1=1.802 ppm2=1.386 assign ( resid 11 and name HG2# ) ( resid 11 and name HA ) 4.5 2.0 0.0 volume=0.111 peak=172 ppm1=1.177 ppm2=3.969 assign ( resid 17 and name H ) ( resid 17 and name HA ) 3.2 1.5 0.1 volume=0.296 peak=39 ppm1=8.611 ppm2=4.029 assign ( resid 16 and name HB# ) ( resid 16 and name HA ) 3.2 1.5 0.1 volume=0.545 peak=232 ppm1=1.815 ppm2=4.352 assign ( resid 24 and name H ) ( resid 24 and name HA ) 3.2 1.5 0.1 volume=0.197 peak=99 ppm1=8.877 ppm2=3.982 assign ( resid 15 and name H ) ( resid 15 and name HG ) 4.5 2.0 0.0 volume=0.108 peak=54 ppm1=8.526 ppm2=3.423 assign ( resid 17 and name H ) ( resid 17 and name HG12 ) 3.2 1.5 0.1 volume=0.240 peak=292 ppm1=8.609 ppm2=2.113 assign ( resid 23 and name H ) ( resid 24 and name H ) 4.5 2.0 0.0 volume=0.153 peak=18 ppm1=8.403 ppm2=8.877 assign ( resid 21 and name H ) ( resid 20 and name HB3 ) 4.5 2.0 0.0 volume=0.056 peak=156 ppm1=8.854 ppm2=3.529 assign ( resid 23 and name HE3 ) ( resid 23 and name HA ) 4.5 2.0 0.0 volume=0.128 peak=218 ppm1=7.591 ppm2=4.127 assign ( resid 17 and name HG12 ) ( resid 17 and name HG13 ) 3.2 1.5 0.1 volume=0.540 peak=14 ppm1=2.112 ppm2=1.384 assign ( resid 2 and name H ) ( resid 1 and name HA ) 4.5 2.0 0.0 volume=0.051 peak=62 ppm1=9.112 ppm2=4.315 assign ( resid 1 and name HA ) ( resid 1 and name HB3 ) 4.5 2.0 0.0 volume=0.113 peak=271 ppm1=4.307 ppm2=2.377 assign ( resid 26 and name HD2 ) ( resid 26 and name HG2 ) 4.5 2.0 0.0 volume=0.051 peak=308 ppm1=2.879 ppm2=1.461 assign ( resid 25 and name H ) ( resid 24 and name HG ) 4.5 2.0 0.0 volume=0.087 peak=254 ppm1=8.047 ppm2=1.705 assign ( resid 8 and name HA ) ( resid 8 and name HG13 ) 5.5 2.5 0.5 volume=0.027 peak=17 ppm1=4.246 ppm2=1.654 assign ( resid 9 and name H ) ( resid 10 and name HD3 ) 4.5 2.0 0.0 volume=0.060 peak=215 ppm1=8.433 ppm2=3.814 assign ( resid 27 and name HB3 ) ( resid 24 and name HA ) 5.5 2.5 0.5 volume=0.020 peak=123 ppm1=1.891 ppm2=3.983 assign ( resid 10 and name HD2 ) ( resid 10 and name HB3 ) 4.5 2.0 0.0 volume=0.136 peak=289 ppm1=3.811 ppm2=2.397 assign ( resid 24 and name H ) ( resid 23 and name HA ) 4.5 2.0 0.0 volume=0.045 peak=277 ppm1=8.878 ppm2=4.127 assign ( resid 12 and name HB ) ( resid 9 and name HA ) 4.5 2.0 0.0 volume=0.044 peak=65 ppm1=2.156 ppm2=4.397 assign ( resid 12 and name H ) ( resid 12 and name HB ) 3.2 1.5 0.1 volume=0.202 peak=107 ppm1=8.289 ppm2=2.153 assign ( resid 18 and name H ) ( resid 17 and name HG2# ) 4.5 2.0 0.0 volume=0.089 peak=44 ppm1=8.623 ppm2=1.199 assign ( resid 4 and name H ) ( resid 3 and name HD1# ) 5.5 2.5 0.5 volume=0.011 peak=111 ppm1=8.395 ppm2=1.010 assign ( resid 7 and name HA ) ( resid 7 and name HB ) 3.2 1.5 0.1 volume=0.203 peak=84 ppm1=4.245 ppm2=2.168 assign ( resid 10 and name HD3 ) ( resid 10 and name HG3 ) 4.5 2.0 0.0 volume=0.059 peak=153 ppm1=3.808 ppm2=2.040 assign ( resid 30 and name HG3 or resid 30 and name HG2 ) ( resid 30 and name HA ) 5.5 2.5 0.5 volume=0.011 peak=26 ppm1=1.627 ppm2=4.591 assign ( resid 1 and name HG3 or resid 1 and name HG2 ) ( resid 5 and name HG1# ) 5.5 2.5 0.5 volume=0.010 peak=66 ppm1=2.747 ppm2=1.225 assign ( resid 12 and name HG12 ) ( resid 12 and name HG13 ) 3.2 1.5 0.1 volume=0.233 peak=199 ppm1=1.845 ppm2=1.465 assign ( resid 17 and name H ) ( resid 17 and name HG2# ) 4.5 2.0 0.0 volume=0.080 peak=309 ppm1=8.609 ppm2=1.199 assign ( resid 28 and name HD21 ) ( resid 28 and name HD22 ) 3.2 1.5 0.1 volume=0.453 peak=230 ppm1=7.717 ppm2=6.709 assign ( resid 27 and name HD3 or resid 27 and name HD2 ) ( resid 27 and name HG3 or resid 27 and name HG2 ) 4.5 2.0 0.0 volume=0.136 peak=27 ppm1=3.149 ppm2=1.738 assign ( resid 3 and name HA ) ( resid 3 and name HD1# ) 4.5 2.0 0.0 volume=0.093 peak=71 ppm1=4.029 ppm2=1.006 assign ( resid 3 and name HB ) ( resid 3 and name HD1# ) 4.5 2.0 0.0 volume=0.038 peak=67 ppm1=2.155 ppm2=1.007 assign ( resid 23 and name HD1 ) ( resid 23 and name HB3 ) 4.5 2.0 0.0 volume=0.159 peak=239 ppm1=6.798 ppm2=3.128 assign ( resid 24 and name H ) ( resid 23 and name HB2 ) 4.5 2.0 0.0 volume=0.118 peak=127 ppm1=8.876 ppm2=3.500 assign ( resid 3 and name H ) ( resid 3 and name HG13 ) 5.5 2.5 0.5 volume=0.021 peak=246 ppm1=8.530 ppm2=1.724 assign ( resid 5 and name H ) ( resid 4 and name HB2 or resid 4 and name HB3 ) 5.5 2.5 0.5 volume=0.013 peak=68 ppm1=7.959 ppm2=3.376 assign ( resid 30 and name H ) ( resid 30 and name HG3 ) 4.5 2.0 0.0 volume=0.033 peak=170 ppm1=8.139 ppm2=1.988 assign ( resid 3 and name H ) ( resid 4 and name HA ) 4.5 2.0 0.0 volume=0.033 peak=237 ppm1=8.531 ppm2=4.501 assign ( resid 19 and name HD# ) ( resid 19 and name HA ) 4.5 2.0 0.0 volume=0.053 peak=229 ppm1=7.249 ppm2=4.435 assign ( resid 17 and name HG13 ) ( resid 17 and name HD1# ) 3.2 1.5 0.1 volume=0.527 peak=69 ppm1=1.364 ppm2=1.065 assign ( resid 20 and name H ) ( resid 16 and name HA ) 4.5 2.0 0.0 volume=0.040 peak=284 ppm1=9.111 ppm2=4.350 assign ( resid 19 and name H ) ( resid 16 and name HA ) 4.5 2.0 0.0 volume=0.170 peak=180 ppm1=8.841 ppm2=4.352 assign ( resid 11 and name H ) ( resid 10 and name HG3 ) 5.5 2.5 0.5 volume=0.017 peak=148 ppm1=7.444 ppm2=2.042 assign ( resid 17 and name H ) ( resid 17 and name HG13 ) 4.5 2.0 0.0 volume=0.072 peak=50 ppm1=8.609 ppm2=1.382 assign ( resid 16 and name H ) ( resid 12 and name HA ) 5.5 2.5 0.5 volume=0.016 peak=275 ppm1=8.568 ppm2=3.861 assign ( resid 1 and name HE# ) ( resid 1 and name HA ) 4.5 2.0 0.0 volume=0.040 peak=157 ppm1=1.704 ppm2=4.318 assign ( resid 29 and name HA or resid 29 and name HB ) ( resid 29 and name HG2# ) 3.2 1.5 0.1 volume=0.331 peak=1 ppm1=4.425 ppm2=1.391
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