NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
600562 | 5hvc | 30007 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
# Restraints file 1: run61_41_1.tbl assign ( resid 2076 and name H ) ( resid 2075 and name HA ) 2.8 1.0 1.0 volume=0.842 peak=97 ppm1=7.774 ppm2=4.305 assign ( resid 2075 and name H ) ( resid 2072 and name HA ) 3.0 1.1 1.1 volume=0.548 peak=90 ppm1=7.682 ppm2=3.718 assign ( resid 2079 and name H ) ( resid 2079 and name HG2# ) 3.5 1.5 1.5 volume=0.217 peak=307 ppm1=8.743 ppm2=1.227 assign ( resid 2109 and name H ) ( resid 2108 and name HA ) 2.8 1.0 1.0 volume=0.752 peak=220 ppm1=8.244 ppm2=4.377 assign ( resid 2075 and name H ) ( resid 2074 and name HA ) 2.9 1.0 1.0 volume=0.656 peak=89 ppm1=7.682 ppm2=3.995 assign ( resid 2136 and name H ) ( resid 2135 and name HB3 or resid 2135 and name HB2 or resid 2136 and name HB2 ) 2.6 0.8 0.8 volume=1.290 peak=296 ppm1=8.145 ppm2=1.617 assign ( resid 2107 and name H ) ( resid 2106 and name HB2 ) 3.0 1.1 1.1 volume=0.558 peak=203 ppm1=9.165 ppm2=1.083 assign ( resid 2084 and name H ) ( resid 2083 and name H ) 3.3 1.3 1.3 volume=0.315 peak=118 ppm1=8.335 ppm2=7.599 assign ( resid 2061 and name H ) ( resid 2061 and name HG3 or resid 2061 and name HG2 ) 2.5 0.8 0.8 volume=1.501 peak=49 ppm1=8.117 ppm2=2.481 assign ( resid 2122 and name H ) ( resid 2120 and name HB3 or resid 2122 and name HB3 ) 2.6 0.9 0.9 volume=1.153 peak=281 ppm1=7.322 ppm2=3.169 assign ( resid 2067 and name H ) ( resid 2067 and name HG2# or resid 2067 and name HG1# ) 2.3 0.7 0.7 volume=2.511 peak=56 ppm1=8.815 ppm2=1.077 assign ( resid 2089 and name H ) ( resid 2088 and name HB# ) 2.4 0.7 0.7 volume=1.860 peak=143 ppm1=8.647 ppm2=1.539 assign ( resid 2109 and name H ) ( resid 2066 and name HD1# or resid 2066 and name HD2# ) 2.9 1.1 1.1 volume=0.608 peak=215 ppm1=8.245 ppm2=0.806 assign ( resid 2082 and name H ) ( resid 2082 and name HB3 ) 2.6 0.9 0.9 volume=1.131 peak=113 ppm1=8.108 ppm2=3.993 assign ( resid 2108 and name H ) ( resid 2107 and name H ) 2.7 0.9 0.9 volume=0.998 peak=211 ppm1=8.005 ppm2=9.173 assign ( resid 2082 and name H ) ( resid 2081 and name HA ) 2.7 0.9 0.9 volume=1.053 peak=112 ppm1=8.108 ppm2=4.155 assign ( resid 2088 and name H ) ( resid 2087 and name HG2# ) 2.4 0.7 0.7 volume=2.035 peak=130 ppm1=8.785 ppm2=1.367 assign ( resid 2089 and name H ) ( resid 2119 and name HG2# ) 3.6 1.6 1.6 volume=0.188 peak=144 ppm1=8.648 ppm2=0.283 assign ( resid 2054 and name H ) ( resid 2054 and name HA ) 2.8 1.0 1.0 volume=0.860 peak=17 ppm1=7.410 ppm2=4.673 assign ( resid 2113 and name H ) ( resid 2113 and name HB3 ) 2.5 0.8 0.8 volume=1.570 peak=256 ppm1=8.575 ppm2=2.544 assign ( resid 2114 and name H ) ( resid 2113 and name HA ) 2.2 0.6 0.6 volume=2.972 peak=264 ppm1=7.915 ppm2=4.635 assign ( resid 2126 and name H ) ( resid 2086 and name HA or resid 2124 and name HB ) 2.4 0.7 0.7 volume=1.809 peak=27 ppm1=9.067 ppm2=4.447 assign ( resid 2110 and name H ) ( resid 2109 and name HA or resid 2110 and name HA ) 2.4 0.7 0.7 volume=2.179 peak=234 ppm1=8.022 ppm2=4.565 assign ( resid 2114 and name H ) ( resid 2114 and name HD2# ) 2.6 0.9 0.9 volume=1.105 peak=268 ppm1=7.914 ppm2=0.901 assign ( resid 2113 and name H ) ( resid 2113 and name HB2 ) 2.5 0.8 0.8 volume=1.576 peak=255 ppm1=8.575 ppm2=2.693 assign ( resid 2109 and name HD21 ) ( resid 2066 and name HD1# or resid 2066 and name HD2# ) 3.2 1.2 1.2 volume=0.380 peak=231 ppm1=7.360 ppm2=0.847 assign ( resid 2071 and name H ) ( resid 2102 and name HD2# ) 3.7 1.7 1.7 volume=0.151 peak=309 ppm1=8.205 ppm2=0.486 assign ( resid 2082 and name H ) ( resid 2079 and name HG2# ) 2.8 1.0 1.0 volume=0.842 peak=110 ppm1=8.107 ppm2=1.224 assign ( resid 2126 and name H ) ( resid 2124 and name HG2# ) 3.0 1.1 1.1 volume=0.504 peak=26 ppm1=9.069 ppm2=1.024 assign ( resid 2110 and name H ) ( resid 2049 and name HE# ) 3.7 1.7 1.7 volume=0.156 peak=238 ppm1=8.019 ppm2=2.003 assign ( resid 2104 and name HD21 ) ( resid 2104 and name H ) 3.4 1.5 1.5 volume=0.235 peak=183 ppm1=6.970 ppm2=8.884 assign ( resid 2112 and name H ) ( resid 2112 and name HD2# or resid 2112 and name HD1# ) 2.6 0.8 0.8 volume=1.223 peak=254 ppm1=7.670 ppm2=0.720 assign ( resid 2097 and name H ) ( resid 2097 and name HB2 ) 2.4 0.7 0.7 volume=1.930 peak=156 ppm1=8.284 ppm2=2.045 assign ( resid 2109 and name H ) ( resid 2108 and name H or resid 2110 and name H ) 2.4 0.7 0.7 volume=1.916 peak=222 ppm1=8.244 ppm2=8.013 assign ( resid 2082 and name H ) ( resid 2081 and name H ) 2.7 0.9 0.9 volume=0.921 peak=116 ppm1=8.107 ppm2=9.079 assign ( resid 2059 and name H ) ( resid 2056 and name HA ) 3.1 1.2 1.2 volume=0.419 peak=42 ppm1=9.120 ppm2=4.377 assign ( resid 2124 and name H ) ( resid 2127 and name H ) 3.0 1.1 1.1 volume=0.568 peak=289 ppm1=7.447 ppm2=8.439 assign ( resid 2112 and name H ) ( resid 2112 and name HB2 ) 2.7 0.9 0.9 volume=1.038 peak=253 ppm1=7.670 ppm2=1.059 assign ( resid 2109 and name H ) ( resid 2109 and name HA ) 2.5 0.8 0.8 volume=1.442 peak=219 ppm1=8.244 ppm2=4.597 assign ( resid 2055 and name H ) ( resid 2054 and name HB2 or resid 2054 and name HG ) 2.8 1.0 1.0 volume=0.825 peak=24 ppm1=9.050 ppm2=1.574 assign ( resid 2104 and name HD21 ) ( resid 2104 and name HB2 ) 2.7 0.9 0.9 volume=0.886 peak=179 ppm1=6.968 ppm2=3.085 assign ( resid 2087 and name H ) ( resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HA or resid 2087 and name HB ) 2.1 0.6 0.6 volume=4.274 peak=127 ppm1=7.563 ppm2=3.995 assign ( resid 2107 and name H ) ( resid 2107 and name HA ) 2.5 0.8 0.8 volume=1.524 peak=206 ppm1=9.166 ppm2=4.201 assign ( resid 2138 and name H ) ( resid 2138 and name HB2 or resid 2138 and name HB3 ) 2.4 0.7 0.7 volume=1.925 peak=300 ppm1=7.746 ppm2=2.095 assign ( resid 2057 and name H ) ( resid 2055 and name HA ) 3.6 1.6 1.6 volume=0.175 peak=315 ppm1=8.526 ppm2=4.746 assign ( resid 2055 and name H ) ( resid 2058 and name HG2 or resid 2058 and name HG3 or resid 2058 and name HB3 ) 2.4 0.7 0.7 volume=1.753 peak=23 ppm1=9.053 ppm2=2.460 assign ( resid 2114 and name H ) ( resid 2113 and name H ) 3.4 1.5 1.5 volume=0.231 peak=263 ppm1=7.911 ppm2=8.577 assign ( resid 2060 and name HE22 ) ( resid 2060 and name HB2 or resid 2060 and name HG2 ) 2.6 0.9 0.9 volume=1.199 peak=48 ppm1=7.059 ppm2=1.959 assign ( resid 2105 and name H ) ( resid 2105 and name HB ) 2.4 0.7 0.7 volume=2.088 peak=194 ppm1=8.542 ppm2=4.313 assign ( resid 2067 and name H ) ( resid 2064 and name HA or resid 2066 and name HA ) 2.7 0.9 0.9 volume=1.075 peak=57 ppm1=8.818 ppm2=4.207 assign ( resid 2052 and name H ) ( resid 2052 and name HA ) 2.6 0.9 0.9 volume=1.167 peak=11 ppm1=8.321 ppm2=4.491 assign ( resid 2104 and name HD22 ) ( resid 2100 and name HG ) 3.2 1.3 1.3 volume=0.335 peak=186 ppm1=7.851 ppm2=1.827 assign ( resid 2097 and name H ) ( resid 2097 and name HG or resid 2097 and name HB3 ) 2.3 0.6 0.6 volume=2.767 peak=157 ppm1=8.284 ppm2=1.733 assign ( resid 2109 and name HD22 ) ( resid 2109 and name HB2 ) 2.8 1.0 1.0 volume=0.795 peak=226 ppm1=7.447 ppm2=2.853 assign ( resid 2128 and name H ) ( resid 2128 and name HB3 ) 2.4 0.7 0.7 volume=2.116 peak=168 ppm1=8.884 ppm2=2.229 assign ( resid 2052 and name H ) ( resid 2054 and name HD1# or resid 2054 and name HD2# ) 3.1 1.2 1.2 volume=0.443 peak=9 ppm1=8.324 ppm2=0.861 assign ( resid 2104 and name HD21 ) ( resid 2101 and name HA ) 2.9 1.0 1.0 volume=0.651 peak=182 ppm1=6.968 ppm2=4.146 assign ( resid 2079 and name H ) ( resid 2079 and name HB ) 3.6 1.6 1.6 volume=0.176 peak=306 ppm1=8.737 ppm2=4.386 assign ( resid 2091 and name H ) ( resid 2091 and name HB3 or resid 2091 and name HB2 ) 2.3 0.6 0.6 volume=2.791 peak=150 ppm1=7.190 ppm2=2.840 assign ( resid 2112 and name H ) ( resid 2107 and name HA or resid 2110 and name HB ) 2.5 0.8 0.8 volume=1.549 peak=250 ppm1=7.669 ppm2=4.175 assign ( resid 2050 and name H ) ( resid 2049 and name HA ) 2.4 0.7 0.7 volume=1.913 peak=3 ppm1=8.723 ppm2=4.338 assign ( resid 2082 and name H ) ( resid 2081 and name HG2 or resid 2081 and name HG3 ) 2.9 1.0 1.0 volume=0.674 peak=106 ppm1=8.108 ppm2=2.314 assign ( resid 2054 and name H ) ( resid 2055 and name H ) 3.2 1.3 1.3 volume=0.332 peak=19 ppm1=7.410 ppm2=9.062 assign ( resid 2092 and name H or resid 2103 and name H ) ( resid 2092 and name HB2 or resid 2103 and name HB2 or resid 2103 and name HB3 ) 2.3 0.7 0.7 volume=2.250 peak=152 ppm1=7.803 ppm2=2.121 assign ( resid 2076 and name H ) ( resid 2076 and name HA3 ) 2.5 0.8 0.8 volume=1.569 peak=98 ppm1=7.775 ppm2=4.136 assign ( resid 2086 and name H ) ( resid 2086 and name HB# ) 2.1 0.6 0.6 volume=4.292 peak=122 ppm1=7.613 ppm2=1.336 assign ( resid 2112 and name H ) ( resid 2110 and name H ) 2.9 1.0 1.0 volume=0.678 peak=249 ppm1=7.669 ppm2=8.027 assign ( resid 2110 and name H ) ( resid 2107 and name HA or resid 2110 and name HB ) 2.7 0.9 0.9 volume=0.908 peak=240 ppm1=8.024 ppm2=4.171 assign ( resid 2104 and name HD22 ) ( resid 2101 and name HA ) 2.8 1.0 1.0 volume=0.744 peak=189 ppm1=7.852 ppm2=4.151 assign ( resid 2081 and name H ) ( resid 2080 and name HG2 or resid 2080 and name HB3 or resid 2081 and name HB3 or resid 2081 and name HB2 ) 2.4 0.7 0.7 volume=1.804 peak=104 ppm1=9.069 ppm2=2.050 assign ( resid 2049 and name H or resid 2106 and name H ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2049 and name HB3 or resid 2106 and name HB3 ) 2.4 0.7 0.7 volume=1.841 peak=305 ppm1=8.300 ppm2=2.016 assign ( resid 2075 and name H ) ( resid 2074 and name HG2# or resid 2074 and name HG1# ) 2.6 0.9 0.9 volume=1.106 peak=86 ppm1=7.683 ppm2=1.040 assign ( resid 2102 and name H ) ( resid 2102 and name HD1# ) 2.7 0.9 0.9 volume=0.976 peak=166 ppm1=8.592 ppm2=0.792 assign ( resid 2057 and name H ) ( resid 2056 and name HB3 or resid 2057 and name HG3 or resid 2057 and name HG2 ) 2.6 0.8 0.8 volume=1.328 peak=33 ppm1=8.527 ppm2=2.471 assign ( resid 2105 and name H ) ( resid 2105 and name HA ) 2.5 0.8 0.8 volume=1.694 peak=195 ppm1=8.542 ppm2=4.141 assign ( resid 2050 and name H ) ( resid 2050 and name HB3 ) 2.7 0.9 0.9 volume=0.878 peak=4 ppm1=8.723 ppm2=1.963 assign ( resid 2073 and name H ) ( resid 2071 and name HG2# or resid 2073 and name HG2# ) 2.6 0.9 0.9 volume=1.183 peak=312 ppm1=8.192 ppm2=1.277 assign ( resid 2090 and name H ) ( resid 2091 and name H ) 2.6 0.8 0.8 volume=1.282 peak=146 ppm1=9.234 ppm2=7.190 assign ( resid 2136 and name H ) ( resid 2137 and name H ) 2.7 0.9 0.9 volume=0.945 peak=297 ppm1=8.144 ppm2=7.590 assign ( resid 2104 and name HD22 ) ( resid 2104 and name HB3 ) 2.7 0.9 0.9 volume=1.012 peak=185 ppm1=7.852 ppm2=2.893 assign ( resid 2081 and name H ) ( resid 2083 and name H ) 4.0 2.0 2.0 volume=0.098 peak=311 ppm1=9.066 ppm2=7.614 assign ( resid 2081 and name H ) ( resid 2080 and name HD3 ) 3.2 1.3 1.3 volume=0.371 peak=101 ppm1=9.071 ppm2=3.957 assign ( resid 2050 and name H ) ( resid 2050 and name HA ) 2.8 1.0 1.0 volume=0.714 peak=2 ppm1=8.723 ppm2=4.484 assign ( resid 2132 and name H ) ( resid 2132 and name HB2 or resid 2132 and name HG ) 2.4 0.7 0.7 volume=2.123 peak=291 ppm1=8.604 ppm2=2.087 assign ( resid 2113 and name H ) ( resid 2112 and name HA ) 2.3 0.6 0.6 volume=2.813 peak=260 ppm1=8.575 ppm2=4.289 assign ( resid 2104 and name H ) ( resid 2103 and name HA ) 3.0 1.1 1.1 volume=0.490 peak=172 ppm1=8.884 ppm2=3.696 assign ( resid 2109 and name H ) ( resid 2106 and name HA or resid 2107 and name HA or resid 2110 and name HB ) 2.7 0.9 0.9 volume=0.937 peak=221 ppm1=8.243 ppm2=4.174 assign ( resid 2098 and name H ) ( resid 2097 and name HD1# or resid 2097 and name HD2# ) 3.0 1.1 1.1 volume=0.552 peak=159 ppm1=8.909 ppm2=0.992 assign ( resid 2066 and name H ) ( resid 2066 and name HD1# or resid 2066 and name HD2# ) 2.7 0.9 0.9 volume=0.921 peak=55 ppm1=7.771 ppm2=0.833 assign ( resid 2113 and name H ) ( resid 2113 and name HA ) 2.7 0.9 0.9 volume=0.986 peak=259 ppm1=8.575 ppm2=4.633 assign ( resid 2088 and name H ) ( resid 2091 and name HB3 or resid 2091 and name HB2 ) 2.9 1.1 1.1 volume=0.616 peak=132 ppm1=8.786 ppm2=2.847 assign ( resid 2071 and name H ) ( resid 2070 and name HB# ) 2.5 0.8 0.8 volume=1.431 peak=71 ppm1=8.202 ppm2=1.441 assign ( resid 2060 and name HE22 ) ( resid 2129 and name HG2# ) 3.2 1.2 1.2 volume=0.382 peak=47 ppm1=7.060 ppm2=1.101 assign ( resid 2113 and name H ) ( resid 2112 and name HD2# or resid 2112 and name HD1# ) 2.7 0.9 0.9 volume=1.063 peak=258 ppm1=8.576 ppm2=0.686 assign ( resid 2076 and name H ) ( resid 2074 and name HB ) 3.9 1.9 1.9 volume=0.105 peak=310 ppm1=7.772 ppm2=2.201 assign ( resid 2088 and name H ) ( resid 2124 and name HG2# ) 2.9 1.0 1.0 volume=0.663 peak=131 ppm1=8.785 ppm2=1.015 assign ( resid 2071 and name H ) ( resid 2071 and name HB ) 2.8 1.0 1.0 volume=0.802 peak=70 ppm1=8.202 ppm2=3.692 assign ( resid 2113 and name H ) ( resid 2112 and name HB2 ) 2.8 1.0 1.0 volume=0.771 peak=257 ppm1=8.576 ppm2=1.063 assign ( resid 2109 and name HD21 ) ( resid 2109 and name H ) 3.2 1.2 1.2 volume=0.385 peak=224 ppm1=7.360 ppm2=8.250 assign ( resid 2137 and name H ) ( resid 2136 and name H ) 2.6 0.8 0.8 volume=1.355 peak=298 ppm1=7.589 ppm2=8.146 assign ( resid 2086 and name H ) ( resid 2085 and name HD2 ) 2.8 1.0 1.0 volume=0.751 peak=125 ppm1=7.612 ppm2=3.836 assign ( resid 2109 and name HD22 ) ( resid 2109 and name HB3 ) 2.8 1.0 1.0 volume=0.776 peak=228 ppm1=7.447 ppm2=2.699 assign ( resid 2059 and name HE21 ) ( resid 2051 and name HG or resid 2051 and name HB2 ) 3.0 1.1 1.1 volume=0.534 peak=45 ppm1=7.413 ppm2=1.613 assign ( resid 2104 and name HD22 ) ( resid 2104 and name HB2 ) 2.7 0.9 0.9 volume=1.047 peak=184 ppm1=7.851 ppm2=3.084 assign ( resid 2124 and name H ) ( resid 2123 and name HB3 or resid 2123 and name HB2 ) 2.8 1.0 1.0 volume=0.727 peak=285 ppm1=7.446 ppm2=2.364 assign ( resid 2086 and name H ) ( resid 2085 and name HG3 or resid 2085 and name HG2 or resid 2085 and name HB2 ) 2.6 0.9 0.9 volume=1.151 peak=121 ppm1=7.612 ppm2=2.017 assign ( resid 2063 and name H ) ( resid 2063 and name HB3 ) 2.6 0.8 0.8 volume=1.236 peak=53 ppm1=7.938 ppm2=2.000 assign ( resid 2104 and name H ) ( resid 2103 and name H ) 2.6 0.9 0.9 volume=1.187 peak=174 ppm1=8.883 ppm2=7.806 assign ( resid 2054 and name H ) ( resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HB2 or resid 2054 and name HG ) 2.4 0.7 0.7 volume=1.961 peak=15 ppm1=7.409 ppm2=1.601 assign ( resid 2062 and name H ) ( resid 2062 and name HG2# ) 2.8 1.0 1.0 volume=0.789 peak=52 ppm1=8.394 ppm2=1.206 assign ( resid 2071 and name H ) ( resid 2072 and name H ) 2.6 0.9 0.9 volume=1.136 peak=67 ppm1=8.203 ppm2=8.377 assign ( resid 2104 and name HD21 ) ( resid 2104 and name HA ) 3.4 1.5 1.5 volume=0.227 peak=181 ppm1=6.968 ppm2=4.400 assign ( resid 2122 and name H ) ( resid 2123 and name HD2 ) 3.2 1.3 1.3 volume=0.346 peak=280 ppm1=7.321 ppm2=3.672 assign ( resid 2104 and name HD22 ) ( resid 2104 and name H ) 3.3 1.4 1.4 volume=0.295 peak=190 ppm1=7.851 ppm2=8.887 assign ( resid 2104 and name H ) ( resid 2104 and name HB3 ) 2.6 0.8 0.8 volume=1.323 peak=171 ppm1=8.883 ppm2=2.893 assign ( resid 2071 and name H ) ( resid 2070 and name H ) 2.6 0.8 0.8 volume=1.279 peak=66 ppm1=8.203 ppm2=8.572 assign ( resid 2059 and name H ) ( resid 2054 and name HB2 or resid 2054 and name HG ) 3.1 1.2 1.2 volume=0.443 peak=41 ppm1=9.122 ppm2=1.588 assign ( resid 2138 and name HE21 ) ( resid 2134 and name HG2# ) 3.2 1.3 1.3 volume=0.355 peak=301 ppm1=7.598 ppm2=1.221 assign ( resid 2089 and name H ) ( resid 2088 and name HA or resid 2124 and name HA ) 2.3 0.6 0.6 volume=2.870 peak=139 ppm1=8.653 ppm2=4.460 assign ( resid 2092 and name H ) ( resid 2092 and name HD2# ) 2.6 0.8 0.8 volume=1.237 peak=153 ppm1=7.818 ppm2=0.913 assign ( resid 2079 and name H ) ( resid 2072 and name HB# ) 3.6 1.6 1.6 volume=0.175 peak=308 ppm1=8.742 ppm2=1.409 assign ( resid 2052 and name H ) ( resid 2050 and name H or resid 2051 and name H ) 3.1 1.2 1.2 volume=0.453 peak=12 ppm1=8.322 ppm2=8.753 assign ( resid 2106 and name H ) ( resid 2105 and name HG2# or resid 2107 and name HG2# ) 2.7 0.9 0.9 volume=0.911 peak=313 ppm1=8.305 ppm2=1.311 assign ( resid 2137 and name H ) ( resid 2137 and name HG2# ) 2.5 0.8 0.8 volume=1.392 peak=299 ppm1=7.589 ppm2=0.990 assign ( resid 2109 and name HD22 ) ( resid 2066 and name HD1# or resid 2066 and name HD2# ) 2.9 1.0 1.0 volume=0.680 peak=230 ppm1=7.448 ppm2=0.842 assign ( resid 2104 and name H ) ( resid 2104 and name HA ) 2.5 0.8 0.8 volume=1.472 peak=173 ppm1=8.884 ppm2=4.404 assign ( resid 2055 and name H ) ( resid 2054 and name H ) 3.3 1.4 1.4 volume=0.286 peak=21 ppm1=9.050 ppm2=7.422 assign ( resid 2055 and name H ) ( resid 2058 and name H ) 3.2 1.3 1.3 volume=0.345 peak=20 ppm1=9.048 ppm2=7.935 assign ( resid 2121 and name H ) ( resid 2120 and name HB3 ) 2.7 0.9 0.9 volume=0.907 peak=277 ppm1=8.009 ppm2=3.210 assign ( resid 2111 and name H ) ( resid 2110 and name HG2# ) 2.9 1.1 1.1 volume=0.585 peak=243 ppm1=8.239 ppm2=1.280 assign ( resid 2099 and name H ) ( resid 2095 and name H ) 3.2 1.3 1.3 volume=0.369 peak=160 ppm1=8.999 ppm2=8.062 assign ( resid 2105 and name H ) ( resid 2065 and name HG2# or resid 2105 and name HG2# or resid 2107 and name HG2# ) 2.7 0.9 0.9 volume=0.934 peak=193 ppm1=8.542 ppm2=1.317 assign ( resid 2111 and name H ) ( resid 2110 and name HA ) 2.6 0.8 0.8 volume=1.226 peak=244 ppm1=8.238 ppm2=4.559 assign ( resid 2112 and name H ) ( resid 2113 and name H ) 3.3 1.3 1.3 volume=0.301 peak=247 ppm1=7.669 ppm2=8.580 assign ( resid 2058 and name H ) ( resid 2057 and name H ) 2.8 1.0 1.0 volume=0.707 peak=38 ppm1=7.939 ppm2=8.543 assign ( resid 2128 and name H ) ( resid 2124 and name H ) 3.2 1.3 1.3 volume=0.373 peak=176 ppm1=8.886 ppm2=7.457 assign ( resid 2089 and name H ) ( resid 2125 and name HD3 ) 3.4 1.4 1.4 volume=0.243 peak=140 ppm1=8.649 ppm2=3.746 assign ( resid 2100 and name H ) ( resid 2100 and name HD2# or resid 2100 and name HD1# ) 2.7 0.9 0.9 volume=1.058 peak=151 ppm1=7.228 ppm2=1.026 assign ( resid 2134 and name H ) ( resid 2133 and name HB3 ) 2.7 0.9 0.9 volume=0.972 peak=293 ppm1=8.272 ppm2=3.291 assign ( resid 2073 and name H ) ( resid 2074 and name HB ) 3.5 1.5 1.5 volume=0.215 peak=79 ppm1=8.193 ppm2=2.195 assign ( resid 2057 and name H ) ( resid 2059 and name H ) 3.6 1.6 1.6 volume=0.165 peak=30 ppm1=8.528 ppm2=9.111 assign ( resid 2108 and name H ) ( resid 2109 and name H or resid 2111 and name H ) 2.5 0.8 0.8 volume=1.440 peak=210 ppm1=8.004 ppm2=8.248 assign ( resid 2076 and name H ) ( resid 2074 and name HG2# or resid 2074 and name HG1# ) 3.5 1.5 1.5 volume=0.214 peak=95 ppm1=7.774 ppm2=1.028 assign ( resid 2140 and name H ) ( resid 2140 and name HB3 ) 2.7 0.9 0.9 volume=1.010 peak=303 ppm1=8.056 ppm2=3.072 assign ( resid 2104 and name H ) ( resid 2103 and name HD3 or resid 2104 and name HB2 ) 2.5 0.8 0.8 volume=1.547 peak=170 ppm1=8.884 ppm2=3.088 assign ( resid 2114 and name H ) ( resid 2113 and name HB3 ) 3.0 1.2 1.2 volume=0.482 peak=266 ppm1=7.916 ppm2=2.544 assign ( resid 2069 and name H ) ( resid 2080 and name HG3 or resid 2080 and name HB2 or resid 2080 and name HB3 ) 2.9 1.1 1.1 volume=0.610 peak=61 ppm1=8.643 ppm2=2.139 assign ( resid 2059 and name HE22 ) ( resid 2051 and name HG or resid 2051 and name HB2 ) 3.1 1.2 1.2 volume=0.436 peak=44 ppm1=7.103 ppm2=1.610 assign ( resid 2073 and name H ) ( resid 2073 and name HA ) 2.6 0.9 0.9 volume=1.181 peak=77 ppm1=8.191 ppm2=3.941 assign ( resid 2050 and name H ) ( resid 2050 and name HB2 ) 2.8 1.0 1.0 volume=0.825 peak=5 ppm1=8.723 ppm2=1.849 assign ( resid 2117 and name H ) ( resid 2115 and name HB2 ) 2.8 0.9 0.9 volume=0.870 peak=270 ppm1=6.818 ppm2=2.440 assign ( resid 2058 and name H ) ( resid 2058 and name HA ) 2.6 0.8 0.8 volume=1.228 peak=37 ppm1=7.939 ppm2=4.151 assign ( resid 2089 and name H ) ( resid 2090 and name H ) 2.9 1.1 1.1 volume=0.626 peak=137 ppm1=8.651 ppm2=9.237 assign ( resid 2072 and name H ) ( resid 2071 and name HB or resid 2072 and name HA ) 2.6 0.9 0.9 volume=1.125 peak=74 ppm1=8.385 ppm2=3.705 assign ( resid 2075 and name H ) ( resid 2072 and name HB# or resid 2075 and name HB3 ) 2.6 0.8 0.8 volume=1.263 peak=85 ppm1=7.683 ppm2=1.380 assign ( resid 2083 and name H ) ( resid 2081 and name H ) 3.8 1.8 1.8 volume=0.135 peak=117 ppm1=7.612 ppm2=9.077 assign ( resid 2133 and name H ) ( resid 2063 and name HD1# or resid 2063 and name HD2# ) 2.5 0.8 0.8 volume=1.554 peak=292 ppm1=8.546 ppm2=0.857 assign ( resid 2088 and name H ) ( resid 2088 and name HA ) 2.6 0.9 0.9 volume=1.108 peak=134 ppm1=8.784 ppm2=4.460 assign ( resid 2121 and name H ) ( resid 2120 and name HB2 ) 2.7 0.9 0.9 volume=0.958 peak=278 ppm1=8.007 ppm2=2.975 assign ( resid 2054 and name H ) ( resid 2054 and name HB3 ) 2.6 0.8 0.8 volume=1.338 peak=14 ppm1=7.408 ppm2=1.877 assign ( resid 2075 and name H ) ( resid 2075 and name HB2 ) 2.6 0.9 0.9 volume=1.155 peak=84 ppm1=7.683 ppm2=1.584 assign ( resid 2090 and name H ) ( resid 2089 and name HB2 or resid 2089 and name HB3 or resid 2091 and name HB3 or resid 2091 and name HB2 ) 2.7 0.9 0.9 volume=1.024 peak=145 ppm1=9.234 ppm2=2.814 assign ( resid 2107 and name H ) ( resid 2108 and name H ) 2.6 0.9 0.9 volume=1.095 peak=209 ppm1=9.166 ppm2=8.006 assign ( resid 2068 and name H ) ( resid 2067 and name HA ) 3.1 1.2 1.2 volume=0.433 peak=58 ppm1=8.569 ppm2=3.529 assign ( resid 2091 and name H ) ( resid 2090 and name H ) 2.7 0.9 0.9 volume=1.048 peak=147 ppm1=7.190 ppm2=9.238 assign ( resid 2120 and name H ) ( resid 2120 and name HB3 ) 2.6 0.9 0.9 volume=1.160 peak=161 ppm1=7.517 ppm2=3.211 assign ( resid 2075 and name H ) ( resid 2075 and name HG ) 2.6 0.8 0.8 volume=1.206 peak=83 ppm1=7.685 ppm2=1.764 assign ( resid 2118 and name H ) ( resid 2118 and name HD2# or resid 2119 and name HG12 ) 2.7 0.9 0.9 volume=0.950 peak=272 ppm1=7.365 ppm2=1.100 assign ( resid 2070 and name H ) ( resid 2067 and name HA ) 3.2 1.3 1.3 volume=0.337 peak=64 ppm1=8.562 ppm2=3.532 assign ( resid 2110 and name H ) ( resid 2111 and name HA2 ) 3.3 1.4 1.4 volume=0.280 peak=235 ppm1=8.022 ppm2=3.799 assign ( resid 2057 and name H ) ( resid 2055 and name HB2 or resid 2057 and name HA ) 2.6 0.8 0.8 volume=1.323 peak=32 ppm1=8.527 ppm2=4.070 assign ( resid 2082 and name H ) ( resid 2082 and name HA ) 2.5 0.8 0.8 volume=1.567 peak=111 ppm1=8.105 ppm2=4.421 assign ( resid 2082 and name H ) ( resid 2083 and name H ) 2.6 0.8 0.8 volume=1.242 peak=115 ppm1=8.109 ppm2=7.607 assign ( resid 2118 and name H ) ( resid 2115 and name HB3 or resid 2118 and name HB3 ) 2.4 0.7 0.7 volume=1.891 peak=271 ppm1=7.367 ppm2=2.052 assign ( resid 2052 and name H ) ( resid 2052 and name HB3 or resid 2052 and name HB2 ) 2.5 0.8 0.8 volume=1.412 peak=10 ppm1=8.321 ppm2=2.778 assign ( resid 2107 and name H ) ( resid 2104 and name HA or resid 2107 and name HB ) 2.3 0.7 0.7 volume=2.299 peak=205 ppm1=9.166 ppm2=4.346 assign ( resid 2107 and name H ) ( resid 2107 and name HG2# ) 2.5 0.8 0.8 volume=1.412 peak=202 ppm1=9.166 ppm2=1.323 assign ( resid 2120 and name H ) ( resid 2120 and name HB2 ) 2.6 0.8 0.8 volume=1.288 peak=162 ppm1=7.516 ppm2=2.978 assign ( resid 2082 and name H ) ( resid 2082 and name HB2 ) 2.7 0.9 0.9 volume=0.999 peak=114 ppm1=8.110 ppm2=3.885 assign ( resid 2098 and name H ) ( resid 2095 and name H ) 3.0 1.1 1.1 volume=0.489 peak=158 ppm1=8.908 ppm2=8.059 assign ( resid 2075 and name H ) ( resid 2073 and name H ) 3.4 1.4 1.4 volume=0.253 peak=92 ppm1=7.683 ppm2=8.202 assign ( resid 2107 and name H ) ( resid 2106 and name HB3 ) 2.9 1.1 1.1 volume=0.597 peak=201 ppm1=9.165 ppm2=1.976 assign ( resid 2109 and name H ) ( resid 2107 and name H ) 3.6 1.6 1.6 volume=0.173 peak=223 ppm1=8.246 ppm2=9.180 assign ( resid 2057 and name H ) ( resid 2058 and name H ) 2.8 1.0 1.0 volume=0.722 peak=29 ppm1=8.529 ppm2=7.940 assign ( resid 2134 and name H ) ( resid 2133 and name HB2 ) 2.8 1.0 1.0 volume=0.728 peak=294 ppm1=8.273 ppm2=2.983 assign ( resid 2054 and name H ) ( resid 2053 and name HA2 ) 2.9 1.1 1.1 volume=0.586 peak=18 ppm1=7.411 ppm2=4.070 assign ( resid 2104 and name H or resid 2128 and name H ) ( resid 2103 and name HB3 or resid 2128 and name HB2 ) 2.4 0.7 0.7 volume=1.934 peak=169 ppm1=8.884 ppm2=2.030 assign ( resid 2095 and name H ) ( resid 2098 and name H or resid 2099 and name H ) 3.0 1.1 1.1 volume=0.514 peak=155 ppm1=8.055 ppm2=8.964 assign ( resid 2054 and name H ) ( resid 2059 and name HG2 ) 3.3 1.3 1.3 volume=0.307 peak=16 ppm1=7.412 ppm2=2.830 assign ( resid 2126 and name H ) ( resid 2126 and name HD2 ) 3.6 1.6 1.6 volume=0.167 peak=28 ppm1=9.071 ppm2=6.932 assign ( resid 2124 and name H ) ( resid 2128 and name H ) 3.0 1.2 1.2 volume=0.473 peak=290 ppm1=7.446 ppm2=8.896 assign ( resid 2076 and name H ) ( resid 2076 and name HA2 ) 2.5 0.8 0.8 volume=1.735 peak=1 ppm1=7.775 ppm2=3.782 assign ( resid 2111 and name H ) ( resid 2108 and name H or resid 2110 and name H ) 2.5 0.8 0.8 volume=1.717 peak=241 ppm1=8.238 ppm2=8.018 assign ( resid 2109 and name H ) ( resid 2109 and name HB3 ) 2.6 0.8 0.8 volume=1.302 peak=218 ppm1=8.244 ppm2=2.700 assign ( resid 2119 and name H ) ( resid 2119 and name HD1# or resid 2119 and name HG2# ) 2.7 0.9 0.9 volume=1.026 peak=276 ppm1=8.120 ppm2=0.261 assign ( resid 2110 and name H ) ( resid 2110 and name HG2# ) 2.6 0.8 0.8 volume=1.294 peak=239 ppm1=8.022 ppm2=1.264 assign ( resid 2076 and name H ) ( resid 2073 and name HA ) 2.9 1.0 1.0 volume=0.705 peak=316 ppm1=7.774 ppm2=3.934 assign ( resid 2107 and name H ) ( resid 2105 and name H ) 3.5 1.5 1.5 volume=0.210 peak=207 ppm1=9.164 ppm2=8.540 assign ( resid 2118 and name H ) ( resid 2115 and name HD2 ) 3.5 1.5 1.5 volume=0.219 peak=274 ppm1=7.364 ppm2=3.707 assign ( resid 2118 and name H ) ( resid 2118 and name HD1# ) 2.8 1.0 1.0 volume=0.797 peak=273 ppm1=7.366 ppm2=0.921 assign ( resid 2136 and name H ) ( resid 2136 and name HG or resid 2136 and name HB3 ) 2.3 0.7 0.7 volume=2.271 peak=295 ppm1=8.144 ppm2=1.771 assign ( resid 2108 and name H ) ( resid 2108 and name HB2 or resid 2108 and name HB3 ) 2.3 0.6 0.6 volume=2.822 peak=213 ppm1=8.004 ppm2=3.320 assign ( resid 2106 and name H ) ( resid 2105 and name H ) 2.6 0.9 0.9 volume=1.093 peak=200 ppm1=8.299 ppm2=8.548 assign ( resid 2138 and name HE22 ) ( resid 2134 and name HG2# ) 3.2 1.3 1.3 volume=0.335 peak=302 ppm1=6.910 ppm2=1.221 assign ( resid 2101 and name H ) ( resid 2098 and name HA or resid 2100 and name HA or resid 2101 and name HA ) 2.3 0.7 0.7 volume=2.436 peak=164 ppm1=7.551 ppm2=4.123 assign ( resid 2055 and name H ) ( resid 2054 and name HD1# or resid 2054 and name HD2# ) 2.7 0.9 0.9 volume=1.028 peak=25 ppm1=9.050 ppm2=0.831 assign ( resid 2104 and name HD21 ) ( resid 2104 and name HB3 ) 2.8 1.0 1.0 volume=0.808 peak=180 ppm1=6.968 ppm2=2.893 assign ( resid 2112 and name H ) ( resid 2112 and name HG ) 2.5 0.8 0.8 volume=1.376 peak=252 ppm1=7.670 ppm2=1.404 assign ( resid 2082 and name H ) ( resid 2083 and name HG12 ) 3.1 1.2 1.2 volume=0.438 peak=109 ppm1=8.103 ppm2=1.438 assign ( resid 2087 and name H ) ( resid 2086 and name HA or resid 2088 and name HA ) 2.6 0.9 0.9 volume=1.133 peak=126 ppm1=7.563 ppm2=4.459 assign ( resid 2112 and name H ) ( resid 2111 and name HA2 ) 3.0 1.1 1.1 volume=0.547 peak=251 ppm1=7.671 ppm2=3.802 assign ( resid 2086 and name H ) ( resid 2085 and name HB3 ) 3.1 1.2 1.2 volume=0.394 peak=120 ppm1=7.612 ppm2=2.422 assign ( resid 2089 and name H ) ( resid 2124 and name HG2# ) 2.7 0.9 0.9 volume=1.019 peak=142 ppm1=8.650 ppm2=1.019 assign ( resid 2082 and name H ) ( resid 2083 and name HG13 ) 3.2 1.3 1.3 volume=0.376 peak=108 ppm1=8.106 ppm2=1.671 assign ( resid 2081 and name H ) ( resid 2081 and name HG2 or resid 2081 and name HG3 ) 2.7 0.9 0.9 volume=0.980 peak=103 ppm1=9.069 ppm2=2.315 assign ( resid 2104 and name HD21 ) ( resid 2100 and name HD2# or resid 2100 and name HD1# ) 2.9 1.1 1.1 volume=0.581 peak=178 ppm1=6.969 ppm2=1.039 assign ( resid 2112 and name H ) ( resid 2111 and name H ) 2.6 0.8 0.8 volume=1.369 peak=248 ppm1=7.670 ppm2=8.240 assign ( resid 2070 and name H ) ( resid 2071 and name H or resid 2073 and name H ) 2.6 0.8 0.8 volume=1.367 peak=65 ppm1=8.566 ppm2=8.211 assign ( resid 2091 and name H ) ( resid 2091 and name HA ) 2.5 0.8 0.8 volume=1.634 peak=149 ppm1=7.190 ppm2=4.632 assign ( resid 2111 and name H ) ( resid 2110 and name HB or resid 2111 and name HA3 ) 2.4 0.7 0.7 volume=1.999 peak=245 ppm1=8.238 ppm2=4.142 assign ( resid 2102 and name H ) ( resid 2102 and name HB2 ) 2.5 0.8 0.8 volume=1.587 peak=165 ppm1=8.594 ppm2=1.843 assign ( resid 2074 and name H ) ( resid 2074 and name HG2# or resid 2074 and name HG1# ) 2.2 0.6 0.6 volume=2.980 peak=80 ppm1=7.911 ppm2=1.052 assign ( resid 2119 and name H ) ( resid 2118 and name HD1# ) 3.0 1.1 1.1 volume=0.487 peak=275 ppm1=8.122 ppm2=0.929 assign ( resid 2086 and name H ) ( resid 2085 and name HA ) 3.0 1.1 1.1 volume=0.545 peak=124 ppm1=7.613 ppm2=4.220 assign ( resid 2070 and name H ) ( resid 2070 and name HA ) 2.4 0.7 0.7 volume=1.800 peak=63 ppm1=8.565 ppm2=4.195 assign ( resid 2128 and name H ) ( resid 2089 and name HE# ) 3.3 1.4 1.4 volume=0.297 peak=175 ppm1=8.887 ppm2=7.643 assign ( resid 2076 and name H ) ( resid 2075 and name HD2# or resid 2075 and name HD1# ) 3.1 1.2 1.2 volume=0.442 peak=96 ppm1=7.776 ppm2=0.800 assign ( resid 2105 and name H ) ( resid 2104 and name H ) 2.6 0.9 0.9 volume=1.142 peak=197 ppm1=8.542 ppm2=8.885 assign ( resid 2060 and name HE21 ) ( resid 2129 and name HG2# ) 3.4 1.4 1.4 volume=0.267 peak=46 ppm1=6.827 ppm2=1.100 assign ( resid 2057 and name H ) ( resid 2055 and name HB3 or resid 2056 and name HA ) 3.1 1.2 1.2 volume=0.419 peak=31 ppm1=8.526 ppm2=4.407 assign ( resid 2105 and name H ) ( resid 2104 and name HB2 ) 2.8 1.0 1.0 volume=0.828 peak=191 ppm1=8.543 ppm2=3.085 assign ( resid 2120 and name H ) ( resid 2120 and name HA ) 2.7 0.9 0.9 volume=1.052 peak=163 ppm1=7.522 ppm2=4.410 assign ( resid 2058 and name H ) ( resid 2057 and name HG3 or resid 2057 and name HG2 or resid 2058 and name HG2 or resid 2058 and name HG3 ) 2.2 0.6 0.6 volume=2.919 peak=36 ppm1=7.940 ppm2=2.473 assign ( resid 2089 and name H ) ( resid 2089 and name HD# ) 2.9 1.0 1.0 volume=0.701 peak=138 ppm1=8.652 ppm2=7.168 assign ( resid 2117 and name H ) ( resid 2116 and name HD2 or resid 2116 and name HD3 ) 2.8 1.0 1.0 volume=0.820 peak=269 ppm1=6.818 ppm2=3.931 assign ( resid 2057 and name H ) ( resid 2057 and name HB3 ) 2.4 0.7 0.7 volume=1.843 peak=34 ppm1=8.528 ppm2=2.109 assign ( resid 2050 and name H ) ( resid 2049 and name HG2 or resid 2049 and name HG3 ) 3.3 1.4 1.4 volume=0.294 peak=6 ppm1=8.723 ppm2=2.465 assign ( resid 2114 and name H ) ( resid 2113 and name HB2 ) 3.0 1.1 1.1 volume=0.502 peak=265 ppm1=7.914 ppm2=2.695 assign ( resid 2068 and name H ) ( resid 2067 and name HG2# or resid 2067 and name HG1# ) 2.6 0.9 0.9 volume=1.145 peak=60 ppm1=8.569 ppm2=1.100 assign ( resid 2084 and name H ) ( resid 2083 and name HB ) 3.3 1.4 1.4 volume=0.294 peak=119 ppm1=8.334 ppm2=2.194 assign ( resid 2087 and name H ) ( resid 2086 and name HB# or resid 2087 and name HG2# ) 2.4 0.7 0.7 volume=2.002 peak=128 ppm1=7.563 ppm2=1.347 assign ( resid 2081 and name H ) ( resid 2082 and name H ) 3.0 1.1 1.1 volume=0.517 peak=99 ppm1=9.071 ppm2=8.107 assign ( resid 2068 and name H ) ( resid 2067 and name HB ) 2.6 0.8 0.8 volume=1.220 peak=59 ppm1=8.568 ppm2=2.259 assign ( resid 2091 and name H ) ( resid 2088 and name H ) 3.4 1.4 1.4 volume=0.264 peak=148 ppm1=7.191 ppm2=8.794 assign ( resid 2107 and name H ) ( resid 2108 and name HB2 or resid 2108 and name HB3 ) 3.3 1.4 1.4 volume=0.286 peak=204 ppm1=9.166 ppm2=3.306 assign ( resid 2051 and name H ) ( resid 2052 and name H ) 3.1 1.2 1.2 volume=0.420 peak=8 ppm1=8.745 ppm2=8.324 assign ( resid 2108 and name H ) ( resid 2108 and name HA ) 2.3 0.7 0.7 volume=2.460 peak=212 ppm1=8.004 ppm2=4.373 assign ( resid 2107 and name H ) ( resid 2103 and name HA ) 3.6 1.6 1.6 volume=0.180 peak=314 ppm1=9.163 ppm2=3.710 assign ( resid 2114 and name H ) ( resid 2114 and name HB2 or resid 2114 and name HG ) 2.5 0.8 0.8 volume=1.547 peak=267 ppm1=7.914 ppm2=1.589 assign ( resid 2072 and name H ) ( resid 2072 and name HB# ) 2.3 0.6 0.6 volume=2.752 peak=73 ppm1=8.384 ppm2=1.406 assign ( resid 2122 and name H ) ( resid 2119 and name HD1# or resid 2119 and name HG2# ) 3.5 1.5 1.5 volume=0.218 peak=283 ppm1=7.322 ppm2=0.246 assign ( resid 2113 and name H ) ( resid 2114 and name H ) 3.3 1.3 1.3 volume=0.303 peak=261 ppm1=8.577 ppm2=7.920 assign ( resid 2088 and name H ) ( resid 2087 and name HA ) 2.1 0.6 0.6 volume=4.200 peak=133 ppm1=8.785 ppm2=4.010 assign ( resid 2081 and name H ) ( resid 2081 and name HA ) 2.7 0.9 0.9 volume=0.921 peak=100 ppm1=9.071 ppm2=4.142 assign ( resid 2058 and name H ) ( resid 2055 and name H or resid 2059 and name H ) 2.7 0.9 0.9 volume=1.026 peak=39 ppm1=7.941 ppm2=9.117 assign ( resid 2076 and name H ) ( resid 2075 and name HB2 ) 3.2 1.3 1.3 volume=0.339 peak=93 ppm1=7.775 ppm2=1.577 assign ( resid 2055 and name H ) ( resid 2054 and name HA ) 2.4 0.7 0.7 volume=2.241 peak=22 ppm1=9.049 ppm2=4.684 assign ( resid 2072 and name H ) ( resid 2083 and name HD1# or resid 2083 and name HG2# ) 2.6 0.9 0.9 volume=1.203 peak=72 ppm1=8.381 ppm2=0.779 assign ( resid 2109 and name HD21 ) ( resid 2109 and name HB3 ) 3.2 1.3 1.3 volume=0.328 peak=229 ppm1=7.360 ppm2=2.699 assign ( resid 2050 and name H ) ( resid 2050 and name HD3 or resid 2050 and name HD2 ) 3.7 1.7 1.7 volume=0.140 peak=7 ppm1=8.721 ppm2=3.216 assign ( resid 2122 and name H ) ( resid 2121 and name HB3 ) 2.8 1.0 1.0 volume=0.829 peak=282 ppm1=7.322 ppm2=1.911 assign ( resid 2071 and name H ) ( resid 2068 and name HA or resid 2069 and name HA ) 3.0 1.1 1.1 volume=0.550 peak=69 ppm1=8.204 ppm2=4.052 assign ( resid 2109 and name H ) ( resid 2108 and name HB2 or resid 2108 and name HB3 ) 2.5 0.8 0.8 volume=1.485 peak=216 ppm1=8.245 ppm2=3.323 assign ( resid 2086 and name H ) ( resid 2086 and name HA ) 2.5 0.8 0.8 volume=1.593 peak=123 ppm1=7.612 ppm2=4.460 assign ( resid 2111 and name H ) ( resid 2112 and name H ) 2.6 0.9 0.9 volume=1.182 peak=242 ppm1=8.238 ppm2=7.669 assign ( resid 2109 and name HD21 ) ( resid 2109 and name HA ) 3.1 1.2 1.2 volume=0.429 peak=225 ppm1=7.359 ppm2=4.607 assign ( resid 2109 and name H ) ( resid 2109 and name HB2 ) 2.6 0.9 0.9 volume=1.187 peak=217 ppm1=8.245 ppm2=2.851 assign ( resid 2103 and name H ) ( resid 2104 and name H ) 2.8 1.0 1.0 volume=0.755 peak=154 ppm1=7.790 ppm2=8.890 assign ( resid 2124 and name H ) ( resid 2124 and name HA or resid 2124 and name HB ) 2.6 0.8 0.8 volume=1.353 peak=284 ppm1=7.447 ppm2=4.454 assign ( resid 2063 and name H ) ( resid 2063 and name HG ) 2.6 0.9 0.9 volume=1.142 peak=54 ppm1=7.938 ppm2=1.826 assign ( resid 2124 and name H ) ( resid 2124 and name HG2# ) 2.6 0.8 0.8 volume=1.304 peak=287 ppm1=7.447 ppm2=1.020 assign ( resid 2088 and name H ) ( resid 2088 and name HB# ) 2.2 0.6 0.6 volume=3.491 peak=129 ppm1=8.785 ppm2=1.541 assign ( resid 2140 and name H ) ( resid 2139 and name HB2 or resid 2139 and name HB3 ) 2.8 1.0 1.0 volume=0.743 peak=304 ppm1=8.056 ppm2=3.876 assign ( resid 2106 and name H ) ( resid 2105 and name HB or resid 2107 and name HB ) 2.4 0.7 0.7 volume=1.904 peak=198 ppm1=8.299 ppm2=4.320 assign ( resid 2071 and name H ) ( resid 2071 and name HA or resid 2073 and name HB ) 2.5 0.8 0.8 volume=1.395 peak=68 ppm1=8.202 ppm2=4.323 assign ( resid 2124 and name H ) ( resid 2127 and name HB# ) 2.2 0.6 0.6 volume=3.385 peak=286 ppm1=7.447 ppm2=1.716 assign ( resid 2059 and name HE22 ) ( resid 2137 and name HG2# ) 3.2 1.3 1.3 volume=0.364 peak=43 ppm1=7.105 ppm2=0.979 assign ( resid 2062 and name H ) ( resid 2061 and name HG3 or resid 2061 and name HG2 ) 2.9 1.1 1.1 volume=0.589 peak=51 ppm1=8.395 ppm2=2.471 assign ( resid 2104 and name HD22 ) ( resid 2100 and name HD2# or resid 2100 and name HD1# ) 3.2 1.3 1.3 volume=0.361 peak=187 ppm1=7.852 ppm2=1.038 assign ( resid 2122 and name H ) ( resid 2119 and name HA ) 2.9 1.1 1.1 volume=0.600 peak=279 ppm1=7.323 ppm2=3.861 assign ( resid 2107 and name H ) ( resid 2106 and name H ) 2.6 0.8 0.8 volume=1.220 peak=208 ppm1=9.165 ppm2=8.291 assign ( resid 2105 and name H ) ( resid 2106 and name H ) 2.6 0.9 0.9 volume=1.116 peak=196 ppm1=8.542 ppm2=8.296 assign ( resid 2054 and name H ) ( resid 2054 and name HD1# or resid 2054 and name HD2# ) 2.6 0.8 0.8 volume=1.368 peak=13 ppm1=7.409 ppm2=0.848 assign ( resid 2124 and name H ) ( resid 2123 and name HA ) 2.9 1.0 1.0 volume=0.695 peak=288 ppm1=7.448 ppm2=5.182 assign ( resid 2109 and name HD21 ) ( resid 2109 and name HB2 ) 3.2 1.3 1.3 volume=0.346 peak=227 ppm1=7.359 ppm2=2.854 assign ( resid 2108 and name H ) ( resid 2105 and name HG2# or resid 2107 and name HG2# ) 2.7 0.9 0.9 volume=0.993 peak=214 ppm1=8.004 ppm2=1.321 assign ( resid 2059 and name H ) ( resid 2058 and name HG2 or resid 2058 and name HG3 or resid 2058 and name HB3 ) 2.6 0.9 0.9 volume=1.125 peak=40 ppm1=9.120 ppm2=2.467 assign ( resid 2110 and name H ) ( resid 2109 and name HB3 ) 3.2 1.2 1.2 volume=0.381 peak=237 ppm1=8.019 ppm2=2.698 assign ( resid 2070 and name H ) ( resid 2070 and name HB# or resid 2102 and name HB3 ) 2.2 0.6 0.6 volume=3.174 peak=62 ppm1=8.567 ppm2=1.462 assign ( resid 2081 and name H ) ( resid 2079 and name HG2# ) 3.2 1.3 1.3 volume=0.353 peak=105 ppm1=9.072 ppm2=1.223 assign ( resid 2130 and name H or resid 2135 and name H ) ( resid 2129 and name HB or resid 2132 and name HA ) 2.8 1.0 1.0 volume=0.742 peak=81 ppm1=7.906 ppm2=3.562 assign ( resid 2104 and name HD21 ) ( resid 2100 and name HG ) 3.0 1.1 1.1 volume=0.491 peak=177 ppm1=6.969 ppm2=1.830 assign ( resid 2089 and name H ) ( resid 2089 and name HB2 or resid 2089 and name HB3 ) 2.7 0.9 0.9 volume=0.921 peak=141 ppm1=8.651 ppm2=2.805 assign ( resid 2075 and name H ) ( resid 2074 and name HB ) 3.0 1.1 1.1 volume=0.531 peak=82 ppm1=7.683 ppm2=2.209 assign ( resid 2075 and name H ) ( resid 2075 and name HA ) 2.6 0.9 0.9 volume=1.118 peak=88 ppm1=7.684 ppm2=4.316 assign ( resid 2110 and name H ) ( resid 2112 and name H ) 3.2 1.3 1.3 volume=0.330 peak=232 ppm1=8.017 ppm2=7.666 assign ( resid 2110 and name H ) ( resid 2109 and name H or resid 2111 and name H ) 2.3 0.7 0.7 volume=2.323 peak=233 ppm1=8.021 ppm2=8.243 assign ( resid 2075 and name H ) ( resid 2075 and name HD2# or resid 2075 and name HD1# ) 2.5 0.8 0.8 volume=1.742 peak=87 ppm1=7.684 ppm2=0.797 assign ( resid 2073 and name H ) ( resid 2075 and name H ) 3.3 1.4 1.4 volume=0.293 peak=76 ppm1=8.193 ppm2=7.667 assign ( resid 2102 and name H ) ( resid 2102 and name HD2# ) 3.1 1.2 1.2 volume=0.463 peak=167 ppm1=8.595 ppm2=0.486 assign ( resid 2073 and name H ) ( resid 2072 and name HB# ) 2.5 0.8 0.8 volume=1.637 peak=78 ppm1=8.191 ppm2=1.408 assign ( resid 2105 and name H ) ( resid 2104 and name HB3 ) 2.8 1.0 1.0 volume=0.766 peak=192 ppm1=8.542 ppm2=2.894 assign ( resid 2081 and name H ) ( resid 2080 and name HD2 ) 3.5 1.5 1.5 volume=0.215 peak=102 ppm1=9.072 ppm2=3.723 assign ( resid 2076 and name H ) ( resid 2075 and name HB3 ) 3.1 1.2 1.2 volume=0.419 peak=94 ppm1=7.776 ppm2=1.380 assign ( resid 2111 and name H ) ( resid 2111 and name HA2 ) 2.4 0.7 0.7 volume=1.828 peak=246 ppm1=8.238 ppm2=3.801 assign ( resid 2113 and name H ) ( resid 2112 and name H ) 3.3 1.4 1.4 volume=0.282 peak=262 ppm1=8.577 ppm2=7.669 assign ( resid 2057 and name H ) ( resid 2056 and name HB2 or resid 2057 and name HB2 ) 2.5 0.8 0.8 volume=1.737 peak=35 ppm1=8.528 ppm2=2.015 assign ( resid 2061 and name H ) ( resid 2057 and name HB3 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2061 and name HB2 or resid 2061 and name HB3 ) 2.2 0.6 0.6 volume=3.357 peak=50 ppm1=8.117 ppm2=2.160 assign ( resid 2104 and name HD22 ) ( resid 2104 and name HA ) 3.3 1.4 1.4 volume=0.297 peak=188 ppm1=7.852 ppm2=4.401 assign ( resid 2110 and name H ) ( resid 2109 and name HB2 ) 3.2 1.3 1.3 volume=0.352 peak=236 ppm1=8.027 ppm2=2.848 assign ( resid 2088 and name H ) ( resid 2091 and name H ) 3.4 1.4 1.4 volume=0.258 peak=136 ppm1=8.786 ppm2=7.192 assign ( resid 2073 and name H ) ( resid 2074 and name H ) 2.7 0.9 0.9 volume=1.022 peak=75 ppm1=8.191 ppm2=7.910 assign ( resid 2075 and name H ) ( resid 2074 and name H ) 2.6 0.9 0.9 volume=1.189 peak=91 ppm1=7.684 ppm2=7.905 assign ( resid 2082 and name H ) ( resid 2081 and name HB3 or resid 2081 and name HB2 ) 2.7 0.9 0.9 volume=0.892 peak=107 ppm1=8.109 ppm2=2.050 assign ( resid 2088 and name H ) ( resid 2087 and name H ) 3.2 1.2 1.2 volume=0.383 peak=135 ppm1=8.785 ppm2=7.568 assign ( resid 2106 and name H ) ( resid 2107 and name H ) 2.8 1.0 1.0 volume=0.742 peak=199 ppm1=8.300 ppm2=9.173 # Restraints file 2: run61_41_2.tbl assign ( resid 2099 and name H ) ( resid 2058 and name HA or resid 2070 and name HA or resid 2089 and name HA or resid 2096 and name HA or resid 2098 and name HB or resid 2100 and name HA or resid 2101 and name HA or resid 2106 and name HA or resid 2107 and name HA or resid 2110 and name HB or resid 2127 and name HA ) 2.8 1.0 1.0 volume=0.786 peak=204 ppm1=9.000 ppm2=4.177 assign ( resid 2134 and name H ) ( resid 2057 and name H or resid 2068 and name H or resid 2070 and name H or resid 2105 and name H or resid 2113 and name H or resid 2133 and name H ) 2.5 0.8 0.8 volume=1.376 peak=306 ppm1=8.275 ppm2=8.555 assign ( resid 2064 and name H ) ( resid 2060 and name HA or resid 2067 and name HA or resid 2129 and name HB or resid 2132 and name HA ) 3.2 1.3 1.3 volume=0.311 peak=74 ppm1=8.902 ppm2=3.539 assign ( resid 2136 and name H ) ( resid 2062 and name HG2# or resid 2079 and name HG2# or resid 2114 and name HD1# or resid 2117 and name HG2# or resid 2132 and name HB3 or resid 2134 and name HG2# or resid 2135 and name HG3 or resid 2135 and name HG2 ) 3.0 1.1 1.1 volume=0.508 peak=310 ppm1=8.144 ppm2=1.192 assign ( resid 2060 and name H ) ( resid 2060 and name HA or resid 2067 and name HA or resid 2129 and name HB or resid 2132 and name HA ) 2.7 0.9 0.9 volume=0.848 peak=43 ppm1=7.989 ppm2=3.535 assign ( resid 2066 and name H ) ( resid 2049 and name H or resid 2052 and name H or resid 2065 and name H or resid 2084 and name H or resid 2097 and name H or resid 2106 and name H or resid 2139 and name H ) 2.7 0.9 0.9 volume=1.007 peak=87 ppm1=7.770 ppm2=8.309 assign ( resid 2103 and name H ) ( resid 2102 and name HD2# ) 3.4 1.5 1.5 volume=0.221 peak=146 ppm1=7.789 ppm2=0.488 assign ( resid 2096 and name H ) ( resid 2078 and name HB3 or resid 2095 and name HB2 or resid 2108 and name HB2 or resid 2133 and name HB3 ) 3.3 1.3 1.3 volume=0.295 peak=182 ppm1=8.684 ppm2=3.280 assign ( resid 2127 and name H ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H or resid 2129 and name H ) 2.6 0.8 0.8 volume=1.137 peak=273 ppm1=8.434 ppm2=8.902 assign ( resid 2060 and name H ) ( resid 2057 and name HB3 or resid 2058 and name HB2 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2080 and name HG3 or resid 2080 and name HB3 or resid 2092 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB2 or resid 2103 and name HB3 or resid 2116 and name HG2 or resid 2116 and name HB2 or resid 2116 and name HG3 or resid 2130 and name HB2 or resid 2132 and name HG or resid 2138 and name HB3 ) 2.3 0.7 0.7 volume=2.142 peak=45 ppm1=7.989 ppm2=2.119 assign ( resid 2103 and name H ) ( resid 2119 and name HD1# ) 3.6 1.6 1.6 volume=0.166 peak=147 ppm1=7.789 ppm2=0.219 assign ( resid 2092 and name H ) ( resid 2059 and name HG2 or resid 2089 and name HB3 or resid 2091 and name HB3 or resid 2091 and name HB2 or resid 2109 and name HB2 or resid 2131 and name HB2 ) 2.7 0.9 0.9 volume=0.878 peak=152 ppm1=7.821 ppm2=2.842 assign ( resid 2067 and name H ) ( resid 2060 and name HA or resid 2067 and name HA or resid 2129 and name HB or resid 2132 and name HA ) 2.7 0.9 0.9 volume=0.878 peak=96 ppm1=8.815 ppm2=3.529 assign ( resid 2129 and name H ) ( resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2130 and name H or resid 2131 and name H or resid 2135 and name H ) 2.6 0.8 0.8 volume=1.164 peak=280 ppm1=8.931 ppm2=7.893 assign ( resid 2090 and name H ) ( resid 2049 and name HA or resid 2065 and name HB or resid 2071 and name HA or resid 2073 and name HB or resid 2075 and name HA or resid 2090 and name HA or resid 2105 and name HB or resid 2107 and name HB or resid 2112 and name HA ) 2.5 0.8 0.8 volume=1.556 peak=129 ppm1=9.234 ppm2=4.317 assign ( resid 2062 and name H ) ( resid 2058 and name H or resid 2063 and name H or resid 2074 and name H or resid 2114 and name H or resid 2131 and name H or resid 2135 and name H ) 2.6 0.9 0.9 volume=1.117 peak=59 ppm1=8.394 ppm2=7.943 assign ( resid 2090 and name H ) ( resid 2050 and name HB3 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2060 and name HG2 or resid 2066 and name HB2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2106 and name HB3 or resid 2123 and name HG3 ) 2.4 0.7 0.7 volume=1.978 peak=123 ppm1=9.234 ppm2=1.967 assign ( resid 2059 and name H ) ( resid 2058 and name H or resid 2060 and name H or resid 2063 and name H ) 2.5 0.8 0.8 volume=1.471 peak=29 ppm1=9.121 ppm2=7.963 assign ( resid 2099 and name H ) ( resid 2053 and name HA2 or resid 2055 and name HB2 or resid 2057 and name HA or resid 2068 and name HA or resid 2069 and name HA or resid 2085 and name HD3 or resid 2098 and name HA or resid 2118 and name HA or resid 2121 and name HA or resid 2128 and name HA ) 2.9 1.0 1.0 volume=0.644 peak=206 ppm1=9.001 ppm2=4.075 assign ( resid 2058 and name H ) ( resid 2057 and name HB3 or resid 2058 and name HB2 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2080 and name HB3 or resid 2092 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB3 or resid 2116 and name HB2 or resid 2132 and name HG or resid 2138 and name HB2 or resid 2138 and name HB3 ) 2.4 0.7 0.7 volume=1.761 peak=20 ppm1=7.939 ppm2=2.104 assign ( resid 2097 and name H ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H or resid 2129 and name H ) 2.3 0.7 0.7 volume=2.106 peak=184 ppm1=8.284 ppm2=8.919 assign ( resid 2117 and name H ) ( resid 2109 and name HD21 or resid 2118 and name H ) 2.6 0.8 0.8 volume=1.262 peak=241 ppm1=6.818 ppm2=7.369 assign ( resid 2122 and name H ) ( resid 2060 and name HE21 or resid 2117 and name H or resid 2122 and name HD2 ) 3.0 1.1 1.1 volume=0.501 peak=266 ppm1=7.321 ppm2=6.802 assign ( resid 2102 and name H ) ( resid 2061 and name HE21 or resid 2087 and name H or resid 2101 and name H ) 2.7 0.9 0.9 volume=1.011 peak=224 ppm1=8.594 ppm2=7.555 assign ( resid 2121 and name H ) ( resid 2060 and name HE21 or resid 2117 and name H or resid 2122 and name HD2 ) 3.4 1.5 1.5 volume=0.212 peak=265 ppm1=8.010 ppm2=6.806 assign ( resid 2101 and name H ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2097 and name HD2# or resid 2100 and name HD2# or resid 2100 and name HD1# or resid 2124 and name HG2# or resid 2128 and name HD2# or resid 2128 and name HD1# or resid 2137 and name HG2# ) 2.7 0.9 0.9 volume=0.915 peak=216 ppm1=7.550 ppm2=1.024 assign ( resid 2100 and name H ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2134 and name HA ) 3.1 1.2 1.2 volume=0.437 peak=139 ppm1=7.225 ppm2=3.705 assign ( resid 2064 and name H ) ( resid 2067 and name HG2# or resid 2067 and name HG1# or resid 2106 and name HB2 or resid 2112 and name HB2 or resid 2118 and name HD2# or resid 2119 and name HG12 or resid 2129 and name HG2# ) 2.6 0.8 0.8 volume=1.217 peak=77 ppm1=8.902 ppm2=1.098 assign ( resid 2127 and name H ) ( resid 2109 and name HD22 or resid 2124 and name H ) 3.2 1.2 1.2 volume=0.358 peak=274 ppm1=8.436 ppm2=7.450 assign ( resid 2093 and name H ) ( resid 2091 and name H or resid 2120 and name HD# ) 3.2 1.2 1.2 volume=0.358 peak=157 ppm1=7.494 ppm2=7.194 assign ( resid 2132 and name H ) ( resid 2131 and name HD2 ) 3.5 1.6 1.6 volume=0.183 peak=297 ppm1=8.601 ppm2=6.053 assign ( resid 2060 and name H ) ( resid 2053 and name HA2 or resid 2057 and name HA or resid 2061 and name HA or resid 2063 and name HA or resid 2069 and name HA or resid 2085 and name HD3 or resid 2098 and name HA or resid 2111 and name HA3 or resid 2116 and name HA or resid 2118 and name HA or resid 2125 and name HA or resid 2128 and name HA ) 2.9 1.1 1.1 volume=0.561 peak=41 ppm1=7.989 ppm2=4.095 assign ( resid 2133 and name H ) ( resid 2120 and name HB2 or resid 2133 and name HB2 ) 2.5 0.8 0.8 volume=1.468 peak=302 ppm1=8.546 ppm2=2.983 assign ( resid 2122 and name H ) ( resid 2067 and name HG1# or resid 2106 and name HB2 or resid 2112 and name HB2 or resid 2118 and name HD2# or resid 2128 and name HD2# or resid 2129 and name HG2# ) 2.9 1.1 1.1 volume=0.540 peak=271 ppm1=7.324 ppm2=1.068 assign ( resid 2118 and name H ) ( resid 2053 and name HA2 or resid 2055 and name HB2 or resid 2057 and name HA or resid 2068 and name HA or resid 2069 and name HA or resid 2085 and name HD3 or resid 2098 and name HA or resid 2118 and name HA or resid 2121 and name HA or resid 2128 and name HA ) 2.5 0.8 0.8 volume=1.427 peak=247 ppm1=7.366 ppm2=4.074 assign ( resid 2133 and name H ) ( resid 2058 and name H or resid 2063 and name H or resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2130 and name H or resid 2131 and name H or resid 2135 and name H ) 3.0 1.1 1.1 volume=0.489 peak=305 ppm1=8.546 ppm2=7.912 assign ( resid 2098 and name H ) ( resid 2049 and name H or resid 2065 and name H or resid 2097 and name H or resid 2106 and name H or resid 2134 and name H or resid 2139 and name H ) 2.3 0.7 0.7 volume=2.126 peak=191 ppm1=8.908 ppm2=8.285 assign ( resid 2129 and name H ) ( resid 2067 and name HG2# or resid 2067 and name HG1# or resid 2106 and name HB2 or resid 2112 and name HB2 or resid 2118 and name HD2# or resid 2119 and name HG12 or resid 2128 and name HD2# or resid 2129 and name HG2# ) 2.4 0.7 0.7 volume=1.684 peak=286 ppm1=8.932 ppm2=1.086 assign ( resid 2140 and name H ) ( resid 2047 and name HA or resid 2050 and name HA or resid 2052 and name HA or resid 2055 and name HB3 or resid 2082 and name HA or resid 2086 and name HA or resid 2088 and name HA or resid 2093 and name HA2 or resid 2097 and name HA or resid 2124 and name HA or resid 2124 and name HB or resid 2139 and name HA or resid 2140 and name HA ) 2.1 0.5 0.5 volume=4.175 peak=325 ppm1=8.056 ppm2=4.456 assign ( resid 2083 and name H or resid 2094 and name H ) ( resid 2070 and name HB# or resid 2083 and name HG12 or resid 2090 and name HG3 or resid 2094 and name HG12 or resid 2094 and name HG13 or resid 2102 and name HB3 ) 2.4 0.7 0.7 volume=1.920 peak=168 ppm1=7.593 ppm2=1.459 assign ( resid 2099 and name H ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2123 and name HD2 or resid 2134 and name HA ) 2.7 0.9 0.9 volume=0.980 peak=205 ppm1=9.000 ppm2=3.701 assign ( resid 2060 and name H ) ( resid 2059 and name HB3 or resid 2125 and name HD2 ) 2.8 1.0 1.0 volume=0.678 peak=44 ppm1=7.990 ppm2=2.585 assign ( resid 2101 and name H ) ( resid 2049 and name HG2 or resid 2085 and name HB3 or resid 2101 and name HG2 or resid 2122 and name HB2 or resid 2123 and name HB3 or resid 2138 and name HG3 or resid 2138 and name HG2 ) 2.6 0.8 0.8 volume=1.163 peak=212 ppm1=7.549 ppm2=2.395 assign ( resid 2104 and name HD21 ) ( resid 2048 and name HE1 or resid 2052 and name HD22 or resid 2092 and name H or resid 2104 and name HD22 or resid 2108 and name HE1 ) 2.0 0.5 0.5 volume=5.913 peak=232 ppm1=6.968 ppm2=7.852 assign ( resid 2065 and name H ) ( resid 2066 and name H or resid 2076 and name H or resid 2103 and name H or resid 2131 and name HE1 or resid 2133 and name HE1 or resid 2138 and name H ) 2.6 0.8 0.8 volume=1.155 peak=83 ppm1=8.308 ppm2=7.770 assign ( resid 2109 and name H ) ( resid 2071 and name HG2# or resid 2073 and name HG2# or resid 2099 and name HB# or resid 2102 and name HG or resid 2105 and name HG2# or resid 2107 and name HG2# or resid 2110 and name HG2# ) 2.9 1.1 1.1 volume=0.596 peak=237 ppm1=8.245 ppm2=1.285 assign ( resid 2094 and name H ) ( resid 2089 and name HD# or resid 2091 and name H or resid 2120 and name HD# ) 3.5 1.6 1.6 volume=0.180 peak=171 ppm1=7.590 ppm2=7.180 assign ( resid 2051 and name H ) ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HG or resid 2066 and name HG or resid 2092 and name HB3 or resid 2114 and name HG or resid 2119 and name HB or resid 2128 and name HG or resid 2135 and name HB3 ) 2.7 0.9 0.9 volume=0.963 peak=3 ppm1=8.745 ppm2=1.626 assign ( resid 2095 and name H ) ( resid 2050 and name HG2 or resid 2051 and name HB3 or resid 2090 and name HD3 or resid 2090 and name HD2 or resid 2092 and name HG or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2118 and name HB2 or resid 2127 and name HB# ) 3.1 1.2 1.2 volume=0.368 peak=176 ppm1=8.053 ppm2=1.733 assign ( resid 2106 and name H ) ( resid 2054 and name HD2# or resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.4 0.7 0.7 volume=1.719 peak=235 ppm1=8.301 ppm2=0.805 assign ( resid 2051 and name H ) ( resid 2050 and name HB3 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2060 and name HG2 or resid 2066 and name HB2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2106 and name HB3 or resid 2123 and name HG3 ) 3.1 1.2 1.2 volume=0.396 peak=5 ppm1=8.745 ppm2=1.966 assign ( resid 2098 and name H ) ( resid 2083 and name HD1# or resid 2094 and name HG2# or resid 2094 and name HD1# or resid 2112 and name HD1# or resid 2119 and name HG13 ) 3.1 1.2 1.2 volume=0.395 peak=199 ppm1=8.909 ppm2=0.740 assign ( resid 2103 and name H ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2134 and name HA ) 2.7 0.9 0.9 volume=0.986 peak=151 ppm1=7.793 ppm2=3.709 assign ( resid 2066 and name H ) ( resid 2066 and name HB3 or resid 2075 and name HG or resid 2090 and name HB3 or resid 2090 and name HD3 or resid 2090 and name HD2 or resid 2100 and name HG or resid 2106 and name HG or resid 2136 and name HG or resid 2136 and name HB3 ) 2.5 0.8 0.8 volume=1.432 peak=91 ppm1=7.770 ppm2=1.790 assign ( resid 2091 and name H ) ( resid 2048 and name HE1 or resid 2052 and name HD22 or resid 2092 and name H or resid 2103 and name H or resid 2104 and name HD22 or resid 2108 and name HE1 ) 2.4 0.7 0.7 volume=2.004 peak=133 ppm1=7.190 ppm2=7.822 assign ( resid 2118 and name H ) ( resid 2060 and name HE21 or resid 2117 and name H or resid 2122 and name HD2 ) 2.6 0.8 0.8 volume=1.129 peak=248 ppm1=7.367 ppm2=6.819 assign ( resid 2109 and name HD21 ) ( resid 2063 and name HB2 or resid 2065 and name HG2# or resid 2086 and name HB# or resid 2102 and name HG or resid 2105 and name HG2# or resid 2107 and name HG2# or resid 2125 and name HG3 ) 2.6 0.9 0.9 volume=1.023 peak=239 ppm1=7.360 ppm2=1.314 assign ( resid 2064 and name H ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2056 and name HB2 or resid 2057 and name HB2 or resid 2063 and name HB3 or resid 2066 and name HB2 or resid 2080 and name HG2 or resid 2085 and name HG2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2106 and name HB3 or resid 2115 and name HB3 or resid 2123 and name HG3 or resid 2125 and name HB3 or resid 2128 and name HB2 ) 2.7 0.9 0.9 volume=0.854 peak=75 ppm1=8.902 ppm2=2.003 assign ( resid 2097 and name H ) ( resid 2097 and name HD1# or resid 2097 and name HD2# or resid 2136 and name HD2# or resid 2137 and name HG2# ) 2.8 0.9 0.9 volume=0.814 peak=185 ppm1=8.283 ppm2=0.975 assign ( resid 2059 and name HE21 ) ( resid 2052 and name HD21 or resid 2059 and name HE22 or resid 2130 and name HE22 ) 2.2 0.6 0.6 volume=3.024 peak=31 ppm1=7.410 ppm2=7.106 assign ( resid 2090 and name H ) ( resid 2061 and name HE21 or resid 2083 and name H or resid 2086 and name H or resid 2087 and name H or resid 2094 and name H or resid 2101 and name H or resid 2137 and name H or resid 2138 and name HE21 ) 3.5 1.5 1.5 volume=0.189 peak=131 ppm1=9.236 ppm2=7.582 assign ( resid 2061 and name HE21 ) ( resid 2049 and name HG3 or resid 2056 and name HB3 or resid 2057 and name HG3 or resid 2057 and name HG2 or resid 2058 and name HG2 or resid 2058 and name HG3 or resid 2058 and name HB3 or resid 2061 and name HG3 or resid 2061 and name HG2 or resid 2115 and name HB2 ) 2.6 0.8 0.8 volume=1.229 peak=55 ppm1=7.547 ppm2=2.479 assign ( resid 2102 and name H ) ( resid 2100 and name H ) 3.4 1.4 1.4 volume=0.241 peak=225 ppm1=8.600 ppm2=7.228 assign ( resid 2076 and name H ) ( resid 2051 and name HB3 or resid 2075 and name HG or resid 2090 and name HB3 or resid 2090 and name HD3 or resid 2090 and name HD2 or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2118 and name HB2 or resid 2136 and name HG or resid 2136 and name HB3 ) 3.4 1.4 1.4 volume=0.227 peak=329 ppm1=7.775 ppm2=1.754 assign ( resid 2119 and name H ) ( resid 2109 and name HD21 or resid 2118 and name H ) 3.1 1.2 1.2 volume=0.411 peak=257 ppm1=8.122 ppm2=7.361 assign ( resid 2064 and name H ) ( resid 2058 and name HA or resid 2064 and name HA or resid 2070 and name HA or resid 2085 and name HA or resid 2089 and name HA or resid 2096 and name HA or resid 2098 and name HB or resid 2106 and name HA or resid 2107 and name HA ) 2.5 0.8 0.8 volume=1.504 peak=73 ppm1=8.902 ppm2=4.194 assign ( resid 2101 and name H ) ( resid 2068 and name H or resid 2070 and name H or resid 2102 and name H or resid 2113 and name H or resid 2132 and name H ) 2.6 0.8 0.8 volume=1.134 peak=221 ppm1=7.551 ppm2=8.599 assign ( resid 2066 and name H ) ( resid 2067 and name H ) 2.7 0.9 0.9 volume=0.918 peak=85 ppm1=7.771 ppm2=8.826 assign ( resid 2129 and name H ) ( resid 2061 and name HA or resid 2063 and name HA or resid 2076 and name HA3 or resid 2081 and name HA or resid 2100 and name HA or resid 2101 and name HA or resid 2105 and name HA or resid 2110 and name HB or resid 2111 and name HA3 or resid 2116 and name HA or resid 2125 and name HA or resid 2127 and name HA ) 2.8 1.0 1.0 volume=0.696 peak=282 ppm1=8.931 ppm2=4.125 assign ( resid 2093 and name H ) ( resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.8 1.0 1.0 volume=0.674 peak=164 ppm1=7.496 ppm2=0.784 assign ( resid 2131 and name H ) ( resid 2068 and name H or resid 2070 and name H or resid 2102 and name H or resid 2113 and name H or resid 2132 and name H ) 2.5 0.8 0.8 volume=1.325 peak=288 ppm1=7.922 ppm2=8.598 assign ( resid 2104 and name HD22 ) ( resid 2048 and name HD2 or resid 2057 and name HE22 or resid 2058 and name HE21 or resid 2061 and name HE22 or resid 2078 and name HD2 or resid 2104 and name HD21 ) 2.0 0.5 0.5 volume=5.259 peak=233 ppm1=7.851 ppm2=6.971 assign ( resid 2090 and name H ) ( resid 2119 and name HG2# ) 3.6 1.7 1.7 volume=0.151 peak=127 ppm1=9.235 ppm2=0.278 assign ( resid 2128 and name H ) ( resid 2050 and name HG2 or resid 2051 and name HB3 or resid 2083 and name HG13 or resid 2092 and name HG or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2118 and name HB2 or resid 2127 and name HB# or resid 2135 and name HB2 ) 2.4 0.7 0.7 volume=1.704 peak=230 ppm1=8.885 ppm2=1.708 assign ( resid 2135 and name H ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2123 and name HD2 or resid 2134 and name HA ) 2.8 1.0 1.0 volume=0.764 peak=113 ppm1=7.911 ppm2=3.695 assign ( resid 2091 and name H or resid 2100 and name H ) ( resid 2075 and name HD1# or resid 2083 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2094 and name HD1# or resid 2106 and name HD2# or resid 2112 and name HD1# or resid 2119 and name HG13 ) 3.1 1.2 1.2 volume=0.386 peak=143 ppm1=7.206 ppm2=0.761 assign ( resid 2136 and name H ) ( resid 2062 and name HB or resid 2064 and name HA or resid 2066 and name HA or resid 2080 and name HA or resid 2085 and name HA or resid 2098 and name HB or resid 2117 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 2.6 0.9 0.9 volume=1.076 peak=311 ppm1=8.142 ppm2=4.240 assign ( resid 2066 and name H ) ( resid 2053 and name HA2 or resid 2055 and name HB2 or resid 2056 and name HD2 or resid 2065 and name HA or resid 2068 and name HA or resid 2083 and name HA or resid 2085 and name HD3 or resid 2087 and name HA or resid 2094 and name HA or resid 2096 and name HB3 or resid 2118 and name HA or resid 2121 and name HA ) 2.9 1.0 1.0 volume=0.646 peak=89 ppm1=7.770 ppm2=4.040 assign ( resid 2097 and name H ) ( resid 2058 and name HA or resid 2064 and name HA or resid 2070 and name HA or resid 2089 and name HA or resid 2096 and name HA or resid 2098 and name HB or resid 2106 and name HA or resid 2107 and name HA or resid 2110 and name HB ) 2.8 1.0 1.0 volume=0.750 peak=189 ppm1=8.283 ppm2=4.188 assign ( resid 2109 and name HD22 ) ( resid 2063 and name HB2 or resid 2065 and name HG2# or resid 2086 and name HB# or resid 2102 and name HG or resid 2105 and name HG2# or resid 2107 and name HG2# or resid 2125 and name HG3 ) 2.6 0.8 0.8 volume=1.156 peak=238 ppm1=7.446 ppm2=1.313 assign ( resid 2120 and name H ) ( resid 2119 and name HG2# ) 3.1 1.2 1.2 volume=0.394 peak=211 ppm1=7.518 ppm2=0.267 assign ( resid 2062 and name H ) ( resid 2056 and name HG3 or resid 2060 and name HG3 or resid 2061 and name HB2 or resid 2061 and name HB3 or resid 2080 and name HG3 or resid 2080 and name HB2 or resid 2083 and name HB or resid 2103 and name HB2 or resid 2116 and name HG2 or resid 2116 and name HG3 or resid 2130 and name HG2 or resid 2130 and name HB2 or resid 2138 and name HB3 ) 2.5 0.8 0.8 volume=1.338 peak=62 ppm1=8.395 ppm2=2.164 assign ( resid 2098 and name H ) ( resid 2053 and name HA2 or resid 2055 and name HB2 or resid 2057 and name HA or resid 2061 and name HA or resid 2069 and name HA or resid 2085 and name HD3 or resid 2098 and name HA or resid 2116 and name HA or resid 2118 and name HA or resid 2121 and name HA or resid 2128 and name HA ) 2.6 0.8 0.8 volume=1.153 peak=194 ppm1=8.909 ppm2=4.082 assign ( resid 2126 and name H ) ( resid 2063 and name HB2 or resid 2065 and name HG2# or resid 2086 and name HB# or resid 2087 and name HG2# or resid 2102 and name HG or resid 2105 and name HG2# or resid 2107 and name HG2# or resid 2125 and name HG3 ) 3.1 1.2 1.2 volume=0.418 peak=13 ppm1=9.071 ppm2=1.339 assign ( resid 2114 and name H ) ( resid 2063 and name HB2 or resid 2065 and name HG2# or resid 2075 and name HB3 or resid 2086 and name HB# or resid 2087 and name HG2# or resid 2102 and name HG or resid 2105 and name HG2# or resid 2107 and name HG2# or resid 2125 and name HG3 ) 2.6 0.9 0.9 volume=1.031 peak=240 ppm1=7.915 ppm2=1.347 assign ( resid 2092 and name H ) ( resid 2090 and name H ) 3.5 1.5 1.5 volume=0.196 peak=156 ppm1=7.819 ppm2=9.232 assign ( resid 2063 and name H ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD1# or resid 2063 and name HD2# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 2.5 0.8 0.8 volume=1.391 peak=65 ppm1=7.938 ppm2=0.850 assign ( resid 2074 and name H or resid 2130 and name H ) ( resid 2056 and name HG3 or resid 2061 and name HB2 or resid 2061 and name HB3 or resid 2074 and name HB or resid 2080 and name HB2 or resid 2083 and name HB or resid 2103 and name HB2 or resid 2130 and name HG2 ) 2.2 0.6 0.6 volume=3.389 peak=110 ppm1=7.894 ppm2=2.182 assign ( resid 2097 and name H ) ( resid 2095 and name HB3 or resid 2109 and name HB3 or resid 2113 and name HB2 ) 3.5 1.5 1.5 volume=0.200 peak=186 ppm1=8.288 ppm2=2.697 assign ( resid 2126 and name H ) ( resid 2104 and name HB3 or resid 2126 and name HB3 or resid 2126 and name HB2 or resid 2135 and name HD2 ) 2.3 0.7 0.7 volume=2.439 peak=14 ppm1=9.071 ppm2=2.915 assign ( resid 2102 and name H ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2123 and name HD2 or resid 2134 and name HA ) 2.9 1.1 1.1 volume=0.577 peak=229 ppm1=8.595 ppm2=3.702 assign ( resid 2090 and name H ) ( resid 2048 and name HE1 or resid 2052 and name HD22 or resid 2092 and name H or resid 2103 and name H or resid 2104 and name HD22 or resid 2108 and name HE1 ) 3.4 1.4 1.4 volume=0.234 peak=130 ppm1=9.234 ppm2=7.821 assign ( resid 2090 and name H ) ( resid 2069 and name H or resid 2089 and name H or resid 2096 and name H ) 2.9 1.0 1.0 volume=0.640 peak=132 ppm1=9.234 ppm2=8.657 assign ( resid 2118 and name H ) ( resid 2119 and name HD1# ) 3.6 1.6 1.6 volume=0.166 peak=245 ppm1=7.364 ppm2=0.244 assign ( resid 2127 and name H ) ( resid 2055 and name H or resid 2081 and name H or resid 2126 and name H ) 2.7 0.9 0.9 volume=0.832 peak=272 ppm1=8.435 ppm2=9.075 assign ( resid 2132 and name H ) ( resid 2049 and name HG3 or resid 2056 and name HB3 or resid 2061 and name HG3 or resid 2113 and name HB3 or resid 2131 and name HB3 ) 2.8 1.0 1.0 volume=0.688 peak=292 ppm1=8.604 ppm2=2.515 assign ( resid 2103 and name H ) ( resid 2068 and name H or resid 2070 and name H or resid 2102 and name H or resid 2113 and name H or resid 2132 and name H ) 2.7 0.9 0.9 volume=0.876 peak=155 ppm1=7.790 ppm2=8.595 assign ( resid 2121 and name H ) ( resid 2119 and name HG2# ) 3.7 1.7 1.7 volume=0.143 peak=260 ppm1=8.008 ppm2=0.266 assign ( resid 2082 and name H ) ( resid 2075 and name HD1# or resid 2083 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2094 and name HD1# or resid 2106 and name HD2# or resid 2132 and name HD1# ) 3.3 1.4 1.4 volume=0.274 peak=115 ppm1=8.110 ppm2=0.767 assign ( resid 2106 and name H ) ( resid 2067 and name HG1# or resid 2100 and name HD2# or resid 2106 and name HB2 or resid 2112 and name HB2 or resid 2118 and name HD2# or resid 2128 and name HD2# or resid 2129 and name HG2# ) 2.7 0.9 0.9 volume=1.000 peak=234 ppm1=8.299 ppm2=1.065 assign ( resid 2054 and name H ) ( resid 2047 and name HA or resid 2050 and name HA or resid 2051 and name HA or resid 2052 and name HA or resid 2086 and name HA or resid 2088 and name HA or resid 2093 and name HA2 or resid 2140 and name HA ) 3.0 1.2 1.2 volume=0.452 peak=10 ppm1=7.410 ppm2=4.491 assign ( resid 2066 and name H ) ( resid 2063 and name HB2 or resid 2065 and name HG2# or resid 2086 and name HB# or resid 2102 and name HG or resid 2105 and name HG2# or resid 2107 and name HG2# or resid 2125 and name HG3 ) 2.8 1.0 1.0 volume=0.684 peak=92 ppm1=7.771 ppm2=1.326 assign ( resid 2127 and name H ) ( resid 2048 and name HD2 or resid 2089 and name HZ or resid 2126 and name HD2 or resid 2138 and name HE22 ) 3.7 1.7 1.7 volume=0.146 peak=275 ppm1=8.436 ppm2=6.929 assign ( resid 2095 and name H ) ( resid 2078 and name HB3 or resid 2095 and name HB2 or resid 2133 and name HB3 ) 3.4 1.4 1.4 volume=0.242 peak=174 ppm1=8.056 ppm2=3.269 assign ( resid 2096 and name H ) ( resid 2095 and name HB3 or resid 2109 and name HB3 or resid 2113 and name HB2 ) 3.3 1.3 1.3 volume=0.285 peak=183 ppm1=8.686 ppm2=2.699 assign ( resid 2083 and name H or resid 2094 and name H ) ( resid 2049 and name HA or resid 2065 and name HB or resid 2071 and name HA or resid 2073 and name HB or resid 2075 and name HA or resid 2090 and name HA or resid 2105 and name HB or resid 2107 and name HB or resid 2112 and name HA ) 2.7 0.9 0.9 volume=0.849 peak=169 ppm1=7.593 ppm2=4.322 assign ( resid 2132 and name H ) ( resid 2060 and name HA or resid 2067 and name HA or resid 2129 and name HB or resid 2132 and name HA ) 2.6 0.9 0.9 volume=1.038 peak=290 ppm1=8.605 ppm2=3.557 assign ( resid 2086 and name H ) ( resid 2056 and name HD2 or resid 2062 and name HA or resid 2065 and name HA or resid 2074 and name HA or resid 2082 and name HB3 or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HA or resid 2087 and name HB or resid 2094 and name HA or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2102 and name HA or resid 2115 and name HD3 or resid 2130 and name HA or resid 2135 and name HA ) 2.5 0.8 0.8 volume=1.369 peak=122 ppm1=7.613 ppm2=4.001 assign ( resid 2084 and name H ) ( resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.6 0.8 0.8 volume=1.164 peak=121 ppm1=8.336 ppm2=0.784 assign ( resid 2134 and name H ) ( resid 2058 and name H or resid 2063 and name H or resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2130 and name H or resid 2131 and name H or resid 2135 and name H ) 2.6 0.8 0.8 volume=1.189 peak=307 ppm1=8.274 ppm2=7.911 assign ( resid 2086 and name H ) ( resid 2126 and name HB3 or resid 2126 and name HB2 or resid 2135 and name HD2 ) 3.7 1.7 1.7 volume=0.132 peak=328 ppm1=7.611 ppm2=2.931 assign ( resid 2100 and name H ) ( resid 2049 and name H or resid 2052 and name H or resid 2065 and name H or resid 2084 and name H or resid 2097 and name H or resid 2106 and name H or resid 2139 and name H ) 3.4 1.4 1.4 volume=0.240 peak=136 ppm1=7.226 ppm2=8.312 assign ( resid 2064 and name H ) ( resid 2054 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2066 and name HG or resid 2069 and name HB# or resid 2075 and name HB2 or resid 2088 and name HB# or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2118 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 2.2 0.6 0.6 volume=3.013 peak=76 ppm1=8.902 ppm2=1.572 assign ( resid 2138 and name H ) ( resid 2056 and name HA or resid 2079 and name HB or resid 2082 and name HA or resid 2092 and name HA or resid 2097 and name HA or resid 2104 and name HA or resid 2108 and name HA or resid 2120 and name HA or resid 2129 and name HA or resid 2137 and name HA or resid 2138 and name HA ) 2.2 0.6 0.6 volume=2.729 peak=322 ppm1=7.747 ppm2=4.400 assign ( resid 2067 and name H ) ( resid 2068 and name H or resid 2070 and name H or resid 2102 and name H or resid 2105 and name H or resid 2113 and name H or resid 2132 and name H or resid 2133 and name H ) 2.6 0.8 0.8 volume=1.247 peak=98 ppm1=8.816 ppm2=8.572 assign ( resid 2065 and name H ) ( resid 2056 and name HD2 or resid 2062 and name HA or resid 2065 and name HA or resid 2068 and name HA or resid 2074 and name HA or resid 2082 and name HB3 or resid 2083 and name HA or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HA or resid 2087 and name HB or resid 2094 and name HA or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2102 and name HA or resid 2115 and name HD3 or resid 2130 and name HA ) 2.4 0.7 0.7 volume=1.716 peak=81 ppm1=8.306 ppm2=4.009 assign ( resid 2052 and name HD21 ) ( resid 2052 and name HB3 or resid 2052 and name HB2 or resid 2089 and name HB2 ) 3.0 1.1 1.1 volume=0.513 peak=8 ppm1=7.081 ppm2=2.778 assign ( resid 2063 and name H ) ( resid 2058 and name HA or resid 2061 and name HA or resid 2063 and name HA or resid 2076 and name HA3 or resid 2081 and name HA or resid 2100 and name HA or resid 2101 and name HA or resid 2105 and name HA or resid 2110 and name HB or resid 2111 and name HA3 or resid 2116 and name HA or resid 2125 and name HA or resid 2127 and name HA ) 2.7 0.9 0.9 volume=0.878 peak=67 ppm1=7.940 ppm2=4.135 assign ( resid 2133 and name H ) ( resid 2062 and name HG2# or resid 2079 and name HG2# or resid 2114 and name HD1# or resid 2117 and name HG2# or resid 2132 and name HB3 or resid 2134 and name HG2# or resid 2135 and name HG3 or resid 2135 and name HG2 ) 2.8 1.0 1.0 volume=0.723 peak=298 ppm1=8.545 ppm2=1.212 assign ( resid 2132 and name H ) ( resid 2054 and name HD2# or resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.4 0.7 0.7 volume=1.860 peak=294 ppm1=8.605 ppm2=0.809 assign ( resid 2066 and name H ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2056 and name HB2 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2060 and name HG2 or resid 2063 and name HB3 or resid 2066 and name HB2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2106 and name HB3 or resid 2123 and name HG3 or resid 2128 and name HB2 ) 2.5 0.8 0.8 volume=1.399 peak=90 ppm1=7.770 ppm2=1.984 assign ( resid 2096 and name H ) ( resid 2058 and name HA or resid 2070 and name HA or resid 2076 and name HA3 or resid 2081 and name HA or resid 2089 and name HA or resid 2096 and name HA or resid 2100 and name HA or resid 2101 and name HA or resid 2105 and name HA or resid 2106 and name HA or resid 2107 and name HA or resid 2110 and name HB or resid 2127 and name HA ) 3.4 1.5 1.5 volume=0.221 peak=180 ppm1=8.683 ppm2=4.167 assign ( resid 2090 and name H ) ( resid 2051 and name HB3 or resid 2066 and name HB3 or resid 2075 and name HG or resid 2090 and name HB3 or resid 2090 and name HD3 or resid 2090 and name HD2 or resid 2097 and name HG or resid 2097 and name HB3 or resid 2136 and name HG or resid 2136 and name HB3 ) 2.3 0.7 0.7 volume=2.331 peak=124 ppm1=9.234 ppm2=1.768 assign ( resid 2122 and name H ) ( resid 2059 and name HG3 or resid 2116 and name HB3 or resid 2121 and name HB2 or resid 2122 and name HB2 or resid 2123 and name HB2 ) 2.4 0.7 0.7 volume=1.795 peak=270 ppm1=7.321 ppm2=2.356 assign ( resid 2137 and name H ) ( resid 2062 and name HB or resid 2064 and name HA or resid 2066 and name HA or resid 2080 and name HA or resid 2085 and name HA or resid 2098 and name HB or resid 2117 and name HA or resid 2126 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 2.6 0.8 0.8 volume=1.190 peak=315 ppm1=7.590 ppm2=4.246 assign ( resid 2129 and name H ) ( resid 2060 and name HA or resid 2067 and name HA or resid 2129 and name HB or resid 2132 and name HA ) 2.8 1.0 1.0 volume=0.798 peak=283 ppm1=8.931 ppm2=3.544 assign ( resid 2135 and name H ) ( resid 2068 and name HB# or resid 2083 and name HG13 or resid 2128 and name HG or resid 2135 and name HB3 or resid 2135 and name HB2 ) 2.4 0.7 0.7 volume=2.031 peak=108 ppm1=7.911 ppm2=1.665 assign ( resid 2092 and name H or resid 2103 and name H ) ( resid 2072 and name HB# or resid 2075 and name HB3 or resid 2087 and name HG2# or resid 2098 and name HG2# or resid 2103 and name HG2 or resid 2112 and name HG or resid 2114 and name HB3 ) 2.6 0.9 0.9 volume=1.096 peak=145 ppm1=7.810 ppm2=1.388 assign ( resid 2100 and name H ) ( resid 2058 and name HA or resid 2063 and name HA or resid 2070 and name HA or resid 2076 and name HA3 or resid 2081 and name HA or resid 2089 and name HA or resid 2096 and name HA or resid 2100 and name HA or resid 2101 and name HA or resid 2105 and name HA or resid 2106 and name HA or resid 2110 and name HB or resid 2111 and name HA3 or resid 2125 and name HA or resid 2127 and name HA ) 2.4 0.7 0.7 volume=1.738 peak=138 ppm1=7.228 ppm2=4.150 assign ( resid 2098 and name H ) ( resid 2064 and name HA or resid 2066 and name HA or resid 2070 and name HA or resid 2085 and name HA or resid 2089 and name HA or resid 2096 and name HA or resid 2098 and name HB or resid 2106 and name HA or resid 2107 and name HA ) 2.7 0.9 0.9 volume=0.876 peak=195 ppm1=8.909 ppm2=4.202 assign ( resid 2094 and name H ) ( resid 2119 and name HG2# ) 4.0 2.0 2.0 volume=0.093 peak=165 ppm1=7.596 ppm2=0.284 assign ( resid 2057 and name HE22 or resid 2058 and name HE21 or resid 2061 and name HE22 ) ( resid 2057 and name HB3 or resid 2058 and name HB2 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2080 and name HG3 or resid 2080 and name HB3 or resid 2092 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB2 or resid 2103 and name HB3 or resid 2116 and name HG2 or resid 2116 and name HB2 or resid 2116 and name HG3 or resid 2130 and name HB2 or resid 2132 and name HG or resid 2138 and name HB3 ) 2.8 1.0 1.0 volume=0.758 peak=18 ppm1=6.972 ppm2=2.119 assign ( resid 2095 and name H ) ( resid 2070 and name HB# or resid 2072 and name HB# or resid 2094 and name HG12 or resid 2098 and name HG2# or resid 2103 and name HG2 or resid 2112 and name HG or resid 2114 and name HB3 ) 2.9 1.0 1.0 volume=0.641 peak=177 ppm1=8.054 ppm2=1.415 assign ( resid 2137 and name H ) ( resid 2062 and name HG2# or resid 2079 and name HG2# or resid 2114 and name HD1# or resid 2117 and name HG2# or resid 2132 and name HB3 or resid 2134 and name HG2# or resid 2135 and name HG3 or resid 2135 and name HG2 ) 3.3 1.4 1.4 volume=0.266 peak=318 ppm1=7.592 ppm2=1.194 assign ( resid 2064 and name H ) ( resid 2049 and name H or resid 2052 and name H or resid 2065 and name H or resid 2084 and name H or resid 2097 and name H or resid 2106 and name H or resid 2139 and name H ) 2.6 0.9 0.9 volume=1.121 peak=71 ppm1=8.902 ppm2=8.313 assign ( resid 2069 and name H ) ( resid 2053 and name HA2 or resid 2055 and name HB2 or resid 2057 and name HA or resid 2068 and name HA or resid 2069 and name HA or resid 2083 and name HA or resid 2085 and name HD3 or resid 2098 and name HA or resid 2118 and name HA or resid 2121 and name HA or resid 2128 and name HA ) 2.4 0.7 0.7 volume=2.037 peak=105 ppm1=8.644 ppm2=4.072 assign ( resid 2138 and name H ) ( resid 2074 and name HG2# or resid 2097 and name HD2# or resid 2100 and name HD1# or resid 2124 and name HG2# or resid 2128 and name HD1# or resid 2136 and name HD2# or resid 2137 and name HG2# ) 2.9 1.1 1.1 volume=0.564 peak=320 ppm1=7.747 ppm2=0.992 assign ( resid 2055 and name H ) ( resid 2053 and name HA2 or resid 2055 and name HB2 or resid 2057 and name HA or resid 2065 and name HA or resid 2068 and name HA or resid 2069 and name HA or resid 2083 and name HA or resid 2085 and name HD3 or resid 2094 and name HA or resid 2096 and name HB3 or resid 2118 and name HA or resid 2121 and name HA ) 2.6 0.8 0.8 volume=1.127 peak=12 ppm1=9.050 ppm2=4.048 assign ( resid 2098 and name H ) ( resid 2050 and name HG2 or resid 2051 and name HB3 or resid 2075 and name HG or resid 2090 and name HD3 or resid 2090 and name HD2 or resid 2092 and name HG or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2118 and name HB2 or resid 2127 and name HB# ) 2.5 0.8 0.8 volume=1.413 peak=197 ppm1=8.910 ppm2=1.736 assign ( resid 2100 and name H ) ( resid 2102 and name H or resid 2113 and name H or resid 2132 and name H ) 3.3 1.3 1.3 volume=0.298 peak=135 ppm1=7.223 ppm2=8.605 assign ( resid 2138 and name HE22 ) ( resid 2049 and name HG2 or resid 2057 and name HG3 or resid 2057 and name HG2 or resid 2058 and name HB3 or resid 2061 and name HG2 or resid 2085 and name HB3 or resid 2101 and name HG2 or resid 2115 and name HB2 or resid 2123 and name HB3 or resid 2138 and name HG3 or resid 2138 and name HG2 ) 2.8 1.0 1.0 volume=0.790 peak=324 ppm1=6.914 ppm2=2.431 assign ( resid 2091 and name H ) ( resid 2054 and name HB2 or resid 2064 and name HB# or resid 2069 and name HB# or resid 2088 and name HB# or resid 2090 and name HG2 or resid 2118 and name HG ) 2.2 0.6 0.6 volume=2.731 peak=141 ppm1=7.190 ppm2=1.540 assign ( resid 2133 and name H ) ( resid 2053 and name HA3 or resid 2059 and name HA or resid 2082 and name HB2 or resid 2085 and name HD2 or resid 2116 and name HD3 or resid 2119 and name HA or resid 2133 and name HA or resid 2139 and name HB2 or resid 2139 and name HB3 ) 2.7 0.9 0.9 volume=1.005 peak=303 ppm1=8.545 ppm2=3.866 assign ( resid 2065 and name H ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H or resid 2129 and name H ) 2.6 0.9 0.9 volume=1.075 peak=84 ppm1=8.308 ppm2=8.904 assign ( resid 2064 and name H ) ( resid 2058 and name H or resid 2063 and name H or resid 2074 and name H or resid 2114 and name H or resid 2131 and name H or resid 2135 and name H ) 2.6 0.9 0.9 volume=1.078 peak=72 ppm1=8.901 ppm2=7.939 assign ( resid 2063 and name H ) ( resid 2060 and name HA or resid 2067 and name HA or resid 2129 and name HB or resid 2132 and name HA ) 3.2 1.2 1.2 volume=0.360 peak=68 ppm1=7.942 ppm2=3.539 assign ( resid 2097 and name H ) ( resid 2078 and name HB3 or resid 2095 and name HB2 or resid 2108 and name HB2 or resid 2133 and name HB3 ) 3.4 1.5 1.5 volume=0.214 peak=187 ppm1=8.283 ppm2=3.279 assign ( resid 2133 and name H ) ( resid 2049 and name H or resid 2065 and name H or resid 2097 and name H or resid 2106 and name H or resid 2109 and name H or resid 2111 and name H or resid 2134 and name H or resid 2139 and name H ) 2.8 1.0 1.0 volume=0.779 peak=304 ppm1=8.546 ppm2=8.276 assign ( resid 2117 and name H ) ( resid 2062 and name HB or resid 2066 and name HA or resid 2080 and name HA or resid 2112 and name HA or resid 2117 and name HA or resid 2126 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 2.6 0.9 0.9 volume=1.075 peak=242 ppm1=6.819 ppm2=4.263 assign ( resid 2083 and name H ) ( resid 2061 and name HB3 or resid 2074 and name HB or resid 2083 and name HB or resid 2115 and name HG2 or resid 2130 and name HG2 ) 2.4 0.7 0.7 volume=1.948 peak=119 ppm1=7.607 ppm2=2.195 assign ( resid 2129 and name H ) ( resid 2055 and name HB3 or resid 2056 and name HA or resid 2079 and name HB or resid 2082 and name HA or resid 2092 and name HA or resid 2097 and name HA or resid 2104 and name HA or resid 2108 and name HA or resid 2120 and name HA or resid 2129 and name HA or resid 2137 and name HA or resid 2138 and name HA ) 2.5 0.8 0.8 volume=1.600 peak=281 ppm1=8.932 ppm2=4.408 assign ( resid 2068 and name H ) ( resid 2050 and name HG3 or resid 2068 and name HB# or resid 2083 and name HG13 or resid 2128 and name HG or resid 2135 and name HB3 or resid 2135 and name HB2 ) 2.2 0.6 0.6 volume=3.416 peak=102 ppm1=8.569 ppm2=1.656 assign ( resid 2135 and name H ) ( resid 2062 and name HB or resid 2066 and name HA or resid 2080 and name HA or resid 2112 and name HA or resid 2117 and name HA or resid 2126 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 2.3 0.7 0.7 volume=2.342 peak=111 ppm1=7.912 ppm2=4.261 assign ( resid 2066 and name H ) ( resid 2068 and name H or resid 2070 and name H or resid 2102 and name H or resid 2113 and name H or resid 2132 and name H or resid 2133 and name H ) 3.3 1.4 1.4 volume=0.257 peak=86 ppm1=7.772 ppm2=8.581 assign ( resid 2136 and name H ) ( resid 2056 and name HD3 or resid 2062 and name HA or resid 2073 and name HA or resid 2080 and name HD3 or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2102 and name HA or resid 2115 and name HD3 or resid 2116 and name HD2 or resid 2135 and name HA ) 3.1 1.2 1.2 volume=0.381 peak=312 ppm1=8.142 ppm2=3.951 assign ( resid 2132 and name H ) ( resid 2059 and name HG2 or resid 2089 and name HB3 or resid 2091 and name HB3 or resid 2091 and name HB2 or resid 2104 and name HB3 or resid 2109 and name HB2 or resid 2131 and name HB2 ) 2.8 1.0 1.0 volume=0.754 peak=291 ppm1=8.605 ppm2=2.861 assign ( resid 2131 and name H ) ( resid 2131 and name HD2 ) 3.6 1.6 1.6 volume=0.169 peak=289 ppm1=7.929 ppm2=6.053 assign ( resid 2119 and name H ) ( resid 2053 and name HA2 or resid 2055 and name HB2 or resid 2057 and name HA or resid 2068 and name HA or resid 2069 and name HA or resid 2083 and name HA or resid 2085 and name HD3 or resid 2094 and name HA or resid 2098 and name HA or resid 2118 and name HA or resid 2121 and name HA or resid 2128 and name HA ) 3.2 1.3 1.3 volume=0.327 peak=254 ppm1=8.122 ppm2=4.057 assign ( resid 2095 and name H ) ( resid 2095 and name HB3 or resid 2109 and name HB3 or resid 2113 and name HB2 ) 3.1 1.2 1.2 volume=0.394 peak=175 ppm1=8.056 ppm2=2.701 assign ( resid 2084 and name H ) ( resid 2055 and name HB2 or resid 2056 and name HD2 or resid 2065 and name HA or resid 2068 and name HA or resid 2074 and name HA or resid 2082 and name HB3 or resid 2083 and name HA or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HA or resid 2087 and name HB or resid 2094 and name HA or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2130 and name HA ) 2.2 0.6 0.6 volume=3.513 peak=120 ppm1=8.337 ppm2=4.019 assign ( resid 2066 and name H ) ( resid 2062 and name HB or resid 2066 and name HA or resid 2080 and name HA or resid 2085 and name HA or resid 2112 and name HA or resid 2117 and name HA or resid 2126 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 2.5 0.8 0.8 volume=1.462 peak=88 ppm1=7.770 ppm2=4.259 assign ( resid 2102 and name H ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2097 and name HD2# or resid 2100 and name HD2# or resid 2100 and name HD1# or resid 2124 and name HG2# or resid 2128 and name HD2# or resid 2128 and name HD1# or resid 2137 and name HG2# ) 2.6 0.8 0.8 volume=1.212 peak=227 ppm1=8.595 ppm2=1.025 assign ( resid 2104 and name H or resid 2128 and name H ) ( resid 2058 and name HA or resid 2061 and name HA or resid 2063 and name HA or resid 2076 and name HA3 or resid 2081 and name HA or resid 2100 and name HA or resid 2101 and name HA or resid 2105 and name HA or resid 2110 and name HB or resid 2111 and name HA3 or resid 2116 and name HA or resid 2125 and name HA or resid 2127 and name HA ) 2.3 0.7 0.7 volume=2.392 peak=231 ppm1=8.884 ppm2=4.134 assign ( resid 2052 and name HD22 ) ( resid 2052 and name HB3 or resid 2052 and name HB2 or resid 2089 and name HB2 ) 2.8 1.0 1.0 volume=0.661 peak=9 ppm1=7.821 ppm2=2.779 assign ( resid 2065 and name H or resid 2139 and name H ) ( resid 2049 and name HG2 or resid 2057 and name HG3 or resid 2057 and name HG2 or resid 2058 and name HG2 or resid 2058 and name HG3 or resid 2058 and name HB3 or resid 2061 and name HG2 or resid 2085 and name HB3 or resid 2101 and name HG2 or resid 2115 and name HB2 or resid 2138 and name HG3 or resid 2138 and name HG2 ) 3.4 1.4 1.4 volume=0.239 peak=80 ppm1=8.302 ppm2=2.446 assign ( resid 2070 and name H ) ( resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.7 0.9 0.9 volume=0.999 peak=106 ppm1=8.570 ppm2=0.800 assign ( resid 2132 and name H ) ( resid 2062 and name HB or resid 2064 and name HA or resid 2066 and name HA or resid 2080 and name HA or resid 2085 and name HA or resid 2117 and name HA or resid 2126 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 2.9 1.1 1.1 volume=0.538 peak=295 ppm1=8.602 ppm2=4.247 assign ( resid 2060 and name H ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD1# or resid 2063 and name HD2# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 3.2 1.2 1.2 volume=0.358 peak=47 ppm1=7.985 ppm2=0.858 assign ( resid 2059 and name H ) ( resid 2059 and name HB3 or resid 2125 and name HD2 ) 2.7 0.9 0.9 volume=0.911 peak=27 ppm1=9.120 ppm2=2.587 assign ( resid 2068 and name H ) ( resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.9 1.1 1.1 volume=0.562 peak=103 ppm1=8.569 ppm2=0.794 assign ( resid 2098 and name H ) ( resid 2100 and name H ) 3.4 1.4 1.4 volume=0.246 peak=192 ppm1=8.910 ppm2=7.237 assign ( resid 2065 and name H ) ( resid 2049 and name HA or resid 2065 and name HB or resid 2071 and name HA or resid 2073 and name HB or resid 2075 and name HA or resid 2090 and name HA or resid 2105 and name HB or resid 2107 and name HB ) 2.3 0.7 0.7 volume=2.435 peak=82 ppm1=8.306 ppm2=4.345 assign ( resid 2117 and name H ) ( resid 2062 and name HG2# or resid 2079 and name HG2# or resid 2114 and name HD1# or resid 2117 and name HG2# or resid 2132 and name HB3 or resid 2134 and name HG2# or resid 2135 and name HG3 or resid 2135 and name HG2 ) 2.4 0.7 0.7 volume=1.923 peak=244 ppm1=6.818 ppm2=1.198 assign ( resid 2101 and name H ) ( resid 2054 and name HB3 or resid 2100 and name HB2 or resid 2100 and name HB3 or resid 2115 and name HG3 or resid 2121 and name HB3 ) 2.4 0.7 0.7 volume=1.875 peak=215 ppm1=7.550 ppm2=1.883 assign ( resid 2051 and name H ) ( resid 2050 and name HG2 or resid 2051 and name HB3 or resid 2075 and name HG or resid 2090 and name HB3 or resid 2090 and name HD3 or resid 2090 and name HD2 or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2118 and name HB2 or resid 2127 and name HB# or resid 2136 and name HG or resid 2136 and name HB3 ) 2.8 1.0 1.0 volume=0.738 peak=4 ppm1=8.745 ppm2=1.751 assign ( resid 2071 and name H ) ( resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.6 0.9 0.9 volume=1.029 peak=107 ppm1=8.204 ppm2=0.789 assign ( resid 2138 and name H ) ( resid 2062 and name HG2# or resid 2079 and name HG2# or resid 2114 and name HD1# or resid 2117 and name HG2# or resid 2132 and name HB3 or resid 2134 and name HG2# or resid 2135 and name HG3 or resid 2135 and name HG2 ) 3.4 1.4 1.4 volume=0.235 peak=319 ppm1=7.748 ppm2=1.208 assign ( resid 2092 and name H ) ( resid 2091 and name HA or resid 2109 and name HA or resid 2113 and name HA ) 2.8 1.0 1.0 volume=0.678 peak=148 ppm1=7.822 ppm2=4.626 assign ( resid 2120 and name H ) ( resid 2053 and name HA3 or resid 2059 and name HA or resid 2082 and name HB2 or resid 2085 and name HD2 or resid 2116 and name HD3 or resid 2119 and name HA or resid 2133 and name HA or resid 2139 and name HB2 or resid 2139 and name HB3 ) 3.1 1.2 1.2 volume=0.418 peak=218 ppm1=7.518 ppm2=3.865 assign ( resid 2083 and name H or resid 2094 and name H ) ( resid 2055 and name HB3 or resid 2082 and name HA or resid 2086 and name HA or resid 2088 and name HA or resid 2097 and name HA or resid 2104 and name HA or resid 2120 and name HA or resid 2124 and name HA or resid 2124 and name HB or resid 2129 and name HA or resid 2138 and name HA or resid 2139 and name HA ) 2.6 0.8 0.8 volume=1.137 peak=117 ppm1=7.605 ppm2=4.432 assign ( resid 2059 and name H ) ( resid 2057 and name HB3 or resid 2058 and name HB2 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2080 and name HB3 or resid 2092 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB3 or resid 2116 and name HB2 or resid 2132 and name HG or resid 2138 and name HB2 or resid 2138 and name HB3 ) 2.8 1.0 1.0 volume=0.770 peak=22 ppm1=9.120 ppm2=2.102 assign ( resid 2129 and name H ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2056 and name HB2 or resid 2057 and name HB2 or resid 2063 and name HB3 or resid 2080 and name HG2 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG3 or resid 2085 and name HG2 or resid 2097 and name HB2 or resid 2115 and name HB3 or resid 2118 and name HB3 or resid 2125 and name HB3 or resid 2128 and name HB2 or resid 2130 and name HB3 or resid 2132 and name HB2 ) 2.8 1.0 1.0 volume=0.780 peak=285 ppm1=8.932 ppm2=2.023 assign ( resid 2067 and name H ) ( resid 2066 and name H or resid 2076 and name H or resid 2103 and name H or resid 2131 and name HE1 or resid 2133 and name HE1 or resid 2138 and name H ) 2.7 0.9 0.9 volume=1.002 peak=97 ppm1=8.815 ppm2=7.775 assign ( resid 2099 and name H ) ( resid 2049 and name H or resid 2052 and name H or resid 2065 and name H or resid 2097 and name H or resid 2106 and name H or resid 2134 and name H or resid 2139 and name H ) 2.9 1.1 1.1 volume=0.546 peak=207 ppm1=8.998 ppm2=8.294 assign ( resid 2060 and name H ) ( resid 2059 and name H ) 2.8 1.0 1.0 volume=0.728 peak=40 ppm1=7.988 ppm2=9.124 assign ( resid 2092 and name H ) ( resid 2056 and name HA or resid 2073 and name HB or resid 2079 and name HB or resid 2092 and name HA or resid 2104 and name HA or resid 2108 and name HA or resid 2120 and name HA or resid 2129 and name HA or resid 2137 and name HA or resid 2138 and name HA ) 2.5 0.8 0.8 volume=1.296 peak=149 ppm1=7.822 ppm2=4.379 assign ( resid 2097 and name H ) ( resid 2056 and name HD2 or resid 2062 and name HA or resid 2065 and name HA or resid 2068 and name HA or resid 2074 and name HA or resid 2082 and name HB3 or resid 2083 and name HA or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HA or resid 2087 and name HB or resid 2094 and name HA or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2115 and name HD3 or resid 2130 and name HA ) 2.8 0.9 0.9 volume=0.811 peak=190 ppm1=8.283 ppm2=4.013 assign ( resid 2059 and name HE22 ) ( resid 2054 and name H or resid 2059 and name HE21 or resid 2109 and name HD22 or resid 2124 and name H ) 2.1 0.6 0.6 volume=3.793 peak=30 ppm1=7.103 ppm2=7.418 assign ( resid 2100 and name H ) ( resid 2054 and name HB3 or resid 2100 and name HB2 or resid 2100 and name HB3 or resid 2121 and name HB3 ) 2.1 0.6 0.6 volume=3.727 peak=140 ppm1=7.228 ppm2=1.876 assign ( resid 2118 and name H ) ( resid 2062 and name HB or resid 2066 and name HA or resid 2080 and name HA or resid 2085 and name HA or resid 2117 and name HA or resid 2126 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 2.9 1.0 1.0 volume=0.610 peak=246 ppm1=7.367 ppm2=4.254 assign ( resid 2063 and name H ) ( resid 2062 and name HB or resid 2066 and name HA or resid 2080 and name HA or resid 2085 and name HA or resid 2112 and name HA or resid 2117 and name HA or resid 2126 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 2.6 0.9 0.9 volume=1.048 peak=66 ppm1=7.939 ppm2=4.256 assign ( resid 2121 and name H ) ( resid 2056 and name HA or resid 2079 and name HB or resid 2082 and name HA or resid 2092 and name HA or resid 2104 and name HA or resid 2108 and name HA or resid 2120 and name HA or resid 2129 and name HA or resid 2137 and name HA or resid 2138 and name HA ) 2.8 1.0 1.0 volume=0.734 peak=261 ppm1=8.005 ppm2=4.395 assign ( resid 2062 and name H ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD1# or resid 2063 and name HD2# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 2.9 1.0 1.0 volume=0.632 peak=63 ppm1=8.391 ppm2=0.858 assign ( resid 2122 and name H ) ( resid 2053 and name HA2 or resid 2055 and name HB2 or resid 2057 and name HA or resid 2068 and name HA or resid 2069 and name HA or resid 2083 and name HA or resid 2085 and name HD3 or resid 2094 and name HA or resid 2098 and name HA or resid 2118 and name HA or resid 2121 and name HA or resid 2128 and name HA ) 2.6 0.8 0.8 volume=1.139 peak=269 ppm1=7.322 ppm2=4.062 assign ( resid 2062 and name H ) ( resid 2062 and name HB or resid 2066 and name HA or resid 2080 and name HA or resid 2085 and name HA or resid 2112 and name HA or resid 2117 and name HA or resid 2126 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 2.4 0.7 0.7 volume=1.744 peak=60 ppm1=8.395 ppm2=4.259 assign ( resid 2099 and name H ) ( resid 2119 and name HG2# ) 3.7 1.7 1.7 volume=0.149 peak=202 ppm1=8.998 ppm2=0.260 assign ( resid 2100 and name H ) ( resid 2061 and name HE21 or resid 2087 and name H or resid 2101 and name H or resid 2120 and name H ) 2.4 0.7 0.7 volume=1.941 peak=137 ppm1=7.226 ppm2=7.550 assign ( resid 2121 and name H ) ( resid 2053 and name HA2 or resid 2055 and name HB2 or resid 2057 and name HA or resid 2068 and name HA or resid 2069 and name HA or resid 2083 and name HA or resid 2085 and name HD3 or resid 2094 and name HA or resid 2098 and name HA or resid 2118 and name HA or resid 2121 and name HA or resid 2128 and name HA ) 2.5 0.8 0.8 volume=1.591 peak=262 ppm1=8.009 ppm2=4.056 assign ( resid 2093 and name H ) ( resid 2076 and name HA2 or resid 2093 and name HA3 or resid 2125 and name HD3 ) 2.4 0.7 0.7 volume=2.009 peak=160 ppm1=7.495 ppm2=3.760 assign ( resid 2054 and name H ) ( resid 2047 and name HB2 or resid 2047 and name HB3 or resid 2053 and name HA3 or resid 2059 and name HA or resid 2082 and name HB2 or resid 2085 and name HD2 or resid 2119 and name HA or resid 2133 and name HA or resid 2139 and name HB2 or resid 2139 and name HB3 ) 2.9 1.1 1.1 volume=0.567 peak=11 ppm1=7.410 ppm2=3.849 assign ( resid 2100 and name H ) ( resid 2071 and name HG2# or resid 2073 and name HG2# or resid 2079 and name HG2# or resid 2099 and name HB# or resid 2110 and name HG2# or resid 2114 and name HD1# ) 2.5 0.8 0.8 volume=1.500 peak=142 ppm1=7.228 ppm2=1.258 assign ( resid 2094 and name H ) ( resid 2076 and name HA2 or resid 2093 and name HA3 or resid 2125 and name HD3 ) 2.8 1.0 1.0 volume=0.679 peak=170 ppm1=7.590 ppm2=3.760 assign ( resid 2119 and name H ) ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2066 and name HG or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2119 and name HB or resid 2135 and name HB3 or resid 2136 and name HB2 ) 2.5 0.8 0.8 volume=1.439 peak=251 ppm1=8.120 ppm2=1.604 assign ( resid 2067 and name H ) ( resid 2049 and name H or resid 2052 and name H or resid 2065 and name H or resid 2084 and name H or resid 2097 and name H or resid 2106 and name H or resid 2134 and name H or resid 2139 and name H ) 3.2 1.3 1.3 volume=0.316 peak=99 ppm1=8.818 ppm2=8.304 assign ( resid 2068 and name H ) ( resid 2067 and name H or resid 2088 and name H ) 2.5 0.8 0.8 volume=1.469 peak=100 ppm1=8.569 ppm2=8.818 assign ( resid 2134 and name H ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2134 and name HA ) 2.6 0.9 0.9 volume=1.122 peak=309 ppm1=8.273 ppm2=3.708 assign ( resid 2100 and name H ) ( resid 2119 and name HG2# ) 3.9 1.9 1.9 volume=0.093 peak=144 ppm1=7.220 ppm2=0.285 assign ( resid 2092 and name H ) ( resid 2091 and name H or resid 2120 and name HD# ) 2.4 0.7 0.7 volume=1.742 peak=154 ppm1=7.822 ppm2=7.194 assign ( resid 2059 and name H ) ( resid 2058 and name HA or resid 2063 and name HA or resid 2070 and name HA or resid 2076 and name HA3 or resid 2081 and name HA or resid 2089 and name HA or resid 2096 and name HA or resid 2100 and name HA or resid 2101 and name HA or resid 2105 and name HA or resid 2106 and name HA or resid 2110 and name HB or resid 2111 and name HA3 or resid 2125 and name HA or resid 2127 and name HA ) 3.1 1.2 1.2 volume=0.435 peak=25 ppm1=9.121 ppm2=4.153 assign ( resid 2132 and name H ) ( resid 2062 and name HG2# or resid 2079 and name HG2# or resid 2114 and name HD1# or resid 2117 and name HG2# or resid 2132 and name HB3 or resid 2134 and name HG2# or resid 2135 and name HG3 or resid 2135 and name HG2 ) 2.7 0.9 0.9 volume=0.916 peak=293 ppm1=8.605 ppm2=1.206 assign ( resid 2067 and name H ) ( resid 2054 and name HD2# or resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.7 0.9 0.9 volume=0.991 peak=95 ppm1=8.815 ppm2=0.811 assign ( resid 2099 and name H ) ( resid 2083 and name HD1# or resid 2094 and name HG2# or resid 2094 and name HD1# or resid 2112 and name HD1# or resid 2119 and name HG13 ) 2.6 0.8 0.8 volume=1.208 peak=201 ppm1=9.000 ppm2=0.721 assign ( resid 2101 and name H ) ( resid 2100 and name H ) 2.4 0.7 0.7 volume=1.768 peak=219 ppm1=7.549 ppm2=7.233 assign ( resid 2095 and name H ) ( resid 2083 and name HD1# or resid 2094 and name HG2# or resid 2094 and name HD1# or resid 2112 and name HD1# or resid 2119 and name HG13 ) 2.4 0.7 0.7 volume=1.701 peak=178 ppm1=8.055 ppm2=0.732 assign ( resid 2101 and name H ) ( resid 2056 and name HG2 or resid 2067 and name HB or resid 2101 and name HG3 or resid 2125 and name HB2 or resid 2128 and name HB3 ) 2.6 0.8 0.8 volume=1.253 peak=213 ppm1=7.550 ppm2=2.268 assign ( resid 2064 and name H ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD1# or resid 2063 and name HD2# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 2.9 1.1 1.1 volume=0.581 peak=78 ppm1=8.901 ppm2=0.849 assign ( resid 2061 and name H ) ( resid 2060 and name HA or resid 2067 and name HA or resid 2129 and name HB or resid 2132 and name HA ) 3.0 1.2 1.2 volume=0.442 peak=52 ppm1=8.117 ppm2=3.534 assign ( resid 2093 and name H ) ( resid 2056 and name HG3 or resid 2057 and name HB3 or resid 2058 and name HB2 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2080 and name HG3 or resid 2080 and name HB2 or resid 2080 and name HB3 or resid 2092 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB2 or resid 2103 and name HB3 or resid 2116 and name HG2 or resid 2116 and name HB2 or resid 2116 and name HG3 or resid 2130 and name HB2 or resid 2132 and name HG or resid 2138 and name HB3 ) 3.1 1.2 1.2 volume=0.398 peak=162 ppm1=7.495 ppm2=2.123 assign ( resid 2102 and name H ) ( resid 2057 and name HB3 or resid 2058 and name HB2 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2080 and name HB3 or resid 2092 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB3 or resid 2116 and name HB2 or resid 2132 and name HG or resid 2138 and name HB2 or resid 2138 and name HB3 ) 2.5 0.8 0.8 volume=1.539 peak=226 ppm1=8.594 ppm2=2.104 assign ( resid 2101 and name H or resid 2120 and name H ) ( resid 2083 and name HD1# or resid 2094 and name HG2# or resid 2094 and name HD1# or resid 2112 and name HD1# or resid 2119 and name HG13 ) 3.3 1.3 1.3 volume=0.300 peak=217 ppm1=7.529 ppm2=0.741 assign ( resid 2127 and name H ) ( resid 2050 and name HG2 or resid 2051 and name HB3 or resid 2083 and name HG13 or resid 2092 and name HG or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2118 and name HB2 or resid 2127 and name HB# ) 2.3 0.7 0.7 volume=2.429 peak=278 ppm1=8.434 ppm2=1.717 assign ( resid 2062 and name H ) ( resid 2061 and name H or resid 2082 and name H or resid 2119 and name H or resid 2136 and name H ) 2.6 0.9 0.9 volume=1.057 peak=58 ppm1=8.394 ppm2=8.118 assign ( resid 2059 and name HE22 ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD1# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 3.1 1.2 1.2 volume=0.431 peak=32 ppm1=7.105 ppm2=0.870 assign ( resid 2131 and name H ) ( resid 2059 and name HG2 or resid 2089 and name HB3 or resid 2091 and name HB3 or resid 2091 and name HB2 or resid 2104 and name HB3 or resid 2109 and name HB2 or resid 2131 and name HB2 ) 2.5 0.8 0.8 volume=1.499 peak=287 ppm1=7.924 ppm2=2.863 assign ( resid 2098 and name H ) ( resid 2049 and name HE# or resid 2049 and name HB3 or resid 2056 and name HB2 or resid 2080 and name HG2 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG3 or resid 2085 and name HG2 or resid 2097 and name HB2 or resid 2115 and name HB3 or resid 2118 and name HB3 or resid 2123 and name HG2 or resid 2125 and name HB3 or resid 2130 and name HB3 or resid 2132 and name HB2 or resid 2138 and name HB2 ) 2.6 0.8 0.8 volume=1.287 peak=196 ppm1=8.909 ppm2=2.048 assign ( resid 2102 and name H ) ( resid 2052 and name HD22 or resid 2066 and name H or resid 2076 and name H or resid 2092 and name H or resid 2103 and name H ) 2.7 0.9 0.9 volume=0.842 peak=223 ppm1=8.594 ppm2=7.790 assign ( resid 2083 and name H or resid 2094 and name H ) ( resid 2050 and name HG2 or resid 2051 and name HB3 or resid 2092 and name HG or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2118 and name HB2 or resid 2127 and name HB# ) 2.3 0.7 0.7 volume=2.361 peak=167 ppm1=7.592 ppm2=1.723 assign ( resid 2069 and name H ) ( resid 2054 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2069 and name HB# or resid 2075 and name HB2 or resid 2088 and name HB# or resid 2090 and name HG2 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2118 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 2.1 0.5 0.5 volume=4.434 peak=104 ppm1=8.644 ppm2=1.564 assign ( resid 2097 and name H ) ( resid 2055 and name HB3 or resid 2082 and name HA or resid 2086 and name HA or resid 2088 and name HA or resid 2097 and name HA or resid 2104 and name HA or resid 2120 and name HA or resid 2124 and name HA or resid 2124 and name HB or resid 2129 and name HA or resid 2138 and name HA or resid 2139 and name HA ) 2.5 0.8 0.8 volume=1.438 peak=188 ppm1=8.282 ppm2=4.429 assign ( resid 2095 and name H ) ( resid 2058 and name HA or resid 2064 and name HA or resid 2070 and name HA or resid 2089 and name HA or resid 2096 and name HA or resid 2098 and name HB or resid 2106 and name HA or resid 2107 and name HA or resid 2110 and name HB ) 2.9 1.0 1.0 volume=0.609 peak=179 ppm1=8.054 ppm2=4.190 assign ( resid 2059 and name HE21 ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD1# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 2.9 1.1 1.1 volume=0.546 peak=33 ppm1=7.413 ppm2=0.867 assign ( resid 2138 and name H ) ( resid 2062 and name HB or resid 2066 and name HA or resid 2080 and name HA or resid 2085 and name HA or resid 2117 and name HA or resid 2126 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 2.8 1.0 1.0 volume=0.723 peak=323 ppm1=7.747 ppm2=4.248 assign ( resid 2059 and name H ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD1# or resid 2063 and name HD2# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 2.8 1.0 1.0 volume=0.665 peak=24 ppm1=9.120 ppm2=0.859 assign ( resid 2138 and name H ) ( resid 2049 and name HG2 or resid 2085 and name HB3 or resid 2101 and name HG2 or resid 2115 and name HB2 or resid 2123 and name HB3 or resid 2138 and name HG3 or resid 2138 and name HG2 ) 2.5 0.8 0.8 volume=1.379 peak=321 ppm1=7.747 ppm2=2.421 assign ( resid 2063 and name H ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H or resid 2129 and name H ) 2.7 0.9 0.9 volume=0.914 peak=70 ppm1=7.939 ppm2=8.910 assign ( resid 2137 and name H ) ( resid 2056 and name HA or resid 2073 and name HB or resid 2079 and name HB or resid 2092 and name HA or resid 2104 and name HA or resid 2108 and name HA or resid 2120 and name HA or resid 2129 and name HA or resid 2137 and name HA or resid 2138 and name HA ) 2.5 0.8 0.8 volume=1.305 peak=314 ppm1=7.590 ppm2=4.380 assign ( resid 2099 and name H ) ( resid 2071 and name HG2# or resid 2073 and name HG2# or resid 2079 and name HG2# or resid 2099 and name HB# or resid 2110 and name HG2# or resid 2114 and name HD1# or resid 2134 and name HG2# ) 2.2 0.6 0.6 volume=2.779 peak=200 ppm1=9.000 ppm2=1.254 assign ( resid 2119 and name H ) ( resid 2067 and name HG2# or resid 2067 and name HG1# or resid 2106 and name HB2 or resid 2118 and name HD2# or resid 2119 and name HG12 or resid 2129 and name HG2# ) 2.6 0.8 0.8 volume=1.194 peak=252 ppm1=8.120 ppm2=1.104 assign ( resid 2067 and name H ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2056 and name HB2 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2063 and name HB3 or resid 2066 and name HB2 or resid 2080 and name HG2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2106 and name HB3 or resid 2123 and name HG3 or resid 2125 and name HB3 or resid 2128 and name HB2 ) 2.6 0.9 0.9 volume=1.118 peak=93 ppm1=8.820 ppm2=1.994 assign ( resid 2059 and name H ) ( resid 2050 and name HB2 or resid 2054 and name HB3 or resid 2059 and name HB2 or resid 2063 and name HG or resid 2100 and name HG or resid 2102 and name HB2 or resid 2106 and name HG ) 2.7 0.9 0.9 volume=0.875 peak=23 ppm1=9.120 ppm2=1.851 assign ( resid 2095 and name H ) ( resid 2055 and name HB2 or resid 2056 and name HD2 or resid 2065 and name HA or resid 2068 and name HA or resid 2074 and name HA or resid 2083 and name HA or resid 2087 and name HA or resid 2094 and name HA or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2121 and name HA or resid 2130 and name HA ) 2.3 0.7 0.7 volume=2.246 peak=173 ppm1=8.055 ppm2=4.029 assign ( resid 2065 and name H ) ( resid 2051 and name HB2 or resid 2054 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2066 and name HG or resid 2069 and name HB# or resid 2075 and name HB2 or resid 2088 and name HB# or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2118 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 2.4 0.7 0.7 volume=1.896 peak=79 ppm1=8.307 ppm2=1.575 assign ( resid 2093 and name H ) ( resid 2059 and name HG2 or resid 2089 and name HB3 or resid 2091 and name HB3 or resid 2091 and name HB2 or resid 2109 and name HB2 or resid 2131 and name HB2 ) 3.4 1.4 1.4 volume=0.236 peak=161 ppm1=7.491 ppm2=2.849 assign ( resid 2098 and name H ) ( resid 2055 and name HB3 or resid 2082 and name HA or resid 2086 and name HA or resid 2097 and name HA or resid 2104 and name HA or resid 2120 and name HA or resid 2124 and name HA or resid 2124 and name HB or resid 2129 and name HA or resid 2138 and name HA or resid 2139 and name HA ) 2.9 1.0 1.0 volume=0.610 peak=193 ppm1=8.908 ppm2=4.427 assign ( resid 2133 and name H ) ( resid 2095 and name HB2 or resid 2108 and name HB2 or resid 2133 and name HB3 ) 2.5 0.8 0.8 volume=1.412 peak=301 ppm1=8.546 ppm2=3.291 assign ( resid 2133 and name H ) ( resid 2060 and name HA or resid 2067 and name HA or resid 2129 and name HB or resid 2132 and name HA ) 2.9 1.0 1.0 volume=0.635 peak=300 ppm1=8.546 ppm2=3.547 assign ( resid 2061 and name H ) ( resid 2062 and name H or resid 2072 and name H ) 2.6 0.8 0.8 volume=1.208 peak=54 ppm1=8.118 ppm2=8.393 assign ( resid 2059 and name H ) ( resid 2059 and name HG2 or resid 2089 and name HB3 or resid 2091 and name HB3 or resid 2091 and name HB2 or resid 2109 and name HB2 or resid 2131 and name HB2 ) 2.7 0.9 0.9 volume=0.870 peak=21 ppm1=9.119 ppm2=2.849 assign ( resid 2129 and name H ) ( resid 2067 and name HB or resid 2074 and name HB or resid 2115 and name HG2 or resid 2128 and name HB3 or resid 2130 and name HG3 ) 2.7 0.9 0.9 volume=0.914 peak=284 ppm1=8.931 ppm2=2.233 assign ( resid 2117 and name H ) ( resid 2053 and name HA2 or resid 2057 and name HA or resid 2061 and name HA or resid 2063 and name HA or resid 2069 and name HA or resid 2085 and name HD3 or resid 2098 and name HA or resid 2116 and name HA or resid 2118 and name HA or resid 2121 and name HA or resid 2125 and name HA or resid 2128 and name HA ) 2.8 1.0 1.0 volume=0.691 peak=243 ppm1=6.819 ppm2=4.087 assign ( resid 2059 and name HE22 ) ( resid 2050 and name HB2 or resid 2059 and name HB2 or resid 2063 and name HG or resid 2100 and name HG or resid 2102 and name HB2 or resid 2106 and name HG ) 3.2 1.3 1.3 volume=0.337 peak=34 ppm1=7.102 ppm2=1.830 assign ( resid 2052 and name HD21 ) ( resid 2048 and name HE1 or resid 2052 and name HD22 or resid 2092 and name H or resid 2103 and name H or resid 2104 and name HD22 or resid 2108 and name HE1 ) 2.1 0.5 0.5 volume=4.617 peak=6 ppm1=7.081 ppm2=7.822 assign ( resid 2060 and name HE21 ) ( resid 2056 and name HG3 or resid 2057 and name HB3 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2061 and name HB2 or resid 2080 and name HG3 or resid 2080 and name HB2 or resid 2080 and name HB3 or resid 2092 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB2 or resid 2103 and name HB3 or resid 2116 and name HG2 or resid 2116 and name HB2 or resid 2116 and name HG3 or resid 2130 and name HB2 or resid 2132 and name HG or resid 2138 and name HB3 ) 2.8 1.0 1.0 volume=0.666 peak=48 ppm1=6.825 ppm2=2.126 assign ( resid 2130 and name H ) ( resid 2064 and name H or resid 2098 and name H or resid 2129 and name H ) 2.6 0.8 0.8 volume=1.200 peak=114 ppm1=7.887 ppm2=8.932 assign ( resid 2122 and name H ) ( resid 2056 and name HA or resid 2079 and name HB or resid 2082 and name HA or resid 2092 and name HA or resid 2097 and name HA or resid 2104 and name HA or resid 2108 and name HA or resid 2120 and name HA or resid 2129 and name HA or resid 2137 and name HA or resid 2138 and name HA ) 3.4 1.5 1.5 volume=0.222 peak=268 ppm1=7.322 ppm2=4.400 assign ( resid 2074 and name H or resid 2130 and name H or resid 2135 and name H ) ( resid 2056 and name HD2 or resid 2056 and name HD3 or resid 2062 and name HA or resid 2065 and name HA or resid 2074 and name HA or resid 2082 and name HB3 or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HA or resid 2087 and name HB or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2102 and name HA or resid 2115 and name HD3 or resid 2130 and name HA or resid 2135 and name HA ) 2.3 0.6 0.6 volume=2.636 peak=112 ppm1=7.910 ppm2=3.986 assign ( resid 2067 and name H ) ( resid 2056 and name HG2 or resid 2067 and name HB or resid 2101 and name HG3 or resid 2125 and name HB2 or resid 2128 and name HB3 or resid 2130 and name HG3 ) 2.4 0.7 0.7 volume=1.735 peak=94 ppm1=8.816 ppm2=2.258 assign ( resid 2119 and name H ) ( resid 2083 and name HD1# or resid 2094 and name HG2# or resid 2094 and name HD1# or resid 2112 and name HD1# or resid 2119 and name HG13 ) 2.8 1.0 1.0 volume=0.701 peak=253 ppm1=8.120 ppm2=0.737 assign ( resid 2101 and name H ) ( resid 2057 and name HB3 or resid 2058 and name HB2 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2080 and name HB3 or resid 2092 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB3 or resid 2116 and name HB2 or resid 2132 and name HG or resid 2138 and name HB2 or resid 2138 and name HB3 ) 2.2 0.6 0.6 volume=2.753 peak=214 ppm1=7.551 ppm2=2.103 assign ( resid 2121 and name H ) ( resid 2059 and name HG3 or resid 2081 and name HG2 or resid 2081 and name HG3 or resid 2116 and name HB3 or resid 2121 and name HB2 or resid 2122 and name HB2 or resid 2123 and name HB2 ) 2.5 0.8 0.8 volume=1.351 peak=258 ppm1=8.009 ppm2=2.348 assign ( resid 2060 and name H ) ( resid 2050 and name HB3 or resid 2060 and name HB2 or resid 2060 and name HG2 or resid 2066 and name HB2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2106 and name HB3 or resid 2123 and name HG3 ) 2.4 0.7 0.7 volume=2.050 peak=46 ppm1=7.988 ppm2=1.959 assign ( resid 2127 and name H ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2097 and name HD2# or resid 2100 and name HD2# or resid 2100 and name HD1# or resid 2124 and name HG2# or resid 2128 and name HD2# or resid 2128 and name HD1# or resid 2137 and name HG2# ) 2.9 1.1 1.1 volume=0.558 peak=277 ppm1=8.433 ppm2=1.025 assign ( resid 2092 and name H or resid 2103 and name H ) ( resid 2056 and name HD2 or resid 2062 and name HA or resid 2065 and name HA or resid 2074 and name HA or resid 2082 and name HB3 or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HA or resid 2087 and name HB or resid 2094 and name HA or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2102 and name HA or resid 2115 and name HD3 or resid 2130 and name HA or resid 2135 and name HA ) 3.1 1.2 1.2 volume=0.427 peak=150 ppm1=7.807 ppm2=3.997 assign ( resid 2120 and name H ) ( resid 2095 and name H or resid 2108 and name H or resid 2110 and name H or resid 2121 and name H or resid 2140 and name HE1 or resid 2140 and name H ) 2.3 0.7 0.7 volume=2.115 peak=220 ppm1=7.517 ppm2=8.021 assign ( resid 2060 and name HE21 ) ( resid 2050 and name HB3 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2060 and name HG2 or resid 2066 and name HB2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2106 and name HB3 or resid 2123 and name HG3 ) 3.0 1.1 1.1 volume=0.528 peak=49 ppm1=6.826 ppm2=1.965 assign ( resid 2120 and name H ) ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HG or resid 2066 and name HG or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2119 and name HB or resid 2135 and name HB3 or resid 2136 and name HB2 ) 3.0 1.1 1.1 volume=0.509 peak=210 ppm1=7.523 ppm2=1.609 assign ( resid 2099 and name H ) ( resid 2055 and name HB3 or resid 2082 and name HA or resid 2097 and name HA or resid 2104 and name HA or resid 2120 and name HA or resid 2124 and name HA or resid 2124 and name HB or resid 2129 and name HA or resid 2138 and name HA or resid 2139 and name HA ) 3.4 1.4 1.4 volume=0.231 peak=203 ppm1=8.999 ppm2=4.423 assign ( resid 2052 and name HD22 ) ( resid 2052 and name HD21 or resid 2059 and name HE22 or resid 2060 and name HE22 or resid 2130 and name HE22 or resid 2140 and name HD2 ) 2.1 0.5 0.5 volume=4.329 peak=7 ppm1=7.822 ppm2=7.084 assign ( resid 2096 and name H ) ( resid 2056 and name HD2 or resid 2062 and name HA or resid 2065 and name HA or resid 2074 and name HA or resid 2082 and name HB3 or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HA or resid 2087 and name HB or resid 2094 and name HA or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2102 and name HA or resid 2115 and name HD3 or resid 2130 and name HA or resid 2135 and name HA ) 3.2 1.3 1.3 volume=0.312 peak=181 ppm1=8.681 ppm2=4.001 assign ( resid 2126 and name H ) ( resid 2062 and name HB or resid 2066 and name HA or resid 2080 and name HA or resid 2112 and name HA or resid 2117 and name HA or resid 2126 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 2.4 0.7 0.7 volume=1.808 peak=16 ppm1=9.071 ppm2=4.266 assign ( resid 2059 and name H ) ( resid 2059 and name HG3 or resid 2081 and name HG2 or resid 2081 and name HG3 or resid 2116 and name HB3 or resid 2121 and name HB2 or resid 2122 and name HB2 or resid 2123 and name HB2 ) 2.8 0.9 0.9 volume=0.810 peak=28 ppm1=9.120 ppm2=2.350 assign ( resid 2127 and name H ) ( resid 2104 and name HB3 or resid 2126 and name HB3 or resid 2126 and name HB2 or resid 2135 and name HD2 ) 2.6 0.8 0.8 volume=1.146 peak=279 ppm1=8.435 ppm2=2.911 assign ( resid 2127 and name H ) ( resid 2058 and name HA or resid 2063 and name HA or resid 2070 and name HA or resid 2076 and name HA3 or resid 2081 and name HA or resid 2089 and name HA or resid 2096 and name HA or resid 2100 and name HA or resid 2101 and name HA or resid 2105 and name HA or resid 2106 and name HA or resid 2110 and name HB or resid 2111 and name HA3 or resid 2127 and name HA ) 2.5 0.8 0.8 volume=1.318 peak=276 ppm1=8.432 ppm2=4.154 assign ( resid 2134 and name H ) ( resid 2062 and name HB or resid 2066 and name HA or resid 2080 and name HA or resid 2112 and name HA or resid 2117 and name HA or resid 2126 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 2.3 0.6 0.6 volume=2.622 peak=308 ppm1=8.282 ppm2=4.262 assign ( resid 2061 and name HE21 ) ( resid 2056 and name HG3 or resid 2060 and name HG3 or resid 2061 and name HB2 or resid 2061 and name HB3 or resid 2080 and name HG3 or resid 2080 and name HB2 or resid 2103 and name HB2 or resid 2116 and name HG2 or resid 2116 and name HG3 or resid 2130 and name HG2 or resid 2130 and name HB2 or resid 2138 and name HB3 ) 3.3 1.3 1.3 volume=0.292 peak=56 ppm1=7.547 ppm2=2.163 assign ( resid 2098 and name H ) ( resid 2072 and name HB# or resid 2075 and name HB3 or resid 2087 and name HG2# or resid 2098 and name HG2# or resid 2103 and name HG2 or resid 2112 and name HG or resid 2114 and name HB3 ) 2.5 0.8 0.8 volume=1.571 peak=198 ppm1=8.910 ppm2=1.393 assign ( resid 2126 and name H ) ( resid 2076 and name HA2 or resid 2093 and name HA3 or resid 2111 and name HA2 or resid 2125 and name HD3 ) 3.0 1.2 1.2 volume=0.449 peak=15 ppm1=9.068 ppm2=3.782 assign ( resid 2137 and name H ) ( resid 2066 and name HB3 or resid 2075 and name HG or resid 2090 and name HB3 or resid 2090 and name HD3 or resid 2090 and name HD2 or resid 2136 and name HG or resid 2136 and name HB3 ) 2.8 1.0 1.0 volume=0.700 peak=316 ppm1=7.589 ppm2=1.775 assign ( resid 2093 and name H ) ( resid 2048 and name HE1 or resid 2052 and name HD22 or resid 2092 and name H or resid 2103 and name H or resid 2104 and name HD22 or resid 2108 and name HE1 ) 2.5 0.8 0.8 volume=1.623 peak=158 ppm1=7.495 ppm2=7.822 assign ( resid 2063 and name H ) ( resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2066 and name HG or resid 2069 and name HB# or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2118 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 3.0 1.2 1.2 volume=0.443 peak=64 ppm1=7.937 ppm2=1.580 assign ( resid 2068 and name H ) ( resid 2053 and name HA2 or resid 2055 and name HB2 or resid 2056 and name HD2 or resid 2065 and name HA or resid 2068 and name HA or resid 2083 and name HA or resid 2085 and name HD3 or resid 2087 and name HA or resid 2094 and name HA or resid 2096 and name HB3 or resid 2118 and name HA or resid 2121 and name HA ) 2.4 0.7 0.7 volume=1.788 peak=101 ppm1=8.568 ppm2=4.039 assign ( resid 2121 and name H ) ( resid 2120 and name HE# or resid 2122 and name H ) 2.5 0.8 0.8 volume=1.527 peak=264 ppm1=8.009 ppm2=7.323 assign ( resid 2094 and name H ) ( resid 2053 and name HA2 or resid 2055 and name HB2 or resid 2056 and name HD2 or resid 2065 and name HA or resid 2068 and name HA or resid 2074 and name HA or resid 2083 and name HA or resid 2087 and name HA or resid 2094 and name HA or resid 2096 and name HB3 or resid 2118 and name HA or resid 2121 and name HA ) 2.5 0.8 0.8 volume=1.392 peak=118 ppm1=7.604 ppm2=4.035 assign ( resid 2122 and name H ) ( resid 2060 and name H or resid 2108 and name H or resid 2110 and name H or resid 2121 and name H or resid 2140 and name HE1 ) 2.4 0.7 0.7 volume=1.735 peak=267 ppm1=7.321 ppm2=8.013 assign ( resid 2090 and name H ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2097 and name HD2# or resid 2100 and name HD1# or resid 2124 and name HG2# or resid 2128 and name HD1# or resid 2136 and name HD2# or resid 2137 and name HG2# ) 3.7 1.7 1.7 volume=0.144 peak=128 ppm1=9.234 ppm2=0.995 assign ( resid 2059 and name HE21 ) ( resid 2059 and name HG3 or resid 2081 and name HG2 or resid 2081 and name HG3 or resid 2116 and name HB3 or resid 2121 and name HB2 or resid 2122 and name HB2 or resid 2123 and name HB2 ) 3.0 1.1 1.1 volume=0.519 peak=36 ppm1=7.414 ppm2=2.348 assign ( resid 2121 and name H ) ( resid 2054 and name HB3 or resid 2100 and name HB2 or resid 2100 and name HB3 or resid 2115 and name HG3 or resid 2121 and name HB3 or resid 2125 and name HG2 ) 2.6 0.8 0.8 volume=1.224 peak=259 ppm1=8.013 ppm2=1.902 assign ( resid 2051 and name H ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD1# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 2.8 1.0 1.0 volume=0.672 peak=2 ppm1=8.745 ppm2=0.867 assign ( resid 2140 and name H ) ( resid 2050 and name HD3 or resid 2050 and name HD2 or resid 2103 and name HD2 or resid 2120 and name HB3 or resid 2140 and name HB2 ) 2.9 1.1 1.1 volume=0.570 peak=326 ppm1=8.056 ppm2=3.199 assign ( resid 2060 and name HE22 ) ( resid 2056 and name HG3 or resid 2057 and name HB3 or resid 2058 and name HB2 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2080 and name HG3 or resid 2080 and name HB2 or resid 2080 and name HB3 or resid 2092 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB2 or resid 2103 and name HB3 or resid 2116 and name HG2 or resid 2116 and name HB2 or resid 2116 and name HG3 or resid 2130 and name HB2 or resid 2132 and name HG or resid 2138 and name HB3 ) 2.5 0.8 0.8 volume=1.292 peak=50 ppm1=7.058 ppm2=2.122 assign ( resid 2136 and name H ) ( resid 2060 and name HA or resid 2067 and name HA or resid 2129 and name HB or resid 2132 and name HA ) 3.5 1.5 1.5 volume=0.206 peak=313 ppm1=8.148 ppm2=3.546 assign ( resid 2101 and name H ) ( resid 2099 and name H ) 3.2 1.3 1.3 volume=0.303 peak=222 ppm1=7.551 ppm2=8.980 assign ( resid 2083 and name H or resid 2094 and name H ) ( resid 2083 and name HD1# or resid 2083 and name HG2# or resid 2094 and name HG2# or resid 2094 and name HD1# ) 2.4 0.7 0.7 volume=1.926 peak=166 ppm1=7.593 ppm2=0.756 assign ( resid 2060 and name H ) ( resid 2047 and name HB2 or resid 2047 and name HB3 or resid 2053 and name HA3 or resid 2059 and name HA or resid 2085 and name HD2 or resid 2119 and name HA or resid 2133 and name HA ) 3.1 1.2 1.2 volume=0.364 peak=42 ppm1=7.989 ppm2=3.835 assign ( resid 2126 and name H ) ( resid 2127 and name H ) 2.8 1.0 1.0 volume=0.783 peak=17 ppm1=9.072 ppm2=8.435 assign ( resid 2099 and name H ) ( resid 2100 and name H ) 2.6 0.8 0.8 volume=1.209 peak=209 ppm1=9.000 ppm2=7.232 assign ( resid 2062 and name H ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H or resid 2129 and name H ) 3.3 1.3 1.3 volume=0.290 peak=57 ppm1=8.393 ppm2=8.911 assign ( resid 2133 and name H ) ( resid 2049 and name HB3 or resid 2058 and name HB2 or resid 2080 and name HB3 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG3 or resid 2085 and name HG2 or resid 2097 and name HB2 or resid 2103 and name HB3 or resid 2115 and name HB3 or resid 2118 and name HB3 or resid 2123 and name HG2 or resid 2125 and name HB3 or resid 2130 and name HB3 or resid 2132 and name HB2 or resid 2138 and name HB2 ) 2.7 0.9 0.9 volume=1.021 peak=299 ppm1=8.544 ppm2=2.058 assign ( resid 2059 and name HE21 ) ( resid 2050 and name HB2 or resid 2059 and name HB2 or resid 2063 and name HG or resid 2100 and name HG or resid 2102 and name HB2 or resid 2106 and name HG ) 3.1 1.2 1.2 volume=0.402 peak=35 ppm1=7.416 ppm2=1.837 assign ( resid 2059 and name HE22 ) ( resid 2059 and name HG3 or resid 2081 and name HG2 or resid 2081 and name HG3 or resid 2116 and name HB3 or resid 2121 and name HB2 or resid 2122 and name HB2 or resid 2123 and name HB2 ) 3.1 1.2 1.2 volume=0.439 peak=37 ppm1=7.104 ppm2=2.350 assign ( resid 2092 and name H ) ( resid 2093 and name H or resid 2120 and name H ) 2.5 0.8 0.8 volume=1.575 peak=153 ppm1=7.821 ppm2=7.512 assign ( resid 2062 and name H ) ( resid 2056 and name HD2 or resid 2056 and name HD3 or resid 2062 and name HA or resid 2065 and name HA or resid 2074 and name HA or resid 2082 and name HB3 or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HA or resid 2087 and name HB or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2102 and name HA or resid 2115 and name HD3 or resid 2130 and name HA or resid 2135 and name HA ) 2.6 0.8 0.8 volume=1.134 peak=61 ppm1=8.395 ppm2=3.992 assign ( resid 2118 and name H ) ( resid 2061 and name H or resid 2082 and name H or resid 2119 and name H or resid 2136 and name H ) 3.0 1.1 1.1 volume=0.469 peak=249 ppm1=7.367 ppm2=8.122 assign ( resid 2083 and name H ) ( resid 2061 and name H or resid 2082 and name H or resid 2119 and name H ) 2.6 0.8 0.8 volume=1.271 peak=116 ppm1=7.605 ppm2=8.105 assign ( resid 2135 and name H ) ( resid 2062 and name HG2# or resid 2079 and name HG2# or resid 2114 and name HD1# or resid 2117 and name HG2# or resid 2132 and name HB3 or resid 2134 and name HG2# or resid 2135 and name HG3 or resid 2135 and name HG2 ) 2.3 0.6 0.6 volume=2.669 peak=109 ppm1=7.912 ppm2=1.203 assign ( resid 2121 and name H ) ( resid 2061 and name HE21 or resid 2093 and name H or resid 2101 and name H or resid 2120 and name H ) 2.3 0.7 0.7 volume=2.406 peak=263 ppm1=8.010 ppm2=7.518 assign ( resid 2059 and name HE21 ) ( resid 2059 and name HG2 or resid 2089 and name HB3 or resid 2091 and name HB3 or resid 2091 and name HB2 or resid 2109 and name HB2 or resid 2131 and name HB2 ) 3.1 1.2 1.2 volume=0.435 peak=38 ppm1=7.414 ppm2=2.852 assign ( resid 2099 and name H ) ( resid 2061 and name HE21 or resid 2087 and name H or resid 2101 and name H or resid 2137 and name H ) 3.4 1.4 1.4 volume=0.231 peak=208 ppm1=8.999 ppm2=7.556 assign ( resid 2108 and name H ) ( resid 2058 and name HA or resid 2070 and name HA or resid 2081 and name HA or resid 2089 and name HA or resid 2096 and name HA or resid 2100 and name HA or resid 2101 and name HA or resid 2106 and name HA or resid 2107 and name HA or resid 2110 and name HB or resid 2127 and name HA ) 2.6 0.9 0.9 volume=1.041 peak=236 ppm1=8.003 ppm2=4.171 assign ( resid 2057 and name HE22 or resid 2058 and name HE21 or resid 2061 and name HE22 ) ( resid 2049 and name HG3 or resid 2056 and name HB3 or resid 2057 and name HG3 or resid 2057 and name HG2 or resid 2058 and name HG2 or resid 2058 and name HG3 or resid 2058 and name HB3 or resid 2061 and name HG2 or resid 2115 and name HB2 ) 2.2 0.6 0.6 volume=3.091 peak=19 ppm1=6.971 ppm2=2.469 assign ( resid 2061 and name H ) ( resid 2061 and name HA or resid 2063 and name HA or resid 2076 and name HA3 or resid 2081 and name HA or resid 2100 and name HA or resid 2101 and name HA or resid 2105 and name HA or resid 2111 and name HA3 or resid 2116 and name HA or resid 2125 and name HA or resid 2127 and name HA ) 2.4 0.7 0.7 volume=1.908 peak=53 ppm1=8.117 ppm2=4.122 assign ( resid 2059 and name H ) ( resid 2047 and name HB2 or resid 2047 and name HB3 or resid 2053 and name HA3 or resid 2059 and name HA or resid 2085 and name HD2 or resid 2111 and name HA2 or resid 2119 and name HA or resid 2133 and name HA ) 2.8 1.0 1.0 volume=0.683 peak=26 ppm1=9.121 ppm2=3.834 assign ( resid 2090 and name H ) ( resid 2054 and name HB2 or resid 2069 and name HB# or resid 2088 and name HB# or resid 2090 and name HG2 or resid 2118 and name HG ) 2.3 0.7 0.7 volume=2.298 peak=125 ppm1=9.234 ppm2=1.534 assign ( resid 2119 and name H ) ( resid 2061 and name HE21 or resid 2093 and name H or resid 2101 and name H or resid 2120 and name H ) 2.7 0.9 0.9 volume=0.940 peak=256 ppm1=8.121 ppm2=7.524 assign ( resid 2119 and name H ) ( resid 2053 and name HA3 or resid 2059 and name HA or resid 2082 and name HB2 or resid 2085 and name HD2 or resid 2116 and name HD3 or resid 2119 and name HA or resid 2133 and name HA or resid 2139 and name HB2 or resid 2139 and name HB3 ) 2.9 1.1 1.1 volume=0.578 peak=255 ppm1=8.121 ppm2=3.861 assign ( resid 2095 and name H ) ( resid 2061 and name HE21 or resid 2083 and name H or resid 2086 and name H or resid 2087 and name H or resid 2094 and name H or resid 2101 and name H or resid 2137 and name H or resid 2138 and name HE21 ) 3.5 1.5 1.5 volume=0.207 peak=172 ppm1=8.057 ppm2=7.582 assign ( resid 2061 and name H ) ( resid 2050 and name HB3 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2060 and name HG2 or resid 2063 and name HB3 or resid 2066 and name HB2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2106 and name HB3 or resid 2123 and name HG3 ) 2.6 0.8 0.8 volume=1.246 peak=51 ppm1=8.117 ppm2=1.971 assign ( resid 2051 and name H ) ( resid 2047 and name HA or resid 2050 and name HA or resid 2051 and name HA or resid 2052 and name HA or resid 2088 and name HA or resid 2093 and name HA2 or resid 2140 and name HA ) 2.4 0.7 0.7 volume=1.670 peak=1 ppm1=8.746 ppm2=4.496 assign ( resid 2090 and name H ) ( resid 2083 and name HD1# or resid 2092 and name HD1# or resid 2094 and name HG2# or resid 2094 and name HD1# or resid 2112 and name HD1# or resid 2119 and name HG13 ) 3.3 1.3 1.3 volume=0.284 peak=126 ppm1=9.233 ppm2=0.751 assign ( resid 2100 and name H ) ( resid 2099 and name H ) 2.6 0.8 0.8 volume=1.234 peak=134 ppm1=7.228 ppm2=9.004 assign ( resid 2059 and name HE22 ) ( resid 2059 and name HG2 or resid 2089 and name HB3 or resid 2091 and name HB3 or resid 2091 and name HB2 or resid 2109 and name HB2 or resid 2131 and name HB2 ) 3.2 1.3 1.3 volume=0.347 peak=39 ppm1=7.103 ppm2=2.848 assign ( resid 2093 and name H ) ( resid 2047 and name HA or resid 2050 and name HA or resid 2052 and name HA or resid 2055 and name HB3 or resid 2086 and name HA or resid 2088 and name HA or resid 2093 and name HA2 or resid 2097 and name HA or resid 2124 and name HA or resid 2124 and name HB or resid 2139 and name HA or resid 2140 and name HA ) 2.4 0.7 0.7 volume=1.871 peak=159 ppm1=7.495 ppm2=4.464 assign ( resid 2137 and name H ) ( resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2066 and name HG or resid 2069 and name HB# or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2118 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 3.1 1.2 1.2 volume=0.435 peak=317 ppm1=7.588 ppm2=1.582 assign ( resid 2102 and name H ) ( resid 2056 and name HD2 or resid 2062 and name HA or resid 2065 and name HA or resid 2074 and name HA or resid 2082 and name HB3 or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HA or resid 2087 and name HB or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2102 and name HA or resid 2115 and name HD3 or resid 2130 and name HA or resid 2135 and name HA ) 2.6 0.9 0.9 volume=1.057 peak=228 ppm1=8.593 ppm2=3.994 assign ( resid 2093 and name H ) ( resid 2050 and name HG2 or resid 2051 and name HB3 or resid 2092 and name HG or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2118 and name HB2 or resid 2127 and name HB# ) 2.8 1.0 1.0 volume=0.782 peak=163 ppm1=7.495 ppm2=1.719 assign ( resid 2119 and name H ) ( resid 2049 and name HB3 or resid 2058 and name HB2 or resid 2080 and name HB3 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG3 or resid 2085 and name HG2 or resid 2097 and name HB2 or resid 2103 and name HB3 or resid 2115 and name HB3 or resid 2116 and name HB2 or resid 2118 and name HB3 or resid 2123 and name HG2 or resid 2125 and name HB3 or resid 2130 and name HB3 or resid 2132 and name HB2 or resid 2138 and name HB2 ) 3.0 1.1 1.1 volume=0.516 peak=250 ppm1=8.121 ppm2=2.060 assign ( resid 2132 and name H ) ( resid 2058 and name H or resid 2063 and name H or resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2130 and name H or resid 2131 and name H or resid 2135 and name H ) 2.6 0.9 0.9 volume=1.051 peak=296 ppm1=8.604 ppm2=7.920 assign ( resid 2063 and name H ) ( resid 2062 and name H or resid 2072 and name H ) 2.8 1.0 1.0 volume=0.760 peak=69 ppm1=7.939 ppm2=8.389 assign ( resid 2063 and name H ) ( resid 2063 and name HB2 or resid 2065 and name HG2# or resid 2073 and name HG2# or resid 2102 and name HG or resid 2105 and name HG2# or resid 2107 and name HG2# ) 2.8 1.0 1.0 volume=0.803 peak=327 ppm1=7.940 ppm2=1.304 # Restraints file 3: run61_41_3.tbl assign ( resid 2089 and name HZ ) ( resid 2089 and name HE# ) 2.5 0.8 0.8 volume=0.873 peak=918 ppm1=6.914 ppm2=7.642 assign ( resid 2050 and name HD3 or resid 2050 and name HD2 ) ( resid 2050 and name H ) 3.4 1.5 1.5 volume=0.130 peak=451 ppm1=3.220 ppm2=8.721 assign ( resid 2090 and name HB2 ) ( resid 2091 and name H ) 2.7 0.9 0.9 volume=0.585 peak=472 ppm1=1.969 ppm2=7.195 assign ( resid 2124 and name HG2# ) ( resid 2088 and name H ) 2.6 0.8 0.8 volume=0.709 peak=398 ppm1=1.017 ppm2=8.792 assign ( resid 2101 and name HA ) ( resid 2101 and name H ) 2.4 0.7 0.7 volume=1.037 peak=259 ppm1=4.147 ppm2=7.550 assign ( resid 2114 and name HB3 ) ( resid 2114 and name H ) 3.4 1.4 1.4 volume=0.143 peak=879 ppm1=1.411 ppm2=7.904 assign ( resid 2130 and name HG2 ) ( resid 2126 and name HA ) 3.3 1.4 1.4 volume=0.154 peak=236 ppm1=2.164 ppm2=4.263 assign ( resid 2118 and name HD2# ) ( resid 2115 and name HG2 ) 2.8 1.0 1.0 volume=0.409 peak=1030 ppm1=1.102 ppm2=2.221 assign ( resid 2068 and name HA ) ( resid 2068 and name HB# ) 2.0 0.5 0.5 volume=3.213 peak=12 ppm1=4.043 ppm2=1.660 assign ( resid 2133 and name HD2 ) ( resid 2137 and name HG2# ) 2.7 0.9 0.9 volume=0.596 peak=680 ppm1=6.651 ppm2=0.992 assign ( resid 2110 and name HB ) ( resid 2112 and name HB3 ) 3.1 1.2 1.2 volume=0.220 peak=346 ppm1=4.155 ppm2=1.591 assign ( resid 2102 and name HD2# ) ( resid 2067 and name HA ) 3.7 1.7 1.7 volume=0.086 peak=983 ppm1=0.489 ppm2=3.529 assign ( resid 2120 and name HE# ) ( resid 2120 and name HA ) 2.9 1.1 1.1 volume=0.334 peak=895 ppm1=7.296 ppm2=4.410 assign ( resid 2063 and name HG or resid 2106 and name HG ) ( resid 2060 and name HA or resid 2067 and name HA ) 3.1 1.2 1.2 volume=0.246 peak=800 ppm1=1.826 ppm2=3.534 assign ( resid 2125 and name HD2 ) ( resid 2083 and name HG2# ) 3.0 1.1 1.1 volume=0.302 peak=666 ppm1=2.560 ppm2=0.786 assign ( resid 2059 and name HB3 ) ( resid 2056 and name HA ) 3.1 1.2 1.2 volume=0.219 peak=189 ppm1=2.599 ppm2=4.376 assign ( resid 2074 and name HB ) ( resid 2074 and name H ) 2.5 0.8 0.8 volume=0.924 peak=501 ppm1=2.212 ppm2=7.910 assign ( resid 2126 and name HB2 ) ( resid 2126 and name HA ) 2.7 0.9 0.9 volume=0.581 peak=699 ppm1=2.889 ppm2=4.278 assign ( resid 2109 and name HB2 ) ( resid 2106 and name HA ) 2.9 1.0 1.0 volume=0.391 peak=116 ppm1=2.852 ppm2=4.179 assign ( resid 2108 and name HD2 ) ( resid 2108 and name HB2 or resid 2108 and name HB3 ) 2.6 0.9 0.9 volume=0.622 peak=1000 ppm1=7.030 ppm2=3.324 assign ( resid 2112 and name HD1# ) ( resid 2136 and name H ) 2.9 1.0 1.0 volume=0.374 peak=789 ppm1=0.746 ppm2=8.139 assign ( resid 2089 and name HE# ) ( resid 2071 and name HG2# ) 2.7 0.9 0.9 volume=0.563 peak=927 ppm1=7.645 ppm2=1.261 assign ( resid 2131 and name HE1 ) ( resid 2135 and name HD2 ) 3.3 1.3 1.3 volume=0.172 peak=711 ppm1=7.745 ppm2=2.909 assign ( resid 2126 and name HA ) ( resid 2126 and name H ) 2.5 0.8 0.8 volume=0.850 peak=402 ppm1=4.285 ppm2=9.073 assign ( resid 2060 and name HG2 ) ( resid 2060 and name H ) 2.5 0.8 0.8 volume=0.920 peak=207 ppm1=1.949 ppm2=7.981 assign ( resid 2092 and name HB2 ) ( resid 2089 and name HA ) 2.9 1.0 1.0 volume=0.377 peak=823 ppm1=2.122 ppm2=4.181 assign ( resid 2120 and name HA ) ( resid 2120 and name HZ or resid 2120 and name HD# ) 2.5 0.8 0.8 volume=0.936 peak=883 ppm1=4.412 ppm2=7.179 assign ( resid 2135 and name HD2 ) ( resid 2135 and name HA ) 2.6 0.8 0.8 volume=0.698 peak=466 ppm1=2.916 ppm2=3.967 assign ( resid 2089 and name HA ) ( resid 2089 and name HB3 ) 2.7 0.9 0.9 volume=0.595 peak=1021 ppm1=4.183 ppm2=2.845 assign ( resid 2057 and name HB3 ) ( resid 2057 and name HG3 or resid 2057 and name HG2 ) 2.0 0.5 0.5 volume=3.245 peak=165 ppm1=2.129 ppm2=2.464 assign ( resid 2070 and name HA ) ( resid 2070 and name HB# ) 1.9 0.5 0.5 volume=3.926 peak=29 ppm1=4.177 ppm2=1.449 assign ( resid 2097 and name HA ) ( resid 2100 and name HB2 or resid 2100 and name HB3 ) 2.6 0.8 0.8 volume=0.745 peak=394 ppm1=4.434 ppm2=1.889 assign ( resid 2063 and name HD1# ) ( resid 2133 and name H ) 2.4 0.7 0.7 volume=1.036 peak=845 ppm1=0.879 ppm2=8.557 assign ( resid 2049 and name HE# ) ( resid 2062 and name HG2# or resid 2110 and name HG2# ) 1.9 0.4 0.4 volume=4.974 peak=999 ppm1=2.024 ppm2=1.216 assign ( resid 2101 and name HB3 or resid 2101 and name HB2 ) ( resid 2101 and name H ) 2.2 0.6 0.6 volume=2.007 peak=246 ppm1=2.104 ppm2=7.550 assign ( resid 2081 and name HB3 or resid 2081 and name HB2 ) ( resid 2081 and name HA ) 2.2 0.6 0.6 volume=1.896 peak=1011 ppm1=2.033 ppm2=4.138 assign ( resid 2098 and name HG2# ) ( resid 2095 and name H ) 2.8 1.0 1.0 volume=0.399 peak=314 ppm1=1.394 ppm2=8.053 assign ( resid 2054 and name HD1# ) ( resid 2054 and name HA ) 2.7 0.9 0.9 volume=0.509 peak=861 ppm1=0.876 ppm2=4.660 assign ( resid 2070 and name HA ) ( resid 2071 and name H or resid 2073 and name H ) 2.6 0.9 0.9 volume=0.651 peak=24 ppm1=4.176 ppm2=8.196 assign ( resid 2102 and name HB3 ) ( resid 2102 and name H ) 2.5 0.8 0.8 volume=0.780 peak=805 ppm1=1.473 ppm2=8.595 assign ( resid 2056 and name HD2 ) ( resid 2055 and name H ) 3.8 1.8 1.8 volume=0.073 peak=570 ppm1=4.017 ppm2=9.052 assign ( resid 2109 and name HB3 ) ( resid 2110 and name HG2# ) 2.9 1.0 1.0 volume=0.361 peak=120 ppm1=2.697 ppm2=1.264 assign ( resid 2081 and name HB3 ) ( resid 2081 and name H ) 2.7 0.9 0.9 volume=0.519 peak=258 ppm1=2.024 ppm2=9.071 assign ( resid 2075 and name HD1# ) ( resid 2075 and name H ) 2.5 0.8 0.8 volume=0.784 peak=832 ppm1=0.795 ppm2=7.679 assign ( resid 2129 and name HG2# ) ( resid 2129 and name HA ) 2.0 0.5 0.5 volume=2.856 peak=407 ppm1=1.098 ppm2=4.413 assign ( resid 2057 and name HB3 ) ( resid 2057 and name H ) 2.7 0.9 0.9 volume=0.527 peak=163 ppm1=2.122 ppm2=8.528 assign ( resid 2102 and name HG ) ( resid 2119 and name HD1# ) 2.6 0.9 0.9 volume=0.664 peak=811 ppm1=1.310 ppm2=0.210 assign ( resid 2138 and name HB2 ) ( resid 2138 and name HA ) 2.2 0.6 0.6 volume=1.660 peak=243 ppm1=2.067 ppm2=4.410 assign ( resid 2108 and name HD2 ) ( resid 2108 and name HA ) 3.1 1.2 1.2 volume=0.253 peak=730 ppm1=7.030 ppm2=4.383 assign ( resid 2078 and name HA ) ( resid 2072 and name HB# ) 2.8 1.0 1.0 volume=0.405 peak=739 ppm1=4.551 ppm2=1.405 assign ( resid 2054 and name HB2 ) ( resid 2055 and name H ) 3.2 1.3 1.3 volume=0.201 peak=850 ppm1=1.555 ppm2=9.063 assign ( resid 2128 and name HD1# ) ( resid 2089 and name HZ ) 2.3 0.7 0.7 volume=1.439 peak=758 ppm1=1.009 ppm2=6.916 assign ( resid 2088 and name HB# ) ( resid 2091 and name H ) 2.1 0.5 0.5 volume=2.478 peak=62 ppm1=1.544 ppm2=7.194 assign ( resid 2083 and name HB ) ( resid 2083 and name H ) 2.5 0.8 0.8 volume=0.820 peak=527 ppm1=2.199 ppm2=7.605 assign ( resid 2057 and name HB2 ) ( resid 2057 and name HG3 or resid 2057 and name HG2 ) 2.1 0.5 0.5 volume=2.793 peak=166 ppm1=1.992 ppm2=2.458 assign ( resid 2086 and name HA ) ( resid 2126 and name H ) 3.2 1.3 1.3 volume=0.181 peak=52 ppm1=4.463 ppm2=9.072 assign ( resid 2113 and name HB2 ) ( resid 2114 and name H ) 3.0 1.1 1.1 volume=0.313 peak=154 ppm1=2.692 ppm2=7.910 assign ( resid 2056 and name HA ) ( resid 2133 and name HE1 ) 3.1 1.2 1.2 volume=0.251 peak=556 ppm1=4.374 ppm2=7.746 assign ( resid 2071 and name HB ) ( resid 2074 and name HG1# ) 2.5 0.8 0.8 volume=0.890 peak=363 ppm1=3.689 ppm2=1.057 assign ( resid 2058 and name HB2 ) ( resid 2055 and name H ) 2.9 1.1 1.1 volume=0.341 peak=180 ppm1=2.088 ppm2=9.061 assign ( resid 2060 and name HG2 ) ( resid 2057 and name HA ) 2.8 1.0 1.0 volume=0.418 peak=216 ppm1=1.948 ppm2=4.086 assign ( resid 2105 and name HB ) ( resid 2105 and name H ) 2.3 0.7 0.7 volume=1.271 peak=327 ppm1=4.312 ppm2=8.543 assign ( resid 2075 and name HB3 ) ( resid 2075 and name H ) 2.9 1.0 1.0 volume=0.383 peak=828 ppm1=1.378 ppm2=7.683 assign ( resid 2104 and name HB2 ) ( resid 2104 and name HB3 ) 2.2 0.6 0.6 volume=2.050 peak=83 ppm1=3.084 ppm2=2.893 assign ( resid 2119 and name HG12 ) ( resid 2119 and name HD1# ) 2.4 0.7 0.7 volume=1.224 peak=517 ppm1=1.107 ppm2=0.215 assign ( resid 2048 and name HD2 ) ( resid 2048 and name HA ) 3.0 1.2 1.2 volume=0.264 peak=949 ppm1=6.947 ppm2=4.743 assign ( resid 2081 and name HB3 or resid 2081 and name HB2 ) ( resid 2081 and name HA ) 2.2 0.6 0.6 volume=1.950 peak=1010 ppm1=2.056 ppm2=4.138 assign ( resid 2058 and name HB3 ) ( resid 2058 and name H ) 2.8 1.0 1.0 volume=0.423 peak=177 ppm1=2.452 ppm2=7.937 assign ( resid 2054 and name HB3 ) ( resid 2054 and name H ) 2.7 0.9 0.9 volume=0.487 peak=848 ppm1=1.876 ppm2=7.409 assign ( resid 2107 and name HA ) ( resid 2109 and name H or resid 2111 and name H ) 2.9 1.1 1.1 volume=0.331 peak=381 ppm1=4.199 ppm2=8.245 assign ( resid 2116 and name HB3 ) ( resid 2116 and name HD3 ) 2.8 1.0 1.0 volume=0.414 peak=669 ppm1=2.357 ppm2=3.888 assign ( resid 2054 and name HB3 ) ( resid 2055 and name H ) 3.3 1.4 1.4 volume=0.154 peak=851 ppm1=1.878 ppm2=9.067 assign ( resid 2088 and name HB# ) ( resid 2090 and name H ) 2.3 0.7 0.7 volume=1.449 peak=60 ppm1=1.544 ppm2=9.234 assign ( resid 2101 and name HG3 ) ( resid 2100 and name H ) 3.3 1.4 1.4 volume=0.149 peak=274 ppm1=2.275 ppm2=7.234 assign ( resid 2136 and name HA ) ( resid 2112 and name HD2# ) 2.7 0.9 0.9 volume=0.496 peak=749 ppm1=4.239 ppm2=0.681 assign ( resid 2085 and name HB2 ) ( resid 2126 and name HB3 or resid 2126 and name HB2 ) 2.6 0.8 0.8 volume=0.714 peak=616 ppm1=1.972 ppm2=2.917 assign ( resid 2081 and name HB2 ) ( resid 2081 and name H ) 2.7 0.9 0.9 volume=0.560 peak=257 ppm1=2.053 ppm2=9.071 assign ( resid 2089 and name HZ ) ( resid 2125 and name HB2 or resid 2128 and name HB3 ) 3.2 1.2 1.2 volume=0.213 peak=933 ppm1=6.914 ppm2=2.263 assign ( resid 2054 and name HG ) ( resid 2055 and name H ) 3.5 1.6 1.6 volume=0.107 peak=859 ppm1=1.617 ppm2=9.058 assign ( resid 2080 and name HB2 ) ( resid 2069 and name H ) 3.3 1.4 1.4 volume=0.155 peak=589 ppm1=2.160 ppm2=8.637 assign ( resid 2077 and name HD2 ) ( resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# ) 2.7 0.9 0.9 volume=0.510 peak=951 ppm1=6.882 ppm2=0.791 assign ( resid 2125 and name HD2 ) ( resid 2124 and name HG2# ) 2.9 1.1 1.1 volume=0.320 peak=665 ppm1=2.560 ppm2=1.019 assign ( resid 2077 and name HB3 or resid 2077 and name HB2 ) ( resid 2077 and name HD2 ) 2.9 1.1 1.1 volume=0.320 peak=974 ppm1=3.110 ppm2=6.885 assign ( resid 2101 and name HB3 or resid 2101 and name HB2 ) ( resid 2098 and name HG2# ) 2.6 0.9 0.9 volume=0.621 peak=266 ppm1=2.105 ppm2=1.395 assign ( resid 2113 and name HA ) ( resid 2112 and name HA ) 3.2 1.3 1.3 volume=0.190 peak=145 ppm1=4.638 ppm2=4.309 assign ( resid 2054 and name HG ) ( resid 2054 and name HA ) 2.9 1.0 1.0 volume=0.379 peak=838 ppm1=1.622 ppm2=4.672 assign ( resid 2100 and name HG ) ( resid 2101 and name H ) 2.9 1.0 1.0 volume=0.370 peak=799 ppm1=1.812 ppm2=7.551 assign ( resid 2128 and name HD1# ) ( resid 2119 and name HD1# ) 2.2 0.6 0.6 volume=1.963 peak=766 ppm1=1.009 ppm2=0.208 assign ( resid 2129 and name HB ) ( resid 2129 and name HA ) 3.0 1.1 1.1 volume=0.310 peak=979 ppm1=3.546 ppm2=4.417 assign ( resid 2087 and name HG2# ) ( resid 2092 and name HD1# ) 2.2 0.6 0.6 volume=1.893 peak=301 ppm1=1.366 ppm2=0.787 assign ( resid 2073 and name HA ) ( resid 2073 and name HG2# ) 2.0 0.5 0.5 volume=2.861 peak=372 ppm1=3.932 ppm2=1.272 assign ( resid 2089 and name HD# ) ( resid 2089 and name HA ) 2.6 0.9 0.9 volume=0.636 peak=916 ppm1=7.157 ppm2=4.184 assign ( resid 2125 and name HD3 ) ( resid 2124 and name HG2# ) 2.9 1.1 1.1 volume=0.347 peak=661 ppm1=3.766 ppm2=1.021 assign ( resid 2135 and name HD3 ) ( resid 2135 and name HA ) 2.5 0.8 0.8 volume=0.971 peak=465 ppm1=3.066 ppm2=3.968 assign ( resid 2112 and name HA ) ( resid 2113 and name H ) 2.4 0.7 0.7 volume=1.147 peak=142 ppm1=4.290 ppm2=8.572 assign ( resid 2138 and name HG3 or resid 2138 and name HG2 ) ( resid 2137 and name H or resid 2138 and name HE21 ) 2.3 0.7 0.7 volume=1.284 peak=241 ppm1=2.423 ppm2=7.592 assign ( resid 2126 and name HA ) ( resid 2085 and name HB3 ) 3.0 1.1 1.1 volume=0.291 peak=411 ppm1=4.284 ppm2=2.422 assign ( resid 2113 and name HA ) ( resid 2113 and name HB3 ) 2.3 0.7 0.7 volume=1.480 peak=146 ppm1=4.637 ppm2=2.542 assign ( resid 2119 and name HD1# ) ( resid 2094 and name HB or resid 2118 and name HB2 ) 2.4 0.8 0.8 volume=0.973 peak=520 ppm1=0.211 ppm2=1.724 assign ( resid 2129 and name HB ) ( resid 2130 and name H ) 3.1 1.2 1.2 volume=0.219 peak=978 ppm1=3.548 ppm2=7.896 assign ( resid 2049 and name HB3 ) ( resid 2049 and name HA ) 2.5 0.8 0.8 volume=0.793 peak=486 ppm1=2.081 ppm2=4.339 assign ( resid 2087 and name HB ) ( resid 2087 and name H ) 2.3 0.7 0.7 volume=1.381 peak=290 ppm1=3.984 ppm2=7.564 assign ( resid 2109 and name HA ) ( resid 2108 and name H or resid 2110 and name H ) 2.8 1.0 1.0 volume=0.403 peak=102 ppm1=4.609 ppm2=8.013 assign ( resid 2055 and name HB2 ) ( resid 2055 and name HA ) 2.8 1.0 1.0 volume=0.423 peak=424 ppm1=4.043 ppm2=4.755 assign ( resid 2055 and name HB2 ) ( resid 2058 and name H ) 3.7 1.7 1.7 volume=0.088 peak=1036 ppm1=4.047 ppm2=7.937 assign ( resid 2071 and name HB ) ( resid 2072 and name H ) 3.0 1.1 1.1 volume=0.311 peak=358 ppm1=3.689 ppm2=8.389 assign ( resid 2112 and name HB3 ) ( resid 2113 and name H ) 3.4 1.4 1.4 volume=0.135 peak=771 ppm1=1.590 ppm2=8.573 assign ( resid 2110 and name HB ) ( resid 2110 and name HA ) 2.2 0.6 0.6 volume=1.849 peak=335 ppm1=4.154 ppm2=4.544 assign ( resid 2079 and name HB ) ( resid 2081 and name HG2 or resid 2081 and name HG3 ) 3.3 1.3 1.3 volume=0.175 peak=970 ppm1=4.378 ppm2=2.322 assign ( resid 2138 and name HB2 ) ( resid 2138 and name H ) 2.5 0.8 0.8 volume=0.802 peak=245 ppm1=2.068 ppm2=7.748 assign ( resid 2072 and name HB# ) ( resid 2075 and name H or resid 2077 and name HE1 ) 2.6 0.8 0.8 volume=0.682 peak=48 ppm1=1.403 ppm2=7.684 assign ( resid 2089 and name HD# ) ( resid 2089 and name HE# ) 2.6 0.8 0.8 volume=0.701 peak=917 ppm1=7.155 ppm2=7.640 assign ( resid 2120 and name HA ) ( resid 2120 and name HE# ) 3.1 1.2 1.2 volume=0.234 peak=884 ppm1=4.410 ppm2=7.299 assign ( resid 2079 and name HB ) ( resid 2080 and name HD3 ) 2.5 0.8 0.8 volume=0.846 peak=419 ppm1=4.380 ppm2=3.947 assign ( resid 2071 and name HG2# ) ( resid 2072 and name H ) 2.6 0.9 0.9 volume=0.648 peak=285 ppm1=1.258 ppm2=8.387 assign ( resid 2126 and name HB3 ) ( resid 2126 and name HA ) 2.6 0.9 0.9 volume=0.608 peak=698 ppm1=2.943 ppm2=4.277 assign ( resid 2104 and name HB2 ) ( resid 2105 and name H ) 3.0 1.1 1.1 volume=0.280 peak=94 ppm1=3.084 ppm2=8.542 assign ( resid 2065 and name HA ) ( resid 2068 and name HB# ) 2.2 0.6 0.6 volume=1.745 peak=282 ppm1=4.015 ppm2=1.657 assign ( resid 2089 and name HB3 ) ( resid 2089 and name H ) 3.2 1.3 1.3 volume=0.207 peak=123 ppm1=2.852 ppm2=8.652 assign ( resid 2089 and name HB2 ) ( resid 2094 and name HB ) 2.8 1.0 1.0 volume=0.456 peak=907 ppm1=2.772 ppm2=1.728 assign ( resid 2090 and name HB3 ) ( resid 2090 and name HE2 or resid 2090 and name HE3 ) 3.0 1.1 1.1 volume=0.290 peak=476 ppm1=1.780 ppm2=3.050 assign ( resid 2108 and name HB3 ) ( resid 2105 and name HG2# or resid 2107 and name HG2# ) 3.0 1.1 1.1 volume=0.296 peak=726 ppm1=3.344 ppm2=1.319 assign ( resid 2098 and name HG2# ) ( resid 2098 and name H ) 2.3 0.6 0.6 volume=1.561 peak=310 ppm1=1.393 ppm2=8.914 assign ( resid 2085 and name HB2 ) ( resid 2086 and name H ) 2.8 1.0 1.0 volume=0.453 peak=613 ppm1=1.967 ppm2=7.607 assign ( resid 2080 and name HG3 ) ( resid 2069 and name H ) 3.6 1.6 1.6 volume=0.092 peak=1026 ppm1=2.144 ppm2=8.641 assign ( resid 2136 and name HD1# ) ( resid 2136 and name H ) 2.6 0.9 0.9 volume=0.659 peak=751 ppm1=0.873 ppm2=8.139 assign ( resid 2071 and name HG2# ) ( resid 2071 and name HB or resid 2072 and name HA ) 2.1 0.5 0.5 volume=2.676 peak=945 ppm1=1.258 ppm2=3.690 assign ( resid 2058 and name HG2 or resid 2058 and name HG3 ) ( resid 2055 and name H ) 3.0 1.1 1.1 volume=0.300 peak=172 ppm1=2.482 ppm2=9.063 assign ( resid 2085 and name HB3 ) ( resid 2126 and name H ) 2.9 1.0 1.0 volume=0.372 peak=611 ppm1=2.427 ppm2=9.074 assign ( resid 2108 and name HB2 ) ( resid 2108 and name H ) 2.4 0.7 0.7 volume=1.202 peak=719 ppm1=3.295 ppm2=8.007 assign ( resid 2049 and name HG3 ) ( resid 2050 and name H ) 3.6 1.7 1.7 volume=0.091 peak=964 ppm1=2.500 ppm2=8.719 assign ( resid 2080 and name HA ) ( resid 2082 and name H ) 3.6 1.7 1.7 volume=0.089 peak=579 ppm1=4.269 ppm2=8.096 assign ( resid 2080 and name HD3 ) ( resid 2080 and name HA ) 3.2 1.2 1.2 volume=0.214 peak=600 ppm1=3.944 ppm2=4.263 assign ( resid 2083 and name HA ) ( resid 2084 and name H ) 2.4 0.7 0.7 volume=1.169 peak=438 ppm1=4.041 ppm2=8.331 assign ( resid 2134 and name HA ) ( resid 2134 and name HG2# ) 2.1 0.5 0.5 volume=2.787 peak=415 ppm1=3.707 ppm2=1.221 assign ( resid 2058 and name HG2 or resid 2058 and name HG3 ) ( resid 2054 and name HB2 or resid 2054 and name HG ) 2.9 1.1 1.1 volume=0.333 peak=176 ppm1=2.482 ppm2=1.569 assign ( resid 2123 and name HA ) ( resid 2124 and name H ) 2.8 1.0 1.0 volume=0.414 peak=646 ppm1=5.187 ppm2=7.456 assign ( resid 2094 and name HG2# ) ( resid 2099 and name H ) 2.4 0.7 0.7 volume=1.096 peak=546 ppm1=0.713 ppm2=8.998 assign ( resid 2088 and name HB# ) ( resid 2088 and name H ) 1.9 0.5 0.5 volume=4.168 peak=63 ppm1=1.545 ppm2=8.788 assign ( resid 2101 and name HG3 ) ( resid 2100 and name HA or resid 2101 and name HA ) 2.4 0.7 0.7 volume=1.158 peak=269 ppm1=2.277 ppm2=4.137 assign ( resid 2121 and name HA ) ( resid 2121 and name HB3 ) 2.3 0.7 0.7 volume=1.320 peak=15 ppm1=4.055 ppm2=1.904 assign ( resid 2063 and name HG ) ( resid 2063 and name H ) 2.5 0.8 0.8 volume=0.849 peak=798 ppm1=1.827 ppm2=7.937 assign ( resid 2101 and name HA ) ( resid 2104 and name HB2 ) 2.5 0.8 0.8 volume=0.776 peak=263 ppm1=4.147 ppm2=3.086 assign ( resid 2050 and name HG2 ) ( resid 2050 and name HD3 or resid 2050 and name HD2 ) 2.1 0.6 0.6 volume=2.414 peak=448 ppm1=1.717 ppm2=3.217 assign ( resid 2127 and name HB# ) ( resid 2123 and name HD3 ) 2.8 1.0 1.0 volume=0.473 peak=67 ppm1=1.716 ppm2=3.416 assign ( resid 2072 and name HB# ) ( resid 2072 and name HA or resid 2080 and name HD2 ) 2.0 0.5 0.5 volume=3.797 peak=41 ppm1=1.403 ppm2=3.710 assign ( resid 2069 and name HA ) ( resid 2069 and name H ) 2.4 0.7 0.7 volume=1.115 peak=17 ppm1=4.082 ppm2=8.642 assign ( resid 2106 and name HG ) ( resid 2103 and name HA ) 3.2 1.3 1.3 volume=0.202 peak=819 ppm1=1.820 ppm2=3.704 assign ( resid 2130 and name HA ) ( resid 2133 and name HB3 ) 2.5 0.8 0.8 volume=0.794 peak=230 ppm1=3.996 ppm2=3.290 assign ( resid 2077 and name HD2 ) ( resid 2075 and name HA ) 3.5 1.6 1.6 volume=0.106 peak=957 ppm1=6.883 ppm2=4.305 assign ( resid 2104 and name HA ) ( resid 2104 and name H ) 2.6 0.8 0.8 volume=0.761 peak=98 ppm1=4.408 ppm2=8.884 assign ( resid 2089 and name HD# ) ( resid 2094 and name HG12 or resid 2094 and name HG13 ) 2.9 1.0 1.0 volume=0.364 peak=926 ppm1=7.157 ppm2=1.450 assign ( resid 2085 and name HD2 ) ( resid 2085 and name HD3 ) 2.1 0.6 0.6 volume=2.317 peak=625 ppm1=3.832 ppm2=4.069 assign ( resid 2060 and name HG3 ) ( resid 2061 and name H ) 2.9 1.0 1.0 volume=0.375 peak=205 ppm1=2.127 ppm2=8.113 assign ( resid 2052 and name HB3 or resid 2052 and name HB2 ) ( resid 2052 and name HD22 ) 3.4 1.4 1.4 volume=0.142 peak=135 ppm1=2.777 ppm2=7.822 assign ( resid 2138 and name HA ) ( resid 2138 and name HG3 or resid 2138 and name HG2 ) 2.2 0.6 0.6 volume=2.105 peak=82 ppm1=4.409 ppm2=2.423 assign ( resid 2098 and name HG2# ) ( resid 2074 and name H ) 3.3 1.3 1.3 volume=0.170 peak=315 ppm1=1.395 ppm2=7.909 assign ( resid 2061 and name HG3 ) ( resid 2061 and name HB2 or resid 2061 and name HB3 ) 2.1 0.5 0.5 volume=2.488 peak=225 ppm1=2.518 ppm2=2.167 assign ( resid 2056 and name HG3 ) ( resid 2055 and name HA ) 3.5 1.5 1.5 volume=0.114 peak=1034 ppm1=2.154 ppm2=4.740 assign ( resid 2112 and name HA ) ( resid 2112 and name H ) 2.7 0.9 0.9 volume=0.527 peak=768 ppm1=4.291 ppm2=7.667 assign ( resid 2080 and name HB3 ) ( resid 2069 and name H ) 3.3 1.4 1.4 volume=0.160 peak=590 ppm1=2.088 ppm2=8.637 assign ( resid 2128 and name HD2# ) ( resid 2131 and name HB2 ) 2.6 0.9 0.9 volume=0.649 peak=764 ppm1=1.052 ppm2=2.862 assign ( resid 2070 and name HB# ) ( resid 2070 and name H ) 1.9 0.5 0.5 volume=3.887 peak=23 ppm1=1.449 ppm2=8.566 assign ( resid 2126 and name HB2 ) ( resid 2127 and name H ) 2.9 1.1 1.1 volume=0.336 peak=693 ppm1=2.886 ppm2=8.435 assign ( resid 2113 and name HB3 ) ( resid 2113 and name H ) 2.5 0.8 0.8 volume=0.940 peak=151 ppm1=2.542 ppm2=8.571 assign ( resid 2121 and name HA ) ( resid 2121 and name HB2 ) 2.4 0.7 0.7 volume=1.000 peak=14 ppm1=4.055 ppm2=2.344 assign ( resid 2089 and name HZ ) ( resid 2128 and name HD2# or resid 2128 and name HD1# ) 2.5 0.8 0.8 volume=0.823 peak=931 ppm1=6.914 ppm2=1.017 assign ( resid 2126 and name HA ) ( resid 2126 and name HD2 ) 3.6 1.6 1.6 volume=0.103 peak=406 ppm1=4.280 ppm2=6.930 assign ( resid 2060 and name HG2 ) ( resid 2133 and name HE1 ) 3.5 1.5 1.5 volume=0.116 peak=210 ppm1=1.950 ppm2=7.741 assign ( resid 2090 and name HD3 or resid 2090 and name HD2 ) ( resid 2090 and name HA ) 2.7 0.9 0.9 volume=0.607 peak=480 ppm1=1.763 ppm2=4.317 assign ( resid 2109 and name HB2 ) ( resid 2109 and name HB3 ) 2.1 0.6 0.6 volume=2.167 peak=117 ppm1=2.849 ppm2=2.703 assign ( resid 2077 and name HA ) ( resid 2077 and name HB3 or resid 2077 and name HB2 ) 2.3 0.7 0.7 volume=1.487 peak=1029 ppm1=4.764 ppm2=3.112 assign ( resid 2109 and name HB3 ) ( resid 2109 and name HD22 ) 3.0 1.1 1.1 volume=0.273 peak=115 ppm1=2.697 ppm2=7.443 assign ( resid 2119 and name HD1# ) ( resid 2089 and name HD# ) 2.6 0.9 0.9 volume=0.659 peak=519 ppm1=0.211 ppm2=7.159 assign ( resid 2135 and name HD2 ) ( resid 2114 and name HD2# ) 2.9 1.1 1.1 volume=0.333 peak=468 ppm1=2.915 ppm2=0.905 assign ( resid 2115 and name HB2 ) ( resid 2117 and name H ) 2.8 1.0 1.0 volume=0.434 peak=634 ppm1=2.455 ppm2=6.819 assign ( resid 2112 and name HA ) ( resid 2112 and name HD2# or resid 2112 and name HD1# ) 2.1 0.6 0.6 volume=2.198 peak=777 ppm1=4.290 ppm2=0.674 assign ( resid 2074 and name HA ) ( resid 2098 and name HG2# ) 2.8 1.0 1.0 volume=0.422 peak=504 ppm1=4.004 ppm2=1.396 assign ( resid 2073 and name HB ) ( resid 2073 and name H ) 2.3 0.6 0.6 volume=1.539 peak=284 ppm1=4.357 ppm2=8.191 assign ( resid 2126 and name HB2 ) ( resid 2085 and name HB3 ) 2.9 1.1 1.1 volume=0.322 peak=701 ppm1=2.886 ppm2=2.425 assign ( resid 2119 and name HA ) ( resid 2122 and name H ) 3.0 1.1 1.1 volume=0.281 peak=524 ppm1=3.863 ppm2=7.324 assign ( resid 2130 and name HG3 ) ( resid 2130 and name HA ) 2.4 0.7 0.7 volume=0.992 peak=239 ppm1=2.232 ppm2=3.995 assign ( resid 2083 and name HG13 ) ( resid 2083 and name HB ) 2.5 0.8 0.8 volume=0.959 peak=531 ppm1=1.688 ppm2=2.195 assign ( resid 2103 and name HD3 ) ( resid 2103 and name HB2 or resid 2103 and name HB3 ) 2.7 0.9 0.9 volume=0.532 peak=458 ppm1=3.049 ppm2=2.123 assign ( resid 2120 and name HD# ) ( resid 2120 and name HB3 ) 2.7 0.9 0.9 volume=0.586 peak=893 ppm1=7.181 ppm2=3.212 assign ( resid 2089 and name HD# ) ( resid 2123 and name HA ) 3.0 1.2 1.2 volume=0.269 peak=920 ppm1=7.156 ppm2=5.186 assign ( resid 2049 and name HB3 ) ( resid 2110 and name HA ) 2.8 1.0 1.0 volume=0.414 peak=488 ppm1=2.081 ppm2=4.538 assign ( resid 2097 and name HD1# ) ( resid 2097 and name HA ) 1.9 0.5 0.5 volume=4.098 peak=822 ppm1=0.934 ppm2=4.430 assign ( resid 2112 and name HA ) ( resid 2113 and name HB2 ) 3.2 1.3 1.3 volume=0.200 peak=776 ppm1=4.290 ppm2=2.696 assign ( resid 2089 and name HB3 ) ( resid 2094 and name HB ) 2.9 1.0 1.0 volume=0.385 peak=906 ppm1=2.852 ppm2=1.730 assign ( resid 2060 and name HG3 ) ( resid 2133 and name HD2 ) 3.5 1.5 1.5 volume=0.118 peak=215 ppm1=2.126 ppm2=6.650 assign ( resid 2098 and name HG2# ) ( resid 2101 and name HG2 ) 2.9 1.0 1.0 volume=0.380 peak=326 ppm1=1.394 ppm2=2.416 assign ( resid 2089 and name HA ) ( resid 2092 and name HG or resid 2094 and name HB ) 2.6 0.9 0.9 volume=0.660 peak=901 ppm1=4.183 ppm2=1.722 assign ( resid 2106 and name HD1# ) ( resid 2067 and name HA ) 2.8 1.0 1.0 volume=0.439 peak=948 ppm1=0.811 ppm2=3.526 assign ( resid 2098 and name HA ) ( resid 2101 and name H ) 2.5 0.8 0.8 volume=0.959 peak=312 ppm1=4.082 ppm2=7.550 assign ( resid 2064 and name HA ) ( resid 2064 and name HB# ) 1.9 0.5 0.5 volume=4.167 peak=5 ppm1=4.210 ppm2=1.571 assign ( resid 2128 and name HD2# ) ( resid 2131 and name HD2 ) 2.5 0.8 0.8 volume=0.972 peak=762 ppm1=1.051 ppm2=6.056 assign ( resid 2108 and name HB3 ) ( resid 2109 and name H ) 2.6 0.9 0.9 volume=0.607 peak=720 ppm1=3.344 ppm2=8.243 assign ( resid 2089 and name HD# ) ( resid 2089 and name H ) 3.1 1.2 1.2 volume=0.242 peak=921 ppm1=7.157 ppm2=8.652 assign ( resid 2124 and name HA ) ( resid 2089 and name H ) 2.8 1.0 1.0 volume=0.449 peak=397 ppm1=4.444 ppm2=8.649 assign ( resid 2133 and name HD2 ) ( resid 2056 and name HA ) 4.1 2.1 2.1 volume=0.045 peak=1032 ppm1=6.650 ppm2=4.377 assign ( resid 2060 and name HB2 ) ( resid 2060 and name H ) 2.4 0.7 0.7 volume=1.171 peak=201 ppm1=1.963 ppm2=7.981 assign ( resid 2126 and name HA ) ( resid 2085 and name HB2 ) 2.9 1.0 1.0 volume=0.376 peak=412 ppm1=4.284 ppm2=1.987 assign ( resid 2114 and name HB2 ) ( resid 2114 and name H ) 3.2 1.2 1.2 volume=0.215 peak=878 ppm1=1.581 ppm2=7.911 assign ( resid 2085 and name HB3 ) ( resid 2126 and name HB3 or resid 2126 and name HB2 ) 2.7 0.9 0.9 volume=0.500 peak=617 ppm1=2.425 ppm2=2.927 assign ( resid 2115 and name HB3 ) ( resid 2118 and name H ) 3.2 1.3 1.3 volume=0.180 peak=636 ppm1=2.032 ppm2=7.366 assign ( resid 2052 and name HB3 or resid 2052 and name HB2 ) ( resid 2054 and name H or resid 2059 and name HE21 ) 3.6 1.6 1.6 volume=0.102 peak=136 ppm1=2.779 ppm2=7.412 assign ( resid 2085 and name HD3 ) ( resid 2086 and name H ) 3.1 1.2 1.2 volume=0.222 peak=620 ppm1=4.073 ppm2=7.607 assign ( resid 2055 and name HB3 ) ( resid 2058 and name H ) 3.7 1.7 1.7 volume=0.085 peak=1037 ppm1=4.445 ppm2=7.929 assign ( resid 2089 and name HA ) ( resid 2092 and name HD2# ) 3.0 1.1 1.1 volume=0.294 peak=904 ppm1=4.181 ppm2=0.923 assign ( resid 2056 and name HG2 ) ( resid 2057 and name H ) 3.6 1.6 1.6 volume=0.092 peak=563 ppm1=2.289 ppm2=8.526 assign ( resid 2125 and name HD2 ) ( resid 2085 and name HA ) 3.3 1.3 1.3 volume=0.171 peak=664 ppm1=2.558 ppm2=4.220 assign ( resid 2069 and name HA ) ( resid 2080 and name HG3 or resid 2080 and name HB2 ) 2.4 0.7 0.7 volume=1.130 peak=18 ppm1=4.082 ppm2=2.146 assign ( resid 2078 and name HA ) ( resid 2078 and name HB2 ) 2.6 0.8 0.8 volume=0.695 peak=733 ppm1=4.549 ppm2=3.092 assign ( resid 2104 and name HA ) ( resid 2107 and name H ) 3.0 1.1 1.1 volume=0.314 peak=97 ppm1=4.408 ppm2=9.172 assign ( resid 2120 and name HZ ) ( resid 2071 and name HG2# or resid 2099 and name HB# ) 2.8 1.0 1.0 volume=0.415 peak=914 ppm1=7.138 ppm2=1.255 assign ( resid 2085 and name HD2 ) ( resid 2085 and name HG3 or resid 2085 and name HG2 ) 2.2 0.6 0.6 volume=1.649 peak=630 ppm1=3.831 ppm2=2.059 assign ( resid 2047 and name HA ) ( resid 2047 and name HB2 or resid 2047 and name HB3 ) 1.9 0.5 0.5 volume=4.239 peak=431 ppm1=4.487 ppm2=3.822 assign ( resid 2094 and name HD1# ) ( resid 2102 and name HD2# ) 2.1 0.6 0.6 volume=2.341 peak=551 ppm1=0.750 ppm2=0.486 assign ( resid 2087 and name HG2# ) ( resid 2091 and name HA ) 2.9 1.1 1.1 volume=0.339 peak=303 ppm1=1.367 ppm2=4.632 assign ( resid 2083 and name HG12 ) ( resid 2080 and name HA ) 2.8 1.0 1.0 volume=0.458 peak=1014 ppm1=1.457 ppm2=4.268 assign ( resid 2073 and name HA ) ( resid 2073 and name HB ) 2.5 0.8 0.8 volume=0.896 peak=371 ppm1=3.933 ppm2=4.348 assign ( resid 2057 and name HB2 ) ( resid 2057 and name H ) 2.7 0.9 0.9 volume=0.526 peak=164 ppm1=1.991 ppm2=8.525 assign ( resid 2098 and name HG2# ) ( resid 2075 and name H ) 3.5 1.5 1.5 volume=0.118 peak=316 ppm1=1.396 ppm2=7.685 assign ( resid 2120 and name HB2 ) ( resid 2120 and name H ) 2.5 0.8 0.8 volume=0.838 peak=888 ppm1=2.978 ppm2=7.514 assign ( resid 2101 and name HA ) ( resid 2104 and name HD21 ) 2.9 1.1 1.1 volume=0.354 peak=261 ppm1=4.147 ppm2=6.966 assign ( resid 2129 and name HG2# ) ( resid 2064 and name HB# ) 1.9 0.5 0.5 volume=4.320 peak=413 ppm1=1.098 ppm2=1.571 assign ( resid 2110 and name HB ) ( resid 2112 and name HG ) 2.6 0.9 0.9 volume=0.668 peak=342 ppm1=4.154 ppm2=1.408 assign ( resid 2127 and name HA ) ( resid 2126 and name HD2 ) 3.2 1.3 1.3 volume=0.205 peak=70 ppm1=4.151 ppm2=6.928 assign ( resid 2101 and name HG2 ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2100 and name HD2# or resid 2100 and name HD1# ) 2.4 0.7 0.7 volume=0.977 peak=277 ppm1=2.411 ppm2=1.004 assign ( resid 2126 and name HB3 ) ( resid 2126 and name H ) 2.6 0.8 0.8 volume=0.703 peak=690 ppm1=2.942 ppm2=9.073 assign ( resid 2066 and name HD1# ) ( resid 2109 and name HB3 ) 2.6 0.8 0.8 volume=0.755 peak=843 ppm1=0.804 ppm2=2.699 assign ( resid 2113 and name HB3 ) ( resid 2113 and name HB2 ) 1.7 0.4 0.4 volume=9.322 peak=150 ppm1=2.543 ppm2=2.695 assign ( resid 2112 and name HD2# ) ( resid 2135 and name H ) 3.2 1.3 1.3 volume=0.195 peak=788 ppm1=0.673 ppm2=7.901 assign ( resid 2077 and name HD2 ) ( resid 2075 and name HB3 ) 2.9 1.1 1.1 volume=0.335 peak=952 ppm1=6.882 ppm2=1.383 assign ( resid 2122 and name HB2 ) ( resid 2128 and name HA ) 2.7 0.9 0.9 volume=0.517 peak=940 ppm1=2.370 ppm2=4.085 assign ( resid 2087 and name HG2# ) ( resid 2091 and name H ) 2.6 0.8 0.8 volume=0.680 peak=306 ppm1=1.366 ppm2=7.193 assign ( resid 2087 and name HB ) ( resid 2086 and name HB# or resid 2087 and name HG2# ) 2.1 0.5 0.5 volume=2.832 peak=299 ppm1=3.984 ppm2=1.366 assign ( resid 2081 and name HG2 or resid 2081 and name HG3 ) ( resid 2079 and name HB or resid 2082 and name HA ) 3.2 1.3 1.3 volume=0.206 peak=254 ppm1=2.320 ppm2=4.415 assign ( resid 2098 and name HG2# ) ( resid 2098 and name HB ) 2.0 0.5 0.5 volume=3.726 peak=321 ppm1=1.394 ppm2=4.211 assign ( resid 2079 and name HG2# ) ( resid 2079 and name HA ) 2.5 0.8 0.8 volume=0.896 peak=416 ppm1=1.224 ppm2=4.929 assign ( resid 2080 and name HG3 ) ( resid 2072 and name HB# ) 2.8 1.0 1.0 volume=0.465 peak=1013 ppm1=2.148 ppm2=1.404 assign ( resid 2107 and name HB ) ( resid 2107 and name H ) 2.4 0.7 0.7 volume=1.070 peak=280 ppm1=4.338 ppm2=9.172 assign ( resid 2080 and name HB3 ) ( resid 2080 and name HA ) 2.4 0.7 0.7 volume=1.225 peak=574 ppm1=2.090 ppm2=4.264 assign ( resid 2070 and name HB# ) ( resid 2102 and name HD2# ) 2.6 0.8 0.8 volume=0.745 peak=31 ppm1=1.449 ppm2=0.487 assign ( resid 2083 and name HG13 ) ( resid 2083 and name H ) 2.7 0.9 0.9 volume=0.497 peak=530 ppm1=1.688 ppm2=7.606 assign ( resid 2106 and name HB2 ) ( resid 2103 and name HA ) 3.4 1.4 1.4 volume=0.143 peak=793 ppm1=1.097 ppm2=3.704 assign ( resid 2111 and name HA3 ) ( resid 2111 and name H ) 2.5 0.8 0.8 volume=0.814 peak=76 ppm1=4.119 ppm2=8.241 assign ( resid 2060 and name HA ) ( resid 2062 and name HB or resid 2064 and name HA ) 3.0 1.2 1.2 volume=0.265 peak=197 ppm1=3.537 ppm2=4.231 assign ( resid 2118 and name HD2# ) ( resid 2131 and name HD2 ) 2.3 0.7 0.7 volume=1.254 peak=874 ppm1=1.102 ppm2=6.056 assign ( resid 2109 and name HB3 ) ( resid 2109 and name H ) 2.6 0.9 0.9 volume=0.608 peak=109 ppm1=2.696 ppm2=8.242 assign ( resid 2103 and name HG3 ) ( resid 2103 and name H ) 3.2 1.3 1.3 volume=0.205 peak=459 ppm1=1.958 ppm2=7.790 assign ( resid 2135 and name HD3 ) ( resid 2131 and name HE1 ) 3.0 1.1 1.1 volume=0.270 peak=464 ppm1=3.066 ppm2=7.744 assign ( resid 2131 and name HE1 ) ( resid 2135 and name HD3 ) 3.3 1.4 1.4 volume=0.165 peak=710 ppm1=7.746 ppm2=3.065 assign ( resid 2120 and name HB2 ) ( resid 2120 and name HD# ) 2.6 0.8 0.8 volume=0.735 peak=890 ppm1=2.978 ppm2=7.181 assign ( resid 2089 and name HB3 ) ( resid 2094 and name HG2# or resid 2094 and name HD1# ) 2.9 1.1 1.1 volume=0.347 peak=910 ppm1=2.851 ppm2=0.737 assign ( resid 2054 and name HA ) ( resid 2058 and name HB2 ) 3.1 1.2 1.2 volume=0.222 peak=856 ppm1=4.667 ppm2=2.081 assign ( resid 2066 and name HA ) ( resid 2066 and name HD2# ) 2.2 0.6 0.6 volume=1.803 peak=836 ppm1=4.238 ppm2=0.871 assign ( resid 2050 and name HB3 ) ( resid 2050 and name HA ) 2.5 0.8 0.8 volume=0.932 peak=444 ppm1=1.940 ppm2=4.493 assign ( resid 2064 and name HB# ) ( resid 2129 and name HG2# ) 1.9 0.4 0.4 volume=4.587 peak=8 ppm1=1.572 ppm2=1.099 assign ( resid 2113 and name HB2 ) ( resid 2113 and name HB3 ) 1.7 0.4 0.4 volume=8.999 peak=149 ppm1=2.692 ppm2=2.543 assign ( resid 2072 and name HB# ) ( resid 2073 and name H ) 2.3 0.6 0.6 volume=1.543 peak=46 ppm1=1.403 ppm2=8.191 assign ( resid 2071 and name HG2# ) ( resid 2102 and name HD2# ) 2.4 0.7 0.7 volume=1.210 peak=367 ppm1=1.259 ppm2=0.485 assign ( resid 2124 and name HB ) ( resid 2124 and name HG2# ) 2.2 0.6 0.6 volume=1.975 peak=385 ppm1=4.451 ppm2=1.019 assign ( resid 2118 and name HB3 ) ( resid 2118 and name HA ) 2.8 1.0 1.0 volume=0.466 peak=866 ppm1=2.051 ppm2=4.070 assign ( resid 2100 and name HG ) ( resid 2097 and name HA or resid 2124 and name HA ) 2.9 1.1 1.1 volume=0.338 peak=818 ppm1=1.812 ppm2=4.428 assign ( resid 2080 and name HA ) ( resid 2068 and name HB# or resid 2083 and name HG13 ) 2.6 0.8 0.8 volume=0.710 peak=575 ppm1=4.266 ppm2=1.670 assign ( resid 2059 and name HG2 ) ( resid 2060 and name H ) 3.4 1.4 1.4 volume=0.142 peak=194 ppm1=2.844 ppm2=7.972 assign ( resid 2118 and name HB2 ) ( resid 2119 and name HD1# ) 3.1 1.2 1.2 volume=0.244 peak=867 ppm1=1.721 ppm2=0.214 assign ( resid 2072 and name HB# ) ( resid 2080 and name HD3 ) 2.6 0.8 0.8 volume=0.678 peak=44 ppm1=1.404 ppm2=3.948 assign ( resid 2061 and name HA ) ( resid 2061 and name HB2 or resid 2061 and name HB3 ) 2.2 0.6 0.6 volume=2.073 peak=220 ppm1=4.114 ppm2=2.171 assign ( resid 2066 and name HD2# ) ( resid 2109 and name HB3 ) 2.5 0.8 0.8 volume=0.913 peak=842 ppm1=0.881 ppm2=2.700 assign ( resid 2047 and name HB2 or resid 2047 and name HB3 ) ( resid 2047 and name HA ) 2.1 0.5 0.5 volume=2.815 peak=950 ppm1=3.820 ppm2=4.487 assign ( resid 2124 and name HB ) ( resid 2127 and name H ) 3.3 1.4 1.4 volume=0.154 peak=390 ppm1=4.457 ppm2=8.439 assign ( resid 2116 and name HA ) ( resid 2103 and name HD3 ) 2.9 1.0 1.0 volume=0.356 peak=633 ppm1=4.106 ppm2=3.051 assign ( resid 2101 and name HB3 or resid 2101 and name HB2 ) ( resid 2100 and name H ) 3.1 1.2 1.2 volume=0.256 peak=265 ppm1=2.105 ppm2=7.234 assign ( resid 2058 and name HB2 ) ( resid 2058 and name H ) 2.7 0.9 0.9 volume=0.543 peak=178 ppm1=2.089 ppm2=7.937 assign ( resid 2126 and name HD2 ) ( resid 2126 and name H ) 3.6 1.6 1.6 volume=0.103 peak=704 ppm1=6.931 ppm2=9.071 assign ( resid 2050 and name HD3 or resid 2050 and name HD2 ) ( resid 2050 and name HA ) 2.4 0.7 0.7 volume=1.086 peak=450 ppm1=3.222 ppm2=4.493 assign ( resid 2089 and name HD# ) ( resid 2094 and name HB ) 3.0 1.1 1.1 volume=0.280 peak=925 ppm1=7.156 ppm2=1.726 assign ( resid 2085 and name HB3 ) ( resid 2085 and name HD2 ) 2.8 0.9 0.9 volume=0.483 peak=614 ppm1=2.426 ppm2=3.836 assign ( resid 2101 and name HA ) ( resid 2100 and name HD2# or resid 2100 and name HD1# ) 2.9 1.0 1.0 volume=0.371 peak=1003 ppm1=4.147 ppm2=1.011 assign ( resid 2105 and name HA ) ( resid 2105 and name H ) 2.6 0.8 0.8 volume=0.709 peak=375 ppm1=4.131 ppm2=8.541 assign ( resid 2080 and name HG3 ) ( resid 2081 and name H ) 3.2 1.3 1.3 volume=0.181 peak=594 ppm1=2.144 ppm2=9.071 assign ( resid 2102 and name HG ) ( resid 2102 and name HD1# or resid 2106 and name HD1# ) 2.0 0.5 0.5 volume=2.895 peak=809 ppm1=1.315 ppm2=0.804 assign ( resid 2096 and name HB2 or resid 2096 and name HB3 ) ( resid 2099 and name HB# ) 2.9 1.0 1.0 volume=0.385 peak=998 ppm1=4.014 ppm2=1.255 assign ( resid 2083 and name HD1# ) ( resid 2071 and name H or resid 2073 and name H ) 2.8 1.0 1.0 volume=0.424 peak=539 ppm1=0.747 ppm2=8.202 assign ( resid 2061 and name HG3 ) ( resid 2064 and name HB# ) 2.9 1.0 1.0 volume=0.370 peak=226 ppm1=2.519 ppm2=1.571 assign ( resid 2102 and name HB2 ) ( resid 2102 and name H ) 2.5 0.8 0.8 volume=0.808 peak=804 ppm1=1.838 ppm2=8.594 assign ( resid 2080 and name HD2 ) ( resid 2079 and name HG2# ) 2.7 0.9 0.9 volume=0.528 peak=599 ppm1=3.721 ppm2=1.225 assign ( resid 2080 and name HB2 ) ( resid 2069 and name HA ) 2.6 0.8 0.8 volume=0.689 peak=583 ppm1=2.157 ppm2=4.074 assign ( resid 2089 and name HZ ) ( resid 2128 and name HB2 ) 3.3 1.4 1.4 volume=0.164 peak=934 ppm1=6.915 ppm2=2.008 assign ( resid 2127 and name HB# ) ( resid 2124 and name H ) 2.1 0.5 0.5 volume=2.577 peak=69 ppm1=1.716 ppm2=7.449 assign ( resid 2089 and name HZ ) ( resid 2125 and name HA ) 2.7 0.9 0.9 volume=0.563 peak=937 ppm1=6.914 ppm2=4.116 assign ( resid 2112 and name HD2# ) ( resid 2110 and name HA ) 3.1 1.2 1.2 volume=0.230 peak=786 ppm1=0.673 ppm2=4.552 assign ( resid 2130 and name HA ) ( resid 2133 and name HB2 ) 2.7 0.9 0.9 volume=0.579 peak=231 ppm1=3.996 ppm2=2.984 assign ( resid 2108 and name HD2 ) ( resid 2105 and name HA ) 3.2 1.3 1.3 volume=0.207 peak=729 ppm1=7.030 ppm2=4.139 assign ( resid 2126 and name HD2 ) ( resid 2127 and name HA ) 3.0 1.1 1.1 volume=0.292 peak=707 ppm1=6.932 ppm2=4.151 assign ( resid 2055 and name HB2 ) ( resid 2055 and name H ) 2.8 1.0 1.0 volume=0.409 peak=422 ppm1=4.043 ppm2=9.044 assign ( resid 2102 and name HA ) ( resid 2102 and name HD2# ) 2.8 1.0 1.0 volume=0.431 peak=807 ppm1=3.976 ppm2=0.488 assign ( resid 2071 and name HB ) ( resid 2071 and name H or resid 2073 and name H ) 2.6 0.8 0.8 volume=0.709 peak=357 ppm1=3.690 ppm2=8.202 assign ( resid 2126 and name HD2 ) ( resid 2126 and name HB3 or resid 2126 and name HB2 ) 2.8 1.0 1.0 volume=0.441 peak=1015 ppm1=6.932 ppm2=2.904 assign ( resid 2056 and name HB3 ) ( resid 2056 and name HA ) 2.3 0.7 0.7 volume=1.362 peak=555 ppm1=2.503 ppm2=4.365 assign ( resid 2087 and name HB ) ( resid 2092 and name HG ) 3.1 1.2 1.2 volume=0.254 peak=298 ppm1=3.983 ppm2=1.712 assign ( resid 2075 and name HD1# ) ( resid 2071 and name HG2# ) 2.0 0.5 0.5 volume=3.445 peak=746 ppm1=0.796 ppm2=1.254 assign ( resid 2101 and name HA ) ( resid 2100 and name H ) 3.5 1.5 1.5 volume=0.111 peak=262 ppm1=4.148 ppm2=7.232 assign ( resid 2054 and name HB2 ) ( resid 2054 and name H ) 2.9 1.1 1.1 volume=0.338 peak=849 ppm1=1.553 ppm2=7.409 assign ( resid 2094 and name HG2# ) ( resid 2119 and name HG2# ) 2.1 0.6 0.6 volume=2.158 peak=548 ppm1=0.713 ppm2=0.281 assign ( resid 2112 and name HA ) ( resid 2113 and name HB3 ) 3.1 1.2 1.2 volume=0.232 peak=775 ppm1=4.289 ppm2=2.541 assign ( resid 2080 and name HB2 ) ( resid 2069 and name HB# ) 2.9 1.1 1.1 volume=0.340 peak=588 ppm1=2.158 ppm2=1.551 assign ( resid 2059 and name HA ) ( resid 2062 and name HG2# ) 2.9 1.0 1.0 volume=0.374 peak=188 ppm1=3.833 ppm2=1.205 assign ( resid 2089 and name HB2 ) ( resid 2089 and name H ) 3.2 1.3 1.3 volume=0.206 peak=124 ppm1=2.765 ppm2=8.653 assign ( resid 2077 and name HD2 ) ( resid 2077 and name HB3 or resid 2077 and name HB2 ) 2.9 1.0 1.0 volume=0.377 peak=959 ppm1=6.882 ppm2=3.108 assign ( resid 2128 and name HD1# ) ( resid 2089 and name HE# ) 2.5 0.8 0.8 volume=0.966 peak=757 ppm1=1.009 ppm2=7.642 assign ( resid 2072 and name HB# ) ( resid 2072 and name H ) 2.0 0.5 0.5 volume=2.928 peak=45 ppm1=1.403 ppm2=8.387 assign ( resid 2128 and name HD2# ) ( resid 2119 and name HD1# ) 2.4 0.7 0.7 volume=1.190 peak=767 ppm1=1.052 ppm2=0.212 assign ( resid 2077 and name HD2 ) ( resid 2075 and name HB2 ) 3.3 1.3 1.3 volume=0.176 peak=960 ppm1=6.881 ppm2=1.582 assign ( resid 2120 and name HD# ) ( resid 2117 and name HA ) 2.7 0.9 0.9 volume=0.489 peak=898 ppm1=7.181 ppm2=4.254 assign ( resid 2071 and name HB ) ( resid 2102 and name HD2# ) 2.8 1.0 1.0 volume=0.443 peak=364 ppm1=3.689 ppm2=0.487 assign ( resid 2089 and name HB3 ) ( resid 2119 and name HG2# ) 3.1 1.2 1.2 volume=0.242 peak=912 ppm1=2.853 ppm2=0.285 assign ( resid 2080 and name HB3 ) ( resid 2081 and name H ) 3.1 1.2 1.2 volume=0.216 peak=592 ppm1=2.087 ppm2=9.072 assign ( resid 2108 and name HA ) ( resid 2105 and name HG2# or resid 2107 and name HG2# ) 2.7 0.9 0.9 volume=0.586 peak=717 ppm1=4.388 ppm2=1.324 assign ( resid 2085 and name HA ) ( resid 2126 and name HB3 or resid 2126 and name HB2 ) 3.3 1.3 1.3 volume=0.172 peak=610 ppm1=4.226 ppm2=2.921 assign ( resid 2066 and name HG ) ( resid 2066 and name HA ) 2.4 0.7 0.7 volume=1.144 peak=837 ppm1=1.622 ppm2=4.233 assign ( resid 2089 and name HA ) ( resid 2092 and name HB2 ) 2.8 1.0 1.0 volume=0.469 peak=900 ppm1=4.184 ppm2=2.118 assign ( resid 2050 and name HB2 ) ( resid 2050 and name HA ) 2.5 0.8 0.8 volume=0.903 peak=445 ppm1=1.834 ppm2=4.493 assign ( resid 2126 and name HB3 ) ( resid 2085 and name HB2 ) 2.8 1.0 1.0 volume=0.444 peak=702 ppm1=2.945 ppm2=1.976 assign ( resid 2082 and name HB2 or resid 2139 and name HB2 or resid 2139 and name HB3 ) ( resid 2082 and name H or resid 2140 and name H ) 2.6 0.9 0.9 volume=0.643 peak=437 ppm1=3.872 ppm2=8.069 assign ( resid 2053 and name HA2 ) ( resid 2054 and name H ) 3.0 1.1 1.1 volume=0.273 peak=3 ppm1=4.069 ppm2=7.409 assign ( resid 2130 and name HB3 ) ( resid 2130 and name H or resid 2131 and name H ) 2.4 0.7 0.7 volume=1.096 peak=232 ppm1=2.041 ppm2=7.897 assign ( resid 2089 and name HB2 ) ( resid 2094 and name H ) 3.5 1.6 1.6 volume=0.107 peak=128 ppm1=2.765 ppm2=7.614 assign ( resid 2098 and name HA ) ( resid 2097 and name H ) 3.5 1.5 1.5 volume=0.113 peak=313 ppm1=4.086 ppm2=8.286 assign ( resid 2129 and name HG2# ) ( resid 2133 and name HB2 ) 2.9 1.1 1.1 volume=0.336 peak=409 ppm1=1.098 ppm2=2.977 assign ( resid 2103 and name HD3 ) ( resid 2100 and name HA or resid 2116 and name HA ) 2.7 0.9 0.9 volume=0.504 peak=456 ppm1=3.045 ppm2=4.132 assign ( resid 2052 and name HB3 or resid 2052 and name HB2 ) ( resid 2052 and name H ) 2.9 1.0 1.0 volume=0.388 peak=131 ppm1=2.778 ppm2=8.319 assign ( resid 2058 and name HB3 ) ( resid 2054 and name HD1# or resid 2054 and name HD2# ) 2.7 0.9 0.9 volume=0.574 peak=186 ppm1=2.452 ppm2=0.839 assign ( resid 2119 and name HB ) ( resid 2119 and name HG12 ) 2.6 0.8 0.8 volume=0.763 peak=513 ppm1=1.597 ppm2=1.103 assign ( resid 2120 and name HB3 ) ( resid 2121 and name H ) 2.8 1.0 1.0 volume=0.439 peak=891 ppm1=3.215 ppm2=8.004 assign ( resid 2109 and name HB2 ) ( resid 2110 and name HG2# ) 2.9 1.0 1.0 volume=0.387 peak=119 ppm1=2.854 ppm2=1.266 assign ( resid 2081 and name HG2 or resid 2081 and name HG3 ) ( resid 2081 and name HB3 or resid 2081 and name HB2 ) 1.8 0.4 0.4 volume=5.987 peak=256 ppm1=2.322 ppm2=2.041 assign ( resid 2108 and name HA ) ( resid 2108 and name HB2 or resid 2108 and name HB3 ) 2.1 0.6 0.6 volume=2.167 peak=994 ppm1=4.388 ppm2=3.314 assign ( resid 2123 and name HD2 ) ( resid 2124 and name H ) 3.3 1.3 1.3 volume=0.177 peak=656 ppm1=3.667 ppm2=7.447 assign ( resid 2089 and name HA ) ( resid 2089 and name H ) 2.8 1.0 1.0 volume=0.430 peak=439 ppm1=4.183 ppm2=8.652 assign ( resid 2080 and name HB2 ) ( resid 2081 and name H ) 3.4 1.4 1.4 volume=0.139 peak=591 ppm1=2.156 ppm2=9.073 assign ( resid 2101 and name HG3 ) ( resid 2101 and name H ) 2.4 0.7 0.7 volume=1.083 peak=272 ppm1=2.277 ppm2=7.550 assign ( resid 2074 and name HB ) ( resid 2102 and name HD2# ) 3.4 1.5 1.5 volume=0.132 peak=508 ppm1=2.211 ppm2=0.486 assign ( resid 2058 and name HB3 ) ( resid 2055 and name H ) 3.0 1.1 1.1 volume=0.291 peak=179 ppm1=2.451 ppm2=9.063 assign ( resid 2078 and name HB3 ) ( resid 2072 and name HB# ) 3.2 1.3 1.3 volume=0.208 peak=737 ppm1=3.251 ppm2=1.407 assign ( resid 2115 and name HD2 ) ( resid 2114 and name HD2# or resid 2118 and name HD1# ) 2.4 0.7 0.7 volume=0.988 peak=641 ppm1=3.711 ppm2=0.909 assign ( resid 2072 and name HA ) ( resid 2075 and name H or resid 2077 and name HE1 ) 3.0 1.1 1.1 volume=0.281 peak=38 ppm1=3.709 ppm2=7.681 assign ( resid 2085 and name HD3 ) ( resid 2084 and name HA ) 2.7 0.9 0.9 volume=0.586 peak=623 ppm1=4.070 ppm2=4.879 assign ( resid 2049 and name HG2 ) ( resid 2110 and name HA ) 3.0 1.1 1.1 volume=0.286 peak=967 ppm1=2.413 ppm2=4.531 assign ( resid 2087 and name HA ) ( resid 2088 and name H ) 2.1 0.5 0.5 volume=2.657 peak=971 ppm1=4.017 ppm2=8.788 assign ( resid 2108 and name HA ) ( resid 2108 and name H ) 2.4 0.7 0.7 volume=1.247 peak=715 ppm1=4.388 ppm2=8.008 assign ( resid 2101 and name HA ) ( resid 2104 and name HD22 ) 2.7 0.9 0.9 volume=0.539 peak=260 ppm1=4.147 ppm2=7.844 assign ( resid 2056 and name HB3 ) ( resid 2055 and name HA ) 3.6 1.6 1.6 volume=0.093 peak=1035 ppm1=2.501 ppm2=4.742 assign ( resid 2058 and name HG2 or resid 2058 and name HG3 ) ( resid 2058 and name H ) 2.5 0.8 0.8 volume=0.898 peak=168 ppm1=2.478 ppm2=7.938 assign ( resid 2054 and name HD2# ) ( resid 2054 and name HA ) 2.1 0.5 0.5 volume=2.716 peak=860 ppm1=0.826 ppm2=4.671 assign ( resid 2094 and name HB ) ( resid 2089 and name HD# ) 2.9 1.1 1.1 volume=0.347 peak=526 ppm1=1.728 ppm2=7.157 assign ( resid 2131 and name HB3 ) ( resid 2128 and name HD2# ) 2.9 1.0 1.0 volume=0.358 peak=688 ppm1=2.529 ppm2=1.055 assign ( resid 2072 and name HA ) ( resid 2077 and name HB3 or resid 2077 and name HB2 ) 3.1 1.2 1.2 volume=0.233 peak=35 ppm1=3.708 ppm2=3.099 assign ( resid 2089 and name HB3 ) ( resid 2094 and name HG12 or resid 2094 and name HG13 ) 3.1 1.2 1.2 volume=0.227 peak=908 ppm1=2.853 ppm2=1.453 assign ( resid 2089 and name HZ ) ( resid 2067 and name HG2# ) 2.7 0.9 0.9 volume=0.538 peak=930 ppm1=6.914 ppm2=1.130 assign ( resid 2049 and name HB2 ) ( resid 2110 and name HA ) 2.8 1.0 1.0 volume=0.408 peak=489 ppm1=2.002 ppm2=4.533 assign ( resid 2126 and name HB2 ) ( resid 2126 and name H ) 2.6 0.8 0.8 volume=0.675 peak=691 ppm1=2.888 ppm2=9.072 assign ( resid 2102 and name HD1# ) ( resid 2103 and name H ) 3.0 1.1 1.1 volume=0.284 peak=803 ppm1=0.808 ppm2=7.785 assign ( resid 2087 and name HG2# ) ( resid 2092 and name HA ) 2.7 0.9 0.9 volume=0.572 peak=304 ppm1=1.367 ppm2=4.389 assign ( resid 2124 and name HG2# ) ( resid 2089 and name H ) 2.4 0.7 0.7 volume=0.977 peak=399 ppm1=1.016 ppm2=8.651 assign ( resid 2104 and name HB3 ) ( resid 2104 and name HA ) 2.6 0.9 0.9 volume=0.623 peak=86 ppm1=2.893 ppm2=4.406 assign ( resid 2139 and name HA ) ( resid 2139 and name HB2 or resid 2139 and name HB3 ) 1.8 0.4 0.4 volume=6.957 peak=430 ppm1=4.446 ppm2=3.871 assign ( resid 2120 and name HD# ) ( resid 2120 and name HA ) 2.6 0.9 0.9 volume=0.648 peak=896 ppm1=7.180 ppm2=4.412 assign ( resid 2058 and name HB3 ) ( resid 2058 and name HA ) 2.8 1.0 1.0 volume=0.450 peak=184 ppm1=2.450 ppm2=4.160 assign ( resid 2080 and name HG3 ) ( resid 2080 and name HD2 ) 2.6 0.8 0.8 volume=0.761 peak=593 ppm1=2.147 ppm2=3.719 assign ( resid 2081 and name HA ) ( resid 2081 and name H ) 2.6 0.8 0.8 volume=0.704 peak=250 ppm1=4.139 ppm2=9.072 assign ( resid 2131 and name HB2 ) ( resid 2128 and name HA ) 3.0 1.2 1.2 volume=0.269 peak=685 ppm1=2.856 ppm2=4.084 assign ( resid 2085 and name HA ) ( resid 2085 and name HG3 or resid 2085 and name HG2 or resid 2085 and name HB2 ) 2.2 0.6 0.6 volume=1.822 peak=606 ppm1=4.228 ppm2=2.029 assign ( resid 2105 and name HA ) ( resid 2106 and name H ) 2.8 1.0 1.0 volume=0.397 peak=376 ppm1=4.131 ppm2=8.288 assign ( resid 2058 and name HB2 ) ( resid 2054 and name HD1# or resid 2054 and name HD2# ) 2.4 0.7 0.7 volume=1.079 peak=187 ppm1=2.089 ppm2=0.841 assign ( resid 2084 and name HB3 or resid 2084 and name HB2 ) ( resid 2092 and name HD1# ) 2.6 0.9 0.9 volume=0.659 peak=294 ppm1=3.984 ppm2=0.785 assign ( resid 2128 and name HA ) ( resid 2131 and name HB2 ) 2.9 1.0 1.0 volume=0.387 peak=753 ppm1=4.087 ppm2=2.855 assign ( resid 2110 and name HB ) ( resid 2109 and name H or resid 2111 and name H ) 3.3 1.3 1.3 volume=0.176 peak=331 ppm1=4.154 ppm2=8.245 assign ( resid 2060 and name HA ) ( resid 2064 and name H ) 3.2 1.3 1.3 volume=0.205 peak=196 ppm1=3.537 ppm2=8.903 assign ( resid 2126 and name HD2 ) ( resid 2127 and name HB# ) 3.1 1.2 1.2 volume=0.257 peak=708 ppm1=6.931 ppm2=1.718 assign ( resid 2071 and name HG2# ) ( resid 2089 and name HZ ) 3.0 1.1 1.1 volume=0.273 peak=366 ppm1=1.258 ppm2=6.908 assign ( resid 2133 and name HB3 ) ( resid 2134 and name H ) 2.9 1.1 1.1 volume=0.325 peak=674 ppm1=3.291 ppm2=8.267 assign ( resid 2094 and name HG2# ) ( resid 2099 and name HA ) 2.3 0.6 0.6 volume=1.604 peak=547 ppm1=0.714 ppm2=3.702 assign ( resid 2080 and name HA ) ( resid 2083 and name HD1# or resid 2083 and name HG2# ) 2.6 0.8 0.8 volume=0.674 peak=577 ppm1=4.266 ppm2=0.758 assign ( resid 2064 and name HA ) ( resid 2129 and name HG2# ) 2.2 0.6 0.6 volume=2.117 peak=9 ppm1=4.210 ppm2=1.095 assign ( resid 2104 and name HB3 ) ( resid 2104 and name HD21 ) 2.8 1.0 1.0 volume=0.432 peak=90 ppm1=2.893 ppm2=6.967 assign ( resid 2053 and name HA3 ) ( resid 2054 and name H ) 3.0 1.2 1.2 volume=0.263 peak=4 ppm1=3.848 ppm2=7.413 assign ( resid 2118 and name HD1# ) ( resid 2119 and name H ) 2.8 1.0 1.0 volume=0.420 peak=871 ppm1=0.928 ppm2=8.126 assign ( resid 2107 and name HA ) ( resid 2107 and name H ) 2.7 0.9 0.9 volume=0.534 peak=380 ppm1=4.199 ppm2=9.172 assign ( resid 2088 and name HA ) ( resid 2089 and name H ) 2.4 0.7 0.7 volume=1.214 peak=58 ppm1=4.466 ppm2=8.652 assign ( resid 2056 and name HD3 ) ( resid 2055 and name HA ) 2.8 1.0 1.0 volume=0.472 peak=564 ppm1=3.958 ppm2=4.754 assign ( resid 2124 and name HB ) ( resid 2125 and name HD3 ) 2.7 0.9 0.9 volume=0.606 peak=388 ppm1=4.451 ppm2=3.765 assign ( resid 2089 and name HA ) ( resid 2090 and name H ) 3.2 1.3 1.3 volume=0.199 peak=440 ppm1=4.184 ppm2=9.234 assign ( resid 2057 and name HA ) ( resid 2057 and name HB3 ) 2.1 0.5 0.5 volume=2.754 peak=159 ppm1=4.081 ppm2=2.118 assign ( resid 2108 and name HB2 ) ( resid 2108 and name HD2 ) 2.9 1.1 1.1 volume=0.336 peak=723 ppm1=3.295 ppm2=7.031 assign ( resid 2133 and name HB2 ) ( resid 2130 and name HA ) 2.8 1.0 1.0 volume=0.436 peak=679 ppm1=2.983 ppm2=3.995 assign ( resid 2083 and name HG2# ) ( resid 2083 and name HB ) 2.0 0.5 0.5 volume=3.603 peak=533 ppm1=0.793 ppm2=2.197 assign ( resid 2073 and name HB ) ( resid 2074 and name H ) 2.4 0.7 0.7 volume=1.235 peak=289 ppm1=4.357 ppm2=7.910 assign ( resid 2080 and name HA ) ( resid 2080 and name HD2 ) 3.0 1.2 1.2 volume=0.266 peak=578 ppm1=4.267 ppm2=3.722 assign ( resid 2072 and name HB# ) ( resid 2080 and name HA ) 2.1 0.5 0.5 volume=2.475 peak=42 ppm1=1.403 ppm2=4.271 assign ( resid 2109 and name HB2 ) ( resid 2109 and name HD22 ) 3.0 1.1 1.1 volume=0.282 peak=114 ppm1=2.853 ppm2=7.442 assign ( resid 2128 and name HD2# ) ( resid 2122 and name HB3 ) 2.5 0.8 0.8 volume=0.878 peak=763 ppm1=1.051 ppm2=3.165 assign ( resid 2077 and name HD2 ) ( resid 2072 and name HA ) 3.5 1.6 1.6 volume=0.107 peak=958 ppm1=6.884 ppm2=3.713 assign ( resid 2110 and name HG2# ) ( resid 2109 and name HB2 ) 2.7 0.9 0.9 volume=0.605 peak=343 ppm1=1.260 ppm2=2.855 assign ( resid 2069 and name HA ) ( resid 2080 and name HG2 ) 2.6 0.8 0.8 volume=0.714 peak=19 ppm1=4.082 ppm2=2.018 assign ( resid 2071 and name HB ) ( resid 2071 and name HA ) 2.5 0.8 0.8 volume=0.820 peak=360 ppm1=3.689 ppm2=4.323 assign ( resid 2058 and name HB3 ) ( resid 2054 and name HA ) 3.4 1.4 1.4 volume=0.147 peak=183 ppm1=2.457 ppm2=4.665 assign ( resid 2052 and name HA ) ( resid 2052 and name H ) 3.3 1.3 1.3 volume=0.171 peak=134 ppm1=4.478 ppm2=8.321 assign ( resid 2135 and name HD2 ) ( resid 2131 and name HE1 ) 3.1 1.2 1.2 volume=0.256 peak=463 ppm1=2.916 ppm2=7.744 assign ( resid 2125 and name HA ) ( resid 2089 and name HE# ) 2.8 1.0 1.0 volume=0.451 peak=659 ppm1=4.119 ppm2=7.642 assign ( resid 2055 and name HA ) ( resid 2056 and name HG2 ) 3.1 1.2 1.2 volume=0.242 peak=429 ppm1=4.760 ppm2=2.285 assign ( resid 2094 and name HG12 ) ( resid 2094 and name H ) 2.6 0.8 0.8 volume=0.687 peak=542 ppm1=1.436 ppm2=7.588 assign ( resid 2091 and name HB3 or resid 2091 and name HB2 ) ( resid 2088 and name H ) 3.2 1.3 1.3 volume=0.199 peak=141 ppm1=2.839 ppm2=8.787 assign ( resid 2101 and name HG2 ) ( resid 2100 and name HA or resid 2101 and name HA ) 2.4 0.7 0.7 volume=1.226 peak=268 ppm1=2.411 ppm2=4.135 assign ( resid 2067 and name HG2# ) ( resid 2102 and name HD2# ) 2.9 1.0 1.0 volume=0.355 peak=498 ppm1=1.134 ppm2=0.490 assign ( resid 2071 and name HG2# ) ( resid 2071 and name H or resid 2073 and name H ) 2.4 0.7 0.7 volume=0.977 peak=286 ppm1=1.265 ppm2=8.200 assign ( resid 2102 and name HG ) ( resid 2102 and name HD2# ) 2.3 0.7 0.7 volume=1.432 peak=810 ppm1=1.314 ppm2=0.486 assign ( resid 2070 and name HA ) ( resid 2070 and name H ) 2.4 0.7 0.7 volume=1.221 peak=22 ppm1=4.178 ppm2=8.567 assign ( resid 2056 and name HD2 ) ( resid 2057 and name H ) 3.5 1.6 1.6 volume=0.106 peak=568 ppm1=4.009 ppm2=8.523 assign ( resid 2115 and name HG2 ) ( resid 2117 and name H ) 3.2 1.2 1.2 volume=0.213 peak=639 ppm1=2.222 ppm2=6.818 assign ( resid 2086 and name HB# ) ( resid 2086 and name H ) 1.9 0.4 0.4 volume=4.823 peak=53 ppm1=1.334 ppm2=7.603 assign ( resid 2106 and name HB2 ) ( resid 2106 and name H ) 2.9 1.0 1.0 volume=0.391 peak=791 ppm1=1.093 ppm2=8.293 assign ( resid 2089 and name HE# ) ( resid 2102 and name HD2# ) 3.0 1.1 1.1 volume=0.287 peak=929 ppm1=7.646 ppm2=0.488 assign ( resid 2087 and name HG2# ) ( resid 2091 and name HB3 or resid 2091 and name HB2 ) 2.1 0.5 0.5 volume=2.486 peak=305 ppm1=1.366 ppm2=2.839 assign ( resid 2088 and name HA ) ( resid 2090 and name H ) 3.2 1.3 1.3 volume=0.179 peak=1018 ppm1=4.468 ppm2=9.233 assign ( resid 2123 and name HB2 ) ( resid 2088 and name HB# ) 3.2 1.3 1.3 volume=0.188 peak=648 ppm1=2.341 ppm2=1.541 assign ( resid 2115 and name HD3 ) ( resid 2114 and name HD2# or resid 2118 and name HD1# ) 2.5 0.8 0.8 volume=0.872 peak=644 ppm1=3.983 ppm2=0.909 assign ( resid 2109 and name HB3 ) ( resid 2109 and name HA ) 2.6 0.9 0.9 volume=0.616 peak=110 ppm1=2.700 ppm2=4.605 assign ( resid 2081 and name HB2 ) ( resid 2082 and name H ) 3.1 1.2 1.2 volume=0.224 peak=1008 ppm1=2.060 ppm2=8.103 assign ( resid 2079 and name HB ) ( resid 2081 and name H ) 3.3 1.3 1.3 volume=0.171 peak=969 ppm1=4.378 ppm2=9.073 assign ( resid 2131 and name HB3 ) ( resid 2128 and name HA ) 2.9 1.1 1.1 volume=0.322 peak=686 ppm1=2.524 ppm2=4.095 assign ( resid 2048 and name HB3 ) ( resid 2048 and name HD2 ) 2.7 0.9 0.9 volume=0.511 peak=968 ppm1=3.052 ppm2=6.958 assign ( resid 2110 and name HB ) ( resid 2110 and name H ) 3.0 1.2 1.2 volume=0.262 peak=329 ppm1=4.155 ppm2=8.018 assign ( resid 2082 and name HB3 ) ( resid 2082 and name H ) 2.9 1.0 1.0 volume=0.392 peak=432 ppm1=3.992 ppm2=8.103 assign ( resid 2084 and name HB3 or resid 2084 and name HB2 ) ( resid 2092 and name HD2# ) 2.7 0.9 0.9 volume=0.596 peak=295 ppm1=3.985 ppm2=0.938 assign ( resid 2109 and name HA ) ( resid 2109 and name HB3 ) 2.4 0.7 0.7 volume=0.991 peak=105 ppm1=4.608 ppm2=2.697 assign ( resid 2066 and name HA ) ( resid 2067 and name H ) 3.0 1.1 1.1 volume=0.312 peak=834 ppm1=4.238 ppm2=8.813 assign ( resid 2053 and name HA3 ) ( resid 2053 and name HA2 ) 2.1 0.5 0.5 volume=2.667 peak=2 ppm1=3.852 ppm2=4.069 assign ( resid 2071 and name HA ) ( resid 2072 and name H ) 2.8 1.0 1.0 volume=0.445 peak=354 ppm1=4.330 ppm2=8.387 assign ( resid 2067 and name HG2# ) ( resid 2089 and name HZ ) 2.4 0.7 0.7 volume=1.079 peak=499 ppm1=1.134 ppm2=6.915 assign ( resid 2119 and name HD1# ) ( resid 2089 and name HZ ) 3.0 1.1 1.1 volume=0.273 peak=1005 ppm1=0.210 ppm2=6.916 assign ( resid 2074 and name HG2# ) ( resid 2074 and name H ) 2.2 0.6 0.6 volume=1.859 peak=509 ppm1=0.992 ppm2=7.910 assign ( resid 2068 and name HA ) ( resid 2071 and name HB ) 3.3 1.4 1.4 volume=0.162 peak=1023 ppm1=4.051 ppm2=3.679 assign ( resid 2049 and name HG2 ) ( resid 2050 and name H ) 3.6 1.7 1.7 volume=0.089 peak=965 ppm1=2.411 ppm2=8.722 assign ( resid 2060 and name HG3 ) ( resid 2060 and name HE21 ) 3.3 1.4 1.4 volume=0.161 peak=214 ppm1=2.127 ppm2=6.828 assign ( resid 2069 and name HA ) ( resid 2071 and name H ) 3.1 1.2 1.2 volume=0.241 peak=996 ppm1=4.083 ppm2=8.197 assign ( resid 2098 and name HB ) ( resid 2094 and name HD1# ) 2.2 0.6 0.6 volume=1.695 peak=325 ppm1=4.212 ppm2=0.748 assign ( resid 2082 and name HB2 ) ( resid 2081 and name HG2 or resid 2081 and name HG3 ) 3.6 1.6 1.6 volume=0.103 peak=1028 ppm1=3.862 ppm2=2.323 assign ( resid 2050 and name HA ) ( resid 2050 and name HD3 or resid 2050 and name HD2 ) 2.5 0.8 0.8 volume=0.766 peak=443 ppm1=4.490 ppm2=3.219 assign ( resid 2131 and name HB3 ) ( resid 2131 and name HA ) 2.6 0.9 0.9 volume=0.614 peak=683 ppm1=2.529 ppm2=4.256 assign ( resid 2100 and name HD2# ) ( resid 2101 and name H ) 2.8 1.0 1.0 volume=0.429 peak=497 ppm1=1.064 ppm2=7.552 assign ( resid 2075 and name HB2 ) ( resid 2075 and name H ) 2.9 1.0 1.0 volume=0.373 peak=827 ppm1=1.578 ppm2=7.683 assign ( resid 2102 and name HD2# ) ( resid 2071 and name HA ) 3.0 1.1 1.1 volume=0.313 peak=814 ppm1=0.490 ppm2=4.315 assign ( resid 2128 and name HD2# ) ( resid 2122 and name HD2 ) 2.7 0.9 0.9 volume=0.580 peak=761 ppm1=1.051 ppm2=6.802 assign ( resid 2110 and name HA ) ( resid 2049 and name HB2 or resid 2049 and name HB3 ) 2.6 0.9 0.9 volume=0.620 peak=991 ppm1=4.539 ppm2=2.031 assign ( resid 2089 and name HE# ) ( resid 2089 and name HD# ) 2.6 0.8 0.8 volume=0.706 peak=922 ppm1=7.645 ppm2=7.156 assign ( resid 2088 and name HA ) ( resid 2124 and name HG2# ) 2.2 0.6 0.6 volume=1.919 peak=55 ppm1=4.466 ppm2=1.020 assign ( resid 2108 and name HB2 ) ( resid 2105 and name HA ) 2.7 0.9 0.9 volume=0.575 peak=725 ppm1=3.293 ppm2=4.133 assign ( resid 2089 and name HB2 ) ( resid 2089 and name HA ) 3.0 1.1 1.1 volume=0.298 peak=130 ppm1=2.765 ppm2=4.183 assign ( resid 2130 and name HG2 ) ( resid 2126 and name HE1 ) 3.4 1.5 1.5 volume=0.129 peak=234 ppm1=2.164 ppm2=7.662 assign ( resid 2111 and name HA2 ) ( resid 2111 and name H ) 2.4 0.7 0.7 volume=0.982 peak=79 ppm1=3.799 ppm2=8.241 assign ( resid 2133 and name HB3 ) ( resid 2130 and name HA ) 2.7 0.9 0.9 volume=0.526 peak=678 ppm1=3.289 ppm2=3.994 assign ( resid 2060 and name HG2 ) ( resid 2129 and name HG2# ) 2.7 0.9 0.9 volume=0.574 peak=218 ppm1=1.949 ppm2=1.098 assign ( resid 2108 and name HB2 ) ( resid 2109 and name H ) 2.6 0.8 0.8 volume=0.688 peak=721 ppm1=3.295 ppm2=8.243 assign ( resid 2130 and name HG3 ) ( resid 2126 and name HE1 ) 3.4 1.4 1.4 volume=0.145 peak=233 ppm1=2.234 ppm2=7.661 assign ( resid 2139 and name HA ) ( resid 2140 and name H ) 2.2 0.6 0.6 volume=2.028 peak=939 ppm1=4.445 ppm2=8.050 assign ( resid 2083 and name HG2# ) ( resid 2084 and name H ) 2.6 0.9 0.9 volume=0.668 peak=534 ppm1=0.793 ppm2=8.340 assign ( resid 2102 and name HD2# ) ( resid 2102 and name HD1# or resid 2106 and name HD1# ) 1.7 0.4 0.4 volume=7.954 peak=817 ppm1=0.490 ppm2=0.795 assign ( resid 2113 and name HA ) ( resid 2113 and name HB2 ) 2.3 0.7 0.7 volume=1.253 peak=147 ppm1=4.636 ppm2=2.694 assign ( resid 2124 and name HA ) ( resid 2124 and name H ) 3.0 1.1 1.1 volume=0.283 peak=384 ppm1=4.442 ppm2=7.441 assign ( resid 2079 and name HB ) ( resid 2079 and name HA ) 2.8 1.0 1.0 volume=0.397 peak=671 ppm1=4.378 ppm2=4.928 assign ( resid 2077 and name HE1 ) ( resid 2072 and name HB# ) 2.8 1.0 1.0 volume=0.420 peak=954 ppm1=7.687 ppm2=1.406 assign ( resid 2126 and name HA ) ( resid 2129 and name H ) 2.9 1.0 1.0 volume=0.360 peak=401 ppm1=4.284 ppm2=8.933 assign ( resid 2127 and name HB# ) ( resid 2123 and name HD2 ) 2.5 0.8 0.8 volume=0.817 peak=66 ppm1=1.716 ppm2=3.669 assign ( resid 2087 and name HG2# ) ( resid 2092 and name HD2# ) 2.0 0.5 0.5 volume=3.061 peak=300 ppm1=1.367 ppm2=0.921 assign ( resid 2068 and name HA ) ( resid 2071 and name HG2# ) 2.9 1.0 1.0 volume=0.375 peak=13 ppm1=4.043 ppm2=1.259 assign ( resid 2137 and name HG2# ) ( resid 2133 and name HD2 ) 2.4 0.7 0.7 volume=0.991 peak=352 ppm1=0.999 ppm2=6.649 assign ( resid 2138 and name HG3 or resid 2138 and name HG2 ) ( resid 2138 and name HE22 ) 2.8 1.0 1.0 volume=0.463 peak=224 ppm1=2.423 ppm2=6.917 assign ( resid 2091 and name HB3 or resid 2091 and name HB2 ) ( resid 2088 and name HB# ) 2.7 0.9 0.9 volume=0.564 peak=140 ppm1=2.834 ppm2=1.542 assign ( resid 2112 and name HB2 ) ( resid 2112 and name HB3 ) 2.3 0.7 0.7 volume=1.286 peak=778 ppm1=1.069 ppm2=1.590 assign ( resid 2076 and name HA3 ) ( resid 2076 and name H ) 2.5 0.8 0.8 volume=0.820 peak=72 ppm1=4.135 ppm2=7.774 assign ( resid 2058 and name HB2 ) ( resid 2054 and name HA ) 3.3 1.4 1.4 volume=0.159 peak=182 ppm1=2.089 ppm2=4.678 assign ( resid 2126 and name HB3 ) ( resid 2127 and name H ) 2.9 1.1 1.1 volume=0.342 peak=692 ppm1=2.939 ppm2=8.435 assign ( resid 2128 and name HD2# ) ( resid 2131 and name H ) 2.9 1.0 1.0 volume=0.362 peak=760 ppm1=1.051 ppm2=7.918 assign ( resid 2099 and name HA ) ( resid 2102 and name HB2 ) 2.6 0.9 0.9 volume=0.648 peak=33 ppm1=3.702 ppm2=1.839 assign ( resid 2138 and name HA ) ( resid 2138 and name H ) 2.4 0.7 0.7 volume=1.164 peak=100 ppm1=4.410 ppm2=7.746 assign ( resid 2092 and name HG ) ( resid 2089 and name HA ) 3.0 1.1 1.1 volume=0.309 peak=824 ppm1=1.709 ppm2=4.185 assign ( resid 2098 and name HB ) ( resid 2098 and name H ) 2.8 1.0 1.0 volume=0.436 peak=309 ppm1=4.212 ppm2=8.917 assign ( resid 2109 and name HB2 ) ( resid 2066 and name HD1# or resid 2106 and name HD2# ) 2.6 0.8 0.8 volume=0.725 peak=112 ppm1=2.852 ppm2=0.800 assign ( resid 2057 and name HA ) ( resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2060 and name HG2 ) 2.1 0.6 0.6 volume=2.216 peak=167 ppm1=4.080 ppm2=1.981 assign ( resid 2072 and name HB# ) ( resid 2074 and name H ) 3.2 1.2 1.2 volume=0.215 peak=47 ppm1=1.403 ppm2=7.910 assign ( resid 2054 and name HA ) ( resid 2054 and name H ) 2.8 1.0 1.0 volume=0.406 peak=847 ppm1=4.674 ppm2=7.410 assign ( resid 2074 and name HB ) ( resid 2075 and name H ) 2.9 1.0 1.0 volume=0.362 peak=505 ppm1=2.212 ppm2=7.684 assign ( resid 2059 and name HG2 ) ( resid 2056 and name HA ) 3.4 1.5 1.5 volume=0.128 peak=195 ppm1=2.846 ppm2=4.378 assign ( resid 2067 and name HG2# ) ( resid 2089 and name HE# ) 2.6 0.9 0.9 volume=0.646 peak=500 ppm1=1.134 ppm2=7.645 assign ( resid 2049 and name HA ) ( resid 2050 and name H ) 2.5 0.8 0.8 volume=0.915 peak=483 ppm1=4.337 ppm2=8.719 assign ( resid 2123 and name HD2 ) ( resid 2127 and name HB# ) 2.6 0.8 0.8 volume=0.705 peak=658 ppm1=3.667 ppm2=1.718 assign ( resid 2109 and name HB2 ) ( resid 2109 and name H ) 2.7 0.9 0.9 volume=0.586 peak=106 ppm1=2.853 ppm2=8.243 assign ( resid 2068 and name HB# ) ( resid 2065 and name HA or resid 2068 and name HA ) 1.8 0.4 0.4 volume=6.603 peak=987 ppm1=1.661 ppm2=4.035 assign ( resid 2077 and name HB3 or resid 2077 and name HB2 ) ( resid 2072 and name HA ) 3.1 1.2 1.2 volume=0.246 peak=961 ppm1=3.109 ppm2=3.712 assign ( resid 2105 and name HA ) ( resid 2108 and name H ) 3.0 1.1 1.1 volume=0.316 peak=377 ppm1=4.130 ppm2=8.007 assign ( resid 2058 and name HG2 or resid 2058 and name HG3 ) ( resid 2054 and name HD1# or resid 2054 and name HD2# ) 2.6 0.9 0.9 volume=0.668 peak=175 ppm1=2.482 ppm2=0.841 assign ( resid 2078 and name HE1 ) ( resid 2073 and name HA ) 3.5 1.5 1.5 volume=0.115 peak=742 ppm1=7.904 ppm2=3.931 assign ( resid 2124 and name HA ) ( resid 2125 and name HD2 ) 2.6 0.8 0.8 volume=0.743 peak=391 ppm1=4.444 ppm2=2.555 assign ( resid 2126 and name HB2 ) ( resid 2086 and name HA or resid 2124 and name HB ) 3.0 1.1 1.1 volume=0.278 peak=697 ppm1=2.887 ppm2=4.452 assign ( resid 2115 and name HG2 ) ( resid 2118 and name HD2# ) 2.9 1.1 1.1 volume=0.352 peak=1020 ppm1=2.223 ppm2=1.098 assign ( resid 2140 and name HB2 ) ( resid 2140 and name HA ) 2.2 0.6 0.6 volume=2.093 peak=673 ppm1=3.198 ppm2=4.476 assign ( resid 2086 and name HA ) ( resid 2126 and name HB3 or resid 2126 and name HB2 ) 3.1 1.2 1.2 volume=0.259 peak=1017 ppm1=4.463 ppm2=2.904 assign ( resid 2079 and name HB ) ( resid 2080 and name HG2 or resid 2081 and name HB3 or resid 2081 and name HB2 ) 3.0 1.1 1.1 volume=0.313 peak=420 ppm1=4.380 ppm2=2.027 assign ( resid 2108 and name HB3 ) ( resid 2105 and name HA ) 2.7 0.9 0.9 volume=0.511 peak=724 ppm1=3.345 ppm2=4.133 assign ( resid 2124 and name HG2# ) ( resid 2126 and name H ) 3.1 1.2 1.2 volume=0.243 peak=1019 ppm1=1.018 ppm2=9.069 assign ( resid 2124 and name HB ) ( resid 2126 and name H ) 2.8 1.0 1.0 volume=0.476 peak=389 ppm1=4.451 ppm2=9.072 assign ( resid 2082 and name HB3 ) ( resid 2079 and name HG2# ) 3.0 1.1 1.1 volume=0.306 peak=436 ppm1=3.992 ppm2=1.223 assign ( resid 2120 and name HB3 ) ( resid 2120 and name HE# ) 3.2 1.3 1.3 volume=0.183 peak=886 ppm1=3.215 ppm2=7.296 assign ( resid 2109 and name HB3 ) ( resid 2108 and name H or resid 2110 and name H ) 3.0 1.2 1.2 volume=0.267 peak=108 ppm1=2.697 ppm2=8.015 assign ( resid 2090 and name HG2 ) ( resid 2090 and name HA ) 2.6 0.8 0.8 volume=0.709 peak=479 ppm1=1.542 ppm2=4.315 assign ( resid 2050 and name HD3 or resid 2050 and name HD2 ) ( resid 2050 and name HB2 ) 2.2 0.6 0.6 volume=1.824 peak=452 ppm1=3.220 ppm2=1.840 assign ( resid 2120 and name HZ ) ( resid 2094 and name HG2# or resid 2119 and name HG13 ) 3.6 1.6 1.6 volume=0.096 peak=915 ppm1=7.133 ppm2=0.720 assign ( resid 2060 and name HA ) ( resid 2067 and name HG2# or resid 2067 and name HG1# or resid 2129 and name HG2# ) 2.6 0.9 0.9 volume=0.651 peak=200 ppm1=3.537 ppm2=1.098 assign ( resid 2067 and name HA ) ( resid 2102 and name HD2# ) 3.7 1.7 1.7 volume=0.081 peak=492 ppm1=3.530 ppm2=0.488 assign ( resid 2110 and name HB ) ( resid 2112 and name H ) 2.9 1.0 1.0 volume=0.357 peak=334 ppm1=4.154 ppm2=7.667 assign ( resid 2136 and name HD2# ) ( resid 2136 and name H ) 2.5 0.8 0.8 volume=0.788 peak=750 ppm1=0.969 ppm2=8.138 assign ( resid 2102 and name HB3 ) ( resid 2102 and name HD2# ) 2.5 0.8 0.8 volume=0.889 peak=808 ppm1=1.473 ppm2=0.487 assign ( resid 2085 and name HB3 ) ( resid 2085 and name HA ) 2.2 0.6 0.6 volume=1.650 peak=615 ppm1=2.425 ppm2=4.228 assign ( resid 2123 and name HB2 ) ( resid 2089 and name HD# ) 3.4 1.4 1.4 volume=0.144 peak=651 ppm1=2.337 ppm2=7.162 assign ( resid 2081 and name HG2 or resid 2081 and name HG3 ) ( resid 2079 and name HG2# ) 2.6 0.9 0.9 volume=0.654 peak=255 ppm1=2.321 ppm2=1.223 assign ( resid 2078 and name HB2 ) ( resid 2079 and name HG2# ) 3.1 1.2 1.2 volume=0.250 peak=736 ppm1=3.088 ppm2=1.227 assign ( resid 2085 and name HD2 ) ( resid 2086 and name H ) 2.9 1.0 1.0 volume=0.383 peak=604 ppm1=3.833 ppm2=7.605 assign ( resid 2094 and name HD1# ) ( resid 2089 and name HD# ) 2.6 0.8 0.8 volume=0.739 peak=549 ppm1=0.750 ppm2=7.156 assign ( resid 2128 and name HA ) ( resid 2122 and name HB2 ) 2.7 0.9 0.9 volume=0.516 peak=755 ppm1=4.087 ppm2=2.366 assign ( resid 2085 and name HD3 ) ( resid 2085 and name HG3 or resid 2085 and name HG2 ) 2.3 0.7 0.7 volume=1.313 peak=629 ppm1=4.072 ppm2=2.045 assign ( resid 2071 and name HA ) ( resid 2102 and name HD2# ) 3.3 1.3 1.3 volume=0.175 peak=356 ppm1=4.330 ppm2=0.488 assign ( resid 2112 and name HD2# ) ( resid 2048 and name HD2 ) 3.2 1.3 1.3 volume=0.181 peak=787 ppm1=0.672 ppm2=6.949 assign ( resid 2067 and name HG2# ) ( resid 2068 and name H ) 2.5 0.8 0.8 volume=0.874 peak=496 ppm1=1.134 ppm2=8.569 assign ( resid 2094 and name HA ) ( resid 2095 and name H ) 2.2 0.6 0.6 volume=1.652 peak=512 ppm1=4.027 ppm2=8.052 assign ( resid 2072 and name HB# ) ( resid 2077 and name HD2 ) 3.7 1.7 1.7 volume=0.086 peak=1024 ppm1=1.404 ppm2=6.881 assign ( resid 2115 and name HD2 ) ( resid 2106 and name HB2 or resid 2118 and name HD2# ) 2.6 0.9 0.9 volume=0.660 peak=642 ppm1=3.711 ppm2=1.099 assign ( resid 2080 and name HB2 ) ( resid 2080 and name HD2 ) 2.9 1.1 1.1 volume=0.333 peak=584 ppm1=2.161 ppm2=3.717 assign ( resid 2120 and name HB2 ) ( resid 2120 and name HE# ) 3.3 1.3 1.3 volume=0.171 peak=889 ppm1=2.978 ppm2=7.295 assign ( resid 2080 and name HG2 ) ( resid 2069 and name H ) 3.2 1.3 1.3 volume=0.196 peak=1012 ppm1=2.006 ppm2=8.638 assign ( resid 2070 and name HB# ) ( resid 2071 and name H ) 2.2 0.6 0.6 volume=1.727 peak=25 ppm1=1.448 ppm2=8.205 assign ( resid 2115 and name HG2 ) ( resid 2118 and name H ) 3.2 1.3 1.3 volume=0.198 peak=637 ppm1=2.223 ppm2=7.367 assign ( resid 2083 and name HD1# ) ( resid 2072 and name H ) 2.5 0.8 0.8 volume=0.900 peak=538 ppm1=0.746 ppm2=8.376 assign ( resid 2056 and name HD2 ) ( resid 2055 and name HA ) 2.8 0.9 0.9 volume=0.485 peak=565 ppm1=4.008 ppm2=4.754 assign ( resid 2104 and name HA ) ( resid 2105 and name H ) 3.0 1.1 1.1 volume=0.279 peak=99 ppm1=4.408 ppm2=8.547 assign ( resid 2065 and name HB ) ( resid 2064 and name H ) 3.1 1.2 1.2 volume=0.230 peak=281 ppm1=4.331 ppm2=8.890 assign ( resid 2060 and name HG2 ) ( resid 2133 and name HD2 ) 3.5 1.5 1.5 volume=0.113 peak=213 ppm1=1.949 ppm2=6.651 assign ( resid 2110 and name HB ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2049 and name HB3 ) 3.2 1.3 1.3 volume=0.203 peak=345 ppm1=4.153 ppm2=2.020 assign ( resid 2080 and name HD3 ) ( resid 2079 and name HG2# ) 2.6 0.9 0.9 volume=0.632 peak=598 ppm1=3.945 ppm2=1.220 assign ( resid 2063 and name HD1# ) ( resid 2060 and name HA ) 2.4 0.7 0.7 volume=1.123 peak=846 ppm1=0.879 ppm2=3.537 assign ( resid 2074 and name HB ) ( resid 2071 and name HB ) 2.9 1.0 1.0 volume=0.361 peak=507 ppm1=2.210 ppm2=3.693 assign ( resid 2112 and name HB2 ) ( resid 2112 and name H ) 2.8 1.0 1.0 volume=0.440 peak=770 ppm1=1.070 ppm2=7.667 assign ( resid 2109 and name HB3 ) ( resid 2106 and name HA ) 2.8 1.0 1.0 volume=0.451 peak=111 ppm1=2.697 ppm2=4.180 assign ( resid 2089 and name HE# ) ( resid 2125 and name HA ) 2.9 1.1 1.1 volume=0.320 peak=938 ppm1=7.644 ppm2=4.115 assign ( resid 2089 and name HB2 ) ( resid 2090 and name H ) 3.3 1.3 1.3 volume=0.168 peak=122 ppm1=2.763 ppm2=9.234 assign ( resid 2090 and name HB2 ) ( resid 2090 and name HA ) 2.2 0.6 0.6 volume=1.938 peak=474 ppm1=1.970 ppm2=4.314 assign ( resid 2128 and name HG ) ( resid 2119 and name HD1# ) 3.3 1.3 1.3 volume=0.176 peak=988 ppm1=1.653 ppm2=0.205 assign ( resid 2055 and name HB2 ) ( resid 2055 and name HB3 ) 2.5 0.8 0.8 volume=0.947 peak=425 ppm1=4.043 ppm2=4.440 assign ( resid 2122 and name HB3 ) ( resid 2128 and name HA ) 2.8 1.0 1.0 volume=0.438 peak=941 ppm1=3.160 ppm2=4.083 assign ( resid 2069 and name HA ) ( resid 2069 and name HB# ) 2.0 0.5 0.5 volume=3.803 peak=20 ppm1=4.082 ppm2=1.556 assign ( resid 2078 and name HD2 ) ( resid 2078 and name HB2 ) 2.8 1.0 1.0 volume=0.433 peak=741 ppm1=6.969 ppm2=3.090 assign ( resid 2111 and name HA3 ) ( resid 2110 and name H ) 3.4 1.4 1.4 volume=0.137 peak=77 ppm1=4.120 ppm2=8.017 assign ( resid 2104 and name HB2 ) ( resid 2101 and name HA ) 2.6 0.8 0.8 volume=0.673 peak=87 ppm1=3.086 ppm2=4.146 assign ( resid 2113 and name HB2 ) ( resid 2113 and name H ) 2.5 0.8 0.8 volume=0.890 peak=153 ppm1=2.692 ppm2=8.571 assign ( resid 2094 and name HG2# ) ( resid 2098 and name H ) 3.3 1.3 1.3 volume=0.172 peak=984 ppm1=0.713 ppm2=8.905 assign ( resid 2056 and name HG2 ) ( resid 2055 and name HA ) 3.6 1.6 1.6 volume=0.104 peak=1033 ppm1=2.293 ppm2=4.757 assign ( resid 2094 and name HG13 ) ( resid 2089 and name HD# ) 2.9 1.0 1.0 volume=0.390 peak=543 ppm1=1.467 ppm2=7.157 assign ( resid 2122 and name HD2 ) ( resid 2118 and name HD2# or resid 2128 and name HD2# ) 2.5 0.8 0.8 volume=0.933 peak=944 ppm1=6.801 ppm2=1.092 assign ( resid 2087 and name HA ) ( resid 2091 and name HB3 or resid 2091 and name HB2 ) 3.3 1.4 1.4 volume=0.164 peak=972 ppm1=4.016 ppm2=2.846 assign ( resid 2049 and name HA ) ( resid 2049 and name HG3 ) 2.5 0.8 0.8 volume=0.876 peak=484 ppm1=4.336 ppm2=2.498 assign ( resid 2112 and name HD1# ) ( resid 2112 and name H ) 2.5 0.8 0.8 volume=0.918 peak=781 ppm1=0.745 ppm2=7.665 assign ( resid 2117 and name HB ) ( resid 2120 and name HB2 ) 3.0 1.1 1.1 volume=0.288 peak=350 ppm1=4.828 ppm2=2.982 assign ( resid 2118 and name HG ) ( resid 2118 and name HA ) 3.0 1.1 1.1 volume=0.307 peak=868 ppm1=1.549 ppm2=4.069 assign ( resid 2088 and name HB# ) ( resid 2088 and name HA or resid 2124 and name HA or resid 2124 and name HB ) 1.9 0.5 0.5 volume=3.960 peak=61 ppm1=1.544 ppm2=4.461 assign ( resid 2118 and name HD2# ) ( resid 2118 and name HG ) 2.1 0.5 0.5 volume=2.797 peak=876 ppm1=1.102 ppm2=1.556 assign ( resid 2103 and name HD3 ) ( resid 2103 and name HG3 ) 2.7 0.9 0.9 volume=0.546 peak=457 ppm1=3.050 ppm2=1.953 assign ( resid 2135 and name HA ) ( resid 2138 and name HG3 or resid 2138 and name HG2 ) 2.9 1.0 1.0 volume=0.387 peak=460 ppm1=3.969 ppm2=2.422 assign ( resid 2057 and name HA ) ( resid 2057 and name HG3 or resid 2057 and name HG2 ) 2.2 0.6 0.6 volume=2.080 peak=158 ppm1=4.081 ppm2=2.461 assign ( resid 2133 and name HB2 ) ( resid 2063 and name HD1# ) 2.5 0.8 0.8 volume=0.805 peak=677 ppm1=2.987 ppm2=0.874 assign ( resid 2126 and name HB2 ) ( resid 2126 and name HD2 ) 3.3 1.3 1.3 volume=0.171 peak=694 ppm1=2.887 ppm2=6.929 assign ( resid 2114 and name HD2# ) ( resid 2114 and name HA ) 2.5 0.8 0.8 volume=0.830 peak=881 ppm1=0.915 ppm2=4.933 assign ( resid 2104 and name HB3 ) ( resid 2104 and name H ) 2.7 0.9 0.9 volume=0.563 peak=96 ppm1=2.893 ppm2=8.884 assign ( resid 2099 and name HA ) ( resid 2102 and name HD2# ) 2.8 1.0 1.0 volume=0.419 peak=34 ppm1=3.702 ppm2=0.489 assign ( resid 2101 and name HA ) ( resid 2104 and name H ) 2.8 1.0 1.0 volume=0.435 peak=219 ppm1=4.142 ppm2=8.888 assign ( resid 2055 and name HA ) ( resid 2055 and name HB3 ) 2.7 0.9 0.9 volume=0.513 peak=426 ppm1=4.755 ppm2=4.443 assign ( resid 2068 and name HB# ) ( resid 2067 and name HG2# or resid 2067 and name HG1# ) 2.7 0.9 0.9 volume=0.591 peak=16 ppm1=1.661 ppm2=1.105 assign ( resid 2109 and name HB3 ) ( resid 2066 and name HD1# or resid 2106 and name HD2# ) 2.6 0.8 0.8 volume=0.675 peak=113 ppm1=2.697 ppm2=0.798 assign ( resid 2126 and name HA ) ( resid 2126 and name HB3 or resid 2126 and name HB2 ) 2.4 0.7 0.7 volume=1.189 peak=1016 ppm1=4.284 ppm2=2.922 assign ( resid 2107 and name HA ) ( resid 2107 and name HB ) 2.4 0.7 0.7 volume=1.015 peak=383 ppm1=4.198 ppm2=4.338 assign ( resid 2102 and name HD2# ) ( resid 2102 and name HG ) 2.0 0.5 0.5 volume=3.273 peak=981 ppm1=0.490 ppm2=1.313 assign ( resid 2129 and name HA ) ( resid 2129 and name H ) 2.5 0.8 0.8 volume=0.903 peak=400 ppm1=4.410 ppm2=8.931 assign ( resid 2059 and name HB2 ) ( resid 2056 and name HA ) 3.2 1.3 1.3 volume=0.193 peak=190 ppm1=1.834 ppm2=4.377 assign ( resid 2060 and name HG3 ) ( resid 2060 and name HA ) 2.4 0.7 0.7 volume=1.172 peak=203 ppm1=2.126 ppm2=3.534 assign ( resid 2126 and name HB2 ) ( resid 2085 and name HB2 ) 2.8 1.0 1.0 volume=0.410 peak=703 ppm1=2.887 ppm2=1.973 assign ( resid 2072 and name HA ) ( resid 2073 and name H ) 3.2 1.3 1.3 volume=0.209 peak=37 ppm1=3.708 ppm2=8.191 assign ( resid 2085 and name HG3 ) ( resid 2086 and name H ) 2.9 1.1 1.1 volume=0.354 peak=618 ppm1=2.088 ppm2=7.608 assign ( resid 2104 and name HA ) ( resid 2104 and name HB3 ) 2.4 0.7 0.7 volume=1.130 peak=81 ppm1=4.408 ppm2=2.893 assign ( resid 2071 and name HB ) ( resid 2070 and name HB# ) 2.8 1.0 1.0 volume=0.401 peak=361 ppm1=3.690 ppm2=1.442 assign ( resid 2082 and name HB3 ) ( resid 2081 and name HG2 or resid 2081 and name HG3 ) 3.5 1.6 1.6 volume=0.109 peak=1027 ppm1=3.992 ppm2=2.316 assign ( resid 2080 and name HA ) ( resid 2081 and name H ) 3.0 1.1 1.1 volume=0.311 peak=582 ppm1=4.265 ppm2=9.071 assign ( resid 2085 and name HA ) ( resid 2085 and name HB3 ) 2.3 0.7 0.7 volume=1.397 peak=607 ppm1=4.226 ppm2=2.425 assign ( resid 2069 and name HA ) ( resid 2072 and name HB# ) 2.3 0.7 0.7 volume=1.335 peak=21 ppm1=4.082 ppm2=1.411 assign ( resid 2079 and name HG2# ) ( resid 2081 and name H ) 2.8 1.0 1.0 volume=0.403 peak=417 ppm1=1.222 ppm2=9.071 assign ( resid 2056 and name HA ) ( resid 2056 and name HB2 ) 2.5 0.8 0.8 volume=0.816 peak=553 ppm1=4.375 ppm2=2.011 assign ( resid 2126 and name HD2 ) ( resid 2126 and name HA ) 3.3 1.4 1.4 volume=0.152 peak=706 ppm1=6.931 ppm2=4.283 assign ( resid 2118 and name HD2# ) ( resid 2119 and name H ) 3.1 1.2 1.2 volume=0.253 peak=870 ppm1=1.102 ppm2=8.119 assign ( resid 2082 and name HA ) ( resid 2083 and name H ) 2.6 0.8 0.8 volume=0.696 peak=421 ppm1=4.435 ppm2=7.607 assign ( resid 2089 and name HB2 ) ( resid 2119 and name HG2# ) 3.1 1.2 1.2 volume=0.221 peak=913 ppm1=2.768 ppm2=0.284 assign ( resid 2126 and name HA ) ( resid 2127 and name H ) 3.0 1.1 1.1 volume=0.272 peak=404 ppm1=4.284 ppm2=8.435 assign ( resid 2112 and name HG ) ( resid 2113 and name H ) 3.6 1.6 1.6 volume=0.099 peak=779 ppm1=1.418 ppm2=8.586 assign ( resid 2120 and name HB3 ) ( resid 2120 and name H ) 2.6 0.8 0.8 volume=0.761 peak=885 ppm1=3.215 ppm2=7.513 assign ( resid 2106 and name HB3 ) ( resid 2106 and name H ) 2.7 0.9 0.9 volume=0.580 peak=792 ppm1=1.981 ppm2=8.294 assign ( resid 2048 and name HB2 ) ( resid 2048 and name HA ) 2.5 0.8 0.8 volume=0.836 peak=973 ppm1=3.110 ppm2=4.749 assign ( resid 2132 and name HG ) ( resid 2067 and name HG1# or resid 2128 and name HD2# ) 2.5 0.8 0.8 volume=0.813 peak=745 ppm1=2.109 ppm2=1.058 assign ( resid 2098 and name HA ) ( resid 2100 and name H ) 3.0 1.1 1.1 volume=0.274 peak=319 ppm1=4.082 ppm2=7.234 assign ( resid 2138 and name HB2 ) ( resid 2134 and name HG2# ) 2.6 0.9 0.9 volume=0.612 peak=247 ppm1=2.065 ppm2=1.223 assign ( resid 2119 and name HG12 ) ( resid 2119 and name HB ) 2.6 0.8 0.8 volume=0.761 peak=515 ppm1=1.105 ppm2=1.596 assign ( resid 2072 and name HB# ) ( resid 2080 and name HG3 or resid 2080 and name HB2 ) 2.2 0.6 0.6 volume=1.667 peak=39 ppm1=1.403 ppm2=2.149 assign ( resid 2104 and name HB2 ) ( resid 2104 and name HD22 ) 2.7 0.9 0.9 volume=0.561 peak=91 ppm1=3.084 ppm2=7.846 assign ( resid 2070 and name HB# ) ( resid 2070 and name HA ) 1.9 0.4 0.4 volume=4.709 peak=26 ppm1=1.449 ppm2=4.180 assign ( resid 2060 and name HA ) ( resid 2064 and name HB# ) 3.1 1.2 1.2 volume=0.218 peak=198 ppm1=3.537 ppm2=1.573 assign ( resid 2075 and name HA ) ( resid 2075 and name H ) 2.6 0.8 0.8 volume=0.749 peak=826 ppm1=4.312 ppm2=7.684 assign ( resid 2054 and name HD2# ) ( resid 2055 and name H ) 2.7 0.9 0.9 volume=0.586 peak=862 ppm1=0.826 ppm2=9.052 assign ( resid 2060 and name HB3 ) ( resid 2060 and name HE22 ) 3.2 1.2 1.2 volume=0.213 peak=202 ppm1=2.116 ppm2=7.062 assign ( resid 2077 and name HE1 ) ( resid 2072 and name HA ) 3.5 1.5 1.5 volume=0.121 peak=955 ppm1=7.688 ppm2=3.709 assign ( resid 2048 and name HB2 ) ( resid 2136 and name HD2# ) 2.8 1.0 1.0 volume=0.411 peak=962 ppm1=3.109 ppm2=0.966 assign ( resid 2060 and name HG2 ) ( resid 2060 and name HE21 ) 3.3 1.4 1.4 volume=0.149 peak=212 ppm1=1.952 ppm2=6.827 assign ( resid 2126 and name HA ) ( resid 2127 and name HB# ) 3.6 1.6 1.6 volume=0.101 peak=709 ppm1=4.281 ppm2=1.707 assign ( resid 2136 and name HG ) ( resid 2136 and name HA ) 2.7 0.9 0.9 volume=0.602 peak=748 ppm1=1.767 ppm2=4.236 assign ( resid 2108 and name HB3 ) ( resid 2108 and name HD2 ) 3.0 1.1 1.1 volume=0.310 peak=722 ppm1=3.345 ppm2=7.032 assign ( resid 2138 and name HG3 or resid 2138 and name HG2 ) ( resid 2138 and name H ) 2.5 0.8 0.8 volume=0.820 peak=240 ppm1=2.422 ppm2=7.744 assign ( resid 2120 and name HE# ) ( resid 2117 and name HA ) 3.0 1.1 1.1 volume=0.290 peak=897 ppm1=7.296 ppm2=4.259 assign ( resid 2086 and name HA ) ( resid 2086 and name H or resid 2087 and name H ) 2.4 0.7 0.7 volume=1.098 peak=51 ppm1=4.463 ppm2=7.596 assign ( resid 2112 and name HB2 ) ( resid 2113 and name H ) 3.2 1.3 1.3 volume=0.191 peak=772 ppm1=1.071 ppm2=8.573 assign ( resid 2080 and name HA ) ( resid 2072 and name HB# ) 2.2 0.6 0.6 volume=1.668 peak=576 ppm1=4.267 ppm2=1.409 assign ( resid 2080 and name HD3 ) ( resid 2079 and name HB ) 2.7 0.9 0.9 volume=0.543 peak=601 ppm1=3.944 ppm2=4.380 assign ( resid 2058 and name HG2 or resid 2058 and name HG3 ) ( resid 2058 and name HE22 ) 2.7 0.9 0.9 volume=0.603 peak=174 ppm1=2.477 ppm2=7.705 assign ( resid 2083 and name HG12 ) ( resid 2083 and name H ) 2.7 0.9 0.9 volume=0.501 peak=529 ppm1=1.459 ppm2=7.609 assign ( resid 2066 and name HD2# ) ( resid 2109 and name HB2 ) 2.4 0.7 0.7 volume=1.181 peak=841 ppm1=0.881 ppm2=2.853 assign ( resid 2097 and name HA ) ( resid 2097 and name HG or resid 2097 and name HB3 ) 2.1 0.5 0.5 volume=2.676 peak=395 ppm1=4.434 ppm2=1.735 assign ( resid 2104 and name HB3 ) ( resid 2105 and name H ) 2.9 1.1 1.1 volume=0.320 peak=93 ppm1=2.893 ppm2=8.544 assign ( resid 2072 and name HA ) ( resid 2077 and name HD2 ) 3.7 1.7 1.7 volume=0.080 peak=975 ppm1=3.711 ppm2=6.886 assign ( resid 2071 and name HB ) ( resid 2074 and name HB ) 3.1 1.2 1.2 volume=0.234 peak=365 ppm1=3.689 ppm2=2.211 assign ( resid 2133 and name HB3 ) ( resid 2129 and name HG2# ) 3.4 1.4 1.4 volume=0.141 peak=986 ppm1=3.290 ppm2=1.098 assign ( resid 2113 and name HB3 ) ( resid 2114 and name H ) 2.9 1.1 1.1 volume=0.330 peak=152 ppm1=2.543 ppm2=7.910 assign ( resid 2074 and name HB ) ( resid 2074 and name HG2# or resid 2074 and name HG1# ) 2.0 0.5 0.5 volume=2.891 peak=1002 ppm1=2.213 ppm2=1.022 assign ( resid 2106 and name HD1# ) ( resid 2103 and name HA ) 2.7 0.9 0.9 volume=0.559 peak=947 ppm1=0.811 ppm2=3.699 assign ( resid 2072 and name HB# ) ( resid 2069 and name HA ) 2.2 0.6 0.6 volume=1.998 peak=43 ppm1=1.403 ppm2=4.075 assign ( resid 2103 and name HA ) ( resid 2114 and name HD2# or resid 2118 and name HD1# ) 2.4 0.7 0.7 volume=1.147 peak=453 ppm1=3.703 ppm2=0.912 assign ( resid 2057 and name HA ) ( resid 2057 and name H ) 2.8 1.0 1.0 volume=0.405 peak=160 ppm1=4.082 ppm2=8.526 assign ( resid 2089 and name HA ) ( resid 2094 and name HG12 or resid 2094 and name HG13 ) 3.0 1.1 1.1 volume=0.290 peak=903 ppm1=4.183 ppm2=1.441 assign ( resid 2128 and name HD1# ) ( resid 2128 and name HB3 ) 2.3 0.7 0.7 volume=1.436 peak=765 ppm1=1.008 ppm2=2.242 assign ( resid 2072 and name HB# ) ( resid 2078 and name HB3 ) 3.2 1.3 1.3 volume=0.194 peak=1025 ppm1=1.403 ppm2=3.251 assign ( resid 2108 and name HA ) ( resid 2109 and name H ) 2.7 0.9 0.9 volume=0.590 peak=714 ppm1=4.388 ppm2=8.242 assign ( resid 2099 and name HB# ) ( resid 2100 and name H ) 2.2 0.6 0.6 volume=1.774 peak=65 ppm1=1.254 ppm2=7.238 assign ( resid 2117 and name HA ) ( resid 2120 and name HD# ) 2.6 0.8 0.8 volume=0.757 peak=347 ppm1=4.261 ppm2=7.183 assign ( resid 2067 and name HG1# ) ( resid 2067 and name HA ) 1.9 0.4 0.4 volume=4.528 peak=495 ppm1=1.068 ppm2=3.530 assign ( resid 2110 and name HG2# ) ( resid 2110 and name HB ) 1.9 0.4 0.4 volume=4.730 peak=338 ppm1=1.262 ppm2=4.159 assign ( resid 2089 and name HE# ) ( resid 2128 and name HB3 ) 3.2 1.3 1.3 volume=0.209 peak=935 ppm1=7.645 ppm2=2.258 assign ( resid 2126 and name HB3 ) ( resid 2086 and name HA or resid 2124 and name HB ) 3.0 1.1 1.1 volume=0.276 peak=696 ppm1=2.942 ppm2=4.451 assign ( resid 2083 and name HG2# ) ( resid 2071 and name H or resid 2073 and name H ) 3.1 1.2 1.2 volume=0.252 peak=537 ppm1=0.792 ppm2=8.207 assign ( resid 2080 and name HA ) ( resid 2069 and name H ) 3.8 1.8 1.8 volume=0.069 peak=1039 ppm1=4.268 ppm2=8.644 assign ( resid 2072 and name HA ) ( resid 2072 and name H ) 2.8 1.0 1.0 volume=0.462 peak=36 ppm1=3.708 ppm2=8.386 assign ( resid 2101 and name HG2 ) ( resid 2098 and name HG2# ) 2.9 1.0 1.0 volume=0.369 peak=275 ppm1=2.415 ppm2=1.399 assign ( resid 2089 and name HB3 ) ( resid 2089 and name HD# ) 2.7 0.9 0.9 volume=0.510 peak=125 ppm1=2.852 ppm2=7.158 assign ( resid 2071 and name HG2# ) ( resid 2089 and name HD# ) 2.4 0.7 0.7 volume=1.053 peak=288 ppm1=1.258 ppm2=7.158 assign ( resid 2109 and name HA ) ( resid 2109 and name H ) 2.4 0.7 0.7 volume=0.984 peak=101 ppm1=4.609 ppm2=8.241 assign ( resid 2131 and name HD2 ) ( resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.8 1.0 1.0 volume=0.452 peak=689 ppm1=6.055 ppm2=0.801 assign ( resid 2103 and name HA ) ( resid 2102 and name HD2# ) 3.6 1.6 1.6 volume=0.093 peak=454 ppm1=3.703 ppm2=0.488 assign ( resid 2059 and name HB2 ) ( resid 2133 and name HD2 ) 3.1 1.2 1.2 volume=0.257 peak=191 ppm1=1.833 ppm2=6.649 assign ( resid 2060 and name HG3 ) ( resid 2060 and name HE22 ) 2.6 0.9 0.9 volume=0.618 peak=209 ppm1=2.127 ppm2=7.061 assign ( resid 2120 and name HD# ) ( resid 2120 and name HB2 ) 2.6 0.9 0.9 volume=0.610 peak=894 ppm1=7.180 ppm2=2.978 assign ( resid 2087 and name HB ) ( resid 2092 and name HD1# ) 2.6 0.8 0.8 volume=0.674 peak=297 ppm1=3.985 ppm2=0.785 assign ( resid 2085 and name HG2 ) ( resid 2086 and name H ) 2.9 1.1 1.1 volume=0.334 peak=619 ppm1=2.027 ppm2=7.609 assign ( resid 2104 and name HB2 ) ( resid 2104 and name HA ) 2.8 1.0 1.0 volume=0.454 peak=85 ppm1=3.085 ppm2=4.408 assign ( resid 2106 and name HA ) ( resid 2109 and name HB3 ) 2.8 1.0 1.0 volume=0.477 peak=795 ppm1=4.181 ppm2=2.696 assign ( resid 2082 and name HB3 ) ( resid 2082 and name HA ) 2.3 0.6 0.6 volume=1.520 peak=433 ppm1=3.991 ppm2=4.431 assign ( resid 2069 and name HA ) ( resid 2072 and name H ) 3.0 1.2 1.2 volume=0.267 peak=997 ppm1=4.081 ppm2=8.386 assign ( resid 2085 and name HD3 ) ( resid 2084 and name H ) 3.7 1.7 1.7 volume=0.079 peak=622 ppm1=4.071 ppm2=8.331 assign ( resid 2114 and name HG ) ( resid 2114 and name H ) 3.1 1.2 1.2 volume=0.241 peak=880 ppm1=1.596 ppm2=7.906 assign ( resid 2123 and name HB3 ) ( resid 2124 and name H ) 3.5 1.5 1.5 volume=0.120 peak=652 ppm1=2.414 ppm2=7.451 assign ( resid 2112 and name HD2# ) ( resid 2113 and name H ) 2.6 0.8 0.8 volume=0.755 peak=783 ppm1=0.673 ppm2=8.571 assign ( resid 2112 and name HB2 ) ( resid 2112 and name HA ) 2.8 1.0 1.0 volume=0.459 peak=774 ppm1=1.069 ppm2=4.292 assign ( resid 2058 and name HA ) ( resid 2058 and name H ) 2.6 0.8 0.8 volume=0.669 peak=170 ppm1=4.166 ppm2=7.942 assign ( resid 2072 and name HB# ) ( resid 2078 and name HA ) 2.9 1.1 1.1 volume=0.332 peak=49 ppm1=1.403 ppm2=4.542 assign ( resid 2056 and name HA ) ( resid 2057 and name H ) 3.7 1.7 1.7 volume=0.087 peak=572 ppm1=4.375 ppm2=8.527 assign ( resid 2056 and name HA ) ( resid 2059 and name HG2 ) 3.2 1.3 1.3 volume=0.184 peak=559 ppm1=4.376 ppm2=2.842 assign ( resid 2109 and name HA ) ( resid 2109 and name HB2 ) 2.3 0.7 0.7 volume=1.388 peak=104 ppm1=4.607 ppm2=2.852 assign ( resid 2110 and name HA ) ( resid 2111 and name H ) 2.9 1.1 1.1 volume=0.320 peak=330 ppm1=4.538 ppm2=8.243 assign ( resid 2080 and name HB2 ) ( resid 2068 and name HB# ) 2.6 0.8 0.8 volume=0.719 peak=586 ppm1=2.157 ppm2=1.659 assign ( resid 2084 and name HB3 or resid 2084 and name HB2 ) ( resid 2084 and name H ) 2.3 0.6 0.6 volume=1.597 peak=308 ppm1=3.983 ppm2=8.330 assign ( resid 2056 and name HB3 ) ( resid 2133 and name HE1 ) 3.2 1.2 1.2 volume=0.213 peak=557 ppm1=2.504 ppm2=7.744 assign ( resid 2130 and name HG2 ) ( resid 2127 and name HA ) 2.8 1.0 1.0 volume=0.437 peak=238 ppm1=2.161 ppm2=4.149 assign ( resid 2056 and name HG2 ) ( resid 2056 and name HA ) 2.8 1.0 1.0 volume=0.431 peak=561 ppm1=2.293 ppm2=4.378 assign ( resid 2129 and name HG2# ) ( resid 2060 and name HA or resid 2129 and name HB ) 2.0 0.5 0.5 volume=3.389 peak=408 ppm1=1.100 ppm2=3.540 assign ( resid 2098 and name HA ) ( resid 2098 and name HG2# ) 2.1 0.5 0.5 volume=2.732 peak=324 ppm1=4.082 ppm2=1.393 assign ( resid 2132 and name HD1# ) ( resid 2113 and name H or resid 2132 and name H ) 2.4 0.7 0.7 volume=1.087 peak=744 ppm1=0.801 ppm2=8.600 assign ( resid 2054 and name HB2 ) ( resid 2054 and name HA ) 2.9 1.1 1.1 volume=0.338 peak=854 ppm1=1.554 ppm2=4.671 assign ( resid 2119 and name HG12 ) ( resid 2102 and name HD2# ) 3.0 1.1 1.1 volume=0.315 peak=516 ppm1=1.105 ppm2=0.485 assign ( resid 2110 and name HG2# ) ( resid 2109 and name HB3 ) 2.6 0.9 0.9 volume=0.654 peak=344 ppm1=1.262 ppm2=2.697 assign ( resid 2133 and name HA ) ( resid 2136 and name HG or resid 2136 and name HB3 ) 2.8 1.0 1.0 volume=0.449 peak=523 ppm1=3.861 ppm2=1.783 assign ( resid 2083 and name HD1# ) ( resid 2071 and name HG2# ) 2.0 0.5 0.5 volume=3.741 peak=535 ppm1=0.746 ppm2=1.256 assign ( resid 2133 and name HA ) ( resid 2134 and name H ) 3.3 1.4 1.4 volume=0.165 peak=525 ppm1=3.864 ppm2=8.268 assign ( resid 2118 and name HA ) ( resid 2118 and name HD2# ) 2.2 0.6 0.6 volume=1.910 peak=863 ppm1=4.069 ppm2=1.099 assign ( resid 2105 and name HA ) ( resid 2108 and name HB2 or resid 2108 and name HB3 ) 2.6 0.8 0.8 volume=0.746 peak=379 ppm1=4.131 ppm2=3.321 assign ( resid 2089 and name HE# ) ( resid 2128 and name HD2# or resid 2128 and name HD1# ) 2.6 0.9 0.9 volume=0.619 peak=928 ppm1=7.645 ppm2=1.021 assign ( resid 2090 and name HG3 ) ( resid 2090 and name HE2 or resid 2090 and name HE3 ) 2.3 0.7 0.7 volume=1.476 peak=478 ppm1=1.479 ppm2=3.045 assign ( resid 2086 and name HB# ) ( resid 2086 and name HA ) 1.7 0.4 0.4 volume=7.498 peak=54 ppm1=1.334 ppm2=4.461 assign ( resid 2097 and name HB2 ) ( resid 2097 and name H ) 2.3 0.7 0.7 volume=1.264 peak=743 ppm1=2.041 ppm2=8.285 assign ( resid 2113 and name HB3 ) ( resid 2113 and name HA ) 2.4 0.7 0.7 volume=1.146 peak=156 ppm1=2.542 ppm2=4.635 assign ( resid 2090 and name HA ) ( resid 2090 and name HG3 or resid 2090 and name HG2 ) 2.3 0.7 0.7 volume=1.327 peak=471 ppm1=4.319 ppm2=1.529 assign ( resid 2089 and name HB3 ) ( resid 2089 and name HA ) 2.9 1.1 1.1 volume=0.353 peak=129 ppm1=2.854 ppm2=4.182 assign ( resid 2111 and name HA2 ) ( resid 2112 and name H ) 2.9 1.1 1.1 volume=0.330 peak=75 ppm1=3.792 ppm2=7.677 assign ( resid 2085 and name HA ) ( resid 2125 and name HD2 ) 3.2 1.2 1.2 volume=0.211 peak=609 ppm1=4.224 ppm2=2.554 assign ( resid 2066 and name HD1# ) ( resid 2067 and name HA ) 2.8 1.0 1.0 volume=0.410 peak=840 ppm1=0.805 ppm2=3.529 assign ( resid 2075 and name HG ) ( resid 2075 and name HA ) 2.8 1.0 1.0 volume=0.454 peak=830 ppm1=1.770 ppm2=4.312 assign ( resid 2090 and name HB3 ) ( resid 2090 and name HA ) 2.3 0.6 0.6 volume=1.534 peak=475 ppm1=1.779 ppm2=4.315 assign ( resid 2080 and name HD3 ) ( resid 2079 and name HA ) 2.6 0.8 0.8 volume=0.679 peak=602 ppm1=3.945 ppm2=4.931 assign ( resid 2080 and name HB3 ) ( resid 2080 and name HD2 ) 2.9 1.1 1.1 volume=0.352 peak=585 ppm1=2.091 ppm2=3.719 assign ( resid 2101 and name HG3 ) ( resid 2102 and name H ) 3.0 1.1 1.1 volume=0.311 peak=270 ppm1=2.276 ppm2=8.594 assign ( resid 2110 and name HG2# ) ( resid 2110 and name HA ) 1.9 0.4 0.4 volume=4.787 peak=336 ppm1=1.261 ppm2=4.550 assign ( resid 2128 and name HD2# ) ( resid 2089 and name HE# ) 2.9 1.0 1.0 volume=0.381 peak=759 ppm1=1.050 ppm2=7.645 assign ( resid 2113 and name HA ) ( resid 2114 and name H ) 2.2 0.6 0.6 volume=1.960 peak=144 ppm1=4.637 ppm2=7.909 assign ( resid 2107 and name HA ) ( resid 2112 and name H ) 2.8 1.0 1.0 volume=0.404 peak=382 ppm1=4.199 ppm2=7.668 assign ( resid 2089 and name HE# ) ( resid 2089 and name HZ ) 2.5 0.8 0.8 volume=0.865 peak=923 ppm1=7.645 ppm2=6.915 assign ( resid 2085 and name HD2 ) ( resid 2085 and name HB3 ) 2.9 1.0 1.0 volume=0.372 peak=628 ppm1=3.833 ppm2=2.428 assign ( resid 2060 and name HG3 ) ( resid 2060 and name H ) 2.4 0.7 0.7 volume=1.112 peak=206 ppm1=2.126 ppm2=7.982 assign ( resid 2129 and name HB ) ( resid 2067 and name HG2# or resid 2067 and name HG1# or resid 2129 and name HG2# ) 2.2 0.6 0.6 volume=2.019 peak=980 ppm1=3.547 ppm2=1.089 assign ( resid 2130 and name HG3 ) ( resid 2127 and name HA ) 2.8 0.9 0.9 volume=0.483 peak=237 ppm1=2.232 ppm2=4.152 assign ( resid 2123 and name HD3 ) ( resid 2127 and name HB# ) 2.7 0.9 0.9 volume=0.516 peak=657 ppm1=3.422 ppm2=1.718 assign ( resid 2133 and name HD2 ) ( resid 2059 and name HB3 ) 3.2 1.3 1.3 volume=0.182 peak=682 ppm1=6.651 ppm2=2.593 assign ( resid 2061 and name HG3 ) ( resid 2061 and name H ) 2.6 0.8 0.8 volume=0.680 peak=223 ppm1=2.518 ppm2=8.113 assign ( resid 2061 and name HB2 ) ( resid 2064 and name HB# ) 2.9 1.0 1.0 volume=0.369 peak=229 ppm1=2.152 ppm2=1.569 assign ( resid 2129 and name HG2# ) ( resid 2133 and name HB3 ) 3.1 1.2 1.2 volume=0.225 peak=410 ppm1=1.099 ppm2=3.287 assign ( resid 2085 and name HD3 ) ( resid 2085 and name HD2 ) 2.1 0.6 0.6 volume=2.236 peak=626 ppm1=4.072 ppm2=3.833 assign ( resid 2080 and name HA ) ( resid 2072 and name H ) 3.5 1.5 1.5 volume=0.121 peak=580 ppm1=4.267 ppm2=8.390 assign ( resid 2127 and name HB# ) ( resid 2122 and name HB3 ) 2.7 0.9 0.9 volume=0.548 peak=68 ppm1=1.716 ppm2=3.162 assign ( resid 2074 and name HA ) ( resid 2075 and name H ) 2.9 1.1 1.1 volume=0.335 peak=502 ppm1=4.001 ppm2=7.682 assign ( resid 2115 and name HG3 ) ( resid 2118 and name H ) 3.0 1.1 1.1 volume=0.292 peak=638 ppm1=1.917 ppm2=7.366 assign ( resid 2071 and name HG2# ) ( resid 2089 and name HE# ) 2.3 0.6 0.6 volume=1.533 peak=287 ppm1=1.258 ppm2=7.648 assign ( resid 2126 and name HD2 ) ( resid 2127 and name H ) 3.3 1.4 1.4 volume=0.159 peak=705 ppm1=6.930 ppm2=8.434 assign ( resid 2090 and name HE2 or resid 2090 and name HE3 ) ( resid 2090 and name HG3 or resid 2090 and name HG2 ) 2.0 0.5 0.5 volume=3.012 peak=989 ppm1=3.043 ppm2=1.519 assign ( resid 2125 and name HB2 ) ( resid 2089 and name HZ ) 3.4 1.5 1.5 volume=0.132 peak=660 ppm1=2.297 ppm2=6.914 assign ( resid 2097 and name HG ) ( resid 2098 and name H ) 2.8 1.0 1.0 volume=0.457 peak=821 ppm1=1.733 ppm2=8.915 assign ( resid 2129 and name HA ) ( resid 2129 and name HB ) 2.9 1.1 1.1 volume=0.335 peak=976 ppm1=4.411 ppm2=3.540 assign ( resid 2105 and name HA ) ( resid 2105 and name HG2# ) 2.1 0.6 0.6 volume=2.211 peak=374 ppm1=4.131 ppm2=1.317 assign ( resid 2118 and name HD2# ) ( resid 2115 and name HD2 ) 2.5 0.8 0.8 volume=0.889 peak=875 ppm1=1.102 ppm2=3.709 assign ( resid 2086 and name HA ) ( resid 2086 and name HB# ) 1.9 0.4 0.4 volume=5.147 peak=50 ppm1=4.462 ppm2=1.335 assign ( resid 2048 and name HA ) ( resid 2048 and name HB3 or resid 2048 and name HB2 ) 2.2 0.6 0.6 volume=2.024 peak=1001 ppm1=4.748 ppm2=3.090 assign ( resid 2094 and name HG13 ) ( resid 2094 and name H ) 2.6 0.9 0.9 volume=0.648 peak=541 ppm1=1.461 ppm2=7.589 assign ( resid 2117 and name HB ) ( resid 2120 and name HB3 ) 3.0 1.1 1.1 volume=0.280 peak=351 ppm1=4.827 ppm2=3.211 assign ( resid 2129 and name HG2# ) ( resid 2064 and name HA ) 2.1 0.6 0.6 volume=2.421 peak=414 ppm1=1.099 ppm2=4.216 assign ( resid 2079 and name HB ) ( resid 2080 and name HD2 ) 2.6 0.9 0.9 volume=0.654 peak=672 ppm1=4.379 ppm2=3.720 assign ( resid 2066 and name HA ) ( resid 2064 and name HB# or resid 2066 and name HG or resid 2136 and name HB2 ) 2.3 0.6 0.6 volume=1.620 peak=835 ppm1=4.238 ppm2=1.570 assign ( resid 2091 and name HA ) ( resid 2088 and name HB# or resid 2090 and name HG2 ) 2.7 0.9 0.9 volume=0.513 peak=137 ppm1=4.636 ppm2=1.537 assign ( resid 2073 and name HA ) ( resid 2074 and name H or resid 2078 and name HE1 ) 2.7 0.9 0.9 volume=0.501 peak=370 ppm1=3.933 ppm2=7.907 assign ( resid 2087 and name HG2# ) ( resid 2088 and name H ) 2.1 0.6 0.6 volume=2.177 peak=292 ppm1=1.367 ppm2=8.788 assign ( resid 2089 and name HB2 ) ( resid 2094 and name HG12 or resid 2094 and name HG13 ) 3.2 1.3 1.3 volume=0.198 peak=909 ppm1=2.765 ppm2=1.455 assign ( resid 2123 and name HD3 ) ( resid 2122 and name H ) 3.3 1.4 1.4 volume=0.150 peak=654 ppm1=3.421 ppm2=7.322 assign ( resid 2054 and name HD2# ) ( resid 2058 and name HG2 or resid 2058 and name HG3 or resid 2058 and name HB3 ) 2.3 0.7 0.7 volume=1.339 peak=833 ppm1=0.825 ppm2=2.464 assign ( resid 2108 and name HA ) ( resid 2108 and name HD2 ) 3.2 1.3 1.3 volume=0.206 peak=716 ppm1=4.388 ppm2=7.029 assign ( resid 2084 and name HB3 or resid 2084 and name HB2 ) ( resid 2084 and name HA ) 2.5 0.8 0.8 volume=0.772 peak=307 ppm1=3.983 ppm2=4.879 assign ( resid 2049 and name HA ) ( resid 2049 and name HG2 ) 2.5 0.8 0.8 volume=0.786 peak=485 ppm1=4.337 ppm2=2.410 assign ( resid 2123 and name HB2 ) ( resid 2124 and name H ) 3.6 1.6 1.6 volume=0.093 peak=650 ppm1=2.341 ppm2=7.456 assign ( resid 2072 and name HA ) ( resid 2072 and name HB# ) 2.2 0.6 0.6 volume=2.090 peak=32 ppm1=3.708 ppm2=1.405 assign ( resid 2056 and name HD3 ) ( resid 2055 and name HB3 or resid 2056 and name HA ) 2.9 1.1 1.1 volume=0.327 peak=567 ppm1=3.958 ppm2=4.418 assign ( resid 2054 and name HB3 ) ( resid 2058 and name HB2 ) 3.1 1.2 1.2 volume=0.221 peak=857 ppm1=1.876 ppm2=2.086 assign ( resid 2123 and name HB3 ) ( resid 2088 and name HB# ) 3.0 1.2 1.2 volume=0.263 peak=649 ppm1=2.405 ppm2=1.539 assign ( resid 2123 and name HA ) ( resid 2089 and name HD# ) 2.3 0.7 0.7 volume=1.360 peak=645 ppm1=5.187 ppm2=7.156 assign ( resid 2108 and name HD2 ) ( resid 2109 and name H ) 3.3 1.3 1.3 volume=0.169 peak=731 ppm1=7.029 ppm2=8.246 assign ( resid 2085 and name HA ) ( resid 2125 and name HB2 ) 2.5 0.8 0.8 volume=0.782 peak=608 ppm1=4.226 ppm2=2.297 assign ( resid 2097 and name HA ) ( resid 2097 and name HB2 ) 2.3 0.7 0.7 volume=1.477 peak=393 ppm1=4.434 ppm2=2.040 assign ( resid 2078 and name HA ) ( resid 2078 and name HB3 ) 2.5 0.8 0.8 volume=0.814 peak=732 ppm1=4.551 ppm2=3.251 assign ( resid 2083 and name HB ) ( resid 2083 and name HG2# ) 2.1 0.6 0.6 volume=2.332 peak=528 ppm1=2.198 ppm2=0.784 assign ( resid 2091 and name HA ) ( resid 2090 and name HB3 or resid 2090 and name HD3 or resid 2090 and name HD2 ) 2.9 1.1 1.1 volume=0.320 peak=138 ppm1=4.634 ppm2=1.765 assign ( resid 2118 and name HD2# ) ( resid 2122 and name HD2 ) 2.3 0.6 0.6 volume=1.524 peak=873 ppm1=1.101 ppm2=6.802 assign ( resid 2067 and name HA ) ( resid 2070 and name HB# ) 2.4 0.7 0.7 volume=1.205 peak=491 ppm1=3.529 ppm2=1.449 assign ( resid 2056 and name HA ) ( resid 2059 and name HB2 ) 2.9 1.0 1.0 volume=0.381 peak=554 ppm1=4.373 ppm2=1.839 assign ( resid 2110 and name HA ) ( resid 2112 and name H ) 3.3 1.4 1.4 volume=0.150 peak=333 ppm1=4.541 ppm2=7.666 assign ( resid 2056 and name HA ) ( resid 2059 and name H ) 3.0 1.1 1.1 volume=0.277 peak=558 ppm1=4.374 ppm2=9.122 assign ( resid 2133 and name HD2 ) ( resid 2059 and name HB2 ) 2.9 1.0 1.0 volume=0.387 peak=681 ppm1=6.650 ppm2=1.828 assign ( resid 2085 and name HB2 ) ( resid 2126 and name H ) 2.9 1.1 1.1 volume=0.336 peak=612 ppm1=1.970 ppm2=9.069 assign ( resid 2083 and name HG12 ) ( resid 2083 and name HB ) 2.5 0.8 0.8 volume=0.837 peak=532 ppm1=1.459 ppm2=2.195 assign ( resid 2050 and name HB3 ) ( resid 2050 and name HD3 or resid 2050 and name HD2 ) 2.4 0.7 0.7 volume=1.073 peak=447 ppm1=1.939 ppm2=3.218 assign ( resid 2125 and name HD3 ) ( resid 2089 and name H ) 3.6 1.6 1.6 volume=0.093 peak=662 ppm1=3.769 ppm2=8.649 assign ( resid 2101 and name HG2 ) ( resid 2101 and name H ) 2.4 0.7 0.7 volume=1.139 peak=271 ppm1=2.411 ppm2=7.550 assign ( resid 2064 and name HA ) ( resid 2064 and name H ) 2.4 0.7 0.7 volume=1.001 peak=6 ppm1=4.210 ppm2=8.905 assign ( resid 2098 and name HG2# ) ( resid 2100 and name H ) 3.3 1.4 1.4 volume=0.149 peak=320 ppm1=1.394 ppm2=7.235 assign ( resid 2118 and name HB2 ) ( resid 2118 and name HA ) 2.8 1.0 1.0 volume=0.400 peak=865 ppm1=1.718 ppm2=4.071 assign ( resid 2089 and name HD# ) ( resid 2102 and name HD2# ) 3.4 1.5 1.5 volume=0.126 peak=924 ppm1=7.154 ppm2=0.487 assign ( resid 2085 and name HD3 ) ( resid 2085 and name HB3 ) 3.0 1.1 1.1 volume=0.318 peak=627 ppm1=4.071 ppm2=2.426 assign ( resid 2067 and name HG1# ) ( resid 2067 and name H ) 2.1 0.5 0.5 volume=2.632 peak=494 ppm1=1.067 ppm2=8.819 assign ( resid 2110 and name HA ) ( resid 2110 and name HG2# ) 2.1 0.6 0.6 volume=2.402 peak=339 ppm1=4.539 ppm2=1.260 assign ( resid 2089 and name HZ ) ( resid 2102 and name HD2# ) 3.4 1.4 1.4 volume=0.138 peak=932 ppm1=6.911 ppm2=0.489 assign ( resid 2091 and name HB3 or resid 2091 and name HB2 ) ( resid 2087 and name HG2# ) 2.4 0.7 0.7 volume=1.064 peak=139 ppm1=2.836 ppm2=1.367 assign ( resid 2058 and name HG2 or resid 2058 and name HG3 ) ( resid 2058 and name HB2 ) 2.2 0.6 0.6 volume=1.873 peak=169 ppm1=2.476 ppm2=2.096 assign ( resid 2101 and name HG3 ) ( resid 2098 and name HG2# ) 3.0 1.1 1.1 volume=0.319 peak=276 ppm1=2.276 ppm2=1.391 assign ( resid 2100 and name HD1# ) ( resid 2101 and name H ) 2.8 1.0 1.0 volume=0.396 peak=820 ppm1=1.004 ppm2=7.550 assign ( resid 2125 and name HD2 ) ( resid 2089 and name H ) 3.5 1.5 1.5 volume=0.119 peak=663 ppm1=2.562 ppm2=8.653 assign ( resid 2112 and name HD1# ) ( resid 2110 and name HA ) 2.8 0.9 0.9 volume=0.483 peak=785 ppm1=0.746 ppm2=4.553 assign ( resid 2090 and name HD3 or resid 2090 and name HD2 ) ( resid 2090 and name HG3 or resid 2090 and name HG2 ) 1.8 0.4 0.4 volume=6.428 peak=1006 ppm1=1.763 ppm2=1.528 assign ( resid 2129 and name HG2# ) ( resid 2060 and name HE22 ) 2.7 0.9 0.9 volume=0.561 peak=405 ppm1=1.098 ppm2=7.061 assign ( resid 2060 and name HG2 ) ( resid 2060 and name HE22 ) 2.7 0.9 0.9 volume=0.552 peak=208 ppm1=1.949 ppm2=7.062 assign ( resid 2135 and name HD2 ) ( resid 2135 and name H ) 3.1 1.2 1.2 volume=0.250 peak=461 ppm1=2.915 ppm2=7.905 assign ( resid 2072 and name HB# ) ( resid 2083 and name HD1# ) 2.1 0.6 0.6 volume=2.457 peak=40 ppm1=1.403 ppm2=0.757 assign ( resid 2070 and name HB# ) ( resid 2071 and name HB ) 2.7 0.9 0.9 volume=0.521 peak=27 ppm1=1.447 ppm2=3.691 assign ( resid 2080 and name HD3 ) ( resid 2072 and name HB# ) 2.9 1.1 1.1 volume=0.341 peak=597 ppm1=3.945 ppm2=1.405 assign ( resid 2054 and name HA ) ( resid 2058 and name HG2 or resid 2058 and name HG3 or resid 2058 and name HB3 ) 2.9 1.0 1.0 volume=0.367 peak=855 ppm1=4.675 ppm2=2.470 assign ( resid 2085 and name HD2 ) ( resid 2084 and name HA ) 2.7 0.9 0.9 volume=0.586 peak=624 ppm1=3.832 ppm2=4.880 assign ( resid 2113 and name HA ) ( resid 2113 and name H ) 2.8 1.0 1.0 volume=0.418 peak=143 ppm1=4.636 ppm2=8.570 assign ( resid 2106 and name HD1# ) ( resid 2106 and name H ) 2.7 0.9 0.9 volume=0.551 peak=946 ppm1=0.812 ppm2=8.296 assign ( resid 2058 and name HG2 or resid 2058 and name HG3 ) ( resid 2054 and name HB3 ) 3.4 1.4 1.4 volume=0.139 peak=185 ppm1=2.485 ppm2=1.873 assign ( resid 2074 and name HA ) ( resid 2074 and name HB ) 2.2 0.6 0.6 volume=1.838 peak=503 ppm1=4.001 ppm2=2.209 assign ( resid 2102 and name HD2# ) ( resid 2089 and name HZ ) 2.9 1.1 1.1 volume=0.327 peak=813 ppm1=0.490 ppm2=6.916 assign ( resid 2099 and name HB# ) ( resid 2119 and name HG2# ) 2.3 0.6 0.6 volume=1.578 peak=64 ppm1=1.253 ppm2=0.280 assign ( resid 2080 and name HB3 ) ( resid 2068 and name HB# ) 2.5 0.8 0.8 volume=0.805 peak=587 ppm1=2.091 ppm2=1.661 assign ( resid 2109 and name HA ) ( resid 2109 and name HD22 ) 2.6 0.8 0.8 volume=0.709 peak=103 ppm1=4.609 ppm2=7.440 assign ( resid 2137 and name HG2# ) ( resid 2059 and name HE22 ) 2.8 1.0 1.0 volume=0.448 peak=353 ppm1=1.000 ppm2=7.103 assign ( resid 2117 and name HA ) ( resid 2120 and name HB2 ) 3.1 1.2 1.2 volume=0.223 peak=349 ppm1=4.261 ppm2=2.979 assign ( resid 2089 and name HB2 ) ( resid 2094 and name HG2# or resid 2094 and name HD1# ) 3.0 1.1 1.1 volume=0.318 peak=911 ppm1=2.765 ppm2=0.741 assign ( resid 2138 and name HB3 ) ( resid 2138 and name H ) 2.5 0.8 0.8 volume=0.782 peak=244 ppm1=2.147 ppm2=7.752 assign ( resid 2118 and name HD1# ) ( resid 2119 and name HD1# ) 2.3 0.6 0.6 volume=1.529 peak=877 ppm1=0.927 ppm2=0.206 assign ( resid 2133 and name HE1 ) ( resid 2056 and name HB3 ) 3.3 1.4 1.4 volume=0.161 peak=713 ppm1=7.745 ppm2=2.504 assign ( resid 2082 and name HB3 ) ( resid 2082 and name HB2 ) 1.9 0.4 0.4 volume=4.602 peak=434 ppm1=3.990 ppm2=3.868 assign ( resid 2138 and name HB3 ) ( resid 2134 and name HG2# ) 2.9 1.0 1.0 volume=0.383 peak=248 ppm1=2.146 ppm2=1.223 assign ( resid 2089 and name HZ ) ( resid 2089 and name HD# ) 3.3 1.3 1.3 volume=0.170 peak=919 ppm1=6.913 ppm2=7.156 assign ( resid 2050 and name HG3 ) ( resid 2050 and name HD3 or resid 2050 and name HD2 ) 2.0 0.5 0.5 volume=3.133 peak=449 ppm1=1.628 ppm2=3.216 assign ( resid 2102 and name HD2# ) ( resid 2071 and name H ) 3.1 1.2 1.2 volume=0.253 peak=812 ppm1=0.490 ppm2=8.202 assign ( resid 2056 and name HD3 ) ( resid 2057 and name H ) 3.5 1.6 1.6 volume=0.109 peak=569 ppm1=3.957 ppm2=8.524 assign ( resid 2128 and name HA ) ( resid 2122 and name HB3 ) 2.8 1.0 1.0 volume=0.432 peak=752 ppm1=4.087 ppm2=3.162 assign ( resid 2089 and name HB3 ) ( resid 2094 and name H ) 3.5 1.5 1.5 volume=0.121 peak=127 ppm1=2.857 ppm2=7.612 assign ( resid 2067 and name HA ) ( resid 2068 and name H or resid 2070 and name H ) 2.6 0.8 0.8 volume=0.706 peak=490 ppm1=3.529 ppm2=8.568 assign ( resid 2113 and name HB2 ) ( resid 2113 and name HA ) 2.4 0.7 0.7 volume=1.042 peak=155 ppm1=2.692 ppm2=4.635 assign ( resid 2052 and name HB3 or resid 2052 and name HB2 ) ( resid 2052 and name HA ) 2.3 0.6 0.6 volume=1.512 peak=132 ppm1=2.776 ppm2=4.476 assign ( resid 2059 and name HG3 ) ( resid 2060 and name H ) 3.5 1.6 1.6 volume=0.110 peak=193 ppm1=2.341 ppm2=7.970 assign ( resid 2122 and name HB2 ) ( resid 2128 and name HD2# ) 2.7 0.9 0.9 volume=0.568 peak=942 ppm1=2.371 ppm2=1.051 assign ( resid 2083 and name HD1# ) ( resid 2077 and name HE1 or resid 2083 and name H ) 2.5 0.8 0.8 volume=0.862 peak=1038 ppm1=0.746 ppm2=7.661 assign ( resid 2049 and name HG3 ) ( resid 2110 and name HA ) 3.0 1.1 1.1 volume=0.279 peak=966 ppm1=2.500 ppm2=4.529 assign ( resid 2112 and name HD2# ) ( resid 2135 and name HD2 ) 3.3 1.3 1.3 volume=0.169 peak=985 ppm1=0.673 ppm2=2.909 assign ( resid 2110 and name HA ) ( resid 2110 and name H ) 2.7 0.9 0.9 volume=0.545 peak=328 ppm1=4.538 ppm2=8.018 assign ( resid 2050 and name HB2 ) ( resid 2050 and name HD3 or resid 2050 and name HD2 ) 2.4 0.7 0.7 volume=1.124 peak=446 ppm1=1.836 ppm2=3.217 assign ( resid 2068 and name HA ) ( resid 2071 and name H ) 2.9 1.0 1.0 volume=0.361 peak=11 ppm1=4.044 ppm2=8.202 assign ( resid 2112 and name HG ) ( resid 2112 and name H ) 2.6 0.9 0.9 volume=0.610 peak=667 ppm1=1.409 ppm2=7.666 assign ( resid 2101 and name HG2 ) ( resid 2100 and name H ) 3.4 1.4 1.4 volume=0.146 peak=273 ppm1=2.413 ppm2=7.236 assign ( resid 2064 and name HB# ) ( resid 2064 and name H ) 1.9 0.5 0.5 volume=4.264 peak=7 ppm1=1.573 ppm2=8.904 assign ( resid 2079 and name HB ) ( resid 2079 and name HG2# ) 2.0 0.5 0.5 volume=3.485 peak=418 ppm1=4.379 ppm2=1.222 assign ( resid 2104 and name HB2 ) ( resid 2104 and name H ) 2.7 0.9 0.9 volume=0.527 peak=95 ppm1=3.085 ppm2=8.884 assign ( resid 2118 and name HD2# ) ( resid 2118 and name H ) 2.6 0.8 0.8 volume=0.713 peak=872 ppm1=1.101 ppm2=7.360 assign ( resid 2112 and name HG ) ( resid 2110 and name HA ) 3.2 1.3 1.3 volume=0.179 peak=780 ppm1=1.412 ppm2=4.553 assign ( resid 2116 and name HB3 ) ( resid 2116 and name HB2 ) 1.8 0.4 0.4 volume=5.879 peak=668 ppm1=2.358 ppm2=2.106 assign ( resid 2108 and name HD2 ) ( resid 2105 and name HG2# or resid 2107 and name HG2# ) 3.1 1.2 1.2 volume=0.252 peak=728 ppm1=7.030 ppm2=1.320 assign ( resid 2135 and name HD3 ) ( resid 2135 and name H ) 3.0 1.1 1.1 volume=0.284 peak=462 ppm1=3.067 ppm2=7.904 assign ( resid 2057 and name HG3 or resid 2057 and name HG2 ) ( resid 2057 and name H ) 2.8 1.0 1.0 volume=0.394 peak=162 ppm1=2.459 ppm2=8.525 assign ( resid 2112 and name HB3 ) ( resid 2112 and name H ) 2.7 0.9 0.9 volume=0.504 peak=769 ppm1=1.589 ppm2=7.668 assign ( resid 2083 and name HD1# ) ( resid 2071 and name HB or resid 2072 and name HA ) 2.3 0.7 0.7 volume=1.249 peak=536 ppm1=0.747 ppm2=3.708 assign ( resid 2102 and name HD1# ) ( resid 2102 and name HD2# ) 1.8 0.4 0.4 volume=5.808 peak=802 ppm1=0.807 ppm2=0.489 assign ( resid 2085 and name HA ) ( resid 2126 and name H ) 2.8 1.0 1.0 volume=0.433 peak=581 ppm1=4.228 ppm2=9.072 assign ( resid 2094 and name HG12 ) ( resid 2089 and name HD# ) 2.9 1.0 1.0 volume=0.374 peak=544 ppm1=1.434 ppm2=7.158 assign ( resid 2119 and name HB ) ( resid 2119 and name HD1# ) 2.5 0.8 0.8 volume=0.889 peak=518 ppm1=1.596 ppm2=0.211 assign ( resid 2058 and name HG2 or resid 2058 and name HG3 ) ( resid 2054 and name HA ) 3.5 1.5 1.5 volume=0.117 peak=181 ppm1=2.478 ppm2=4.676 assign ( resid 2119 and name HD1# ) ( resid 2128 and name HD2# or resid 2128 and name HD1# ) 2.0 0.5 0.5 volume=3.780 peak=522 ppm1=0.209 ppm2=1.030 assign ( resid 2113 and name HA ) ( resid 2107 and name HG2# ) 2.5 0.8 0.8 volume=0.776 peak=148 ppm1=4.638 ppm2=1.324 assign ( resid 2077 and name HD2 ) ( resid 2077 and name HA ) 3.7 1.7 1.7 volume=0.082 peak=956 ppm1=6.883 ppm2=4.767 assign ( resid 2077 and name HE1 ) ( resid 2075 and name HD1# or resid 2083 and name HD1# ) 2.7 0.9 0.9 volume=0.523 peak=953 ppm1=7.688 ppm2=0.762 assign ( resid 2085 and name HD3 ) ( resid 2086 and name HB# ) 3.4 1.4 1.4 volume=0.146 peak=631 ppm1=4.073 ppm2=1.338 assign ( resid 2071 and name HA ) ( resid 2071 and name HB or resid 2072 and name HA ) 2.3 0.7 0.7 volume=1.292 peak=355 ppm1=4.331 ppm2=3.688 assign ( resid 2118 and name HB3 ) ( resid 2118 and name H ) 2.7 0.9 0.9 volume=0.581 peak=864 ppm1=2.053 ppm2=7.367 assign ( resid 2087 and name HB ) ( resid 2092 and name HD2# ) 2.6 0.8 0.8 volume=0.746 peak=296 ppm1=3.983 ppm2=0.922 assign ( resid 2055 and name HB3 ) ( resid 2055 and name H ) 3.1 1.2 1.2 volume=0.247 peak=428 ppm1=4.446 ppm2=9.050 assign ( resid 2094 and name HB ) ( resid 2090 and name HA ) 2.9 1.0 1.0 volume=0.368 peak=540 ppm1=1.730 ppm2=4.315 assign ( resid 2120 and name HB2 ) ( resid 2121 and name H ) 2.8 1.0 1.0 volume=0.464 peak=892 ppm1=2.978 ppm2=8.007 assign ( resid 2075 and name HG ) ( resid 2075 and name H ) 2.7 0.9 0.9 volume=0.514 peak=831 ppm1=1.769 ppm2=7.681 assign ( resid 2074 and name HA ) ( resid 2074 and name HG2# or resid 2074 and name HG1# ) 2.1 0.5 0.5 volume=2.617 peak=993 ppm1=4.001 ppm2=1.010 assign ( resid 2076 and name HA2 ) ( resid 2076 and name H ) 2.5 0.8 0.8 volume=0.818 peak=73 ppm1=3.783 ppm2=7.773 assign ( resid 2112 and name HB3 ) ( resid 2112 and name HA ) 2.9 1.1 1.1 volume=0.342 peak=773 ppm1=1.590 ppm2=4.291 assign ( resid 2124 and name HA ) ( resid 2125 and name HD3 ) 2.6 0.8 0.8 volume=0.681 peak=396 ppm1=4.446 ppm2=3.766 assign ( resid 2126 and name HB3 ) ( resid 2126 and name HD2 ) 3.2 1.3 1.3 volume=0.180 peak=695 ppm1=2.941 ppm2=6.925 assign ( resid 2115 and name HB2 ) ( resid 2118 and name H ) 3.4 1.5 1.5 volume=0.131 peak=635 ppm1=2.456 ppm2=7.367 assign ( resid 2087 and name HG2# ) ( resid 2092 and name H ) 2.6 0.8 0.8 volume=0.725 peak=293 ppm1=1.366 ppm2=7.820 assign ( resid 2060 and name HG2 ) ( resid 2060 and name HA ) 2.4 0.7 0.7 volume=1.183 peak=204 ppm1=1.949 ppm2=3.534 assign ( resid 2048 and name HA ) ( resid 2048 and name HD2 ) 2.7 0.9 0.9 volume=0.518 peak=963 ppm1=4.747 ppm2=6.949 assign ( resid 2060 and name HG3 ) ( resid 2133 and name HE1 ) 3.4 1.4 1.4 volume=0.138 peak=211 ppm1=2.128 ppm2=7.743 assign ( resid 2103 and name HD2 ) ( resid 2100 and name HA or resid 2116 and name HA ) 2.9 1.0 1.0 volume=0.365 peak=455 ppm1=3.228 ppm2=4.123 assign ( resid 2074 and name HB ) ( resid 2073 and name H ) 3.5 1.6 1.6 volume=0.108 peak=1007 ppm1=2.213 ppm2=8.202 assign ( resid 2049 and name HB2 ) ( resid 2049 and name HA ) 2.5 0.8 0.8 volume=0.903 peak=487 ppm1=2.004 ppm2=4.341 assign ( resid 2082 and name HA ) ( resid 2081 and name HG2 or resid 2081 and name HG3 ) 3.0 1.1 1.1 volume=0.312 peak=1009 ppm1=4.428 ppm2=2.321 assign ( resid 2098 and name HB ) ( resid 2098 and name HG2# ) 2.0 0.5 0.5 volume=3.224 peak=323 ppm1=4.212 ppm2=1.392 assign ( resid 2054 and name HA ) ( resid 2054 and name HB2 or resid 2054 and name HG ) 2.5 0.8 0.8 volume=0.955 peak=858 ppm1=4.672 ppm2=1.584 assign ( resid 2090 and name HA ) ( resid 2090 and name HB2 ) 2.1 0.6 0.6 volume=2.299 peak=469 ppm1=4.319 ppm2=1.967 assign ( resid 2098 and name HA ) ( resid 2098 and name H ) 2.6 0.9 0.9 volume=0.653 peak=318 ppm1=4.083 ppm2=8.914 assign ( resid 2089 and name HA ) ( resid 2089 and name HE# or resid 2094 and name H ) 3.1 1.2 1.2 volume=0.257 peak=442 ppm1=4.184 ppm2=7.626 assign ( resid 2082 and name HB2 ) ( resid 2083 and name H ) 3.2 1.2 1.2 volume=0.210 peak=435 ppm1=3.867 ppm2=7.602 assign ( resid 2080 and name HB2 ) ( resid 2080 and name HA ) 2.4 0.7 0.7 volume=1.113 peak=573 ppm1=2.157 ppm2=4.265 assign ( resid 2109 and name HB2 ) ( resid 2108 and name H or resid 2110 and name H ) 3.1 1.2 1.2 volume=0.257 peak=107 ppm1=2.848 ppm2=8.015 assign ( resid 2089 and name HB2 ) ( resid 2089 and name HD# ) 2.7 0.9 0.9 volume=0.498 peak=126 ppm1=2.767 ppm2=7.156 assign ( resid 2135 and name HD3 ) ( resid 2114 and name HD2# ) 3.0 1.1 1.1 volume=0.314 peak=467 ppm1=3.066 ppm2=0.909 assign ( resid 2073 and name HA ) ( resid 2076 and name H ) 3.1 1.2 1.2 volume=0.224 peak=373 ppm1=3.934 ppm2=7.770 assign ( resid 2081 and name HG2 or resid 2081 and name HG3 ) ( resid 2082 and name H ) 3.1 1.2 1.2 volume=0.248 peak=253 ppm1=2.321 ppm2=8.102 assign ( resid 2056 and name HB2 ) ( resid 2057 and name H ) 3.2 1.2 1.2 volume=0.212 peak=562 ppm1=2.019 ppm2=8.527 assign ( resid 2124 and name HB ) ( resid 2088 and name HB# ) 3.3 1.4 1.4 volume=0.154 peak=386 ppm1=4.448 ppm2=1.544 assign ( resid 2074 and name HG2# ) ( resid 2102 and name HD2# ) 2.7 0.9 0.9 volume=0.603 peak=982 ppm1=0.988 ppm2=0.485 assign ( resid 2110 and name HG2# ) ( resid 2110 and name H ) 2.2 0.6 0.6 volume=1.725 peak=332 ppm1=1.261 ppm2=8.016 assign ( resid 2089 and name HE# ) ( resid 2128 and name HB2 ) 3.1 1.2 1.2 volume=0.253 peak=936 ppm1=7.645 ppm2=2.002 assign ( resid 2121 and name HA ) ( resid 2122 and name HD2 ) 3.4 1.5 1.5 volume=0.133 peak=157 ppm1=4.057 ppm2=6.801 assign ( resid 2131 and name HE1 ) ( resid 2135 and name HG3 or resid 2135 and name HG2 ) 3.2 1.3 1.3 volume=0.179 peak=712 ppm1=7.743 ppm2=1.185 assign ( resid 2115 and name HD3 ) ( resid 2118 and name HD2# ) 2.8 1.0 1.0 volume=0.473 peak=643 ppm1=3.983 ppm2=1.100 assign ( resid 2054 and name HB3 ) ( resid 2054 and name HA ) 3.0 1.1 1.1 volume=0.288 peak=853 ppm1=1.875 ppm2=4.672 assign ( resid 2112 and name HD2# ) ( resid 2112 and name H ) 2.5 0.8 0.8 volume=0.868 peak=782 ppm1=0.673 ppm2=7.669 assign ( resid 2104 and name HB3 ) ( resid 2104 and name HD22 ) 2.6 0.9 0.9 volume=0.649 peak=92 ppm1=2.894 ppm2=7.847 assign ( resid 2073 and name HA ) ( resid 2073 and name H ) 2.5 0.8 0.8 volume=0.868 peak=369 ppm1=3.933 ppm2=8.189 assign ( resid 2102 and name HD2# ) ( resid 2070 and name HB# or resid 2094 and name HG13 or resid 2102 and name HB3 ) 2.1 0.5 0.5 volume=2.762 peak=816 ppm1=0.490 ppm2=1.457 assign ( resid 2089 and name HA ) ( resid 2092 and name H ) 2.9 1.0 1.0 volume=0.356 peak=441 ppm1=4.183 ppm2=7.820 assign ( resid 2104 and name HA ) ( resid 2104 and name HB2 ) 2.5 0.8 0.8 volume=0.836 peak=80 ppm1=4.408 ppm2=3.078 assign ( resid 2116 and name HA ) ( resid 2103 and name HD2 ) 3.2 1.3 1.3 volume=0.200 peak=632 ppm1=4.107 ppm2=3.226 assign ( resid 2088 and name HA ) ( resid 2088 and name H ) 2.7 0.9 0.9 volume=0.506 peak=57 ppm1=4.466 ppm2=8.789 assign ( resid 2057 and name HA ) ( resid 2059 and name H ) 3.6 1.6 1.6 volume=0.100 peak=1031 ppm1=4.079 ppm2=9.120 assign ( resid 2067 and name HB ) ( resid 2068 and name H ) 2.5 0.8 0.8 volume=0.857 peak=493 ppm1=2.260 ppm2=8.568 assign ( resid 2129 and name HG2# ) ( resid 2060 and name HE21 ) 3.3 1.4 1.4 volume=0.149 peak=1004 ppm1=1.101 ppm2=6.829 assign ( resid 2110 and name HA ) ( resid 2110 and name HB ) 2.2 0.6 0.6 volume=1.698 peak=337 ppm1=4.539 ppm2=4.153 assign ( resid 2057 and name HA ) ( resid 2060 and name H ) 2.7 0.9 0.9 volume=0.593 peak=161 ppm1=4.080 ppm2=7.980 assign ( resid 2085 and name HD2 ) ( resid 2084 and name H ) 3.6 1.6 1.6 volume=0.096 peak=621 ppm1=3.832 ppm2=8.331 assign ( resid 2106 and name HB3 ) ( resid 2107 and name H ) 3.3 1.4 1.4 volume=0.162 peak=797 ppm1=1.978 ppm2=9.162 assign ( resid 2061 and name HG2 ) ( resid 2061 and name H ) 2.5 0.8 0.8 volume=0.805 peak=222 ppm1=2.448 ppm2=8.113 assign ( resid 2061 and name HB3 ) ( resid 2064 and name HB# ) 3.0 1.1 1.1 volume=0.316 peak=228 ppm1=2.209 ppm2=1.573 assign ( resid 2070 and name HA ) ( resid 2105 and name HG2# ) 2.3 0.7 0.7 volume=1.470 peak=30 ppm1=4.176 ppm2=1.302 assign ( resid 2078 and name HB3 ) ( resid 2078 and name HD2 ) 3.1 1.2 1.2 volume=0.256 peak=734 ppm1=3.252 ppm2=6.966 assign ( resid 2118 and name HG ) ( resid 2118 and name HD2# ) 2.3 0.7 0.7 volume=1.331 peak=869 ppm1=1.548 ppm2=1.078 assign ( resid 2128 and name HD1# ) ( resid 2128 and name H or resid 2129 and name H ) 2.6 0.9 0.9 volume=0.627 peak=756 ppm1=1.007 ppm2=8.901 assign ( resid 2094 and name HD1# ) ( resid 2098 and name HB ) 2.3 0.6 0.6 volume=1.542 peak=550 ppm1=0.750 ppm2=4.204 assign ( resid 2112 and name HD2# ) ( resid 2135 and name HA ) 3.1 1.2 1.2 volume=0.236 peak=790 ppm1=0.673 ppm2=3.969 assign ( resid 2074 and name HG1# ) ( resid 2102 and name HD2# ) 2.4 0.7 0.7 volume=1.124 peak=510 ppm1=1.059 ppm2=0.488 assign ( resid 2110 and name HB ) ( resid 2112 and name HD1# ) 2.5 0.8 0.8 volume=0.834 peak=341 ppm1=4.155 ppm2=0.762 assign ( resid 2120 and name HB3 ) ( resid 2120 and name HD# ) 2.6 0.8 0.8 volume=0.723 peak=887 ppm1=3.215 ppm2=7.180 assign ( resid 2104 and name HB3 ) ( resid 2104 and name HB2 ) 2.2 0.6 0.6 volume=2.073 peak=84 ppm1=2.894 ppm2=3.086 assign ( resid 2098 and name HG2# ) ( resid 2101 and name H ) 2.8 1.0 1.0 volume=0.397 peak=317 ppm1=1.394 ppm2=7.554 assign ( resid 2085 and name HA ) ( resid 2086 and name H or resid 2087 and name H ) 2.9 1.1 1.1 volume=0.325 peak=603 ppm1=4.227 ppm2=7.599 assign ( resid 2066 and name HD2# ) ( resid 2109 and name HD22 ) 2.8 1.0 1.0 volume=0.443 peak=839 ppm1=0.880 ppm2=7.438 assign ( resid 2106 and name HB2 ) ( resid 2107 and name H ) 3.4 1.4 1.4 volume=0.145 peak=796 ppm1=1.088 ppm2=9.171 assign ( resid 2119 and name HD1# ) ( resid 2118 and name HD2# or resid 2119 and name HG12 ) 2.0 0.5 0.5 volume=3.435 peak=521 ppm1=0.210 ppm2=1.101 assign ( resid 2056 and name HD3 ) ( resid 2055 and name H ) 3.8 1.8 1.8 volume=0.072 peak=571 ppm1=3.955 ppm2=9.057 assign ( resid 2128 and name HA ) ( resid 2131 and name HB3 ) 3.1 1.2 1.2 volume=0.255 peak=754 ppm1=4.086 ppm2=2.524 assign ( resid 2080 and name HD3 ) ( resid 2080 and name HD2 ) 2.1 0.5 0.5 volume=2.471 peak=595 ppm1=3.946 ppm2=3.719 assign ( resid 2123 and name HB3 ) ( resid 2089 and name HD# ) 3.3 1.3 1.3 volume=0.170 peak=653 ppm1=2.415 ppm2=7.159 assign ( resid 2070 and name HB# ) ( resid 2067 and name HA ) 2.3 0.7 0.7 volume=1.368 peak=28 ppm1=1.449 ppm2=3.528 assign ( resid 2123 and name HD2 ) ( resid 2122 and name H ) 3.5 1.5 1.5 volume=0.122 peak=655 ppm1=3.670 ppm2=7.318 assign ( resid 2132 and name HD2# ) ( resid 2131 and name HD2 ) 2.4 0.7 0.7 volume=1.056 peak=747 ppm1=0.805 ppm2=6.057 assign ( resid 2090 and name HD3 or resid 2090 and name HD2 ) ( resid 2091 and name H ) 3.0 1.2 1.2 volume=0.263 peak=481 ppm1=1.765 ppm2=7.191 assign ( resid 2089 and name HA ) ( resid 2119 and name HG2# ) 3.4 1.4 1.4 volume=0.144 peak=905 ppm1=4.182 ppm2=0.285 assign ( resid 2104 and name HB2 ) ( resid 2104 and name HD21 ) 2.9 1.0 1.0 volume=0.373 peak=89 ppm1=3.083 ppm2=6.966 assign ( resid 2056 and name HD2 ) ( resid 2055 and name HB3 or resid 2056 and name HA ) 2.9 1.1 1.1 volume=0.321 peak=566 ppm1=4.005 ppm2=4.420 assign ( resid 2090 and name HB3 ) ( resid 2091 and name H ) 2.6 0.8 0.8 volume=0.713 peak=473 ppm1=1.779 ppm2=7.195 assign ( resid 2131 and name HB2 ) ( resid 2128 and name HD2# ) 2.9 1.0 1.0 volume=0.366 peak=687 ppm1=2.852 ppm2=1.054 assign ( resid 2081 and name HA ) ( resid 2081 and name HB3 or resid 2081 and name HB2 ) 1.9 0.5 0.5 volume=3.833 peak=251 ppm1=4.138 ppm2=2.048 assign ( resid 2081 and name HG2 or resid 2081 and name HG3 ) ( resid 2081 and name H ) 2.7 0.9 0.9 volume=0.556 peak=252 ppm1=2.321 ppm2=9.070 assign ( resid 2098 and name HB ) ( resid 2074 and name HG2# or resid 2074 and name HG1# ) 2.2 0.6 0.6 volume=1.785 peak=992 ppm1=4.211 ppm2=1.001 assign ( resid 2053 and name HA2 ) ( resid 2053 and name HA3 ) 2.1 0.5 0.5 volume=2.604 peak=1 ppm1=4.069 ppm2=3.848 assign ( resid 2090 and name HA ) ( resid 2090 and name HB3 or resid 2090 and name HD3 or resid 2090 and name HD2 or resid 2094 and name HB ) 2.1 0.5 0.5 volume=2.736 peak=470 ppm1=4.318 ppm2=1.767 assign ( resid 2125 and name HA ) ( resid 2089 and name HZ ) 2.5 0.8 0.8 volume=0.904 peak=378 ppm1=4.119 ppm2=6.915 assign ( resid 2090 and name HG2 ) ( resid 2090 and name HE2 or resid 2090 and name HE3 ) 2.3 0.7 0.7 volume=1.341 peak=477 ppm1=1.542 ppm2=3.045 assign ( resid 2117 and name HA ) ( resid 2120 and name HB3 ) 3.2 1.3 1.3 volume=0.201 peak=348 ppm1=4.262 ppm2=3.211 assign ( resid 2088 and name HA ) ( resid 2089 and name HD# ) 3.2 1.3 1.3 volume=0.194 peak=59 ppm1=4.465 ppm2=7.164 assign ( resid 2106 and name HA ) ( resid 2109 and name HB2 ) 2.9 1.1 1.1 volume=0.354 peak=794 ppm1=4.181 ppm2=2.854 assign ( resid 2071 and name HB ) ( resid 2071 and name HG2# or resid 2099 and name HB# ) 2.2 0.6 0.6 volume=1.629 peak=362 ppm1=3.689 ppm2=1.260 assign ( resid 2111 and name HA3 ) ( resid 2112 and name H ) 3.0 1.1 1.1 volume=0.317 peak=74 ppm1=4.123 ppm2=7.678 assign ( resid 2133 and name HB2 ) ( resid 2134 and name H ) 3.1 1.2 1.2 volume=0.250 peak=675 ppm1=2.985 ppm2=8.269 assign ( resid 2109 and name HB3 ) ( resid 2109 and name HB2 ) 2.2 0.6 0.6 volume=2.101 peak=118 ppm1=2.698 ppm2=2.854 assign ( resid 2060 and name HG3 ) ( resid 2057 and name HA ) 2.8 0.9 0.9 volume=0.484 peak=217 ppm1=2.127 ppm2=4.085 assign ( resid 2089 and name HB3 ) ( resid 2090 and name H ) 3.2 1.3 1.3 volume=0.180 peak=121 ppm1=2.852 ppm2=9.234 assign ( resid 2067 and name HA ) ( resid 2067 and name HG2# or resid 2067 and name HG1# ) 2.1 0.5 0.5 volume=2.718 peak=995 ppm1=3.529 ppm2=1.078 assign ( resid 2089 and name HA ) ( resid 2092 and name HB3 ) 2.9 1.0 1.0 volume=0.381 peak=902 ppm1=4.183 ppm2=1.603 assign ( resid 2064 and name HB# ) ( resid 2063 and name H ) 2.7 0.9 0.9 volume=0.503 peak=10 ppm1=1.572 ppm2=7.937 assign ( resid 2112 and name HD1# ) ( resid 2113 and name H ) 3.1 1.2 1.2 volume=0.249 peak=784 ppm1=0.745 ppm2=8.589 assign ( resid 2129 and name HB ) ( resid 2129 and name H ) 2.8 1.0 1.0 volume=0.466 peak=977 ppm1=3.546 ppm2=8.929 assign ( resid 2088 and name HA ) ( resid 2088 and name HB# ) 2.1 0.6 0.6 volume=2.197 peak=56 ppm1=4.466 ppm2=1.542 assign ( resid 2092 and name HG ) ( resid 2087 and name HB ) 3.2 1.3 1.3 volume=0.207 peak=825 ppm1=1.711 ppm2=3.989 assign ( resid 2052 and name HA ) ( resid 2052 and name HB3 or resid 2052 and name HB2 ) 2.1 0.5 0.5 volume=2.672 peak=133 ppm1=4.478 ppm2=2.777 assign ( resid 2078 and name HD2 ) ( resid 2078 and name HB3 ) 3.0 1.1 1.1 volume=0.296 peak=740 ppm1=6.969 ppm2=3.250 assign ( resid 2130 and name HG3 ) ( resid 2126 and name HA ) 3.3 1.3 1.3 volume=0.175 peak=235 ppm1=2.234 ppm2=4.263 assign ( resid 2089 and name HE# ) ( resid 2067 and name HG2# ) 2.9 1.1 1.1 volume=0.324 peak=1022 ppm1=7.646 ppm2=1.127 assign ( resid 2111 and name HA2 ) ( resid 2110 and name H ) 3.2 1.3 1.3 volume=0.188 peak=78 ppm1=3.806 ppm2=8.017 assign ( resid 2061 and name HA ) ( resid 2064 and name HB# ) 2.1 0.5 0.5 volume=2.502 peak=221 ppm1=4.112 ppm2=1.571 assign ( resid 2114 and name HD2# ) ( resid 2131 and name HD2 ) 2.6 0.9 0.9 volume=0.638 peak=882 ppm1=0.913 ppm2=6.053 assign ( resid 2061 and name HG2 ) ( resid 2064 and name HB# ) 2.8 1.0 1.0 volume=0.410 peak=227 ppm1=2.448 ppm2=1.572 assign ( resid 2108 and name HB3 ) ( resid 2108 and name H ) 2.4 0.7 0.7 volume=1.140 peak=718 ppm1=3.344 ppm2=8.007 assign ( resid 2131 and name HB2 ) ( resid 2131 and name HA ) 2.8 1.0 1.0 volume=0.408 peak=684 ppm1=2.852 ppm2=4.254 assign ( resid 2094 and name HG2# ) ( resid 2090 and name HA ) 2.7 0.9 0.9 volume=0.565 peak=545 ppm1=0.714 ppm2=4.312 assign ( resid 2071 and name HA ) ( resid 2071 and name H or resid 2073 and name H ) 2.5 0.8 0.8 volume=0.773 peak=368 ppm1=4.331 ppm2=8.201 assign ( resid 2101 and name HG3 ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2100 and name HD2# or resid 2100 and name HD1# ) 2.4 0.7 0.7 volume=0.983 peak=278 ppm1=2.276 ppm2=1.004 assign ( resid 2101 and name HB3 or resid 2101 and name HB2 ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2100 and name HD2# or resid 2100 and name HD1# ) 2.2 0.6 0.6 volume=1.707 peak=267 ppm1=2.105 ppm2=0.998 assign ( resid 2108 and name HB2 ) ( resid 2105 and name HG2# or resid 2107 and name HG2# ) 3.0 1.1 1.1 volume=0.318 peak=727 ppm1=3.296 ppm2=1.317 assign ( resid 2089 and name HA ) ( resid 2089 and name HD# ) 2.3 0.7 0.7 volume=1.313 peak=899 ppm1=4.183 ppm2=7.158 assign ( resid 2129 and name HA ) ( resid 2130 and name H ) 2.5 0.8 0.8 volume=0.773 peak=403 ppm1=4.410 ppm2=7.889 assign ( resid 2126 and name HB3 ) ( resid 2085 and name HB3 ) 3.0 1.1 1.1 volume=0.294 peak=700 ppm1=2.941 ppm2=2.424 assign ( resid 2087 and name HG2# ) ( resid 2092 and name HG ) 2.2 0.6 0.6 volume=1.755 peak=302 ppm1=1.367 ppm2=1.715 assign ( resid 2106 and name HD2# ) ( resid 2106 and name H ) 2.5 0.8 0.8 volume=0.821 peak=801 ppm1=0.774 ppm2=8.293 assign ( resid 2078 and name HA ) ( resid 2078 and name HD2 ) 3.5 1.6 1.6 volume=0.108 peak=738 ppm1=4.551 ppm2=6.970 assign ( resid 2058 and name HA ) ( resid 2058 and name HG2 or resid 2058 and name HG3 or resid 2058 and name HB3 ) 2.1 0.5 0.5 volume=2.625 peak=171 ppm1=4.166 ppm2=2.471 assign ( resid 2055 and name HB3 ) ( resid 2055 and name HA ) 2.8 1.0 1.0 volume=0.452 peak=427 ppm1=4.444 ppm2=4.764 assign ( resid 2123 and name HA ) ( resid 2089 and name HE# ) 3.0 1.1 1.1 volume=0.284 peak=647 ppm1=5.186 ppm2=7.642 assign ( resid 2074 and name HA ) ( resid 2074 and name H ) 2.4 0.7 0.7 volume=0.978 peak=249 ppm1=4.001 ppm2=7.910 assign ( resid 2058 and name HG2 or resid 2058 and name HG3 ) ( resid 2058 and name HE21 or resid 2061 and name HE22 ) 2.8 1.0 1.0 volume=0.472 peak=173 ppm1=2.475 ppm2=6.968 assign ( resid 2064 and name HA ) ( resid 2067 and name HB ) 2.5 0.8 0.8 volume=0.875 peak=71 ppm1=4.210 ppm2=2.259 assign ( resid 2115 and name HD2 ) ( resid 2118 and name H ) 3.6 1.6 1.6 volume=0.094 peak=640 ppm1=3.709 ppm2=7.365 assign ( resid 2078 and name HB3 ) ( resid 2079 and name HG2# ) 3.3 1.3 1.3 volume=0.177 peak=735 ppm1=3.261 ppm2=1.225 assign ( resid 2087 and name HB ) ( resid 2088 and name H ) 2.6 0.8 0.8 volume=0.694 peak=291 ppm1=3.984 ppm2=8.788 assign ( resid 2116 and name HD3 ) ( resid 2116 and name HB3 ) 2.7 0.9 0.9 volume=0.519 peak=670 ppm1=3.872 ppm2=2.363 assign ( resid 2102 and name HG ) ( resid 2102 and name H ) 2.9 1.0 1.0 volume=0.360 peak=806 ppm1=1.313 ppm2=8.594 assign ( resid 2055 and name HA ) ( resid 2055 and name H ) 2.9 1.1 1.1 volume=0.341 peak=423 ppm1=4.756 ppm2=9.047 assign ( resid 2110 and name HB ) ( resid 2110 and name HG2# ) 2.1 0.5 0.5 volume=2.541 peak=340 ppm1=4.154 ppm2=1.259 assign ( resid 2071 and name HB ) ( resid 2074 and name H ) 3.4 1.4 1.4 volume=0.145 peak=359 ppm1=3.689 ppm2=7.910 assign ( resid 2094 and name HD1# ) ( resid 2119 and name HG2# ) 2.6 0.9 0.9 volume=0.630 peak=552 ppm1=0.751 ppm2=0.286 assign ( resid 2090 and name HD3 or resid 2090 and name HD2 ) ( resid 2090 and name H ) 2.9 1.1 1.1 volume=0.339 peak=482 ppm1=1.765 ppm2=9.234 assign ( resid 2119 and name HG2# ) ( resid 2094 and name HB ) 2.6 0.8 0.8 volume=0.745 peak=514 ppm1=0.289 ppm2=1.729 assign ( resid 2138 and name HB3 ) ( resid 2138 and name HA ) 2.3 0.6 0.6 volume=1.572 peak=242 ppm1=2.147 ppm2=4.409 assign ( resid 2104 and name HB3 ) ( resid 2101 and name HA ) 2.6 0.8 0.8 volume=0.699 peak=88 ppm1=2.893 ppm2=4.147 assign ( resid 2098 and name HG2# ) ( resid 2098 and name HA ) 1.9 0.5 0.5 volume=4.007 peak=322 ppm1=1.394 ppm2=4.076 assign ( resid 2074 and name HB ) ( resid 2074 and name HA ) 2.2 0.6 0.6 volume=1.844 peak=506 ppm1=2.212 ppm2=3.998 assign ( resid 2062 and name HB ) ( resid 2059 and name HA ) 2.6 0.9 0.9 volume=0.651 peak=279 ppm1=4.263 ppm2=3.837 assign ( resid 2101 and name HA ) ( resid 2104 and name HB3 ) 2.7 0.9 0.9 volume=0.571 peak=264 ppm1=4.147 ppm2=2.892 assign ( resid 2131 and name HD2 ) ( resid 2118 and name HD2# or resid 2128 and name HD2# ) 2.7 0.9 0.9 volume=0.496 peak=990 ppm1=6.055 ppm2=1.078 assign ( resid 2122 and name HB3 ) ( resid 2128 and name HD2# ) 2.6 0.9 0.9 volume=0.630 peak=943 ppm1=3.161 ppm2=1.052 assign ( resid 2054 and name HA ) ( resid 2055 and name H ) 2.4 0.7 0.7 volume=1.067 peak=852 ppm1=4.673 ppm2=9.046 assign ( resid 2060 and name HA ) ( resid 2063 and name HB2 ) 3.0 1.1 1.1 volume=0.289 peak=199 ppm1=3.536 ppm2=1.326 assign ( resid 2124 and name HA ) ( resid 2088 and name HB# ) 3.0 1.1 1.1 volume=0.290 peak=392 ppm1=4.444 ppm2=1.538 assign ( resid 2066 and name HD1# ) ( resid 2109 and name HB2 ) 2.5 0.8 0.8 volume=0.904 peak=844 ppm1=0.803 ppm2=2.856 assign ( resid 2080 and name HD3 ) ( resid 2081 and name H ) 3.4 1.4 1.4 volume=0.142 peak=596 ppm1=3.943 ppm2=9.070 assign ( resid 2107 and name HG2# ) ( resid 2107 and name H ) 2.4 0.7 0.7 volume=1.225 peak=283 ppm1=1.323 ppm2=9.172 assign ( resid 2085 and name HB3 ) ( resid 2086 and name H ) 3.0 1.1 1.1 volume=0.272 peak=605 ppm1=2.425 ppm2=7.604 assign ( resid 2098 and name HB ) ( resid 2101 and name H ) 3.2 1.3 1.3 volume=0.183 peak=311 ppm1=4.212 ppm2=7.554 assign ( resid 2056 and name HB3 ) ( resid 2057 and name H ) 3.3 1.3 1.3 volume=0.176 peak=560 ppm1=2.505 ppm2=8.528 assign ( resid 2102 and name HD2# ) ( resid 2071 and name HB or resid 2099 and name HA or resid 2103 and name HA ) 2.3 0.7 0.7 volume=1.369 peak=815 ppm1=0.490 ppm2=3.694 assign ( resid 2124 and name HB ) ( resid 2125 and name HD2 ) 2.7 0.9 0.9 volume=0.495 peak=387 ppm1=4.453 ppm2=2.558 assign ( resid 2059 and name HB3 ) ( resid 2133 and name HD2 ) 3.3 1.3 1.3 volume=0.173 peak=192 ppm1=2.601 ppm2=6.648 assign ( resid 2083 and name HA or resid 2094 and name HA ) ( resid 2083 and name H or resid 2094 and name H ) 2.5 0.8 0.8 volume=0.965 peak=511 ppm1=4.032 ppm2=7.592 assign ( resid 2133 and name HB3 ) ( resid 2063 and name HD1# ) 2.6 0.9 0.9 volume=0.656 peak=676 ppm1=3.289 ppm2=0.873 assign ( resid 2075 and name HB3 ) ( resid 2075 and name HA ) 2.7 0.9 0.9 volume=0.558 peak=829 ppm1=1.373 ppm2=4.311 # Restraints file 4: run61_41_4.tbl assign ( resid 2067 and name HB ) ( resid 2067 and name HG2# or resid 2067 and name HG1# or resid 2106 and name HB2 or resid 2112 and name HB2 or resid 2118 and name HD2# or resid 2119 and name HG12 or resid 2129 and name HG2# ) 2.0 0.5 0.5 volume=2.774 peak=447 ppm1=2.261 ppm2=1.095 assign ( resid 2096 and name HA ) ( resid 2071 and name HG2# or resid 2073 and name HG2# or resid 2079 and name HG2# or resid 2099 and name HB# or resid 2110 and name HG2# or resid 2114 and name HD1# or resid 2134 and name HG2# ) 2.3 0.7 0.7 volume=1.203 peak=1091 ppm1=4.179 ppm2=1.254 assign ( resid 2097 and name HB2 ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H or resid 2129 and name H ) 2.4 0.7 0.7 volume=1.039 peak=816 ppm1=2.040 ppm2=8.911 assign ( resid 2094 and name HB ) ( resid 2058 and name HA or resid 2064 and name HA or resid 2070 and name HA or resid 2089 and name HA or resid 2096 and name HA or resid 2098 and name HB or resid 2106 and name HA or resid 2107 and name HA or resid 2110 and name HB or resid 2127 and name HA ) 2.9 1.1 1.1 volume=0.303 peak=535 ppm1=1.731 ppm2=4.185 assign ( resid 2048 and name HB3 ) ( resid 2048 and name HA or resid 2055 and name HA or resid 2077 and name HA ) 2.5 0.8 0.8 volume=0.717 peak=1123 ppm1=3.050 ppm2=4.746 assign ( resid 2092 and name HA ) ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HG or resid 2066 and name HG or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HG or resid 2119 and name HB or resid 2128 and name HG or resid 2135 and name HB3 ) 2.2 0.6 0.6 volume=1.504 peak=954 ppm1=4.382 ppm2=1.620 assign ( resid 2134 and name HA ) ( resid 2062 and name HB or resid 2066 and name HA or resid 2080 and name HA or resid 2085 and name HA or resid 2112 and name HA or resid 2117 and name HA or resid 2126 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 2.2 0.6 0.6 volume=1.420 peak=297 ppm1=3.707 ppm2=4.258 assign ( resid 2072 and name HB# ) ( resid 2069 and name H or resid 2089 and name H ) 2.9 1.1 1.1 volume=0.301 peak=33 ppm1=1.404 ppm2=8.641 assign ( resid 2100 and name HB2 or resid 2100 and name HB3 ) ( resid 2058 and name HA or resid 2063 and name HA or resid 2070 and name HA or resid 2076 and name HA3 or resid 2081 and name HA or resid 2089 and name HA or resid 2096 and name HA or resid 2100 and name HA or resid 2101 and name HA or resid 2105 and name HA or resid 2106 and name HA or resid 2110 and name HB or resid 2111 and name HA3 or resid 2125 and name HA or resid 2127 and name HA ) 2.1 0.6 0.6 volume=1.846 peak=927 ppm1=1.890 ppm2=4.149 assign ( resid 2098 and name HA or resid 2116 and name HA ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2097 and name HD2# or resid 2100 and name HD2# or resid 2100 and name HD1# or resid 2124 and name HG2# or resid 2128 and name HD1# or resid 2137 and name HG2# ) 2.3 0.7 0.7 volume=1.241 peak=245 ppm1=4.094 ppm2=1.013 assign ( resid 2140 and name HA ) ( resid 2050 and name HD3 or resid 2050 and name HD2 or resid 2103 and name HD2 or resid 2120 and name HB3 or resid 2140 and name HB2 ) 2.0 0.5 0.5 volume=3.115 peak=743 ppm1=4.479 ppm2=3.200 assign ( resid 2080 and name HG2 or resid 2085 and name HG3 or resid 2085 and name HG2 ) ( resid 2055 and name H or resid 2081 and name H or resid 2126 and name H ) 3.2 1.3 1.3 volume=0.173 peak=598 ppm1=2.025 ppm2=9.065 assign ( resid 2123 and name HB3 ) ( resid 2123 and name HD3 ) 2.9 1.1 1.1 volume=0.295 peak=646 ppm1=2.414 ppm2=3.417 assign ( resid 2056 and name HD3 ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2056 and name HB2 or resid 2057 and name HB2 or resid 2063 and name HB3 or resid 2066 and name HB2 or resid 2080 and name HG2 or resid 2081 and name HB3 or resid 2085 and name HG2 or resid 2085 and name HB2 or resid 2097 and name HB2 or resid 2106 and name HB3 or resid 2115 and name HB3 or resid 2125 and name HB3 or resid 2128 and name HB2 or resid 2130 and name HB3 ) 2.9 1.0 1.0 volume=0.317 peak=588 ppm1=3.957 ppm2=2.011 assign ( resid 2090 and name HB2 ) ( resid 2090 and name H ) 2.2 0.6 0.6 volume=1.559 peak=413 ppm1=1.969 ppm2=9.234 assign ( resid 2122 and name HB3 ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H or resid 2129 and name H ) 3.4 1.4 1.4 volume=0.115 peak=1103 ppm1=3.163 ppm2=8.895 assign ( resid 2136 and name HA ) ( resid 2066 and name HB3 or resid 2075 and name HG or resid 2090 and name HB3 or resid 2090 and name HD3 or resid 2090 and name HD2 or resid 2097 and name HB3 or resid 2136 and name HG or resid 2136 and name HB3 ) 2.1 0.6 0.6 volume=1.935 peak=831 ppm1=4.238 ppm2=1.770 assign ( resid 2119 and name HA ) ( resid 2089 and name HD# or resid 2120 and name HZ or resid 2120 and name HD# ) 3.1 1.2 1.2 volume=0.204 peak=516 ppm1=3.864 ppm2=7.156 assign ( resid 2074 and name HA ) ( resid 2049 and name HA or resid 2065 and name HB or resid 2071 and name HA or resid 2073 and name HB or resid 2075 and name HA or resid 2090 and name HA or resid 2105 and name HB or resid 2107 and name HB ) 3.0 1.2 1.2 volume=0.226 peak=458 ppm1=4.002 ppm2=4.334 assign ( resid 2102 and name HB2 ) ( resid 2063 and name HB2 or resid 2065 and name HG2# or resid 2073 and name HG2# or resid 2086 and name HB# or resid 2102 and name HG or resid 2105 and name HG2# or resid 2107 and name HG2# ) 2.4 0.7 0.7 volume=0.878 peak=905 ppm1=1.838 ppm2=1.307 assign ( resid 2059 and name HB3 ) ( resid 2047 and name HB2 or resid 2047 and name HB3 or resid 2053 and name HA3 or resid 2059 and name HA or resid 2085 and name HD2 or resid 2111 and name HA2 or resid 2119 and name HA or resid 2133 and name HA ) 2.8 1.0 1.0 volume=0.363 peak=124 ppm1=2.600 ppm2=3.834 assign ( resid 2092 and name HG ) ( resid 2092 and name HD2# or resid 2097 and name HD1# or resid 2114 and name HD2# or resid 2118 and name HD1# ) 2.3 0.7 0.7 volume=1.275 peak=976 ppm1=1.708 ppm2=0.922 assign ( resid 2117 and name HA ) ( resid 2109 and name HD21 or resid 2118 and name H ) 2.8 1.0 1.0 volume=0.388 peak=256 ppm1=4.261 ppm2=7.363 assign ( resid 2125 and name HB2 ) ( resid 2063 and name HB2 or resid 2065 and name HG2# or resid 2086 and name HB# or resid 2087 and name HG2# or resid 2102 and name HG or resid 2105 and name HG2# or resid 2107 and name HG2# or resid 2125 and name HG3 ) 2.8 0.9 0.9 volume=0.414 peak=685 ppm1=2.292 ppm2=1.343 assign ( resid 2123 and name HG2 ) ( resid 2049 and name HG2 or resid 2085 and name HB3 or resid 2101 and name HG2 or resid 2123 and name HB3 or resid 2138 and name HG3 or resid 2138 and name HG2 ) 2.4 0.7 0.7 volume=0.937 peak=660 ppm1=2.066 ppm2=2.406 assign ( resid 2118 and name HD2# ) ( resid 2050 and name HB3 or resid 2060 and name HG2 or resid 2103 and name HG3 or resid 2115 and name HG3 or resid 2121 and name HB3 or resid 2125 and name HG2 ) 2.5 0.8 0.8 volume=0.746 peak=1077 ppm1=1.102 ppm2=1.928 assign ( resid 2123 and name HG2 ) ( resid 2123 and name HA ) 3.1 1.2 1.2 volume=0.196 peak=653 ppm1=2.067 ppm2=5.186 assign ( resid 2123 and name HB3 ) ( resid 2123 and name HA ) 2.5 0.8 0.8 volume=0.667 peak=642 ppm1=2.413 ppm2=5.188 assign ( resid 2119 and name HB ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2134 and name HA ) 3.2 1.3 1.3 volume=0.165 peak=466 ppm1=1.596 ppm2=3.705 assign ( resid 2116 and name HD3 ) ( resid 2056 and name HG3 or resid 2057 and name HB3 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2061 and name HB2 or resid 2080 and name HG3 or resid 2080 and name HB2 or resid 2092 and name HB2 or resid 2103 and name HB2 or resid 2116 and name HG2 or resid 2116 and name HG3 or resid 2130 and name HG2 or resid 2130 and name HB2 or resid 2132 and name HG or resid 2138 and name HB3 ) 2.2 0.6 0.6 volume=1.685 peak=735 ppm1=3.875 ppm2=2.141 assign ( resid 2118 and name HB2 ) ( resid 2054 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2069 and name HB# or resid 2075 and name HB2 or resid 2088 and name HB# or resid 2090 and name HG2 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2118 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 2.6 0.9 0.9 volume=0.531 peak=1061 ppm1=1.723 ppm2=1.565 assign ( resid 2075 and name HG ) ( resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 1.9 0.5 0.5 volume=3.494 peak=987 ppm1=1.772 ppm2=0.795 assign ( resid 2100 and name HA ) ( resid 2061 and name HE21 or resid 2087 and name H or resid 2101 and name H or resid 2120 and name H ) 2.8 1.0 1.0 volume=0.337 peak=922 ppm1=4.152 ppm2=7.550 assign ( resid 2115 and name HB2 ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2134 and name HA ) 3.0 1.1 1.1 volume=0.246 peak=724 ppm1=2.453 ppm2=3.715 assign ( resid 2119 and name HG12 ) ( resid 2061 and name H or resid 2082 and name H or resid 2119 and name H or resid 2136 and name H ) 2.6 0.8 0.8 volume=0.603 peak=486 ppm1=1.106 ppm2=8.113 assign ( resid 2083 and name HG2# ) ( resid 2053 and name HA2 or resid 2055 and name HB2 or resid 2056 and name HD2 or resid 2065 and name HA or resid 2068 and name HA or resid 2083 and name HA or resid 2085 and name HD3 or resid 2087 and name HA or resid 2094 and name HA or resid 2096 and name HB3 or resid 2118 and name HA or resid 2121 and name HA ) 1.9 0.4 0.4 volume=3.852 peak=529 ppm1=0.793 ppm2=4.038 assign ( resid 2135 and name HD2 ) ( resid 2050 and name HG3 or resid 2068 and name HB# or resid 2083 and name HG13 or resid 2128 and name HG or resid 2135 and name HB3 or resid 2135 and name HB2 ) 2.6 0.8 0.8 volume=0.615 peak=376 ppm1=2.916 ppm2=1.655 assign ( resid 2123 and name HD2 ) ( resid 2059 and name HG3 or resid 2116 and name HB3 or resid 2121 and name HB2 or resid 2122 and name HB2 or resid 2123 and name HB2 ) 2.7 0.9 0.9 volume=0.479 peak=1135 ppm1=3.669 ppm2=2.361 assign ( resid 2115 and name HB3 ) ( resid 2049 and name HG3 or resid 2056 and name HB3 or resid 2057 and name HG3 or resid 2057 and name HG2 or resid 2058 and name HG2 or resid 2058 and name HG3 or resid 2058 and name HB3 or resid 2061 and name HG2 or resid 2115 and name HB2 ) 1.9 0.5 0.5 volume=3.609 peak=572 ppm1=2.025 ppm2=2.470 assign ( resid 2118 and name HB3 ) ( resid 2061 and name H or resid 2082 and name H or resid 2119 and name H or resid 2136 and name H ) 2.9 1.1 1.1 volume=0.284 peak=1058 ppm1=2.053 ppm2=8.118 assign ( resid 2059 and name HA ) ( resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2066 and name HG or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 2.9 1.0 1.0 volume=0.314 peak=118 ppm1=3.832 ppm2=1.591 assign ( resid 2090 and name HE2 or resid 2090 and name HE3 ) ( resid 2090 and name H ) 3.3 1.3 1.3 volume=0.146 peak=429 ppm1=3.042 ppm2=9.236 assign ( resid 2103 and name HG3 ) ( resid 2048 and name HB3 or resid 2078 and name HB2 or resid 2090 and name HE2 or resid 2090 and name HE3 or resid 2103 and name HD3 or resid 2104 and name HB2 or resid 2135 and name HD3 or resid 2140 and name HB3 ) 2.8 1.0 1.0 volume=0.387 peak=348 ppm1=1.965 ppm2=3.055 assign ( resid 2099 and name HA ) ( resid 2119 and name HG2# ) 2.7 0.9 0.9 volume=0.445 peak=27 ppm1=3.701 ppm2=0.276 assign ( resid 2118 and name HB3 ) ( resid 2050 and name HG2 or resid 2051 and name HB3 or resid 2092 and name HG or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2118 and name HB2 or resid 2127 and name HB# ) 2.5 0.8 0.8 volume=0.792 peak=1060 ppm1=2.053 ppm2=1.722 assign ( resid 2049 and name HG2 ) ( resid 2049 and name H or resid 2052 and name H or resid 2065 and name H or resid 2097 and name H or resid 2106 and name H or resid 2134 and name H or resid 2139 and name H ) 3.4 1.5 1.5 volume=0.107 peak=436 ppm1=2.411 ppm2=8.292 assign ( resid 2119 and name HG13 ) ( resid 2061 and name H or resid 2082 and name H or resid 2119 and name H or resid 2136 and name H ) 2.7 0.9 0.9 volume=0.516 peak=485 ppm1=0.731 ppm2=8.118 assign ( resid 2056 and name HG3 or resid 2057 and name HB3 or resid 2130 and name HB2 ) ( resid 2056 and name HA or resid 2073 and name HB or resid 2079 and name HB or resid 2092 and name HA or resid 2104 and name HA or resid 2108 and name HA or resid 2120 and name HA or resid 2129 and name HA or resid 2137 and name HA or resid 2138 and name HA ) 2.7 0.9 0.9 volume=0.516 peak=576 ppm1=2.155 ppm2=4.379 assign ( resid 2097 and name HB2 or resid 2132 and name HB2 ) ( resid 2054 and name HD2# or resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.1 0.6 0.6 volume=2.027 peak=811 ppm1=2.036 ppm2=0.804 assign ( resid 2133 and name HD2 ) ( resid 2060 and name HA or resid 2067 and name HA or resid 2129 and name HB or resid 2132 and name HA ) 3.3 1.3 1.3 volume=0.149 peak=765 ppm1=6.651 ppm2=3.535 assign ( resid 2054 and name HD2# or resid 2075 and name HD2# ) ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HG or resid 2066 and name HG or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2119 and name HB or resid 2135 and name HB3 or resid 2136 and name HB2 ) 1.8 0.4 0.4 volume=5.398 peak=990 ppm1=0.823 ppm2=1.607 assign ( resid 2059 and name HB3 ) ( resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2066 and name HG or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 3.5 1.5 1.5 volume=0.099 peak=130 ppm1=2.603 ppm2=1.592 assign ( resid 2134 and name HB ) ( resid 2049 and name H or resid 2065 and name H or resid 2097 and name H or resid 2106 and name H or resid 2109 and name H or resid 2111 and name H or resid 2134 and name H or resid 2139 and name H ) 2.3 0.6 0.6 volume=1.289 peak=263 ppm1=4.254 ppm2=8.272 assign ( resid 2095 and name HB3 ) ( resid 2049 and name H or resid 2052 and name H or resid 2065 and name H or resid 2097 and name H or resid 2106 and name H or resid 2134 and name H or resid 2139 and name H ) 3.6 1.6 1.6 volume=0.081 peak=79 ppm1=2.698 ppm2=8.287 assign ( resid 2102 and name HA ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2123 and name HD2 or resid 2134 and name HA ) 3.1 1.2 1.2 volume=0.209 peak=897 ppm1=3.976 ppm2=3.693 assign ( resid 2059 and name HB3 ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD1# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 2.7 0.9 0.9 volume=0.492 peak=128 ppm1=2.600 ppm2=0.866 assign ( resid 2049 and name HG3 or resid 2056 and name HB3 ) ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HG or resid 2066 and name HG or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2119 and name HB or resid 2128 and name HG or resid 2135 and name HB3 ) 2.9 1.0 1.0 volume=0.327 peak=1144 ppm1=2.500 ppm2=1.615 assign ( resid 2051 and name HG or resid 2054 and name HG or resid 2066 and name HG ) ( resid 2054 and name H or resid 2059 and name HE21 or resid 2109 and name HD22 ) 2.5 0.8 0.8 volume=0.783 peak=1010 ppm1=1.620 ppm2=7.413 assign ( resid 2048 and name HA ) ( resid 2049 and name H or resid 2052 and name H or resid 2065 and name H or resid 2097 and name H or resid 2106 and name H or resid 2134 and name H or resid 2139 and name H ) 2.6 0.9 0.9 volume=0.563 peak=1121 ppm1=4.746 ppm2=8.293 assign ( resid 2133 and name HB3 ) ( resid 2053 and name HA3 or resid 2059 and name HA or resid 2082 and name HB2 or resid 2085 and name HD2 or resid 2116 and name HD3 or resid 2119 and name HA or resid 2133 and name HA or resid 2139 and name HB2 or resid 2139 and name HB3 ) 2.7 0.9 0.9 volume=0.465 peak=752 ppm1=3.291 ppm2=3.863 assign ( resid 2140 and name HB3 ) ( resid 2052 and name HD21 or resid 2060 and name HE22 or resid 2108 and name HD2 or resid 2130 and name HE21 or resid 2130 and name HE22 or resid 2140 and name HD2 ) 2.9 1.0 1.0 volume=0.325 peak=742 ppm1=3.073 ppm2=7.060 assign ( resid 2121 and name HB2 ) ( resid 2120 and name HE# or resid 2122 and name H ) 2.8 1.0 1.0 volume=0.378 peak=94 ppm1=2.344 ppm2=7.322 assign ( resid 2110 and name HB ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD1# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 2.4 0.7 0.7 volume=0.930 peak=249 ppm1=4.154 ppm2=0.865 assign ( resid 2130 and name HG3 ) ( resid 2064 and name H or resid 2098 and name H or resid 2128 and name H or resid 2129 and name H ) 3.4 1.4 1.4 volume=0.121 peak=193 ppm1=2.234 ppm2=8.924 assign ( resid 2048 and name HB2 ) ( resid 2049 and name H or resid 2052 and name H or resid 2065 and name H or resid 2097 and name H or resid 2106 and name H or resid 2134 and name H or resid 2139 and name H ) 3.2 1.3 1.3 volume=0.155 peak=1120 ppm1=3.105 ppm2=8.290 assign ( resid 2092 and name HG ) ( resid 2057 and name HB3 or resid 2058 and name HB2 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2080 and name HG3 or resid 2080 and name HB3 or resid 2092 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB3 or resid 2116 and name HG2 or resid 2116 and name HB2 or resid 2116 and name HG3 or resid 2130 and name HB2 or resid 2132 and name HG or resid 2138 and name HB3 ) 2.7 0.9 0.9 volume=0.503 peak=968 ppm1=1.705 ppm2=2.114 assign ( resid 2123 and name HA ) ( resid 2123 and name HD3 ) 3.2 1.3 1.3 volume=0.157 peak=633 ppm1=5.188 ppm2=3.420 assign ( resid 2115 and name HG2 ) ( resid 2092 and name HD2# or resid 2114 and name HD2# or resid 2118 and name HD1# ) 2.8 1.0 1.0 volume=0.351 peak=1147 ppm1=2.222 ppm2=0.910 assign ( resid 2131 and name HA ) ( resid 2131 and name HD2 ) 3.3 1.4 1.4 volume=0.130 peak=774 ppm1=4.251 ppm2=6.055 assign ( resid 2054 and name HB3 ) ( resid 2049 and name HG3 or resid 2057 and name HG3 or resid 2057 and name HG2 or resid 2058 and name HG2 or resid 2058 and name HG3 or resid 2058 and name HB3 or resid 2061 and name HG2 or resid 2085 and name HB3 or resid 2115 and name HB2 ) 2.9 1.0 1.0 volume=0.306 peak=1038 ppm1=1.875 ppm2=2.460 assign ( resid 2133 and name HB2 ) ( resid 2057 and name H or resid 2068 and name H or resid 2070 and name H or resid 2105 and name H or resid 2113 and name H or resid 2133 and name H ) 2.5 0.8 0.8 volume=0.746 peak=749 ppm1=2.986 ppm2=8.553 assign ( resid 2119 and name HG13 ) ( resid 2053 and name HA3 or resid 2059 and name HA or resid 2082 and name HB2 or resid 2085 and name HD2 or resid 2116 and name HD3 or resid 2119 and name HA or resid 2133 and name HA or resid 2139 and name HB2 or resid 2139 and name HB3 ) 2.8 1.0 1.0 volume=0.342 peak=487 ppm1=0.730 ppm2=3.862 assign ( resid 2095 and name HB2 ) ( resid 2084 and name HA or resid 2095 and name HA ) 2.8 1.0 1.0 volume=0.342 peak=82 ppm1=3.276 ppm2=4.893 assign ( resid 2135 and name HB3 ) ( resid 2104 and name HB3 or resid 2126 and name HB3 or resid 2126 and name HB2 or resid 2135 and name HD2 ) 3.1 1.2 1.2 volume=0.184 peak=389 ppm1=1.635 ppm2=2.905 assign ( resid 2094 and name HD1# ) ( resid 2068 and name H or resid 2102 and name H or resid 2113 and name H or resid 2132 and name H ) 3.0 1.1 1.1 volume=0.260 peak=558 ppm1=0.749 ppm2=8.604 assign ( resid 2068 and name HB# ) ( resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2094 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.1 0.5 0.5 volume=2.166 peak=19 ppm1=1.661 ppm2=0.783 assign ( resid 2112 and name HB3 ) ( resid 2072 and name HB# or resid 2075 and name HB3 or resid 2094 and name HG12 or resid 2098 and name HG2# or resid 2103 and name HG2 or resid 2112 and name HG or resid 2114 and name HB3 ) 2.7 0.9 0.9 volume=0.440 peak=875 ppm1=1.591 ppm2=1.412 assign ( resid 2063 and name HD2# or resid 2132 and name HD2# ) ( resid 2060 and name HA or resid 2067 and name HA or resid 2129 and name HB or resid 2132 and name HA ) 1.9 0.4 0.4 volume=3.870 peak=817 ppm1=0.806 ppm2=3.558 assign ( resid 2110 and name HA ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD1# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 2.6 0.8 0.8 volume=0.649 peak=247 ppm1=4.539 ppm2=0.863 assign ( resid 2050 and name HA ) ( resid 2050 and name HB2 or resid 2059 and name HB2 or resid 2063 and name HG or resid 2100 and name HG or resid 2102 and name HB2 or resid 2106 and name HG ) 2.3 0.7 0.7 volume=1.175 peak=315 ppm1=4.490 ppm2=1.838 assign ( resid 2103 and name HG2 ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2123 and name HD2 or resid 2134 and name HA ) 2.7 0.9 0.9 volume=0.474 peak=352 ppm1=1.407 ppm2=3.703 assign ( resid 2063 and name HB2 ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2056 and name HB2 or resid 2057 and name HB2 or resid 2063 and name HB3 or resid 2066 and name HB2 or resid 2080 and name HG2 or resid 2081 and name HB3 or resid 2085 and name HG2 or resid 2085 and name HB2 or resid 2097 and name HB2 or resid 2106 and name HB3 or resid 2115 and name HB3 or resid 2125 and name HB3 or resid 2128 and name HB2 or resid 2130 and name HB3 ) 2.2 0.6 0.6 volume=1.434 peak=1022 ppm1=1.328 ppm2=2.007 assign ( resid 2061 and name HG3 ) ( resid 2057 and name HA or resid 2061 and name HA or resid 2063 and name HA or resid 2076 and name HA3 or resid 2081 and name HA or resid 2098 and name HA or resid 2100 and name HA or resid 2101 and name HA or resid 2105 and name HA or resid 2111 and name HA3 or resid 2116 and name HA or resid 2125 and name HA or resid 2128 and name HA ) 2.3 0.6 0.6 volume=1.341 peak=180 ppm1=2.519 ppm2=4.113 assign ( resid 2102 and name HG ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2134 and name HA ) 2.9 1.0 1.0 volume=0.321 peak=910 ppm1=1.315 ppm2=3.704 assign ( resid 2062 and name HB ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD1# or resid 2063 and name HD2# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 2.2 0.6 0.6 volume=1.518 peak=227 ppm1=4.264 ppm2=0.858 assign ( resid 2120 and name HA ) ( resid 2060 and name H or resid 2108 and name H or resid 2110 and name H or resid 2121 and name H or resid 2140 and name HE1 ) 3.0 1.1 1.1 volume=0.237 peak=1079 ppm1=4.411 ppm2=8.015 assign ( resid 2066 and name HB2 ) ( resid 2066 and name H or resid 2076 and name H or resid 2103 and name H or resid 2131 and name HE1 or resid 2133 and name HE1 or resid 2138 and name H ) 2.4 0.7 0.7 volume=1.010 peak=993 ppm1=1.979 ppm2=7.772 assign ( resid 2080 and name HD3 or resid 2116 and name HD2 ) ( resid 2056 and name HG3 or resid 2057 and name HB3 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2061 and name HB2 or resid 2080 and name HG3 or resid 2080 and name HB2 or resid 2092 and name HB2 or resid 2103 and name HB2 or resid 2116 and name HG2 or resid 2116 and name HG3 or resid 2130 and name HG2 or resid 2130 and name HB2 or resid 2138 and name HB3 ) 2.1 0.5 0.5 volume=2.233 peak=600 ppm1=3.944 ppm2=2.142 assign ( resid 2125 and name HA ) ( resid 2050 and name HG3 or resid 2068 and name HB# or resid 2083 and name HG13 or resid 2128 and name HG or resid 2135 and name HB3 or resid 2135 and name HB2 ) 3.1 1.2 1.2 volume=0.203 peak=678 ppm1=4.116 ppm2=1.662 assign ( resid 2133 and name HE1 ) ( resid 2050 and name HB3 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2060 and name HG2 or resid 2066 and name HB2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2106 and name HB3 or resid 2123 and name HG3 ) 3.1 1.2 1.2 volume=0.206 peak=794 ppm1=7.746 ppm2=1.968 assign ( resid 2090 and name HA ) ( resid 2093 and name H or resid 2120 and name H ) 3.0 1.1 1.1 volume=0.261 peak=407 ppm1=4.315 ppm2=7.504 assign ( resid 2060 and name HA ) ( resid 2050 and name HB3 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2060 and name HG2 or resid 2066 and name HB2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2106 and name HB3 or resid 2123 and name HG3 ) 2.1 0.5 0.5 volume=2.333 peak=164 ppm1=3.537 ppm2=1.961 assign ( resid 2106 and name HA ) ( resid 2067 and name HG2# or resid 2067 and name HG1# or resid 2106 and name HB2 or resid 2112 and name HB2 or resid 2118 and name HD2# or resid 2119 and name HG12 or resid 2129 and name HG2# ) 2.5 0.8 0.8 volume=0.781 peak=883 ppm1=4.182 ppm2=1.088 assign ( resid 2125 and name HG3 ) ( resid 2056 and name HG2 or resid 2067 and name HB or resid 2081 and name HG2 or resid 2081 and name HG3 or resid 2101 and name HG3 or resid 2125 and name HB2 ) 2.8 1.0 1.0 volume=0.363 peak=710 ppm1=1.345 ppm2=2.290 assign ( resid 2067 and name HA ) ( resid 2064 and name HA or resid 2066 and name HA or resid 2070 and name HA or resid 2085 and name HA or resid 2089 and name HA or resid 2096 and name HA or resid 2098 and name HB or resid 2106 and name HA or resid 2107 and name HA ) 2.9 1.1 1.1 volume=0.278 peak=440 ppm1=3.531 ppm2=4.202 assign ( resid 2093 and name HA3 ) ( resid 2054 and name HD2# or resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.7 0.9 0.9 volume=0.420 peak=62 ppm1=3.762 ppm2=0.801 assign ( resid 2071 and name HB ) ( resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.2 0.6 0.6 volume=1.575 peak=280 ppm1=3.689 ppm2=0.794 assign ( resid 2116 and name HG2 or resid 2116 and name HG3 ) ( resid 2060 and name HE21 or resid 2117 and name H or resid 2122 and name HD2 ) 2.7 0.9 0.9 volume=0.483 peak=730 ppm1=2.147 ppm2=6.821 assign ( resid 2060 and name HA ) ( resid 2054 and name HD1# or resid 2063 and name HD1# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 2.4 0.7 0.7 volume=0.939 peak=166 ppm1=3.537 ppm2=0.871 assign ( resid 2059 and name HA ) ( resid 2058 and name H or resid 2060 and name H or resid 2063 and name H ) 2.8 1.0 1.0 volume=0.373 peak=110 ppm1=3.833 ppm2=7.970 assign ( resid 2122 and name HB2 ) ( resid 2122 and name HA ) 3.4 1.4 1.4 volume=0.121 peak=1107 ppm1=2.367 ppm2=5.008 assign ( resid 2102 and name HD1# ) ( resid 2049 and name HA or resid 2065 and name HB or resid 2071 and name HA or resid 2075 and name HA or resid 2090 and name HA or resid 2105 and name HB or resid 2107 and name HB or resid 2112 and name HA or resid 2126 and name HA ) 2.4 0.7 0.7 volume=1.014 peak=891 ppm1=0.807 ppm2=4.312 assign ( resid 2131 and name HB3 ) ( resid 2059 and name HG2 or resid 2089 and name HB3 or resid 2091 and name HB3 or resid 2091 and name HB2 or resid 2109 and name HB2 or resid 2131 and name HB2 ) 2.3 0.7 0.7 volume=1.127 peak=780 ppm1=2.529 ppm2=2.854 assign ( resid 2049 and name HG2 ) ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HG or resid 2066 and name HG or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2119 and name HB or resid 2135 and name HB3 ) 2.8 1.0 1.0 volume=0.349 peak=1145 ppm1=2.414 ppm2=1.615 assign ( resid 2133 and name HD2 ) ( resid 2056 and name HG3 or resid 2057 and name HB3 or resid 2058 and name HB2 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2080 and name HG3 or resid 2080 and name HB2 or resid 2080 and name HB3 or resid 2092 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB2 or resid 2103 and name HB3 or resid 2116 and name HG2 or resid 2116 and name HB2 or resid 2116 and name HG3 or resid 2130 and name HB2 or resid 2132 and name HG or resid 2138 and name HB3 ) 3.3 1.3 1.3 volume=0.151 peak=761 ppm1=6.650 ppm2=2.122 assign ( resid 2123 and name HG2 ) ( resid 2123 and name HD3 ) 2.5 0.8 0.8 volume=0.672 peak=655 ppm1=2.067 ppm2=3.420 assign ( resid 2094 and name HD1# ) ( resid 2070 and name HB# or resid 2083 and name HG12 or resid 2094 and name HG12 or resid 2094 and name HG13 or resid 2102 and name HB3 or resid 2112 and name HG or resid 2114 and name HB3 ) 1.9 0.5 0.5 volume=3.595 peak=562 ppm1=0.750 ppm2=1.446 assign ( resid 2090 and name HA ) ( resid 2083 and name H or resid 2086 and name H or resid 2087 and name H or resid 2094 and name H or resid 2101 and name H or resid 2137 and name H or resid 2138 and name HE21 ) 2.5 0.8 0.8 volume=0.654 peak=405 ppm1=4.318 ppm2=7.584 assign ( resid 2123 and name HB3 ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2097 and name HD2# or resid 2100 and name HD2# or resid 2100 and name HD1# or resid 2124 and name HG2# or resid 2128 and name HD2# or resid 2128 and name HD1# or resid 2137 and name HG2# ) 2.9 1.1 1.1 volume=0.274 peak=651 ppm1=2.413 ppm2=1.024 assign ( resid 2116 and name HG2 or resid 2116 and name HG3 ) ( resid 2079 and name HA or resid 2114 and name HA or resid 2115 and name HA ) 2.9 1.1 1.1 volume=0.281 peak=733 ppm1=2.148 ppm2=4.935 assign ( resid 2062 and name HG2# ) ( resid 2058 and name H or resid 2063 and name H or resid 2074 and name H or resid 2114 and name H or resid 2131 and name H or resid 2135 and name H ) 2.4 0.7 0.7 volume=0.834 peak=210 ppm1=1.204 ppm2=7.941 assign ( resid 2067 and name HA ) ( resid 2067 and name H or resid 2088 and name H ) 2.5 0.8 0.8 volume=0.795 peak=437 ppm1=3.529 ppm2=8.818 assign ( resid 2051 and name HA ) ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HG or resid 2066 and name HG or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2119 and name HB or resid 2135 and name HB3 ) 2.1 0.6 0.6 volume=1.949 peak=1 ppm1=4.518 ppm2=1.613 assign ( resid 2136 and name HB3 ) ( resid 2054 and name HD1# or resid 2063 and name HD1# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 2.1 0.6 0.6 volume=1.897 peak=836 ppm1=1.784 ppm2=0.871 assign ( resid 2135 and name HA ) ( resid 2062 and name HG2# or resid 2079 and name HG2# or resid 2114 and name HD1# or resid 2117 and name HG2# or resid 2132 and name HB3 or resid 2134 and name HG2# or resid 2135 and name HG3 or resid 2135 and name HG2 ) 2.2 0.6 0.6 volume=1.470 peak=370 ppm1=3.969 ppm2=1.192 assign ( resid 2135 and name HD2 ) ( resid 2048 and name HB3 or resid 2078 and name HB2 or resid 2090 and name HE2 or resid 2090 and name HE3 or resid 2103 and name HD3 or resid 2104 and name HB2 or resid 2135 and name HD3 or resid 2140 and name HB3 ) 1.8 0.4 0.4 volume=4.626 peak=374 ppm1=2.916 ppm2=3.062 assign ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2054 and name HG or resid 2066 and name HG or resid 2128 and name HG ) ( resid 2047 and name HA or resid 2050 and name HA or resid 2051 and name HA or resid 2052 and name HA or resid 2093 and name HA2 or resid 2140 and name HA ) 2.3 0.6 0.6 volume=1.341 peak=323 ppm1=1.626 ppm2=4.499 assign ( resid 2131 and name HA ) ( resid 2062 and name HG2# or resid 2079 and name HG2# or resid 2114 and name HD1# or resid 2117 and name HG2# or resid 2132 and name HB3 or resid 2134 and name HG2# or resid 2135 and name HG3 or resid 2135 and name HG2 ) 2.6 0.9 0.9 volume=0.547 peak=775 ppm1=4.253 ppm2=1.219 assign ( resid 2099 and name HB# ) ( resid 2083 and name HD1# or resid 2094 and name HG2# or resid 2094 and name HD1# or resid 2112 and name HD1# or resid 2119 and name HG13 ) 1.9 0.4 0.4 volume=4.120 peak=37 ppm1=1.254 ppm2=0.718 assign ( resid 2135 and name HG3 or resid 2135 and name HG2 ) ( resid 2062 and name HB or resid 2066 and name HA or resid 2080 and name HA or resid 2085 and name HA or resid 2117 and name HA or resid 2126 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 3.0 1.1 1.1 volume=0.246 peak=397 ppm1=1.182 ppm2=4.253 assign ( resid 2106 and name HA ) ( resid 2049 and name H or resid 2065 and name H or resid 2097 and name H or resid 2106 and name H or resid 2134 and name H or resid 2139 and name H ) 2.5 0.8 0.8 volume=0.681 peak=878 ppm1=4.182 ppm2=8.280 assign ( resid 2094 and name HG2# ) ( resid 2058 and name HA or resid 2064 and name HA or resid 2070 and name HA or resid 2085 and name HA or resid 2089 and name HA or resid 2096 and name HA or resid 2098 and name HB or resid 2106 and name HA or resid 2107 and name HA ) 2.5 0.8 0.8 volume=0.820 peak=550 ppm1=0.713 ppm2=4.196 assign ( resid 2100 and name HB2 or resid 2100 and name HB3 ) ( resid 2100 and name H ) 2.1 0.6 0.6 volume=2.104 peak=929 ppm1=1.889 ppm2=7.235 assign ( resid 2130 and name HB3 ) ( resid 2056 and name HG3 or resid 2057 and name HB3 or resid 2060 and name HG3 or resid 2061 and name HB2 or resid 2061 and name HB3 or resid 2080 and name HG3 or resid 2080 and name HB2 or resid 2103 and name HB2 or resid 2116 and name HG2 or resid 2116 and name HG3 or resid 2130 and name HG2 or resid 2130 and name HB2 or resid 2138 and name HB3 ) 1.7 0.4 0.4 volume=6.521 peak=197 ppm1=2.041 ppm2=2.160 assign ( resid 2102 and name HD1# ) ( resid 2068 and name H or resid 2070 and name H or resid 2102 and name H or resid 2113 and name H or resid 2132 and name H or resid 2133 and name H ) 2.4 0.7 0.7 volume=0.914 peak=887 ppm1=0.807 ppm2=8.580 assign ( resid 2095 and name HB2 ) ( resid 2095 and name HB3 or resid 2109 and name HB3 or resid 2113 and name HB2 ) 2.2 0.6 0.6 volume=1.648 peak=84 ppm1=3.276 ppm2=2.698 assign ( resid 2115 and name HG3 ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2134 and name HA ) 2.5 0.8 0.8 volume=0.678 peak=622 ppm1=1.918 ppm2=3.712 assign ( resid 2123 and name HA ) ( resid 2119 and name HG2# ) 3.0 1.1 1.1 volume=0.252 peak=634 ppm1=5.188 ppm2=0.287 assign ( resid 2126 and name HA ) ( resid 2067 and name HG2# or resid 2067 and name HG1# or resid 2106 and name HB2 or resid 2112 and name HB2 or resid 2118 and name HD2# or resid 2119 and name HG12 or resid 2129 and name HG2# ) 2.6 0.9 0.9 volume=0.536 peak=290 ppm1=4.284 ppm2=1.098 assign ( resid 2130 and name HG2 ) ( resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2130 and name H or resid 2131 and name H or resid 2135 and name H ) 2.3 0.7 0.7 volume=1.204 peak=191 ppm1=2.163 ppm2=7.894 assign ( resid 2059 and name HA ) ( resid 2059 and name HB3 ) 2.7 0.9 0.9 volume=0.478 peak=114 ppm1=3.835 ppm2=2.597 assign ( resid 2092 and name HG ) ( resid 2089 and name HD# or resid 2091 and name H or resid 2120 and name HD# ) 3.2 1.3 1.3 volume=0.179 peak=963 ppm1=1.708 ppm2=7.179 assign ( resid 2068 and name HA ) ( resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.3 0.7 0.7 volume=1.266 peak=11 ppm1=4.043 ppm2=0.784 assign ( resid 2062 and name HA ) ( resid 2058 and name H or resid 2063 and name H or resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2131 and name H or resid 2135 and name H ) 2.8 1.0 1.0 volume=0.359 peak=214 ppm1=3.982 ppm2=7.937 assign ( resid 2100 and name HD1# ) ( resid 2048 and name HE1 or resid 2052 and name HD22 or resid 2092 and name H or resid 2103 and name H or resid 2104 and name HD22 or resid 2108 and name HE1 ) 2.9 1.0 1.0 volume=0.330 peak=939 ppm1=1.006 ppm2=7.827 assign ( resid 2092 and name HG ) ( resid 2075 and name HB3 or resid 2086 and name HB# or resid 2087 and name HG2# or resid 2098 and name HG2# or resid 2125 and name HG3 ) 2.5 0.8 0.8 volume=0.763 peak=972 ppm1=1.710 ppm2=1.368 assign ( resid 2092 and name HB3 ) ( resid 2048 and name HE1 or resid 2052 and name HD22 or resid 2092 and name H or resid 2103 and name H or resid 2104 and name HD22 or resid 2108 and name HE1 ) 2.7 0.9 0.9 volume=0.516 peak=961 ppm1=1.612 ppm2=7.819 assign ( resid 2056 and name HA ) ( resid 2056 and name HG2 or resid 2059 and name HG3 or resid 2081 and name HG2 or resid 2081 and name HG3 or resid 2121 and name HB2 or resid 2123 and name HB2 or resid 2125 and name HB2 ) 2.7 0.9 0.9 volume=0.470 peak=569 ppm1=4.379 ppm2=2.315 assign ( resid 2132 and name HB2 ) ( resid 2060 and name HA or resid 2067 and name HA or resid 2129 and name HB or resid 2132 and name HA ) 2.7 0.9 0.9 volume=0.480 peak=1136 ppm1=2.027 ppm2=3.541 assign ( resid 2099 and name HA ) ( resid 2061 and name HE21 or resid 2087 and name H or resid 2101 and name H or resid 2137 and name H ) 3.3 1.4 1.4 volume=0.139 peak=30 ppm1=3.703 ppm2=7.556 assign ( resid 2085 and name HD3 ) ( resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 3.4 1.4 1.4 volume=0.115 peak=608 ppm1=4.069 ppm2=0.789 assign ( resid 2118 and name HG ) ( resid 2050 and name HG2 or resid 2051 and name HB3 or resid 2083 and name HG13 or resid 2092 and name HG or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2118 and name HB2 or resid 2127 and name HB# ) 2.8 1.0 1.0 volume=0.343 peak=1072 ppm1=1.549 ppm2=1.711 assign ( resid 2130 and name HG3 ) ( resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2130 and name H or resid 2131 and name H or resid 2135 and name H ) 2.3 0.6 0.6 volume=1.381 peak=190 ppm1=2.232 ppm2=7.893 assign ( resid 2123 and name HB2 ) ( resid 2123 and name HD3 ) 3.0 1.1 1.1 volume=0.238 peak=647 ppm1=2.340 ppm2=3.422 assign ( resid 2102 and name HG ) ( resid 2070 and name HB# or resid 2083 and name HG12 or resid 2090 and name HG3 or resid 2094 and name HG12 or resid 2094 and name HG13 or resid 2102 and name HB3 ) 2.3 0.7 0.7 volume=1.261 peak=912 ppm1=1.318 ppm2=1.469 assign ( resid 2102 and name HD2# ) ( resid 2050 and name HB2 or resid 2059 and name HB2 or resid 2063 and name HG or resid 2100 and name HG or resid 2102 and name HB2 or resid 2106 and name HG ) 2.1 0.6 0.6 volume=1.838 peak=918 ppm1=0.490 ppm2=1.838 assign ( resid 2136 and name HD1# ) ( resid 2133 and name HD2 ) 2.6 0.9 0.9 volume=0.534 peak=841 ppm1=0.881 ppm2=6.650 assign ( resid 2075 and name HD1# ) ( resid 2072 and name HB# or resid 2075 and name HB3 or resid 2087 and name HG2# or resid 2098 and name HG2# or resid 2103 and name HG2 or resid 2112 and name HG or resid 2114 and name HB3 ) 2.1 0.6 0.6 volume=1.828 peak=991 ppm1=0.797 ppm2=1.383 assign ( resid 2119 and name HA or resid 2133 and name HA ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2049 and name HB3 or resid 2056 and name HB2 or resid 2063 and name HB3 or resid 2080 and name HG2 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG3 or resid 2085 and name HG2 or resid 2097 and name HB2 or resid 2115 and name HB3 or resid 2118 and name HB3 or resid 2123 and name HG2 or resid 2125 and name HB3 or resid 2128 and name HB2 or resid 2130 and name HB3 or resid 2132 and name HB2 ) 3.0 1.1 1.1 volume=0.245 peak=511 ppm1=3.860 ppm2=2.033 assign ( resid 2059 and name HG3 ) ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2066 and name HG or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 2.7 0.9 0.9 volume=0.504 peak=146 ppm1=2.346 ppm2=1.600 assign ( resid 2067 and name HB ) ( resid 2067 and name H or resid 2088 and name H ) 2.3 0.7 0.7 volume=1.232 peak=444 ppm1=2.260 ppm2=8.818 assign ( resid 2120 and name HA ) ( resid 2120 and name HB2 or resid 2133 and name HB2 ) 2.4 0.7 0.7 volume=1.064 peak=1080 ppm1=4.412 ppm2=2.977 assign ( resid 2059 and name HA ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD1# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 2.1 0.5 0.5 volume=2.233 peak=119 ppm1=3.834 ppm2=0.863 assign ( resid 2049 and name HB3 ) ( resid 2049 and name H or resid 2052 and name H or resid 2065 and name H or resid 2097 and name H or resid 2106 and name H or resid 2134 and name H or resid 2139 and name H ) 3.2 1.3 1.3 volume=0.161 peak=433 ppm1=2.081 ppm2=8.295 assign ( resid 2132 and name HA ) ( resid 2131 and name HD2 ) 3.3 1.4 1.4 volume=0.139 peak=801 ppm1=3.561 ppm2=6.056 assign ( resid 2054 and name HB3 ) ( resid 2051 and name HB2 or resid 2054 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2066 and name HG or resid 2069 and name HB# or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2118 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 2.3 0.7 0.7 volume=1.093 peak=1041 ppm1=1.875 ppm2=1.579 assign ( resid 2132 and name HB3 ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2049 and name HB3 or resid 2056 and name HB2 or resid 2080 and name HG2 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG3 or resid 2085 and name HG2 or resid 2097 and name HB2 or resid 2115 and name HB3 or resid 2118 and name HB3 or resid 2123 and name HG2 or resid 2125 and name HB3 or resid 2130 and name HB3 or resid 2132 and name HB2 or resid 2138 and name HB2 ) 2.3 0.7 0.7 volume=1.240 peak=809 ppm1=1.211 ppm2=2.044 assign ( resid 2059 and name HG3 ) ( resid 2052 and name HD21 or resid 2059 and name HE22 or resid 2130 and name HE22 ) 3.1 1.2 1.2 volume=0.208 peak=152 ppm1=2.344 ppm2=7.097 assign ( resid 2115 and name HG2 ) ( resid 2049 and name HG2 or resid 2057 and name HG3 or resid 2057 and name HG2 or resid 2058 and name HG2 or resid 2058 and name HG3 or resid 2058 and name HB3 or resid 2061 and name HG2 or resid 2085 and name HB3 or resid 2115 and name HB2 or resid 2138 and name HG3 or resid 2138 and name HG2 ) 2.5 0.8 0.8 volume=0.822 peak=619 ppm1=2.223 ppm2=2.454 assign ( resid 2136 and name HB2 ) ( resid 2062 and name HB or resid 2064 and name HA or resid 2066 and name HA or resid 2080 and name HA or resid 2085 and name HA or resid 2098 and name HB or resid 2117 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 2.5 0.8 0.8 volume=0.783 peak=829 ppm1=1.565 ppm2=4.244 assign ( resid 2125 and name HD3 ) ( resid 2113 and name HB3 or resid 2125 and name HD2 or resid 2131 and name HB3 ) 2.5 0.8 0.8 volume=0.801 peak=691 ppm1=3.767 ppm2=2.556 assign ( resid 2133 and name HE1 ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2097 and name HD2# or resid 2100 and name HD1# or resid 2124 and name HG2# or resid 2128 and name HD1# or resid 2136 and name HD2# or resid 2137 and name HG2# ) 3.1 1.2 1.2 volume=0.184 peak=792 ppm1=7.746 ppm2=0.994 assign ( resid 2121 and name HA ) ( resid 2050 and name HD3 or resid 2050 and name HD2 or resid 2103 and name HD2 or resid 2120 and name HB3 or resid 2140 and name HB2 ) 3.3 1.4 1.4 volume=0.135 peak=87 ppm1=4.056 ppm2=3.211 assign ( resid 2103 and name HA ) ( resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2066 and name HG or resid 2069 and name HB# or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 3.2 1.3 1.3 volume=0.167 peak=337 ppm1=3.704 ppm2=1.587 assign ( resid 2076 and name HA2 or resid 2111 and name HA2 ) ( resid 2061 and name HA or resid 2063 and name HA or resid 2076 and name HA3 or resid 2081 and name HA or resid 2100 and name HA or resid 2101 and name HA or resid 2105 and name HA or resid 2110 and name HB or resid 2111 and name HA3 or resid 2116 and name HA or resid 2125 and name HA or resid 2127 and name HA ) 1.9 0.5 0.5 volume=3.410 peak=58 ppm1=3.790 ppm2=4.127 assign ( resid 2096 and name HB2 ) ( resid 2049 and name H or resid 2052 and name H or resid 2065 and name H or resid 2097 and name H or resid 2106 and name H or resid 2134 and name H or resid 2139 and name H ) 2.8 1.0 1.0 volume=0.349 peak=1126 ppm1=3.988 ppm2=8.286 assign ( resid 2092 and name HD1# ) ( resid 2056 and name HD2 or resid 2062 and name HA or resid 2065 and name HA or resid 2074 and name HA or resid 2082 and name HB3 or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HA or resid 2087 and name HB or resid 2094 and name HA or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2102 and name HA or resid 2115 and name HD3 or resid 2130 and name HA or resid 2135 and name HA ) 2.4 0.7 0.7 volume=0.888 peak=979 ppm1=0.785 ppm2=3.999 assign ( resid 2068 and name HB# ) ( resid 2056 and name HG3 or resid 2061 and name HB2 or resid 2061 and name HB3 or resid 2074 and name HB or resid 2080 and name HB2 or resid 2083 and name HB or resid 2103 and name HB2 or resid 2130 and name HG2 ) 2.1 0.6 0.6 volume=1.913 peak=18 ppm1=1.662 ppm2=2.183 assign ( resid 2132 and name HD1# ) ( resid 2131 and name HD2 ) 3.1 1.2 1.2 volume=0.207 peak=824 ppm1=0.801 ppm2=6.056 assign ( resid 2049 and name HG2 or resid 2085 and name HB3 ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2056 and name HB2 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2060 and name HG2 or resid 2063 and name HB3 or resid 2066 and name HB2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2106 and name HB3 or resid 2123 and name HG3 or resid 2128 and name HB2 ) 1.8 0.4 0.4 volume=5.401 peak=1148 ppm1=2.424 ppm2=1.987 assign ( resid 2132 and name HG ) ( resid 2062 and name HG2# or resid 2079 and name HG2# or resid 2099 and name HB# or resid 2114 and name HD1# or resid 2117 and name HG2# or resid 2132 and name HB3 or resid 2134 and name HG2# or resid 2135 and name HG3 or resid 2135 and name HG2 ) 2.7 0.9 0.9 volume=0.458 peak=821 ppm1=2.111 ppm2=1.219 assign ( resid 2059 and name HG3 ) ( resid 2056 and name HA or resid 2073 and name HB or resid 2079 and name HB or resid 2092 and name HA or resid 2104 and name HA or resid 2108 and name HA or resid 2120 and name HA or resid 2129 and name HA or resid 2137 and name HA or resid 2138 and name HA ) 3.5 1.6 1.6 volume=0.091 peak=156 ppm1=2.339 ppm2=4.377 assign ( resid 2074 and name HB ) ( resid 2071 and name HG2# or resid 2073 and name HG2# or resid 2099 and name HB# or resid 2110 and name HG2# ) 2.8 1.0 1.0 volume=0.351 peak=1141 ppm1=2.212 ppm2=1.269 assign ( resid 2093 and name HA2 ) ( resid 2076 and name HA2 or resid 2093 and name HA3 or resid 2125 and name HD3 ) 1.9 0.5 0.5 volume=3.452 peak=59 ppm1=4.473 ppm2=3.760 assign ( resid 2083 and name HB ) ( resid 2068 and name HB# or resid 2083 and name HG13 or resid 2128 and name HG or resid 2135 and name HB2 ) 2.2 0.6 0.6 volume=1.439 peak=522 ppm1=2.198 ppm2=1.674 assign ( resid 2137 and name HA ) ( resid 2066 and name H or resid 2076 and name H or resid 2131 and name HE1 or resid 2133 and name HE1 or resid 2138 and name H ) 2.6 0.8 0.8 volume=0.620 peak=265 ppm1=4.381 ppm2=7.744 assign ( resid 2097 and name HG ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2097 and name HD2# or resid 2100 and name HD2# or resid 2100 and name HD1# or resid 2124 and name HG2# or resid 2128 and name HD1# or resid 2137 and name HG2# ) 1.9 0.5 0.5 volume=3.489 peak=943 ppm1=1.734 ppm2=1.010 assign ( resid 2061 and name HG3 ) ( resid 2061 and name HE21 or resid 2087 and name H or resid 2101 and name H or resid 2120 and name H ) 2.7 0.9 0.9 volume=0.484 peak=178 ppm1=2.518 ppm2=7.546 assign ( resid 2119 and name HD1# ) ( resid 2057 and name HE21 or resid 2083 and name H or resid 2086 and name H or resid 2089 and name HE# or resid 2112 and name H or resid 2126 and name HE1 ) 2.7 0.9 0.9 volume=0.455 peak=502 ppm1=0.210 ppm2=7.639 assign ( resid 2066 and name HB3 ) ( resid 2067 and name H or resid 2088 and name H ) 2.7 0.9 0.9 volume=0.464 peak=996 ppm1=1.793 ppm2=8.818 assign ( resid 2123 and name HD3 ) ( resid 2071 and name HB or resid 2099 and name HA or resid 2103 and name HA or resid 2123 and name HD2 ) 2.2 0.6 0.6 volume=1.578 peak=667 ppm1=3.422 ppm2=3.670 assign ( resid 2098 and name HB ) ( resid 2095 and name H or resid 2110 and name H or resid 2140 and name HE1 or resid 2140 and name H ) 2.9 1.1 1.1 volume=0.293 peak=239 ppm1=4.213 ppm2=8.051 assign ( resid 2135 and name HB3 ) ( resid 2062 and name HB or resid 2066 and name HA or resid 2080 and name HA or resid 2085 and name HA or resid 2117 and name HA or resid 2126 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 3.3 1.4 1.4 volume=0.142 peak=383 ppm1=1.640 ppm2=4.254 assign ( resid 2091 and name HA ) ( resid 2059 and name HG2 or resid 2089 and name HB3 or resid 2091 and name HB3 or resid 2091 and name HB2 or resid 2109 and name HB2 or resid 2131 and name HB2 ) 2.1 0.5 0.5 volume=2.223 peak=73 ppm1=4.635 ppm2=2.836 assign ( resid 2051 and name HB2 ) ( resid 2047 and name HA or resid 2050 and name HA or resid 2051 and name HA or resid 2052 and name HA or resid 2110 and name HA or resid 2140 and name HA ) 2.6 0.8 0.8 volume=0.577 peak=4 ppm1=1.610 ppm2=4.511 assign ( resid 2066 and name HA ) ( resid 2063 and name HG or resid 2066 and name HB3 or resid 2075 and name HG or resid 2090 and name HB3 or resid 2090 and name HD3 or resid 2090 and name HD2 or resid 2100 and name HG or resid 2106 and name HG or resid 2136 and name HG or resid 2136 and name HB3 ) 2.3 0.6 0.6 volume=1.349 peak=1003 ppm1=4.238 ppm2=1.795 assign ( resid 2123 and name HB2 ) ( resid 2050 and name HB3 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2060 and name HG2 or resid 2066 and name HB2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2106 and name HB3 or resid 2123 and name HG3 ) 2.5 0.8 0.8 volume=0.752 peak=650 ppm1=2.336 ppm2=1.969 assign ( resid 2130 and name HB2 ) ( resid 2052 and name HD21 or resid 2060 and name HE22 or resid 2108 and name HD2 or resid 2130 and name HE21 or resid 2130 and name HE22 or resid 2140 and name HD2 ) 3.2 1.3 1.3 volume=0.174 peak=198 ppm1=2.144 ppm2=7.053 assign ( resid 2093 and name HA2 ) ( resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.6 0.9 0.9 volume=0.540 peak=61 ppm1=4.471 ppm2=0.800 assign ( resid 2063 and name HA ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2056 and name HB2 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2063 and name HB3 or resid 2066 and name HB2 or resid 2080 and name HG2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2106 and name HB3 or resid 2123 and name HG3 or resid 2125 and name HB3 or resid 2128 and name HB2 ) 2.3 0.6 0.6 volume=1.309 peak=1023 ppm1=4.120 ppm2=1.994 assign ( resid 2122 and name HB3 ) ( resid 2060 and name HE21 or resid 2117 and name H or resid 2122 and name HD2 ) 3.1 1.2 1.2 volume=0.219 peak=1105 ppm1=3.163 ppm2=6.801 assign ( resid 2128 and name HD2# ) ( resid 2050 and name HG3 or resid 2068 and name HB# or resid 2083 and name HG13 or resid 2128 and name HG or resid 2135 and name HB3 or resid 2135 and name HB2 ) 2.0 0.5 0.5 volume=2.951 peak=872 ppm1=1.051 ppm2=1.649 assign ( resid 2106 and name HB3 ) ( resid 2058 and name HA or resid 2070 and name HA or resid 2076 and name HA3 or resid 2081 and name HA or resid 2089 and name HA or resid 2096 and name HA or resid 2100 and name HA or resid 2101 and name HA or resid 2106 and name HA or resid 2107 and name HA or resid 2110 and name HB or resid 2127 and name HA ) 2.5 0.8 0.8 volume=0.719 peak=880 ppm1=1.982 ppm2=4.168 assign ( resid 2125 and name HD3 ) ( resid 2055 and name H or resid 2081 and name H or resid 2126 and name H ) 3.2 1.3 1.3 volume=0.175 peak=696 ppm1=3.765 ppm2=9.072 assign ( resid 2083 and name HA or resid 2094 and name HA ) ( resid 2070 and name HB# or resid 2083 and name HG12 or resid 2094 and name HG12 or resid 2094 and name HG13 or resid 2102 and name HB3 or resid 2112 and name HG or resid 2114 and name HB3 ) 2.4 0.7 0.7 volume=1.058 peak=459 ppm1=4.032 ppm2=1.445 assign ( resid 2125 and name HA ) ( resid 2055 and name H or resid 2081 and name H or resid 2126 and name H ) 3.3 1.4 1.4 volume=0.138 peak=674 ppm1=4.119 ppm2=9.073 assign ( resid 2056 and name HD3 ) ( resid 2049 and name HG3 or resid 2056 and name HB3 or resid 2057 and name HG3 or resid 2057 and name HG2 or resid 2058 and name HG2 or resid 2058 and name HG3 or resid 2061 and name HG3 or resid 2131 and name HB3 ) 3.0 1.1 1.1 volume=0.263 peak=583 ppm1=3.958 ppm2=2.497 assign ( resid 2097 and name HA ) ( resid 2049 and name H or resid 2065 and name H or resid 2097 and name H or resid 2106 and name H or resid 2134 and name H or resid 2139 and name H ) 2.5 0.8 0.8 volume=0.677 peak=288 ppm1=4.433 ppm2=8.285 assign ( resid 2134 and name HA ) ( resid 2061 and name H or resid 2119 and name H or resid 2136 and name H ) 3.4 1.4 1.4 volume=0.122 peak=299 ppm1=3.708 ppm2=8.140 assign ( resid 2119 and name HG12 ) ( resid 2053 and name HA3 or resid 2059 and name HA or resid 2082 and name HB2 or resid 2085 and name HD2 or resid 2116 and name HD3 or resid 2119 and name HA or resid 2133 and name HA or resid 2139 and name HB2 or resid 2139 and name HB3 ) 2.9 1.0 1.0 volume=0.304 peak=489 ppm1=1.105 ppm2=3.861 assign ( resid 2123 and name HG3 ) ( resid 2123 and name HA ) 3.1 1.2 1.2 volume=0.191 peak=654 ppm1=1.968 ppm2=5.185 assign ( resid 2123 and name HB2 ) ( resid 2055 and name HB3 or resid 2082 and name HA or resid 2086 and name HA or resid 2088 and name HA or resid 2097 and name HA or resid 2104 and name HA or resid 2120 and name HA or resid 2124 and name HA or resid 2124 and name HB or resid 2129 and name HA or resid 2138 and name HA or resid 2139 and name HA ) 3.3 1.3 1.3 volume=0.147 peak=644 ppm1=2.335 ppm2=4.430 assign ( resid 2103 and name HA ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H ) 3.1 1.2 1.2 volume=0.207 peak=329 ppm1=3.704 ppm2=8.882 assign ( resid 2115 and name HG2 ) ( resid 2050 and name HB3 or resid 2060 and name HG2 or resid 2100 and name HB2 or resid 2100 and name HB3 or resid 2115 and name HG3 or resid 2121 and name HB3 or resid 2125 and name HG2 ) 1.9 0.5 0.5 volume=3.481 peak=616 ppm1=2.222 ppm2=1.919 assign ( resid 2112 and name HG ) ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2066 and name HG or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 2.4 0.7 0.7 volume=0.905 peak=357 ppm1=1.412 ppm2=1.598 assign ( resid 2135 and name HA ) ( resid 2068 and name HB# or resid 2083 and name HG13 or resid 2128 and name HG or resid 2135 and name HB3 or resid 2135 and name HB2 ) 2.3 0.7 0.7 volume=1.253 peak=369 ppm1=3.969 ppm2=1.664 assign ( resid 2136 and name HB3 ) ( resid 2097 and name HD1# or resid 2097 and name HD2# or resid 2136 and name HD2# or resid 2137 and name HG2# ) 2.4 0.7 0.7 volume=0.916 peak=835 ppm1=1.788 ppm2=0.973 assign ( resid 2060 and name HA ) ( resid 2057 and name HB3 or resid 2058 and name HB2 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2080 and name HG3 or resid 2080 and name HB3 or resid 2092 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB2 or resid 2103 and name HB3 or resid 2116 and name HG2 or resid 2116 and name HB2 or resid 2116 and name HG3 or resid 2130 and name HB2 or resid 2132 and name HG or resid 2138 and name HB3 ) 2.1 0.6 0.6 volume=2.098 peak=163 ppm1=3.537 ppm2=2.118 assign ( resid 2063 and name HD1# ) ( resid 2058 and name H or resid 2063 and name H or resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2131 and name H or resid 2135 and name H ) 2.3 0.7 0.7 volume=1.202 peak=1029 ppm1=0.879 ppm2=7.937 assign ( resid 2130 and name HA ) ( resid 2052 and name HD21 or resid 2060 and name HE22 or resid 2108 and name HD2 or resid 2130 and name HE21 or resid 2130 and name HE22 or resid 2140 and name HD2 ) 3.2 1.3 1.3 volume=0.176 peak=184 ppm1=3.997 ppm2=7.062 assign ( resid 2094 and name HB ) ( resid 2093 and name H or resid 2124 and name H ) 3.1 1.2 1.2 volume=0.201 peak=519 ppm1=1.730 ppm2=7.481 assign ( resid 2103 and name HG2 ) ( resid 2050 and name HD3 or resid 2050 and name HD2 or resid 2078 and name HB3 or resid 2103 and name HD2 or resid 2120 and name HB3 or resid 2140 and name HB2 ) 2.9 1.1 1.1 volume=0.290 peak=354 ppm1=1.407 ppm2=3.220 assign ( resid 2102 and name HB2 ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2123 and name HD2 or resid 2134 and name HA ) 2.7 0.9 0.9 volume=0.447 peak=902 ppm1=1.840 ppm2=3.702 assign ( resid 2124 and name HB ) ( resid 2050 and name HG2 or resid 2051 and name HB3 or resid 2092 and name HG or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2118 and name HB2 or resid 2127 and name HB# ) 3.2 1.3 1.3 volume=0.169 peak=285 ppm1=4.445 ppm2=1.721 assign ( resid 2064 and name HA ) ( resid 2049 and name H or resid 2052 and name H or resid 2065 and name H or resid 2084 and name H or resid 2097 and name H or resid 2106 and name H or resid 2134 and name H or resid 2139 and name H ) 2.9 1.1 1.1 volume=0.291 peak=8 ppm1=4.211 ppm2=8.301 assign ( resid 2095 and name HB2 ) ( resid 2049 and name H or resid 2052 and name H or resid 2065 and name H or resid 2097 and name H or resid 2106 and name H or resid 2134 and name H or resid 2139 and name H ) 3.6 1.6 1.6 volume=0.088 peak=77 ppm1=3.272 ppm2=8.287 assign ( resid 2119 and name HG2# ) ( resid 2059 and name HG2 or resid 2089 and name HB3 or resid 2091 and name HB3 or resid 2091 and name HB2 or resid 2109 and name HB2 or resid 2131 and name HB2 ) 2.6 0.9 0.9 volume=0.563 peak=480 ppm1=0.289 ppm2=2.845 assign ( resid 2135 and name HB2 ) ( resid 2058 and name H or resid 2063 and name H or resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2130 and name H or resid 2131 and name H or resid 2135 and name H ) 2.7 0.9 0.9 volume=0.499 peak=379 ppm1=1.682 ppm2=7.905 assign ( resid 2059 and name HB3 ) ( resid 2054 and name H or resid 2059 and name HE21 or resid 2109 and name HD22 ) 3.7 1.7 1.7 volume=0.072 peak=137 ppm1=2.601 ppm2=7.412 assign ( resid 2054 and name HB2 ) ( resid 2059 and name HG3 or resid 2081 and name HG2 or resid 2081 and name HG3 or resid 2116 and name HB3 or resid 2121 and name HB2 or resid 2122 and name HB2 or resid 2123 and name HB2 ) 3.1 1.2 1.2 volume=0.197 peak=1036 ppm1=1.556 ppm2=2.344 assign ( resid 2065 and name HG2# or resid 2105 and name HG2# or resid 2107 and name HG2# ) ( resid 2109 and name HD21 ) 2.4 0.7 0.7 volume=0.926 peak=236 ppm1=1.318 ppm2=7.360 assign ( resid 2133 and name HB2 ) ( resid 2053 and name HA3 or resid 2059 and name HA or resid 2082 and name HB2 or resid 2085 and name HD2 or resid 2116 and name HD3 or resid 2119 and name HA or resid 2133 and name HA or resid 2139 and name HB2 or resid 2139 and name HB3 ) 2.6 0.9 0.9 volume=0.543 peak=753 ppm1=2.983 ppm2=3.863 assign ( resid 2136 and name HA ) ( resid 2097 and name HD1# or resid 2136 and name HD2# or resid 2137 and name HG2# ) 2.0 0.5 0.5 volume=2.911 peak=834 ppm1=4.239 ppm2=0.969 assign ( resid 2103 and name HB2 ) ( resid 2048 and name HB3 or resid 2078 and name HB2 or resid 2090 and name HE2 or resid 2090 and name HE3 or resid 2103 and name HD3 or resid 2104 and name HB2 or resid 2135 and name HD3 or resid 2140 and name HB3 ) 3.3 1.4 1.4 volume=0.136 peak=345 ppm1=2.160 ppm2=3.060 assign ( resid 2117 and name HB ) ( resid 2062 and name HG2# or resid 2079 and name HG2# or resid 2114 and name HD1# or resid 2117 and name HG2# or resid 2132 and name HB3 or resid 2134 and name HG2# or resid 2135 and name HG3 or resid 2135 and name HG2 ) 2.0 0.5 0.5 volume=2.885 peak=260 ppm1=4.826 ppm2=1.200 assign ( resid 2115 and name HD3 ) ( resid 2050 and name HB3 or resid 2060 and name HG2 or resid 2100 and name HB2 or resid 2100 and name HB3 or resid 2115 and name HG3 or resid 2121 and name HB3 or resid 2125 and name HG2 ) 2.6 0.8 0.8 volume=0.593 peak=627 ppm1=3.984 ppm2=1.921 assign ( resid 2074 and name HB ) ( resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.5 0.8 0.8 volume=0.691 peak=448 ppm1=2.214 ppm2=0.789 assign ( resid 2132 and name HA ) ( resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.0 0.5 0.5 volume=2.977 peak=805 ppm1=3.560 ppm2=0.800 assign ( resid 2061 and name HB3 ) ( resid 2062 and name H or resid 2072 and name H ) 2.6 0.9 0.9 volume=0.550 peak=181 ppm1=2.208 ppm2=8.396 assign ( resid 2118 and name HD1# ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2123 and name HD2 or resid 2134 and name HA ) 2.3 0.7 0.7 volume=1.130 peak=1076 ppm1=0.928 ppm2=3.704 assign ( resid 2060 and name HB2 ) ( resid 2061 and name H or resid 2082 and name H or resid 2119 and name H or resid 2136 and name H ) 2.6 0.9 0.9 volume=0.538 peak=168 ppm1=1.963 ppm2=8.114 assign ( resid 2119 and name HD1# ) ( resid 2053 and name HA3 or resid 2059 and name HA or resid 2082 and name HB2 or resid 2085 and name HD2 or resid 2116 and name HD3 or resid 2119 and name HA or resid 2133 and name HA or resid 2139 and name HB2 or resid 2139 and name HB3 ) 2.0 0.5 0.5 volume=2.788 peak=498 ppm1=0.211 ppm2=3.863 assign ( resid 2128 and name HD1# ) ( resid 2050 and name HG3 or resid 2068 and name HB# or resid 2083 and name HG13 or resid 2128 and name HG or resid 2135 and name HB3 or resid 2135 and name HB2 ) 1.9 0.5 0.5 volume=3.625 peak=873 ppm1=1.009 ppm2=1.657 assign ( resid 2102 and name HB3 ) ( resid 2050 and name HB2 or resid 2054 and name HB3 or resid 2059 and name HB2 or resid 2063 and name HG or resid 2100 and name HG or resid 2102 and name HB2 or resid 2106 and name HG ) 2.3 0.6 0.6 volume=1.311 peak=903 ppm1=1.473 ppm2=1.840 assign ( resid 2137 and name HB ) ( resid 2066 and name H or resid 2076 and name H or resid 2131 and name HE1 or resid 2133 and name HE1 or resid 2138 and name H ) 2.9 1.0 1.0 volume=0.320 peak=267 ppm1=4.245 ppm2=7.743 assign ( resid 2068 and name HA ) ( resid 2068 and name H or resid 2070 and name H or resid 2102 and name H or resid 2105 and name H or resid 2113 and name H or resid 2132 and name H or resid 2133 and name H ) 2.4 0.7 0.7 volume=0.998 peak=9 ppm1=4.043 ppm2=8.570 assign ( resid 2123 and name HA ) ( resid 2050 and name HG2 or resid 2051 and name HB3 or resid 2090 and name HD3 or resid 2090 and name HD2 or resid 2092 and name HG or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2118 and name HB2 or resid 2127 and name HB# ) 3.1 1.2 1.2 volume=0.207 peak=637 ppm1=5.187 ppm2=1.731 assign ( resid 2049 and name HB3 ) ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HG or resid 2066 and name HG or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2119 and name HB or resid 2135 and name HB3 or resid 2136 and name HB2 ) 3.1 1.2 1.2 volume=0.210 peak=1146 ppm1=2.081 ppm2=1.611 assign ( resid 2075 and name HB3 ) ( resid 2051 and name HB2 or resid 2054 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2066 and name HG or resid 2069 and name HB# or resid 2075 and name HB2 or resid 2088 and name HB# or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2118 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 2.3 0.7 0.7 volume=1.181 peak=983 ppm1=1.379 ppm2=1.575 assign ( resid 2058 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 ) ( resid 2058 and name HA or resid 2061 and name HA or resid 2063 and name HA or resid 2076 and name HA3 or resid 2081 and name HA or resid 2100 and name HA or resid 2101 and name HA or resid 2105 and name HA or resid 2110 and name HB or resid 2111 and name HA3 or resid 2116 and name HA or resid 2125 and name HA or resid 2127 and name HA ) 2.0 0.5 0.5 volume=2.559 peak=104 ppm1=2.102 ppm2=4.138 assign ( resid 2059 and name HA ) ( resid 2062 and name H or resid 2072 and name H ) 3.2 1.3 1.3 volume=0.173 peak=109 ppm1=3.832 ppm2=8.391 assign ( resid 2118 and name HA ) ( resid 2054 and name HB2 or resid 2064 and name HB# or resid 2069 and name HB# or resid 2075 and name HB2 or resid 2088 and name HB# or resid 2090 and name HG2 or resid 2118 and name HG or resid 2136 and name HB2 ) 2.6 0.9 0.9 volume=0.523 peak=1055 ppm1=4.067 ppm2=1.547 assign ( resid 2133 and name HB3 ) ( resid 2057 and name H or resid 2068 and name H or resid 2070 and name H or resid 2105 and name H or resid 2113 and name H or resid 2133 and name H ) 2.5 0.8 0.8 volume=0.775 peak=748 ppm1=3.289 ppm2=8.553 assign ( resid 2103 and name HA ) ( resid 2052 and name HD22 or resid 2066 and name H or resid 2076 and name H or resid 2092 and name H or resid 2103 and name H ) 2.6 0.8 0.8 volume=0.583 peak=328 ppm1=3.703 ppm2=7.788 assign ( resid 2136 and name HD2# ) ( resid 2066 and name HB3 or resid 2075 and name HG or resid 2090 and name HB3 or resid 2090 and name HD3 or resid 2090 and name HD2 or resid 2097 and name HB3 or resid 2136 and name HG or resid 2136 and name HB3 ) 1.8 0.4 0.4 volume=4.701 peak=848 ppm1=0.969 ppm2=1.770 assign ( resid 2063 and name HA ) ( resid 2058 and name H or resid 2063 and name H or resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2131 and name H or resid 2135 and name H ) 2.6 0.9 0.9 volume=0.558 peak=1015 ppm1=4.119 ppm2=7.935 assign ( resid 2125 and name HA ) ( resid 2067 and name HG2# or resid 2118 and name HD2# or resid 2119 and name HG12 or resid 2129 and name HG2# ) 2.3 0.7 0.7 volume=1.207 peak=680 ppm1=4.118 ppm2=1.131 assign ( resid 2083 and name HD1# ) ( resid 2071 and name HA or resid 2075 and name HA or resid 2080 and name HA or resid 2090 and name HA or resid 2105 and name HB or resid 2112 and name HA or resid 2126 and name HA ) 2.3 0.6 0.6 volume=1.334 peak=1132 ppm1=0.746 ppm2=4.299 assign ( resid 2102 and name HB3 ) ( resid 2119 and name HD1# ) 3.2 1.3 1.3 volume=0.174 peak=913 ppm1=1.475 ppm2=0.208 assign ( resid 2092 and name HG ) ( resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 1.9 0.5 0.5 volume=3.769 peak=975 ppm1=1.709 ppm2=0.786 assign ( resid 2060 and name HA ) ( resid 2060 and name H or resid 2108 and name H or resid 2121 and name H ) 2.4 0.7 0.7 volume=0.976 peak=159 ppm1=3.537 ppm2=7.975 assign ( resid 2056 and name HB2 ) ( resid 2049 and name HG3 or resid 2056 and name HB3 or resid 2058 and name HG2 or resid 2058 and name HG3 or resid 2061 and name HG3 or resid 2131 and name HB3 ) 2.0 0.5 0.5 volume=2.901 peak=575 ppm1=2.015 ppm2=2.505 assign ( resid 2121 and name HA ) ( resid 2120 and name HE# or resid 2122 and name HE1 or resid 2122 and name H ) 2.7 0.9 0.9 volume=0.439 peak=15 ppm1=4.056 ppm2=7.319 assign ( resid 2066 and name HA ) ( resid 2063 and name HB2 or resid 2065 and name HG2# or resid 2086 and name HB# or resid 2102 and name HG or resid 2105 and name HG2# or resid 2107 and name HG2# or resid 2125 and name HG3 ) 2.7 0.9 0.9 volume=0.475 peak=1009 ppm1=4.237 ppm2=1.326 assign ( resid 2119 and name HA ) ( resid 2057 and name HE21 or resid 2083 and name H or resid 2086 and name H or resid 2089 and name HE# or resid 2094 and name H or resid 2126 and name HE1 or resid 2138 and name HE21 ) 3.3 1.4 1.4 volume=0.139 peak=514 ppm1=3.863 ppm2=7.629 assign ( resid 2136 and name HD1# ) ( resid 2047 and name HB2 or resid 2047 and name HB3 or resid 2053 and name HA3 or resid 2059 and name HA or resid 2082 and name HB2 or resid 2085 and name HD2 or resid 2119 and name HA or resid 2133 and name HA or resid 2139 and name HB2 or resid 2139 and name HB3 ) 2.4 0.7 0.7 volume=0.912 peak=844 ppm1=0.877 ppm2=3.847 assign ( resid 2099 and name HA ) ( resid 2083 and name HD1# or resid 2094 and name HG2# or resid 2094 and name HD1# or resid 2112 and name HD1# or resid 2119 and name HG13 ) 2.1 0.5 0.5 volume=2.173 peak=25 ppm1=3.702 ppm2=0.729 assign ( resid 2125 and name HA ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H or resid 2129 and name H ) 2.9 1.0 1.0 volume=0.321 peak=675 ppm1=4.120 ppm2=8.904 assign ( resid 2103 and name HD2 ) ( resid 2057 and name HB3 or resid 2058 and name HB2 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2080 and name HB3 or resid 2092 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB3 or resid 2116 and name HB2 or resid 2132 and name HG or resid 2138 and name HB3 ) 2.9 1.0 1.0 volume=0.334 peak=360 ppm1=3.229 ppm2=2.109 assign ( resid 2091 and name HB3 or resid 2091 and name HB2 ) ( resid 2091 and name H or resid 2100 and name H or resid 2120 and name HD# ) 2.4 0.7 0.7 volume=0.930 peak=74 ppm1=2.835 ppm2=7.195 assign ( resid 2122 and name HB3 ) ( resid 2050 and name HG2 or resid 2051 and name HB3 or resid 2083 and name HG13 or resid 2092 and name HG or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2118 and name HB2 or resid 2127 and name HB# ) 2.9 1.0 1.0 volume=0.305 peak=1112 ppm1=3.165 ppm2=1.713 assign ( resid 2132 and name HA ) ( resid 2049 and name HB3 or resid 2058 and name HB2 or resid 2080 and name HB3 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG3 or resid 2085 and name HG2 or resid 2097 and name HB2 or resid 2103 and name HB3 or resid 2115 and name HB3 or resid 2118 and name HB3 or resid 2123 and name HG2 or resid 2125 and name HB3 or resid 2130 and name HB3 or resid 2132 and name HB2 or resid 2138 and name HB2 ) 2.5 0.8 0.8 volume=0.684 peak=802 ppm1=3.560 ppm2=2.058 assign ( resid 2119 and name HG2# ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2123 and name HD2 or resid 2134 and name HA ) 2.6 0.8 0.8 volume=0.597 peak=479 ppm1=0.289 ppm2=3.703 assign ( resid 2115 and name HB3 ) ( resid 2060 and name HE21 or resid 2117 and name H or resid 2122 and name HD2 ) 2.5 0.8 0.8 volume=0.654 peak=613 ppm1=2.031 ppm2=6.818 assign ( resid 2083 and name HG13 ) ( resid 2062 and name HB or resid 2075 and name HA or resid 2080 and name HA or resid 2105 and name HB or resid 2112 and name HA or resid 2117 and name HA or resid 2126 and name HA or resid 2131 and name HA or resid 2134 and name HB ) 2.5 0.8 0.8 volume=0.693 peak=1143 ppm1=1.687 ppm2=4.281 assign ( resid 2089 and name HD# ) ( resid 2075 and name HD1# or resid 2083 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2094 and name HD1# or resid 2106 and name HD2# or resid 2132 and name HD1# ) 2.5 0.8 0.8 volume=0.745 peak=1095 ppm1=7.157 ppm2=0.769 assign ( resid 2092 and name HB2 ) ( resid 2092 and name HD2# or resid 2097 and name HD1# or resid 2114 and name HD2# or resid 2118 and name HD1# ) 2.5 0.8 0.8 volume=0.729 peak=973 ppm1=2.120 ppm2=0.922 assign ( resid 2095 and name HB2 ) ( resid 2055 and name HB2 or resid 2056 and name HD2 or resid 2065 and name HA or resid 2068 and name HA or resid 2074 and name HA or resid 2083 and name HA or resid 2087 and name HA or resid 2094 and name HA or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2121 and name HA or resid 2130 and name HA ) 3.3 1.3 1.3 volume=0.146 peak=86 ppm1=3.279 ppm2=4.028 assign ( resid 2060 and name HB3 ) ( resid 2050 and name HB3 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2060 and name HG2 or resid 2066 and name HB2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2106 and name HB3 or resid 2123 and name HG3 ) 1.6 0.3 0.3 volume=9.930 peak=172 ppm1=2.113 ppm2=1.964 assign ( resid 2067 and name HA ) ( resid 2071 and name H or resid 2073 and name H ) 3.2 1.2 1.2 volume=0.182 peak=438 ppm1=3.530 ppm2=8.204 assign ( resid 2066 and name HB2 ) ( resid 2062 and name HB or resid 2064 and name HA or resid 2066 and name HA or resid 2080 and name HA or resid 2085 and name HA or resid 2098 and name HB or resid 2117 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 2.4 0.7 0.7 volume=1.024 peak=1001 ppm1=1.978 ppm2=4.233 assign ( resid 2057 and name HG3 or resid 2057 and name HG2 or resid 2061 and name HG2 ) ( resid 2056 and name HG3 or resid 2057 and name HB3 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2061 and name HB2 or resid 2080 and name HG3 or resid 2080 and name HB2 or resid 2092 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB2 or resid 2116 and name HG2 or resid 2116 and name HG3 or resid 2130 and name HG2 or resid 2130 and name HB2 or resid 2132 and name HG or resid 2138 and name HB3 ) 1.9 0.4 0.4 volume=4.375 peak=103 ppm1=2.449 ppm2=2.135 assign ( resid 2135 and name HG3 or resid 2135 and name HG2 ) ( resid 2048 and name HB3 or resid 2078 and name HB2 or resid 2090 and name HE2 or resid 2090 and name HE3 or resid 2103 and name HD3 or resid 2104 and name HB2 or resid 2135 and name HD3 or resid 2140 and name HB3 ) 2.4 0.7 0.7 volume=0.865 peak=394 ppm1=1.187 ppm2=3.066 assign ( resid 2120 and name HB2 ) ( resid 2062 and name HG2# or resid 2079 and name HG2# or resid 2114 and name HD1# or resid 2117 and name HG2# or resid 2132 and name HB3 or resid 2134 and name HG2# or resid 2135 and name HG3 or resid 2135 and name HG2 ) 3.2 1.3 1.3 volume=0.180 peak=1088 ppm1=2.988 ppm2=1.213 assign ( resid 2083 and name HD1# ) ( resid 2053 and name HA2 or resid 2055 and name HB2 or resid 2056 and name HD2 or resid 2065 and name HA or resid 2068 and name HA or resid 2083 and name HA or resid 2085 and name HD3 or resid 2087 and name HA or resid 2094 and name HA or resid 2096 and name HB3 or resid 2118 and name HA or resid 2121 and name HA ) 2.0 0.5 0.5 volume=2.629 peak=534 ppm1=0.746 ppm2=4.038 assign ( resid 2132 and name HA ) ( resid 2061 and name H or resid 2119 and name H or resid 2136 and name H ) 3.3 1.4 1.4 volume=0.135 peak=799 ppm1=3.561 ppm2=8.140 assign ( resid 2062 and name HA ) ( resid 2062 and name HB or resid 2080 and name HA or resid 2112 and name HA or resid 2117 and name HA or resid 2126 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 2.3 0.7 0.7 volume=1.134 peak=217 ppm1=3.983 ppm2=4.273 assign ( resid 2075 and name HG ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2123 and name HD2 or resid 2134 and name HA ) 3.2 1.3 1.3 volume=0.163 peak=985 ppm1=1.771 ppm2=3.703 assign ( resid 2061 and name HA ) ( resid 2062 and name H or resid 2072 and name H ) 2.9 1.0 1.0 volume=0.322 peak=176 ppm1=4.114 ppm2=8.393 assign ( resid 2115 and name HG2 ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2134 and name HA ) 2.5 0.8 0.8 volume=0.747 peak=621 ppm1=2.223 ppm2=3.712 assign ( resid 2127 and name HB# ) ( resid 2048 and name HD2 or resid 2089 and name HZ or resid 2126 and name HD2 or resid 2138 and name HE22 ) 2.9 1.1 1.1 volume=0.275 peak=52 ppm1=1.715 ppm2=6.926 assign ( resid 2103 and name HA ) ( resid 2068 and name H or resid 2070 and name H or resid 2102 and name H or resid 2105 and name H or resid 2113 and name H or resid 2133 and name H ) 3.4 1.5 1.5 volume=0.107 peak=330 ppm1=3.703 ppm2=8.566 assign ( resid 2137 and name HG2# ) ( resid 2056 and name HA or resid 2079 and name HB or resid 2092 and name HA or resid 2104 and name HA or resid 2108 and name HA or resid 2120 and name HA or resid 2129 and name HA or resid 2137 and name HA or resid 2138 and name HA ) 1.9 0.5 0.5 volume=3.568 peak=273 ppm1=0.999 ppm2=4.385 assign ( resid 2090 and name HA ) ( resid 2089 and name HD# or resid 2091 and name H or resid 2120 and name HD# ) 2.6 0.9 0.9 volume=0.530 peak=406 ppm1=4.319 ppm2=7.192 assign ( resid 2092 and name HB2 ) ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HG or resid 2066 and name HG or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2119 and name HB or resid 2135 and name HB3 ) 2.3 0.6 0.6 volume=1.368 peak=970 ppm1=2.121 ppm2=1.614 assign ( resid 2062 and name HG2# ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H or resid 2129 and name H ) 3.3 1.4 1.4 volume=0.135 peak=216 ppm1=1.205 ppm2=8.897 assign ( resid 2115 and name HG3 ) ( resid 2074 and name HB or resid 2083 and name HB or resid 2115 and name HG2 or resid 2128 and name HB3 or resid 2130 and name HG3 ) 2.0 0.5 0.5 volume=2.818 peak=617 ppm1=1.917 ppm2=2.223 assign ( resid 2140 and name HD2 ) ( resid 2047 and name HA or resid 2050 and name HA or resid 2052 and name HA or resid 2055 and name HB3 or resid 2086 and name HA or resid 2088 and name HA or resid 2093 and name HA2 or resid 2124 and name HA or resid 2124 and name HB or resid 2139 and name HA or resid 2140 and name HA ) 2.9 1.0 1.0 volume=0.331 peak=746 ppm1=7.061 ppm2=4.470 assign ( resid 2059 and name HB3 ) ( resid 2050 and name HB2 or resid 2059 and name HB2 or resid 2063 and name HG or resid 2100 and name HG or resid 2102 and name HB2 or resid 2106 and name HG ) 2.5 0.8 0.8 volume=0.810 peak=125 ppm1=2.600 ppm2=1.839 assign ( resid 2132 and name HB2 ) ( resid 2068 and name H or resid 2070 and name H or resid 2102 and name H or resid 2113 and name H or resid 2132 and name H ) 2.7 0.9 0.9 volume=0.486 peak=808 ppm1=2.042 ppm2=8.590 assign ( resid 2118 and name HB2 ) ( resid 2049 and name HB3 or resid 2058 and name HB2 or resid 2080 and name HG2 or resid 2080 and name HB3 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG3 or resid 2085 and name HG2 or resid 2097 and name HB2 or resid 2103 and name HB3 or resid 2115 and name HB3 or resid 2118 and name HB3 or resid 2123 and name HG2 or resid 2125 and name HB3 or resid 2130 and name HB3 or resid 2132 and name HB2 or resid 2138 and name HB2 ) 2.4 0.7 0.7 volume=0.840 peak=1059 ppm1=1.720 ppm2=2.057 assign ( resid 2049 and name HB2 ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD1# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 2.5 0.8 0.8 volume=0.694 peak=432 ppm1=2.003 ppm2=0.868 assign ( resid 2099 and name HB# ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2123 and name HD2 or resid 2134 and name HA ) 1.9 0.5 0.5 volume=3.428 peak=40 ppm1=1.254 ppm2=3.703 assign ( resid 2050 and name HB3 ) ( resid 2050 and name HB2 or resid 2059 and name HB2 or resid 2063 and name HG or resid 2100 and name HG or resid 2102 and name HB2 or resid 2106 and name HG ) 1.8 0.4 0.4 volume=5.775 peak=317 ppm1=1.939 ppm2=1.839 assign ( resid 2138 and name HG3 or resid 2138 and name HG2 ) ( resid 2062 and name HG2# or resid 2079 and name HG2# or resid 2099 and name HB# or resid 2114 and name HD1# or resid 2117 and name HG2# or resid 2132 and name HB3 or resid 2134 and name HG2# or resid 2135 and name HG3 or resid 2135 and name HG2 ) 2.4 0.7 0.7 volume=0.856 peak=202 ppm1=2.422 ppm2=1.221 assign ( resid 2082 and name HB2 or resid 2139 and name HB2 or resid 2139 and name HB3 ) ( resid 2052 and name HA or resid 2055 and name HB3 or resid 2082 and name HA or resid 2086 and name HA or resid 2088 and name HA or resid 2093 and name HA2 or resid 2097 and name HA or resid 2120 and name HA or resid 2124 and name HA or resid 2124 and name HB or resid 2129 and name HA or resid 2139 and name HA or resid 2140 and name HA ) 1.7 0.4 0.4 volume=6.961 peak=308 ppm1=3.871 ppm2=4.445 assign ( resid 2097 and name HB2 or resid 2132 and name HB2 ) ( resid 2055 and name HB3 or resid 2082 and name HA or resid 2086 and name HA or resid 2088 and name HA or resid 2097 and name HA or resid 2104 and name HA or resid 2120 and name HA or resid 2124 and name HA or resid 2124 and name HB or resid 2129 and name HA or resid 2138 and name HA or resid 2139 and name HA ) 2.2 0.6 0.6 volume=1.562 peak=815 ppm1=2.041 ppm2=4.430 assign ( resid 2119 and name HG12 ) ( resid 2071 and name HG2# or resid 2073 and name HG2# or resid 2079 and name HG2# or resid 2099 and name HB# or resid 2110 and name HG2# or resid 2114 and name HD1# or resid 2134 and name HG2# ) 2.6 0.8 0.8 volume=0.595 peak=494 ppm1=1.105 ppm2=1.255 assign ( resid 2127 and name HA ) ( resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2130 and name H or resid 2131 and name H or resid 2135 and name H ) 2.6 0.9 0.9 volume=0.522 peak=46 ppm1=4.157 ppm2=7.895 assign ( resid 2095 and name HB3 ) ( resid 2084 and name HA or resid 2095 and name HA ) 2.8 1.0 1.0 volume=0.396 peak=81 ppm1=2.697 ppm2=4.891 assign ( resid 2055 and name HB3 ) ( resid 2055 and name HB2 or resid 2056 and name HD2 or resid 2065 and name HA or resid 2068 and name HA or resid 2074 and name HA or resid 2083 and name HA or resid 2087 and name HA or resid 2094 and name HA or resid 2096 and name HB3 or resid 2118 and name HA or resid 2121 and name HA ) 2.3 0.7 0.7 volume=1.254 peak=304 ppm1=4.442 ppm2=4.034 assign ( resid 2116 and name HG2 or resid 2116 and name HG3 ) ( resid 2059 and name HG3 or resid 2116 and name HB3 or resid 2121 and name HB2 or resid 2122 and name HB2 or resid 2123 and name HB2 ) 2.0 0.5 0.5 volume=3.180 peak=597 ppm1=2.146 ppm2=2.356 assign ( resid 2094 and name HG2# ) ( resid 2059 and name HG2 or resid 2089 and name HB3 or resid 2091 and name HB3 or resid 2091 and name HB2 or resid 2109 and name HB2 or resid 2131 and name HB2 ) 2.6 0.8 0.8 volume=0.612 peak=553 ppm1=0.715 ppm2=2.851 assign ( resid 2123 and name HG3 ) ( resid 2123 and name HD3 ) 2.6 0.9 0.9 volume=0.527 peak=656 ppm1=1.970 ppm2=3.429 assign ( resid 2090 and name HE2 or resid 2090 and name HE3 ) ( resid 2050 and name HB3 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2060 and name HG2 or resid 2066 and name HB2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2106 and name HB3 or resid 2123 and name HG3 ) 2.8 1.0 1.0 volume=0.395 peak=425 ppm1=3.045 ppm2=1.963 assign ( resid 2097 and name HB3 ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2049 and name HB3 or resid 2056 and name HB2 or resid 2080 and name HG2 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG3 or resid 2085 and name HG2 or resid 2097 and name HB2 or resid 2115 and name HB3 or resid 2118 and name HB3 or resid 2123 and name HG2 or resid 2125 and name HB3 or resid 2128 and name HB2 or resid 2130 and name HB3 or resid 2132 and name HB2 or resid 2138 and name HB2 ) 1.7 0.4 0.4 volume=6.480 peak=942 ppm1=1.737 ppm2=2.040 assign ( resid 2133 and name HB3 ) ( resid 2120 and name HB2 or resid 2133 and name HB2 ) 2.2 0.6 0.6 volume=1.389 peak=750 ppm1=3.289 ppm2=2.984 assign ( resid 2063 and name HA ) ( resid 2063 and name HB2 or resid 2065 and name HG2# or resid 2086 and name HB# or resid 2102 and name HG or resid 2105 and name HG2# or resid 2107 and name HG2# or resid 2125 and name HG3 ) 2.5 0.8 0.8 volume=0.680 peak=1026 ppm1=4.123 ppm2=1.323 assign ( resid 2090 and name HB3 ) ( resid 2054 and name HB2 or resid 2069 and name HB# or resid 2088 and name HB# or resid 2090 and name HG2 or resid 2118 and name HG ) 2.1 0.5 0.5 volume=2.132 peak=410 ppm1=1.779 ppm2=1.530 assign ( resid 2122 and name HD2 ) ( resid 2050 and name HB3 or resid 2054 and name HB3 or resid 2100 and name HB2 or resid 2100 and name HB3 or resid 2115 and name HG3 or resid 2121 and name HB3 or resid 2125 and name HG2 ) 3.0 1.2 1.2 volume=0.227 peak=1116 ppm1=6.800 ppm2=1.908 ) ) 2.9 1.0 1.0 volume=0.327 peak=1119 ppm1=0.856 ppm2=7.409 assign ( resid 2116 and name HB3 ) ( resid 2057 and name HA or resid 2061 and name HA or resid 2063 and name HA or resid 2069 and name HA or resid 2076 and name HA3 or resid 2081 and name HA or resid 2098 and name HA or resid 2105 and name HA or resid 2111 and name HA3 or resid 2116 and name HA or resid 2125 and name HA or resid 2128 and name HA ) 2.2 0.6 0.6 volume=1.812 peak=725 ppm1=2.358 ppm2=4.106 assign ( resid 2133 and name HE1 ) ( resid 2056 and name HG3 or resid 2057 and name HB3 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2061 and name HB2 or resid 2080 and name HG3 or resid 2080 and name HB2 or resid 2080 and name HB3 or resid 2092 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB2 or resid 2103 and name HB3 or resid 2116 and name HG2 or resid 2116 and name HB2 or resid 2116 and name HG3 or resid 2130 and name HB2 or resid 2132 and name HG or resid 2138 and name HB3 ) 3.0 1.2 1.2 volume=0.224 peak=793 ppm1=7.744 ppm2=2.124 assign ( resid 2059 and name HG3 ) ( resid 2059 and name HB3 or resid 2125 and name HD2 ) 2.9 1.0 1.0 volume=0.310 peak=144 ppm1=2.339 ppm2=2.590 assign ( resid 2090 and name HG2 ) ( resid 2050 and name HB3 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2060 and name HG2 or resid 2066 and name HB2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2106 and name HB3 or resid 2123 and name HG3 ) 2.3 0.7 0.7 volume=1.236 peak=415 ppm1=1.541 ppm2=1.967 assign ( resid 2116 and name HB2 ) ( resid 2059 and name HG3 or resid 2116 and name HB3 or resid 2121 and name HB2 or resid 2122 and name HB2 or resid 2123 and name HB2 ) 1.9 0.4 0.4 volume=4.242 peak=727 ppm1=2.092 ppm2=2.357 assign ( resid 2083 and name HB ) ( resid 2070 and name HB# or resid 2083 and name HG12 or resid 2094 and name HG12 or resid 2094 and name HG13 or resid 2102 and name HB3 ) 2.5 0.8 0.8 volume=0.822 peak=523 ppm1=2.198 ppm2=1.454 assign ( resid 2102 and name HA ) ( resid 2050 and name HB2 or resid 2059 and name HB2 or resid 2063 and name HG or resid 2100 and name HG or resid 2102 and name HB2 or resid 2106 and name HG ) 2.5 0.8 0.8 volume=0.671 peak=367 ppm1=3.976 ppm2=1.836 assign ( resid 2119 and name HG2# ) ( resid 2061 and name HE21 or resid 2093 and name H or resid 2101 and name H or resid 2120 and name H ) 2.9 1.0 1.0 volume=0.319 peak=472 ppm1=0.289 ppm2=7.521 assign ( resid 2136 and name HD1# ) ( resid 2058 and name HA or resid 2070 and name HA or resid 2076 and name HA3 or resid 2081 and name HA or resid 2089 and name HA or resid 2096 and name HA or resid 2100 and name HA or resid 2101 and name HA or resid 2105 and name HA or resid 2106 and name HA or resid 2107 and name HA or resid 2110 and name HB or resid 2111 and name HA3 or resid 2127 and name HA ) 2.4 0.7 0.7 volume=0.834 peak=843 ppm1=0.872 ppm2=4.158 assign ( resid 2066 and name HD1# ) ( resid 2067 and name H or resid 2088 and name H ) 2.8 1.0 1.0 volume=0.376 peak=1013 ppm1=0.803 ppm2=8.819 assign ( resid 2115 and name HB2 ) ( resid 2061 and name HB3 or resid 2074 and name HB or resid 2083 and name HB or resid 2115 and name HG2 or resid 2128 and name HB3 or resid 2130 and name HG3 ) 2.4 0.7 0.7 volume=0.978 peak=736 ppm1=2.457 ppm2=2.221 assign ( resid 2130 and name HG3 ) ( resid 2067 and name HG2# or resid 2067 and name HG1# or resid 2106 and name HB2 or resid 2112 and name HB2 or resid 2118 and name HD2# or resid 2119 and name HG12 or resid 2129 and name HG2# ) 3.0 1.1 1.1 volume=0.255 peak=196 ppm1=2.233 ppm2=1.096 assign ( resid 2090 and name HA ) ( resid 2083 and name HD1# or resid 2094 and name HG2# or resid 2094 and name HD1# or resid 2112 and name HD1# or resid 2119 and name HG13 ) 2.6 0.8 0.8 volume=0.607 peak=408 ppm1=4.319 ppm2=0.721 assign ( resid 2122 and name HD2 ) ( resid 2122 and name HB3 ) 3.0 1.2 1.2 volume=0.226 peak=1114 ppm1=6.801 ppm2=3.162 assign ( resid 2052 and name HA ) ( resid 2052 and name HD21 or resid 2059 and name HE22 or resid 2130 and name HE22 ) 3.1 1.2 1.2 volume=0.211 peak=68 ppm1=4.477 ppm2=7.106 assign ( resid 2100 and name HA ) ( resid 2054 and name HB3 or resid 2100 and name HB2 or resid 2100 and name HB3 or resid 2121 and name HB3 ) 2.1 0.5 0.5 volume=2.135 peak=925 ppm1=4.151 ppm2=1.881 assign ( resid 2066 and name HB2 ) ( resid 2063 and name HG or resid 2066 and name HB3 or resid 2075 and name HG or resid 2090 and name HB3 or resid 2090 and name HD3 or resid 2090 and name HD2 or resid 2100 and name HG or resid 2106 and name HG or resid 2136 and name HG or resid 2136 and name HB3 ) 2.0 0.5 0.5 volume=2.597 peak=1006 ppm1=1.980 ppm2=1.791 assign ( resid 2119 and name HG2# ) ( resid 2071 and name HG2# or resid 2073 and name HG2# or resid 2079 and name HG2# or resid 2099 and name HB# or resid 2110 and name HG2# or resid 2114 and name HD1# or resid 2134 and name HG2# ) 2.1 0.6 0.6 volume=1.931 peak=484 ppm1=0.289 ppm2=1.255 assign ( resid 2135 and name HA ) ( resid 2104 and name HB3 or resid 2126 and name HB3 or resid 2126 and name HB2 or resid 2135 and name HD2 ) 2.8 0.9 0.9 volume=0.414 peak=372 ppm1=3.969 ppm2=2.912 assign ( resid 2120 and name HE# ) ( resid 2062 and name HG2# or resid 2071 and name HG2# or resid 2079 and name HG2# or resid 2099 and name HB# or resid 2110 and name HG2# or resid 2114 and name HD1# or resid 2132 and name HB3 or resid 2134 and name HG2# ) 2.8 0.9 0.9 volume=0.414 peak=1089 ppm1=7.296 ppm2=1.238 assign ( resid 2075 and name HA ) ( resid 2072 and name HB# or resid 2075 and name HB3 or resid 2087 and name HG2# or resid 2098 and name HG2# or resid 2103 and name HG2 or resid 2112 and name HG or resid 2114 and name HB3 or resid 2125 and name HG3 ) 2.3 0.7 0.7 volume=1.247 peak=982 ppm1=4.313 ppm2=1.381 assign ( resid 2102 and name HB2 ) ( resid 2070 and name HB# or resid 2083 and name HG12 or resid 2090 and name HG3 or resid 2094 and name HG12 or resid 2094 and name HG13 or resid 2102 and name HB3 ) 2.3 0.7 0.7 volume=1.255 peak=904 ppm1=1.839 ppm2=1.469 assign ( resid 2140 and name HB2 ) ( resid 2052 and name HD21 or resid 2060 and name HE22 or resid 2108 and name HD2 or resid 2130 and name HE21 or resid 2130 and name HE22 or resid 2140 and name HD2 ) 2.9 1.0 1.0 volume=0.324 peak=741 ppm1=3.198 ppm2=7.062 assign ( resid 2099 and name HB# ) ( resid 2061 and name HE21 or resid 2087 and name H or resid 2101 and name H or resid 2120 and name H ) 2.9 1.0 1.0 volume=0.316 peak=42 ppm1=1.255 ppm2=7.546 assign ( resid 2065 and name HB ) ( resid 2066 and name H or resid 2076 and name H or resid 2103 and name H or resid 2131 and name HE1 or resid 2133 and name HE1 or resid 2138 and name H ) 2.4 0.7 0.7 volume=1.031 peak=229 ppm1=4.341 ppm2=7.773 assign ( resid 2119 and name HA ) ( resid 2119 and name HG2# ) 2.2 0.6 0.6 volume=1.528 peak=506 ppm1=3.864 ppm2=0.290 assign ( resid 2128 and name HB3 ) ( resid 2057 and name HE21 or resid 2089 and name HE# or resid 2112 and name H or resid 2126 and name HE1 ) 3.1 1.2 1.2 volume=0.220 peak=857 ppm1=2.243 ppm2=7.644 assign ( resid 2054 and name HB3 ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD1# or resid 2063 and name HD2# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 2.3 0.7 0.7 volume=1.254 peak=1042 ppm1=1.875 ppm2=0.858 assign ( resid 2115 and name HB3 ) ( resid 2079 and name HA or resid 2114 and name HA or resid 2115 and name HA ) 2.9 1.1 1.1 volume=0.299 peak=615 ppm1=2.031 ppm2=4.944 assign ( resid 2103 and name HG3 ) ( resid 2057 and name HA or resid 2061 and name HA or resid 2063 and name HA or resid 2076 and name HA3 or resid 2081 and name HA or resid 2098 and name HA or resid 2100 and name HA or resid 2101 and name HA or resid 2105 and name HA or resid 2111 and name HA3 or resid 2116 and name HA or resid 2125 and name HA or resid 2128 and name HA ) 2.8 1.0 1.0 volume=0.371 peak=358 ppm1=1.958 ppm2=4.114 assign ( resid 2075 and name HD1# ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2134 and name HA ) 2.6 0.8 0.8 volume=0.614 peak=988 ppm1=0.794 ppm2=3.708 assign ( resid 2122 and name HD2 ) ( resid 2059 and name HG3 or resid 2081 and name HG2 or resid 2081 and name HG3 or resid 2116 and name HB3 or resid 2121 and name HB2 or resid 2122 and name HB2 or resid 2123 and name HB2 ) 2.8 0.9 0.9 volume=0.413 peak=1115 ppm1=6.801 ppm2=2.352 assign ( resid 2050 and name HB3 ) ( resid 2050 and name H or resid 2051 and name H or resid 2078 and name H or resid 2079 and name H ) 3.0 1.1 1.1 volume=0.250 peak=319 ppm1=1.939 ppm2=8.724 assign ( resid 2118 and name HG ) ( resid 2092 and name HD2# or resid 2097 and name HD1# or resid 2114 and name HD2# or resid 2118 and name HD1# ) 2.2 0.6 0.6 volume=1.423 peak=1071 ppm1=1.548 ppm2=0.920 assign ( resid 2051 and name HG ) ( resid 2052 and name HD21 or resid 2059 and name HE22 or resid 2130 and name HE22 ) 3.5 1.6 1.6 volume=0.091 peak=1052 ppm1=1.623 ppm2=7.098 assign ( resid 2136 and name HB2 ) ( resid 2061 and name H or resid 2082 and name H or resid 2119 and name H or resid 2136 and name H ) 2.6 0.8 0.8 volume=0.592 peak=827 ppm1=1.566 ppm2=8.138 assign ( resid 2059 and name HA ) ( resid 2054 and name H or resid 2059 and name HE21 or resid 2109 and name HD22 or resid 2124 and name H ) 3.3 1.4 1.4 volume=0.139 peak=111 ppm1=3.837 ppm2=7.415 assign ( resid 2092 and name HB2 ) ( resid 2048 and name HE1 or resid 2052 and name HD22 or resid 2092 and name H or resid 2103 and name H or resid 2104 and name HD22 or resid 2108 and name HE1 ) 2.6 0.8 0.8 volume=0.613 peak=957 ppm1=2.122 ppm2=7.820 assign ( resid 2135 and name HG3 or resid 2135 and name HG2 ) ( resid 2058 and name H or resid 2063 and name H or resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2130 and name H or resid 2131 and name H or resid 2135 and name H ) 2.4 0.7 0.7 volume=0.944 peak=400 ppm1=1.185 ppm2=7.905 assign ( resid 2087 and name HG2# ) ( resid 2056 and name HD2 or resid 2062 and name HA or resid 2065 and name HA or resid 2074 and name HA or resid 2082 and name HB3 or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HA or resid 2087 and name HB or resid 2094 and name HA or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2102 and name HA or resid 2115 and name HD3 or resid 2130 and name HA or resid 2135 and name HA ) 1.8 0.4 0.4 volume=5.923 peak=238 ppm1=1.367 ppm2=3.997 assign ( resid 2080 and name HD2 or resid 2115 and name HD2 ) ( resid 2072 and name HB# or resid 2075 and name HB3 or resid 2094 and name HG12 or resid 2098 and name HG2# or resid 2103 and name HG2 or resid 2112 and name HG or resid 2114 and name HB3 ) 2.6 0.8 0.8 volume=0.612 peak=599 ppm1=3.716 ppm2=1.408 assign ( resid 2103 and name HA ) ( resid 2050 and name HD3 or resid 2050 and name HD2 or resid 2078 and name HB3 or resid 2103 and name HD2 or resid 2120 and name HB3 ) 3.5 1.5 1.5 volume=0.102 peak=332 ppm1=3.701 ppm2=3.234 assign ( resid 2127 and name HB# ) ( resid 2052 and name HA or resid 2055 and name HB3 or resid 2082 and name HA or resid 2086 and name HA or resid 2088 and name HA or resid 2093 and name HA2 or resid 2097 and name HA or resid 2124 and name HA or resid 2124 and name HB or resid 2139 and name HA or resid 2140 and name HA ) 2.7 0.9 0.9 volume=0.470 peak=49 ppm1=1.716 ppm2=4.449 assign ( resid 2098 and name HG2# ) ( resid 2068 and name H or resid 2070 and name H or resid 2102 and name H or resid 2113 and name H or resid 2132 and name H ) 3.1 1.2 1.2 volume=0.208 peak=241 ppm1=1.394 ppm2=8.597 assign ( resid 2116 and name HA ) ( resid 2059 and name HG3 or resid 2116 and name HB3 or resid 2121 and name HB2 or resid 2122 and name HB2 or resid 2123 and name HB2 ) 2.1 0.5 0.5 volume=2.179 peak=612 ppm1=4.105 ppm2=2.358 assign ( resid 2083 and name HG2# ) ( resid 2068 and name H or resid 2070 and name H or resid 2102 and name H or resid 2105 and name H or resid 2113 and name H or resid 2133 and name H ) 3.0 1.1 1.1 volume=0.267 peak=1149 ppm1=0.794 ppm2=8.563 assign ( resid 2059 and name HB2 ) ( resid 2059 and name HG2 or resid 2089 and name HB3 or resid 2091 and name HB3 or resid 2091 and name HB2 or resid 2109 and name HB2 or resid 2131 and name HB2 ) 3.0 1.1 1.1 volume=0.261 peak=121 ppm1=1.835 ppm2=2.849 assign ( resid 2052 and name HA ) ( resid 2054 and name H or resid 2059 and name HE21 or resid 2109 and name HD22 ) 2.7 0.9 0.9 volume=0.429 peak=69 ppm1=4.476 ppm2=7.412 assign ( resid 2115 and name HD3 ) ( resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2066 and name HG or resid 2069 and name HB# or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2118 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 2.9 1.1 1.1 volume=0.290 peak=604 ppm1=3.985 ppm2=1.582 assign ( resid 2121 and name HB2 ) ( resid 2060 and name H or resid 2108 and name H or resid 2110 and name H or resid 2121 and name H or resid 2140 and name HE1 ) 2.6 0.9 0.9 volume=0.548 peak=95 ppm1=2.343 ppm2=8.006 assign ( resid 2130 and name HG3 ) ( resid 2052 and name HD21 or resid 2060 and name HE22 or resid 2108 and name HD2 or resid 2130 and name HE21 or resid 2130 and name HE22 or resid 2140 and name HD2 ) 2.5 0.8 0.8 volume=0.714 peak=194 ppm1=2.232 ppm2=7.052 assign ( resid 2102 and name HB3 ) ( resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.4 0.7 0.7 volume=0.975 peak=907 ppm1=1.472 ppm2=0.800 assign ( resid 2135 and name HA ) ( resid 2058 and name H or resid 2063 and name H or resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2130 and name H or resid 2131 and name H or resid 2135 and name H ) 2.4 0.7 0.7 volume=0.849 peak=364 ppm1=3.969 ppm2=7.906 assign ( resid 2131 and name HB3 ) ( resid 2068 and name H or resid 2102 and name H or resid 2113 and name H or resid 2132 and name H ) 2.8 1.0 1.0 volume=0.386 peak=773 ppm1=2.529 ppm2=8.603 assign ( resid 2102 and name HD1# ) ( resid 2071 and name H or resid 2073 and name H ) 2.5 0.8 0.8 volume=0.749 peak=894 ppm1=0.807 ppm2=8.203 assign ( resid 2126 and name HB2 ) ( resid 2063 and name HB2 or resid 2065 and name HG2# or resid 2086 and name HB# or resid 2087 and name HG2# or resid 2102 and name HG or resid 2105 and name HG2# or resid 2107 and name HG2# or resid 2125 and name HG3 ) 3.3 1.4 1.4 volume=0.135 peak=790 ppm1=2.886 ppm2=1.334 assign ( resid 2119 and name HB ) ( resid 2061 and name HE21 or resid 2093 and name H or resid 2101 and name H or resid 2120 and name H ) 3.0 1.1 1.1 volume=0.261 peak=463 ppm1=1.598 ppm2=7.516 assign ( resid 2138 and name HG3 or resid 2138 and name HG2 ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2134 and name HA ) 2.9 1.1 1.1 volume=0.287 peak=201 ppm1=2.423 ppm2=3.709 assign ( resid 2137 and name HG2# ) ( resid 2053 and name HA3 or resid 2059 and name HA or resid 2082 and name HB2 or resid 2085 and name HD2 or resid 2116 and name HD3 or resid 2119 and name HA or resid 2133 and name HA or resid 2139 and name HB2 or resid 2139 and name HB3 ) 2.7 0.9 0.9 volume=0.448 peak=274 ppm1=0.998 ppm2=3.861 assign ( resid 2115 and name HG3 ) ( resid 2049 and name HG2 or resid 2057 and name HG3 or resid 2057 and name HG2 or resid 2058 and name HG2 or resid 2058 and name HG3 or resid 2058 and name HB3 or resid 2061 and name HG2 or resid 2085 and name HB3 or resid 2115 and name HB2 or resid 2138 and name HG3 or resid 2138 and name HG2 ) 2.6 0.8 0.8 volume=0.614 peak=620 ppm1=1.918 ppm2=2.452 assign ( resid 2123 and name HD2 ) ( resid 2123 and name HA ) 3.6 1.6 1.6 volume=0.088 peak=662 ppm1=3.669 ppm2=5.187 assign ( resid 2058 and name HB2 ) ( resid 2054 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2069 and name HB# or resid 2075 and name HB2 or resid 2088 and name HB# or resid 2090 and name HG2 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2118 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 2.6 0.9 0.9 volume=0.530 peak=106 ppm1=2.090 ppm2=1.567 assign ( resid 2121 and name HB3 ) ( resid 2059 and name HG3 or resid 2081 and name HG2 or resid 2081 and name HG3 or resid 2116 and name HB3 or resid 2121 and name HB2 or resid 2122 and name HB2 or resid 2123 and name HB2 ) 2.2 0.6 0.6 volume=1.732 peak=90 ppm1=1.905 ppm2=2.345 assign ( resid 2090 and name HE2 or resid 2090 and name HE3 ) ( resid 2049 and name HA or resid 2065 and name HB or resid 2071 and name HA or resid 2073 and name HB or resid 2075 and name HA or resid 2090 and name HA or resid 2105 and name HB or resid 2107 and name HB or resid 2112 and name HA ) 2.8 1.0 1.0 volume=0.380 peak=427 ppm1=3.044 ppm2=4.316 assign ( resid 2131 and name HA ) ( resid 2049 and name HG3 or resid 2056 and name HB3 or resid 2061 and name HG3 or resid 2113 and name HB3 or resid 2125 and name HD2 or resid 2131 and name HB3 ) 2.4 0.7 0.7 volume=0.838 peak=776 ppm1=4.253 ppm2=2.527 assign ( resid 2060 and name HA ) ( resid 2047 and name HB2 or resid 2047 and name HB3 or resid 2053 and name HA3 or resid 2059 and name HA or resid 2082 and name HB2 or resid 2085 and name HD2 or resid 2119 and name HA or resid 2133 and name HA or resid 2139 and name HB2 or resid 2139 and name HB3 ) 3.4 1.4 1.4 volume=0.127 peak=162 ppm1=3.535 ppm2=3.841 assign ( resid 2129 and name HA ) ( resid 2067 and name HG2# or resid 2067 and name HG1# or resid 2106 and name HB2 or resid 2112 and name HB2 or resid 2118 and name HD2# or resid 2119 and name HG12 or resid 2129 and name HG2# ) 2.1 0.6 0.6 volume=1.884 peak=291 ppm1=4.411 ppm2=1.098 assign ( resid 2061 and name HB2 ) ( resid 2062 and name H or resid 2072 and name H ) 2.6 0.9 0.9 volume=0.541 peak=182 ppm1=2.150 ppm2=8.395 assign ( resid 2097 and name HD2# ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H or resid 2129 and name H ) 3.0 1.1 1.1 volume=0.240 peak=949 ppm1=1.011 ppm2=8.917 assign ( resid 2135 and name HG3 or resid 2135 and name HG2 ) ( resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2094 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.6 0.8 0.8 volume=0.581 peak=402 ppm1=1.198 ppm2=0.777 assign ( resid 2080 and name HD3 ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2049 and name HB3 or resid 2056 and name HB2 or resid 2063 and name HB3 or resid 2080 and name HG2 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG3 or resid 2085 and name HG2 or resid 2097 and name HB2 or resid 2115 and name HB3 or resid 2118 and name HB3 or resid 2125 and name HB3 or resid 2128 and name HB2 or resid 2130 and name HB3 or resid 2132 and name HB2 ) 2.3 0.7 0.7 volume=1.169 peak=601 ppm1=3.944 ppm2=2.031 assign ( resid 2122 and name HB3 ) ( resid 2122 and name HA ) 3.3 1.4 1.4 volume=0.129 peak=1108 ppm1=3.172 ppm2=5.011 assign ( resid 2092 and name HG ) ( resid 2056 and name HA or resid 2073 and name HB or resid 2079 and name HB or resid 2092 and name HA or resid 2104 and name HA or resid 2108 and name HA or resid 2120 and name HA or resid 2129 and name HA or resid 2137 and name HA or resid 2138 and name HA ) 2.7 0.9 0.9 volume=0.459 peak=967 ppm1=1.710 ppm2=4.381 assign ( resid 2117 and name HA ) ( resid 2117 and name HB ) 2.7 0.9 0.9 volume=0.473 peak=257 ppm1=4.261 ppm2=4.821 assign ( resid 2059 and name HB2 ) ( resid 2059 and name HB3 ) 2.5 0.8 0.8 volume=0.748 peak=122 ppm1=1.834 ppm2=2.596 assign ( resid 2123 and name HG2 ) ( resid 2071 and name HB or resid 2099 and name HA or resid 2103 and name HA or resid 2123 and name HD2 ) 2.5 0.8 0.8 volume=0.727 peak=657 ppm1=2.067 ppm2=3.669 assign ( resid 2059 and name HB3 ) ( resid 2059 and name H ) 2.9 1.1 1.1 volume=0.294 peak=135 ppm1=2.598 ppm2=9.120 assign ( resid 2103 and name HG3 ) ( resid 2072 and name HB# or resid 2075 and name HB3 or resid 2098 and name HG2# or resid 2103 and name HG2 or resid 2112 and name HG or resid 2114 and name HB3 ) 2.3 0.6 0.6 volume=1.336 peak=350 ppm1=1.956 ppm2=1.405 assign ( resid 2065 and name HA ) ( resid 2063 and name HB2 or resid 2065 and name HG2# or resid 2086 and name HB# or resid 2102 and name HG or resid 2105 and name HG2# or resid 2107 and name HG2# or resid 2125 and name HG3 ) 2.0 0.5 0.5 volume=2.836 peak=233 ppm1=4.015 ppm2=1.329 assign ( resid 2116 and name HB3 ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2097 and name HD2# or resid 2100 and name HD2# or resid 2100 and name HD1# or resid 2124 and name HG2# or resid 2128 and name HD2# or resid 2128 and name HD1# or resid 2137 and name HG2# ) 2.5 0.8 0.8 volume=0.809 peak=1131 ppm1=2.359 ppm2=1.031 assign ( resid 2066 and name HA ) ( resid 2066 and name H or resid 2076 and name H or resid 2103 and name H or resid 2131 and name HE1 or resid 2133 and name HE1 or resid 2138 and name H ) 2.4 0.7 0.7 volume=0.873 peak=992 ppm1=4.239 ppm2=7.772 assign ( resid 2123 and name HB2 ) ( resid 2071 and name HB or resid 2099 and name HA or resid 2103 and name HA or resid 2123 and name HD2 ) 3.0 1.1 1.1 volume=0.240 peak=645 ppm1=2.335 ppm2=3.670 assign ( resid 2135 and name HA ) ( resid 2048 and name HB3 or resid 2078 and name HB2 or resid 2090 and name HE2 or resid 2090 and name HE3 or resid 2103 and name HD3 or resid 2104 and name HB2 or resid 2135 and name HD3 or resid 2140 and name HB3 ) 2.5 0.8 0.8 volume=0.791 peak=371 ppm1=3.969 ppm2=3.065 assign ( resid 2135 and name HB2 ) ( resid 2056 and name HD3 or resid 2062 and name HA or resid 2074 and name HA or resid 2080 and name HD3 or resid 2082 and name HB3 or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HB or resid 2096 and name HB2 or resid 2102 and name HA or resid 2115 and name HD3 or resid 2116 and name HD2 or resid 2130 and name HA or resid 2135 and name HA ) 2.7 0.9 0.9 volume=0.502 peak=385 ppm1=1.685 ppm2=3.970 assign ( resid 2119 and name HG13 ) ( resid 2119 and name HD1# ) 2.3 0.6 0.6 volume=1.372 peak=497 ppm1=0.731 ppm2=0.215 assign ( resid 2115 and name HD3 ) ( resid 2079 and name HA or resid 2114 and name HA or resid 2115 and name HA ) 2.7 0.9 0.9 volume=0.456 peak=631 ppm1=3.978 ppm2=4.931 assign ( resid 2076 and name HA3 ) ( resid 2048 and name HD2 or resid 2057 and name HE22 or resid 2058 and name HE21 or resid 2061 and name HE22 or resid 2078 and name HD2 or resid 2104 and name HD21 or resid 2126 and name HD2 ) 3.5 1.5 1.5 volume=0.096 peak=1152 ppm1=4.126 ppm2=6.958 assign ( resid 2122 and name HB2 ) ( resid 2120 and name HE# or resid 2122 and name H ) 3.0 1.1 1.1 volume=0.237 peak=1101 ppm1=2.370 ppm2=7.322 assign ( resid 2050 and name HA ) ( resid 2050 and name HB3 or resid 2060 and name HB2 or resid 2060 and name HG2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2115 and name HG3 or resid 2123 and name HG3 or resid 2125 and name HG2 ) 2.3 0.6 0.6 volume=1.279 peak=314 ppm1=4.490 ppm2=1.940 assign ( resid 2119 and name HG2# ) ( resid 2123 and name HA ) 3.3 1.3 1.3 volume=0.152 peak=476 ppm1=0.289 ppm2=5.187 assign ( resid 2096 and name HA ) ( resid 2049 and name H or resid 2065 and name H or resid 2097 and name H or resid 2106 and name H or resid 2134 and name H or resid 2139 and name H ) 3.0 1.2 1.2 volume=0.227 peak=312 ppm1=4.180 ppm2=8.283 assign ( resid 2130 and name HB3 ) ( resid 2060 and name HE22 or resid 2108 and name HD2 or resid 2130 and name HE21 or resid 2140 and name HD2 ) 3.3 1.4 1.4 volume=0.135 peak=199 ppm1=2.043 ppm2=7.044 assign ( resid 2094 and name HG12 ) ( resid 2055 and name HB2 or resid 2056 and name HD2 or resid 2065 and name HA or resid 2068 and name HA or resid 2074 and name HA or resid 2082 and name HB3 or resid 2083 and name HA or resid 2087 and name HA or resid 2094 and name HA or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2121 and name HA or resid 2130 and name HA ) 2.9 1.0 1.0 volume=0.316 peak=542 ppm1=1.434 ppm2=4.025 assign ( resid 2136 and name HB3 ) ( resid 2062 and name HB or resid 2064 and name HA or resid 2066 and name HA or resid 2080 and name HA or resid 2085 and name HA or resid 2098 and name HB or resid 2117 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 2.6 0.9 0.9 volume=0.539 peak=828 ppm1=1.789 ppm2=4.237 assign ( resid 2127 and name HB# ) ( resid 2127 and name H ) 2.0 0.5 0.5 volume=2.606 peak=44 ppm1=1.716 ppm2=8.436 assign ( resid 2054 and name HB2 ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD1# or resid 2063 and name HD2# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 2.3 0.6 0.6 volume=1.309 peak=1044 ppm1=1.557 ppm2=0.857 assign ( resid 2100 and name HD2# ) ( resid 2048 and name HD2 or resid 2057 and name HE22 or resid 2058 and name HE21 or resid 2061 and name HE22 or resid 2078 and name HD2 or resid 2104 and name HD21 or resid 2126 and name HD2 ) 2.5 0.8 0.8 volume=0.814 peak=452 ppm1=1.064 ppm2=6.959 assign ( resid 2076 and name HA3 or resid 2111 and name HA3 ) ( resid 2047 and name HB2 or resid 2047 and name HB3 or resid 2076 and name HA2 or resid 2093 and name HA3 or resid 2111 and name HA2 or resid 2125 and name HD3 ) 1.9 0.4 0.4 volume=3.888 peak=57 ppm1=4.128 ppm2=3.791 assign ( resid 2123 and name HB2 ) ( resid 2123 and name HA ) 2.6 0.8 0.8 volume=0.645 peak=643 ppm1=2.338 ppm2=5.186 assign ( resid 2135 and name HA ) ( resid 2083 and name H or resid 2086 and name H or resid 2087 and name H or resid 2094 and name H or resid 2137 and name H or resid 2138 and name HE21 ) 3.3 1.4 1.4 volume=0.131 peak=366 ppm1=3.971 ppm2=7.588 assign ( resid 2065 and name HG2# or resid 2105 and name HG2# or resid 2107 and name HG2# ) ( resid 2108 and name HD2 or resid 2130 and name HE21 ) 3.0 1.1 1.1 volume=0.242 peak=237 ppm1=1.321 ppm2=7.020 assign ( resid 2077 and name HB3 or resid 2077 and name HB2 ) ( resid 2072 and name HB# or resid 2075 and name HB3 or resid 2098 and name HG2# or resid 2103 and name HG2 or resid 2112 and name HG or resid 2114 and name HB3 ) 2.6 0.8 0.8 volume=0.609 peak=1127 ppm1=3.110 ppm2=1.404 assign ( resid 2132 and name HD2# ) ( resid 2068 and name H or resid 2070 and name H or resid 2102 and name H or resid 2113 and name H or resid 2132 and name H ) 2.3 0.7 0.7 volume=1.110 peak=818 ppm1=0.806 ppm2=8.599 assign ( resid 2133 and name HB3 ) ( resid 2058 and name H or resid 2063 and name H or resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2130 and name H or resid 2131 and name H or resid 2135 and name H ) 3.5 1.5 1.5 volume=0.100 peak=756 ppm1=3.293 ppm2=7.904 assign ( resid 2130 and name HB3 ) ( resid 2056 and name HD2 or resid 2062 and name HA or resid 2065 and name HA or resid 2074 and name HA or resid 2082 and name HB3 or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HA or resid 2087 and name HB or resid 2094 and name HA or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2102 and name HA or resid 2115 and name HD3 or resid 2130 and name HA or resid 2135 and name HA ) 2.4 0.7 0.7 volume=0.900 peak=189 ppm1=2.041 ppm2=3.999 assign ( resid 2119 and name HG2# ) ( resid 2120 and name HE# or resid 2122 and name HE1 or resid 2122 and name H ) 3.2 1.2 1.2 volume=0.184 peak=473 ppm1=0.288 ppm2=7.294 assign ( resid 2115 and name HD3 ) ( resid 2061 and name HB3 or resid 2074 and name HB or resid 2083 and name HB or resid 2115 and name HG2 or resid 2128 and name HB3 or resid 2130 and name HG3 ) 2.5 0.8 0.8 volume=0.673 peak=628 ppm1=3.983 ppm2=2.218 assign ( resid 2119 and name HG13 ) ( resid 2119 and name HG2# ) 2.3 0.7 0.7 volume=1.150 peak=496 ppm1=0.728 ppm2=0.288 assign ( resid 2119 and name HD1# ) ( resid 2068 and name H or resid 2070 and name H or resid 2102 and name H or resid 2113 and name H or resid 2132 and name H ) 3.1 1.2 1.2 volume=0.205 peak=500 ppm1=0.209 ppm2=8.600 assign ( resid 2083 and name HG13 ) ( resid 2053 and name HA2 or resid 2055 and name HB2 or resid 2056 and name HD2 or resid 2065 and name HA or resid 2068 and name HA or resid 2083 and name HA or resid 2085 and name HD3 or resid 2087 and name HA or resid 2094 and name HA or resid 2096 and name HB3 or resid 2118 and name HA or resid 2121 and name HA ) 2.5 0.8 0.8 volume=0.681 peak=524 ppm1=1.688 ppm2=4.037 assign ( resid 2115 and name HD3 ) ( resid 2049 and name HG2 or resid 2057 and name HG3 or resid 2057 and name HG2 or resid 2058 and name HG2 or resid 2058 and name HG3 or resid 2058 and name HB3 or resid 2061 and name HG2 or resid 2085 and name HB3 or resid 2115 and name HB2 or resid 2138 and name HG3 or resid 2138 and name HG2 ) 3.0 1.1 1.1 volume=0.235 peak=629 ppm1=3.983 ppm2=2.454 assign ( resid 2059 and name HB2 ) ( resid 2047 and name HB2 or resid 2047 and name HB3 or resid 2053 and name HA3 or resid 2059 and name HA or resid 2085 and name HD2 or resid 2119 and name HA or resid 2133 and name HA ) 2.7 0.9 0.9 volume=0.457 peak=120 ppm1=1.834 ppm2=3.835 assign ( resid 2062 and name HB or resid 2134 and name HB ) ( resid 2062 and name HG2# or resid 2079 and name HG2# or resid 2114 and name HD1# or resid 2117 and name HG2# or resid 2132 and name HB3 or resid 2134 and name HG2# or resid 2135 and name HG3 or resid 2135 and name HG2 ) 1.8 0.4 0.4 volume=5.970 peak=226 ppm1=4.257 ppm2=1.215 assign ( resid 2090 and name HA ) ( resid 2090 and name H ) 2.3 0.7 0.7 volume=1.221 peak=403 ppm1=4.319 ppm2=9.234 assign ( resid 2134 and name HA ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2097 and name HD2# or resid 2100 and name HD2# or resid 2100 and name HD1# or resid 2124 and name HG2# or resid 2128 and name HD1# or resid 2136 and name HD2# or resid 2137 and name HG2# ) 3.0 1.1 1.1 volume=0.252 peak=295 ppm1=3.706 ppm2=0.996 assign ( resid 2135 and name HG3 or resid 2135 and name HG2 ) ( resid 2056 and name HD3 or resid 2062 and name HA or resid 2073 and name HA or resid 2080 and name HD3 or resid 2082 and name HB3 or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HB or resid 2096 and name HB2 or resid 2102 and name HA or resid 2115 and name HD3 or resid 2116 and name HD2 or resid 2130 and name HA or resid 2135 and name HA ) 2.4 0.7 0.7 volume=0.917 peak=396 ppm1=1.184 ppm2=3.966 assign ( resid 2063 and name HB3 ) ( resid 2063 and name HB2 or resid 2065 and name HG2# or resid 2086 and name HB# or resid 2102 and name HG or resid 2105 and name HG2# or resid 2107 and name HG2# or resid 2125 and name HG3 ) 2.2 0.6 0.6 volume=1.430 peak=1025 ppm1=2.003 ppm2=1.330 assign ( resid 2083 and name HD1# ) ( resid 2070 and name HB# or resid 2072 and name HB# or resid 2083 and name HG12 or resid 2094 and name HG12 or resid 2098 and name HG2# or resid 2103 and name HG2 or resid 2112 and name HG or resid 2114 and name HB3 ) 2.0 0.5 0.5 volume=3.088 peak=533 ppm1=0.746 ppm2=1.424 assign ( resid 2085 and name HA ) ( resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.6 0.9 0.9 volume=0.527 peak=605 ppm1=4.229 ppm2=0.786 assign ( resid 2056 and name HA ) ( resid 2049 and name HG3 or resid 2056 and name HB3 or resid 2058 and name HG2 or resid 2058 and name HG3 or resid 2061 and name HG3 or resid 2131 and name HB3 ) 2.3 0.7 0.7 volume=1.256 peak=568 ppm1=4.374 ppm2=2.505 assign ( resid 2133 and name HD2 ) ( resid 2058 and name H or resid 2060 and name H or resid 2063 and name H ) 3.5 1.5 1.5 volume=0.106 peak=758 ppm1=6.651 ppm2=7.972 assign ( resid 2119 and name HA ) ( resid 2061 and name HE21 or resid 2093 and name H or resid 2120 and name H ) 2.9 1.1 1.1 volume=0.275 peak=515 ppm1=3.862 ppm2=7.515 assign ( resid 2118 and name HD2# ) ( resid 2092 and name HD2# or resid 2097 and name HD1# or resid 2114 and name HD2# or resid 2118 and name HD1# ) 1.7 0.3 0.3 volume=8.358 peak=1078 ppm1=1.101 ppm2=0.913 assign ( resid 2065 and name HA ) ( resid 2049 and name HA or resid 2065 and name HB or resid 2071 and name HA or resid 2073 and name HB or resid 2075 and name HA or resid 2090 and name HA or resid 2105 and name HB or resid 2107 and name HB ) 2.4 0.7 0.7 volume=1.022 peak=232 ppm1=4.015 ppm2=4.340 assign ( resid 2074 and name HA ) ( resid 2071 and name HG2# or resid 2073 and name HG2# or resid 2099 and name HB# or resid 2110 and name HG2# ) 2.5 0.8 0.8 volume=0.695 peak=457 ppm1=4.002 ppm2=1.272 assign ( resid 2123 and name HD2 ) ( resid 2122 and name HB3 or resid 2140 and name HB2 ) 3.6 1.6 1.6 volume=0.089 peak=669 ppm1=3.669 ppm2=3.166 assign ( resid 2059 and name HG2 ) ( resid 2059 and name HG3 or resid 2081 and name HG2 or resid 2081 and name HG3 or resid 2116 and name HB3 or resid 2121 and name HB2 or resid 2122 and name HB2 or resid 2123 and name HB2 ) 2.5 0.8 0.8 volume=0.825 peak=139 ppm1=2.847 ppm2=2.349 assign ( resid 2135 and name HG3 or resid 2135 and name HG2 ) ( resid 2104 and name HB3 or resid 2126 and name HB3 or resid 2126 and name HB2 or resid 2135 and name HD2 ) 2.5 0.8 0.8 volume=0.828 peak=395 ppm1=1.184 ppm2=2.915 assign ( resid 2063 and name HA ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H or resid 2129 and name H ) 2.8 1.0 1.0 volume=0.360 peak=1020 ppm1=4.121 ppm2=8.899 assign ( resid 2119 and name HG2# ) ( resid 2069 and name H or resid 2089 and name H or resid 2132 and name H ) 3.3 1.3 1.3 volume=0.145 peak=470 ppm1=0.289 ppm2=8.637 assign ( resid 2123 and name HB3 ) ( resid 2050 and name HB3 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2060 and name HG2 or resid 2063 and name HB3 or resid 2066 and name HB2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2106 and name HB3 or resid 2123 and name HG3 ) 2.4 0.7 0.7 volume=0.842 peak=648 ppm1=2.411 ppm2=1.970 assign ( resid 2128 and name HA ) ( resid 2131 and name HD2 ) 3.5 1.6 1.6 volume=0.091 peak=853 ppm1=4.088 ppm2=6.049 assign ( resid 2127 and name HA ) ( resid 2127 and name H ) 2.5 0.8 0.8 volume=0.763 peak=43 ppm1=4.153 ppm2=8.434 assign ( resid 2094 and name HG2# ) ( resid 2055 and name HB2 or resid 2056 and name HD2 or resid 2065 and name HA or resid 2068 and name HA or resid 2074 and name HA or resid 2083 and name HA or resid 2087 and name HA or resid 2094 and name HA or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2121 and name HA or resid 2130 and name HA ) 2.2 0.6 0.6 volume=1.623 peak=549 ppm1=0.714 ppm2=4.028 assign ( resid 2125 and name HD2 ) ( resid 2056 and name HG2 or resid 2067 and name HB or resid 2081 and name HG2 or resid 2081 and name HG3 or resid 2101 and name HG3 or resid 2125 and name HB2 ) 3.4 1.4 1.4 volume=0.125 peak=720 ppm1=2.556 ppm2=2.290 assign ( resid 2119 and name HG2# ) ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2066 and name HG or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 2.0 0.5 0.5 volume=2.596 peak=482 ppm1=0.289 ppm2=1.594 assign ( resid 2103 and name HD3 ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H ) 3.2 1.3 1.3 volume=0.156 peak=362 ppm1=3.048 ppm2=8.883 assign ( resid 2119 and name HB ) ( resid 2053 and name HA3 or resid 2059 and name HA or resid 2082 and name HB2 or resid 2085 and name HD2 or resid 2116 and name HD3 or resid 2119 and name HA or resid 2133 and name HA or resid 2139 and name HB2 or resid 2139 and name HB3 ) 2.5 0.8 0.8 volume=0.721 peak=465 ppm1=1.598 ppm2=3.862 assign ( resid 2102 and name HD1# ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2123 and name HD2 or resid 2134 and name HA ) 2.0 0.5 0.5 volume=2.432 peak=892 ppm1=0.807 ppm2=3.689 assign ( resid 2135 and name HD3 ) ( resid 2062 and name HG2# or resid 2117 and name HG2# or resid 2132 and name HB3 or resid 2135 and name HG3 or resid 2135 and name HG2 ) 2.1 0.6 0.6 volume=1.840 peak=377 ppm1=3.066 ppm2=1.186 assign ( resid 2123 and name HD3 ) ( resid 2122 and name HB3 or resid 2140 and name HB2 ) 3.5 1.5 1.5 volume=0.096 peak=668 ppm1=3.422 ppm2=3.170 assign ( resid 2133 and name HB2 ) ( resid 2078 and name HB3 or resid 2095 and name HB2 or resid 2108 and name HB2 or resid 2133 and name HB3 ) 2.2 0.6 0.6 volume=1.394 peak=751 ppm1=2.988 ppm2=3.287 assign ( resid 2123 and name HA ) ( resid 2059 and name HG3 or resid 2081 and name HG2 or resid 2081 and name HG3 or resid 2116 and name HB3 or resid 2121 and name HB2 or resid 2122 and name HB2 or resid 2123 and name HB2 ) 2.2 0.6 0.6 volume=1.646 peak=640 ppm1=5.186 ppm2=2.338 assign ( resid 2067 and name HG1# or resid 2100 and name HD2# ) ( resid 2050 and name HB2 or resid 2059 and name HB2 or resid 2063 and name HG or resid 2100 and name HG or resid 2102 and name HB2 or resid 2106 and name HG ) 1.8 0.4 0.4 volume=5.873 peak=454 ppm1=1.063 ppm2=1.829 assign ( resid 2099 and name HA ) ( resid 2066 and name H or resid 2076 and name H or resid 2092 and name H or resid 2103 and name H ) 3.2 1.3 1.3 volume=0.171 peak=28 ppm1=3.703 ppm2=7.785 assign ( resid 2126 and name HA ) ( resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2130 and name H or resid 2131 and name H or resid 2135 and name H ) 3.1 1.2 1.2 volume=0.195 peak=292 ppm1=4.285 ppm2=7.890 assign ( resid 2125 and name HG3 ) ( resid 2077 and name HD2 or resid 2089 and name HZ or resid 2126 and name HD2 or resid 2138 and name HE22 ) 3.5 1.5 1.5 volume=0.100 peak=708 ppm1=1.353 ppm2=6.910 assign ( resid 2103 and name HB3 ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2123 and name HD2 or resid 2134 and name HA ) 2.8 1.0 1.0 volume=0.388 peak=204 ppm1=2.088 ppm2=3.699 assign ( resid 2118 and name HG ) ( resid 2109 and name HD21 or resid 2118 and name H ) 3.2 1.3 1.3 volume=0.174 peak=1068 ppm1=1.547 ppm2=7.362 assign ( resid 2136 and name HA ) ( resid 2061 and name H or resid 2119 and name H or resid 2136 and name H ) 2.4 0.7 0.7 volume=0.843 peak=825 ppm1=4.239 ppm2=8.140 assign ( resid 2100 and name HB2 or resid 2100 and name HB3 ) ( resid 2071 and name HG2# or resid 2073 and name HG2# or resid 2079 and name HG2# or resid 2099 and name HB# or resid 2110 and name HG2# or resid 2114 and name HD1# ) 2.9 1.1 1.1 volume=0.300 peak=936 ppm1=1.893 ppm2=1.258 assign ( resid 2054 and name HD1# ) ( resid 2054 and name H or resid 2059 and name HE21 ) 2.6 0.8 0.8 volume=0.586 peak=1047 ppm1=0.871 ppm2=7.406 assign ( resid 2135 and name HG3 or resid 2135 and name HG2 ) ( resid 2066 and name H or resid 2076 and name H or resid 2131 and name HE1 or resid 2133 and name HE1 or resid 2138 and name H ) 3.4 1.4 1.4 volume=0.124 peak=401 ppm1=1.183 ppm2=7.745 assign ( resid 2131 and name HB3 ) ( resid 2131 and name HD2 ) 3.0 1.1 1.1 volume=0.235 peak=779 ppm1=2.531 ppm2=6.056 assign ( resid 2083 and name HG2# ) ( resid 2050 and name HB3 or resid 2100 and name HB2 or resid 2100 and name HB3 or resid 2115 and name HG3 or resid 2121 and name HB3 or resid 2125 and name HG2 ) 2.4 0.7 0.7 volume=0.962 peak=531 ppm1=0.792 ppm2=1.912 assign ( resid 2132 and name HA ) ( resid 2058 and name H or resid 2063 and name H or resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2130 and name H or resid 2131 and name H or resid 2135 and name H ) 2.9 1.0 1.0 volume=0.325 peak=800 ppm1=3.558 ppm2=7.909 assign ( resid 2123 and name HD3 ) ( resid 2122 and name HA ) 2.8 1.0 1.0 volume=0.377 peak=664 ppm1=3.422 ppm2=5.009 assign ( resid 2131 and name HB3 ) ( resid 2058 and name H or resid 2063 and name H or resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2130 and name H or resid 2131 and name H or resid 2135 and name H ) 2.5 0.8 0.8 volume=0.778 peak=771 ppm1=2.529 ppm2=7.924 assign ( resid 2128 and name HB3 ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2056 and name HB2 or resid 2057 and name HB2 or resid 2063 and name HB3 or resid 2066 and name HB2 or resid 2080 and name HG2 or resid 2081 and name HB3 or resid 2085 and name HG2 or resid 2085 and name HB2 or resid 2106 and name HB3 or resid 2115 and name HB3 or resid 2125 and name HB3 or resid 2128 and name HB2 ) 2.5 0.8 0.8 volume=0.736 peak=860 ppm1=2.244 ppm2=2.005 assign ( resid 2118 and name HD2# ) ( resid 2079 and name HA or resid 2114 and name HA or resid 2115 and name HA ) 3.3 1.3 1.3 volume=0.149 peak=1075 ppm1=1.102 ppm2=4.938 assign ( resid 2115 and name HG3 ) ( resid 2060 and name HE21 or resid 2117 and name H or resid 2122 and name HD2 ) 3.0 1.2 1.2 volume=0.228 peak=626 ppm1=1.917 ppm2=6.817 assign ( resid 2131 and name HA ) ( resid 2049 and name H or resid 2097 and name H or resid 2106 and name H or resid 2109 and name H or resid 2111 and name H or resid 2134 and name H or resid 2139 and name H ) 3.1 1.2 1.2 volume=0.218 peak=768 ppm1=4.254 ppm2=8.267 assign ( resid 2102 and name HD1# ) ( resid 2048 and name HD2 or resid 2089 and name HZ or resid 2126 and name HD2 or resid 2138 and name HE22 ) 3.5 1.5 1.5 volume=0.105 peak=920 ppm1=0.807 ppm2=6.928 assign ( resid 2136 and name HG ) ( resid 2061 and name H or resid 2119 and name H or resid 2136 and name H ) 2.6 0.8 0.8 volume=0.591 peak=838 ppm1=1.768 ppm2=8.139 assign ( resid 2060 and name HG3 ) ( resid 2050 and name HB3 or resid 2060 and name HB2 or resid 2060 and name HG2 or resid 2066 and name HB2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2106 and name HB3 or resid 2123 and name HG3 ) 1.6 0.3 0.3 volume=11.332 peak=173 ppm1=2.126 ppm2=1.954 assign ( resid 2050 and name HB2 ) ( resid 2050 and name H or resid 2051 and name H or resid 2078 and name H or resid 2079 and name H ) 3.0 1.1 1.1 volume=0.262 peak=320 ppm1=1.836 ppm2=8.725 assign ( resid 2102 and name HD1# ) ( resid 2089 and name HD# or resid 2120 and name HZ or resid 2120 and name HD# ) 3.3 1.3 1.3 volume=0.147 peak=919 ppm1=0.808 ppm2=7.155 assign ( resid 2136 and name HD1# ) ( resid 2050 and name HA or resid 2051 and name HA or resid 2078 and name HA or resid 2110 and name HA ) 2.4 0.7 0.7 volume=1.046 peak=842 ppm1=0.879 ppm2=4.523 assign ( resid 2094 and name HD1# ) ( resid 2055 and name HB2 or resid 2056 and name HD2 or resid 2065 and name HA or resid 2068 and name HA or resid 2074 and name HA or resid 2082 and name HB3 or resid 2083 and name HA or resid 2087 and name HA or resid 2094 and name HA or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2121 and name HA or resid 2130 and name HA ) 2.0 0.5 0.5 volume=2.618 peak=560 ppm1=0.750 ppm2=4.026 assign ( resid 2071 and name HB ) ( resid 2068 and name H or resid 2070 and name H or resid 2102 and name H or resid 2105 and name H or resid 2113 and name H or resid 2132 and name H or resid 2133 and name H ) 3.3 1.4 1.4 volume=0.139 peak=279 ppm1=3.689 ppm2=8.573 assign ( resid 2062 and name HA ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2056 and name HB2 or resid 2057 and name HB2 or resid 2063 and name HB3 or resid 2066 and name HB2 or resid 2080 and name HG2 or resid 2085 and name HG2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2106 and name HB3 or resid 2115 and name HB3 or resid 2123 and name HG3 or resid 2125 and name HB3 or resid 2128 and name HB2 ) 3.2 1.3 1.3 volume=0.158 peak=220 ppm1=3.984 ppm2=2.003 assign ( resid 2055 and name HA ) ( resid 2055 and name HB2 or resid 2056 and name HD2 or resid 2062 and name HA or resid 2065 and name HA or resid 2068 and name HA or resid 2074 and name HA or resid 2082 and name HB3 or resid 2083 and name HA or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HA or resid 2087 and name HB or resid 2094 and name HA or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2115 and name HD3 or resid 2130 and name HA ) 2.2 0.6 0.6 volume=1.594 peak=305 ppm1=4.757 ppm2=4.014 assign ( resid 2127 and name HA ) ( resid 2050 and name HG2 or resid 2051 and name HB3 or resid 2083 and name HG13 or resid 2092 and name HG or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2118 and name HB2 or resid 2127 and name HB# ) 1.9 0.5 0.5 volume=3.517 peak=48 ppm1=4.153 ppm2=1.717 assign ( resid 2061 and name HA ) ( resid 2049 and name HG3 or resid 2057 and name HG3 or resid 2057 and name HG2 or resid 2058 and name HG2 or resid 2058 and name HG3 or resid 2058 and name HB3 or resid 2061 and name HG2 or resid 2085 and name HB3 or resid 2115 and name HB2 ) 2.3 0.7 0.7 volume=1.140 peak=177 ppm1=4.115 ppm2=2.459 assign ( resid 2049 and name HE# ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD1# or resid 2063 and name HD2# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 1.6 0.3 0.3 volume=11.107 peak=1122 ppm1=2.024 ppm2=0.853 assign ( resid 2094 and name HG13 ) ( resid 2058 and name HA or resid 2064 and name HA or resid 2070 and name HA or resid 2089 and name HA or resid 2096 and name HA or resid 2098 and name HB or resid 2106 and name HA or resid 2107 and name HA or resid 2110 and name HB or resid 2127 and name HA ) 3.0 1.2 1.2 volume=0.228 peak=543 ppm1=1.464 ppm2=4.186 assign ( resid 2062 and name HA ) ( resid 2056 and name HG3 or resid 2061 and name HB2 or resid 2061 and name HB3 or resid 2080 and name HG3 or resid 2080 and name HB2 or resid 2083 and name HB or resid 2103 and name HB2 or resid 2116 and name HG2 or resid 2116 and name HG3 or resid 2130 and name HG2 or resid 2130 and name HB2 or resid 2138 and name HB3 ) 3.2 1.3 1.3 volume=0.160 peak=221 ppm1=3.984 ppm2=2.166 assign ( resid 2102 and name HB2 ) ( resid 2056 and name HD2 or resid 2056 and name HD3 or resid 2062 and name HA or resid 2074 and name HA or resid 2080 and name HD3 or resid 2082 and name HB3 or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HA or resid 2087 and name HB or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2102 and name HA or resid 2115 and name HD3 or resid 2130 and name HA or resid 2135 and name HA ) 2.7 0.9 0.9 volume=0.503 peak=901 ppm1=1.838 ppm2=3.980 assign ( resid 2091 and name HA ) ( resid 2048 and name HE1 or resid 2052 and name HD22 or resid 2092 and name H or resid 2103 and name H or resid 2104 and name HD22 or resid 2108 and name HE1 ) 2.7 0.9 0.9 volume=0.474 peak=71 ppm1=4.636 ppm2=7.820 assign ( resid 2059 and name HA ) ( resid 2057 and name HB3 or resid 2058 and name HB2 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2080 and name HB3 or resid 2092 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB3 or resid 2116 and name HB2 or resid 2132 and name HG or resid 2138 and name HB2 or resid 2138 and name HB3 ) 3.0 1.2 1.2 volume=0.228 peak=116 ppm1=3.832 ppm2=2.107 assign ( resid 2099 and name HB# ) ( resid 2061 and name H or resid 2082 and name H or resid 2119 and name H ) 2.8 1.0 1.0 volume=0.406 peak=41 ppm1=1.254 ppm2=8.105 assign ( resid 2067 and name HG2# ) ( resid 2060 and name HA or resid 2067 and name HA or resid 2129 and name HB or resid 2132 and name HA ) 2.1 0.6 0.6 volume=2.104 peak=450 ppm1=1.134 ppm2=3.529 assign ( resid 2090 and name HG2 ) ( resid 2051 and name HB3 or resid 2066 and name HB3 or resid 2075 and name HG or resid 2090 and name HB3 or resid 2090 and name HD3 or resid 2090 and name HD2 or resid 2097 and name HG or resid 2097 and name HB3 or resid 2136 and name HG or resid 2136 and name HB3 ) 1.8 0.4 0.4 volume=6.153 peak=417 ppm1=1.542 ppm2=1.765 assign ( resid 2056 and name HD3 ) ( resid 2056 and name HG2 or resid 2067 and name HB or resid 2081 and name HG2 or resid 2081 and name HG3 or resid 2101 and name HG3 or resid 2125 and name HB2 ) 2.6 0.9 0.9 volume=0.553 peak=585 ppm1=3.959 ppm2=2.290 assign ( resid 2095 and name HB3 ) ( resid 2056 and name HD2 or resid 2062 and name HA or resid 2065 and name HA or resid 2074 and name HA or resid 2082 and name HB3 or resid 2083 and name HA or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HA or resid 2087 and name HB or resid 2094 and name HA or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2102 and name HA or resid 2115 and name HD3 or resid 2130 and name HA ) 3.4 1.4 1.4 volume=0.120 peak=85 ppm1=2.697 ppm2=4.007 assign ( resid 2075 and name HB2 or resid 2136 and name HB2 ) ( resid 2051 and name HB3 or resid 2066 and name HB3 or resid 2075 and name HG or resid 2090 and name HB3 or resid 2090 and name HD3 or resid 2090 and name HD2 or resid 2097 and name HB3 or resid 2136 and name HG or resid 2136 and name HB3 ) 2.0 0.5 0.5 volume=2.573 peak=833 ppm1=1.570 ppm2=1.769 assign ( resid 2063 and name HA ) ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HG or resid 2066 and name HG or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HG or resid 2119 and name HB or resid 2128 and name HG or resid 2135 and name HB3 ) 2.8 1.0 1.0 volume=0.394 peak=1024 ppm1=4.119 ppm2=1.622 assign ( resid 2094 and name HG12 ) ( resid 2083 and name HD1# or resid 2094 and name HG2# or resid 2094 and name HD1# or resid 2112 and name HD1# or resid 2119 and name HG13 ) 2.1 0.6 0.6 volume=1.862 peak=548 ppm1=1.437 ppm2=0.747 assign ( resid 2080 and name HG2 or resid 2085 and name HG2 ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2134 and name HA ) 2.3 0.7 0.7 volume=1.135 peak=595 ppm1=2.009 ppm2=3.724 assign ( resid 2094 and name HB ) ( resid 2095 and name H or resid 2110 and name H or resid 2140 and name HE1 or resid 2140 and name H ) 3.2 1.3 1.3 volume=0.177 peak=520 ppm1=1.727 ppm2=8.048 assign ( resid 2115 and name HD2 ) ( resid 2049 and name HG2 or resid 2057 and name HG3 or resid 2057 and name HG2 or resid 2058 and name HG2 or resid 2058 and name HG3 or resid 2058 and name HB3 or resid 2061 and name HG2 or resid 2085 and name HB3 or resid 2115 and name HB2 or resid 2138 and name HG3 or resid 2138 and name HG2 ) 3.1 1.2 1.2 volume=0.218 peak=630 ppm1=3.712 ppm2=2.451 assign ( resid 2091 and name HA ) ( resid 2093 and name H or resid 2120 and name H ) 3.1 1.2 1.2 volume=0.216 peak=72 ppm1=4.633 ppm2=7.501 assign ( resid 2137 and name HG2# ) ( resid 2061 and name H or resid 2119 and name H or resid 2136 and name H ) 2.9 1.0 1.0 volume=0.328 peak=270 ppm1=0.997 ppm2=8.140 assign ( resid 2119 and name HG2# ) ( resid 2057 and name HE21 or resid 2083 and name H or resid 2086 and name H or resid 2089 and name HE# or resid 2112 and name H or resid 2126 and name HE1 ) 2.8 1.0 1.0 volume=0.392 peak=471 ppm1=0.289 ppm2=7.636 assign ( resid 2062 and name HA ) ( resid 2062 and name H or resid 2072 and name H ) 2.5 0.8 0.8 volume=0.673 peak=213 ppm1=3.984 ppm2=8.394 assign ( resid 2092 and name HB2 ) ( resid 2093 and name H or resid 2120 and name H ) 3.2 1.3 1.3 volume=0.157 peak=959 ppm1=2.121 ppm2=7.506 assign ( resid 2049 and name HG3 ) ( resid 2049 and name H or resid 2052 and name H or resid 2065 and name H or resid 2097 and name H or resid 2106 and name H or resid 2134 and name H or resid 2139 and name H ) 3.5 1.5 1.5 volume=0.104 peak=435 ppm1=2.502 ppm2=8.290 assign ( resid 2051 and name HB3 ) ( resid 2052 and name HD21 or resid 2059 and name HE22 or resid 2130 and name HE22 ) 3.4 1.5 1.5 volume=0.114 peak=1050 ppm1=1.734 ppm2=7.101 assign ( resid 2094 and name HB ) ( resid 2083 and name HD1# or resid 2094 and name HG2# or resid 2094 and name HD1# or resid 2112 and name HD1# or resid 2119 and name HG13 ) 2.1 0.5 0.5 volume=2.298 peak=539 ppm1=1.729 ppm2=0.723 assign ( resid 2059 and name HB3 ) ( resid 2059 and name HG3 or resid 2081 and name HG2 or resid 2081 and name HG3 or resid 2116 and name HB3 or resid 2121 and name HB2 or resid 2122 and name HB2 or resid 2123 and name HB2 ) 2.9 1.1 1.1 volume=0.285 peak=126 ppm1=2.600 ppm2=2.349 assign ( resid 2064 and name HB# ) ( resid 2049 and name H or resid 2052 and name H or resid 2065 and name H or resid 2084 and name H or resid 2097 and name H or resid 2106 and name H or resid 2134 and name H or resid 2139 and name H ) 2.1 0.6 0.6 volume=2.015 peak=7 ppm1=1.572 ppm2=8.302 assign ( resid 2136 and name HD1# ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2056 and name HB2 or resid 2057 and name HB2 or resid 2063 and name HB3 or resid 2080 and name HG2 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG3 or resid 2085 and name HG2 or resid 2097 and name HB2 or resid 2106 and name HB3 or resid 2115 and name HB3 or resid 2118 and name HB3 or resid 2125 and name HB3 or resid 2128 and name HB2 or resid 2130 and name HB3 ) 2.2 0.6 0.6 volume=1.734 peak=845 ppm1=0.876 ppm2=2.020 assign ( resid 2118 and name HG ) ( resid 2049 and name HB3 or resid 2058 and name HB2 or resid 2080 and name HB3 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG3 or resid 2085 and name HG2 or resid 2097 and name HB2 or resid 2103 and name HB3 or resid 2115 and name HB3 or resid 2116 and name HB2 or resid 2118 and name HB3 or resid 2123 and name HG2 or resid 2130 and name HB3 or resid 2132 and name HB2 or resid 2138 and name HB2 ) 3.0 1.1 1.1 volume=0.261 peak=1073 ppm1=1.557 ppm2=2.064 assign ( resid 2125 and name HG2 ) ( resid 2057 and name HE21 or resid 2083 and name H or resid 2086 and name H or resid 2089 and name HE# or resid 2112 and name H or resid 2126 and name HE1 ) 3.2 1.3 1.3 volume=0.163 peak=701 ppm1=1.919 ppm2=7.637 assign ( resid 2094 and name HD1# ) ( resid 2049 and name HA or resid 2065 and name HB or resid 2071 and name HA or resid 2075 and name HA or resid 2090 and name HA or resid 2105 and name HB or resid 2107 and name HB or resid 2112 and name HA or resid 2126 and name HA ) 2.6 0.9 0.9 volume=0.533 peak=559 ppm1=0.750 ppm2=4.309 assign ( resid 2128 and name HD1# ) ( resid 2057 and name HA or resid 2061 and name HA or resid 2063 and name HA or resid 2069 and name HA or resid 2076 and name HA3 or resid 2085 and name HD3 or resid 2098 and name HA or resid 2105 and name HA or resid 2111 and name HA3 or resid 2116 and name HA or resid 2125 and name HA or resid 2128 and name HA ) 2.3 0.7 0.7 volume=1.093 peak=869 ppm1=1.008 ppm2=4.105 assign ( resid 2102 and name HD2# ) ( resid 2061 and name HB3 or resid 2074 and name HB or resid 2083 and name HB or resid 2115 and name HG2 or resid 2128 and name HB3 or resid 2130 and name HG3 ) 2.9 1.1 1.1 volume=0.286 peak=1151 ppm1=0.490 ppm2=2.218 assign ( resid 2102 and name HB3 ) ( resid 2052 and name HD22 or resid 2066 and name H or resid 2076 and name H or resid 2092 and name H or resid 2103 and name H ) 3.0 1.1 1.1 volume=0.268 peak=898 ppm1=1.474 ppm2=7.786 assign ( resid 2062 and name HB ) ( resid 2062 and name H or resid 2072 and name H ) 2.3 0.7 0.7 volume=1.140 peak=222 ppm1=4.264 ppm2=8.396 assign ( resid 2055 and name HB3 ) ( resid 2049 and name HG3 or resid 2056 and name HB3 or resid 2057 and name HG3 or resid 2057 and name HG2 or resid 2058 and name HG2 or resid 2058 and name HG3 or resid 2058 and name HB3 or resid 2061 and name HG3 or resid 2061 and name HG2 ) 3.2 1.2 1.2 volume=0.183 peak=307 ppm1=4.443 ppm2=2.490 assign ( resid 2137 and name HG2# ) ( resid 2083 and name H or resid 2086 and name H or resid 2087 and name H or resid 2094 and name H or resid 2137 and name H or resid 2138 and name HE21 ) 2.3 0.7 0.7 volume=1.199 peak=268 ppm1=0.999 ppm2=7.589 assign ( resid 2117 and name HG2# ) ( resid 2117 and name HB ) 2.3 0.6 0.6 volume=1.335 peak=258 ppm1=1.200 ppm2=4.823 assign ( resid 2123 and name HA ) ( resid 2047 and name HA or resid 2050 and name HA or resid 2052 and name HA or resid 2055 and name HB3 or resid 2086 and name HA or resid 2088 and name HA or resid 2093 and name HA2 or resid 2097 and name HA or resid 2124 and name HA or resid 2124 and name HB or resid 2139 and name HA or resid 2140 and name HA ) 3.1 1.2 1.2 volume=0.220 peak=632 ppm1=5.187 ppm2=4.467 assign ( resid 2119 and name HG2# ) ( resid 2052 and name HB3 or resid 2052 and name HB2 or resid 2089 and name HB2 ) 2.6 0.9 0.9 volume=0.552 peak=481 ppm1=0.289 ppm2=2.768 assign ( resid 2059 and name HG2 ) ( resid 2059 and name H ) 2.8 1.0 1.0 volume=0.358 peak=153 ppm1=2.846 ppm2=9.121 assign ( resid 2122 and name HD2 ) ( resid 2109 and name HD21 or resid 2120 and name HE# or resid 2122 and name H ) 3.1 1.2 1.2 volume=0.209 peak=1106 ppm1=6.800 ppm2=7.326 assign ( resid 2075 and name HD2# ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2134 and name HA ) 2.7 0.9 0.9 volume=0.481 peak=1155 ppm1=0.816 ppm2=3.708 assign ( resid 2119 and name HA ) ( resid 2061 and name H or resid 2082 and name H or resid 2119 and name H or resid 2136 and name H ) 2.5 0.8 0.8 volume=0.713 peak=460 ppm1=3.862 ppm2=8.125 assign ( resid 2065 and name HA ) ( resid 2068 and name H or resid 2070 and name H or resid 2102 and name H or resid 2105 and name H or resid 2113 and name H or resid 2132 and name H or resid 2133 and name H ) 2.6 0.9 0.9 volume=0.520 peak=234 ppm1=4.014 ppm2=8.573 assign ( resid 2133 and name HA ) ( resid 2078 and name HB3 or resid 2095 and name HB2 or resid 2108 and name HB2 or resid 2133 and name HB3 ) 2.6 0.8 0.8 volume=0.585 peak=512 ppm1=3.865 ppm2=3.286 assign ( resid 2062 and name HB or resid 2134 and name HB ) ( resid 2058 and name H or resid 2063 and name H or resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2130 and name H or resid 2131 and name H or resid 2135 and name H ) 2.2 0.6 0.6 volume=1.595 peak=224 ppm1=4.260 ppm2=7.925 assign ( resid 2117 and name HB ) ( resid 2060 and name HE21 or resid 2117 and name H or resid 2122 and name HD2 ) 3.1 1.2 1.2 volume=0.213 peak=253 ppm1=4.827 ppm2=6.831 assign ( resid 2097 and name HA or resid 2124 and name HA ) ( resid 2100 and name H ) 2.8 1.0 1.0 volume=0.407 peak=286 ppm1=4.435 ppm2=7.236 assign ( resid 2119 and name HA ) ( resid 2119 and name HD1# ) 2.1 0.6 0.6 volume=1.982 peak=505 ppm1=3.862 ppm2=0.217 assign ( resid 2094 and name HB ) ( resid 2052 and name HB3 or resid 2052 and name HB2 or resid 2089 and name HB2 ) 2.7 0.9 0.9 volume=0.436 peak=540 ppm1=1.727 ppm2=2.756 assign ( resid 2123 and name HD3 ) ( resid 2059 and name HG3 or resid 2116 and name HB3 or resid 2121 and name HB2 or resid 2122 and name HB2 or resid 2123 and name HB2 ) 2.7 0.9 0.9 volume=0.502 peak=1134 ppm1=3.422 ppm2=2.361 assign ( resid 2061 and name HG3 ) ( resid 2048 and name HD2 or resid 2057 and name HE22 or resid 2058 and name HE21 or resid 2061 and name HE22 or resid 2078 and name HD2 or resid 2104 and name HD21 ) 2.9 1.1 1.1 volume=0.287 peak=179 ppm1=2.519 ppm2=6.967 assign ( resid 2123 and name HD3 ) ( resid 2049 and name HB3 or resid 2058 and name HB2 or resid 2080 and name HB3 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG3 or resid 2085 and name HG2 or resid 2097 and name HB2 or resid 2103 and name HB3 or resid 2115 and name HB3 or resid 2116 and name HB2 or resid 2118 and name HB3 or resid 2123 and name HG2 or resid 2130 and name HB3 or resid 2132 and name HB2 or resid 2138 and name HB2 ) 2.5 0.8 0.8 volume=0.765 peak=670 ppm1=3.422 ppm2=2.065 assign ( resid 2135 and name HD3 ) ( resid 2050 and name HG3 or resid 2068 and name HB# or resid 2083 and name HG13 or resid 2128 and name HG or resid 2135 and name HB3 or resid 2135 and name HB2 ) 2.6 0.8 0.8 volume=0.627 peak=375 ppm1=3.068 ppm2=1.650 assign ( resid 2089 and name HE# ) ( resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.7 0.9 0.9 volume=0.433 peak=1097 ppm1=7.645 ppm2=0.787 assign ( resid 2103 and name HA ) ( resid 2049 and name HB3 or resid 2058 and name HB2 or resid 2060 and name HB3 or resid 2080 and name HB3 or resid 2092 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB3 or resid 2116 and name HB2 or resid 2123 and name HG2 or resid 2132 and name HG or resid 2138 and name HB2 ) 2.5 0.8 0.8 volume=0.687 peak=334 ppm1=3.703 ppm2=2.092 assign ( resid 2090 and name HG2 ) ( resid 2091 and name H or resid 2120 and name HD# ) 2.8 1.0 1.0 volume=0.350 peak=421 ppm1=1.542 ppm2=7.194 assign ( resid 2059 and name HA ) ( resid 2059 and name HG3 or resid 2081 and name HG2 or resid 2081 and name HG3 or resid 2116 and name HB3 or resid 2121 and name HB2 or resid 2122 and name HB2 or resid 2123 and name HB2 ) 2.6 0.9 0.9 volume=0.571 peak=115 ppm1=3.833 ppm2=2.347 assign ( resid 2123 and name HA ) ( resid 2050 and name HB3 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2060 and name HG2 or resid 2063 and name HB3 or resid 2066 and name HB2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2106 and name HB3 or resid 2123 and name HG3 ) 2.9 1.0 1.0 volume=0.334 peak=639 ppm1=5.185 ppm2=1.970 assign ( resid 2130 and name HA ) ( resid 2056 and name HG3 or resid 2057 and name HB3 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2061 and name HB2 or resid 2061 and name HB3 or resid 2080 and name HG3 or resid 2080 and name HB2 or resid 2103 and name HB2 or resid 2116 and name HG2 or resid 2116 and name HG3 or resid 2130 and name HG2 or resid 2130 and name HB2 or resid 2138 and name HB3 ) 2.1 0.5 0.5 volume=2.150 peak=187 ppm1=3.996 ppm2=2.157 assign ( resid 2140 and name HD2 ) ( resid 2095 and name H or resid 2108 and name H or resid 2110 and name H or resid 2121 and name H or resid 2140 and name HE1 or resid 2140 and name H ) 3.3 1.4 1.4 volume=0.133 peak=747 ppm1=7.053 ppm2=8.024 assign ( resid 2067 and name HA ) ( resid 2066 and name H or resid 2076 and name H or resid 2103 and name H or resid 2131 and name HE1 or resid 2133 and name HE1 or resid 2138 and name H ) 3.5 1.6 1.6 volume=0.091 peak=439 ppm1=3.536 ppm2=7.773 assign ( resid 2096 and name HB3 ) ( resid 2049 and name H or resid 2065 and name H or resid 2097 and name H or resid 2106 and name H or resid 2134 and name H or resid 2139 and name H ) 2.9 1.0 1.0 volume=0.317 peak=1125 ppm1=4.014 ppm2=8.285 assign ( resid 2106 and name HB2 ) ( resid 2050 and name HB2 or resid 2059 and name HB2 or resid 2063 and name HG or resid 2100 and name HG or resid 2102 and name HB2 or resid 2106 and name HG ) 2.8 1.0 1.0 volume=0.363 peak=882 ppm1=1.092 ppm2=1.827 assign ( resid 2097 and name HB2 or resid 2132 and name HB2 ) ( resid 2062 and name HG2# or resid 2079 and name HG2# or resid 2114 and name HD1# or resid 2117 and name HG2# or resid 2132 and name HB3 or resid 2134 and name HG2# or resid 2135 and name HG3 or resid 2135 and name HG2 ) 2.3 0.7 0.7 volume=1.137 peak=813 ppm1=2.043 ppm2=1.218 assign ( resid 2056 and name HD2 ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2056 and name HB2 or resid 2057 and name HB2 or resid 2063 and name HB3 or resid 2080 and name HG2 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG2 or resid 2085 and name HB2 or resid 2097 and name HB2 or resid 2106 and name HB3 or resid 2115 and name HB3 or resid 2125 and name HB3 or resid 2128 and name HB2 or resid 2130 and name HB3 ) 2.9 1.1 1.1 volume=0.302 peak=587 ppm1=4.008 ppm2=2.016 assign ( resid 2128 and name HG ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H or resid 2129 and name H ) 3.1 1.2 1.2 volume=0.205 peak=866 ppm1=1.650 ppm2=8.908 assign ( resid 2110 and name HB ) ( resid 2092 and name HD2# or resid 2097 and name HD1# or resid 2118 and name HD1# or resid 2136 and name HD2# ) 2.5 0.8 0.8 volume=0.686 peak=248 ppm1=4.155 ppm2=0.952 assign ( resid 2060 and name HA ) ( resid 2133 and name HD2 ) 3.2 1.3 1.3 volume=0.161 peak=161 ppm1=3.537 ppm2=6.650 assign ( resid 2099 and name HA ) ( resid 2067 and name HG2# or resid 2067 and name HG1# or resid 2106 and name HB2 or resid 2112 and name HB2 or resid 2118 and name HD2# or resid 2119 and name HG12 or resid 2128 and name HD2# or resid 2129 and name HG2# ) 2.8 1.0 1.0 volume=0.336 peak=24 ppm1=3.702 ppm2=1.085 assign ( resid 2075 and name HG ) ( resid 2072 and name HB# or resid 2075 and name HB3 or resid 2087 and name HG2# or resid 2098 and name HG2# or resid 2103 and name HG2 or resid 2112 and name HG or resid 2114 and name HB3 ) 2.6 0.9 0.9 volume=0.546 peak=986 ppm1=1.770 ppm2=1.383 assign ( resid 2066 and name HA ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2056 and name HB2 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2060 and name HG2 or resid 2063 and name HB3 or resid 2066 and name HB2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2106 and name HB3 or resid 2123 and name HG3 or resid 2128 and name HB2 ) 2.4 0.7 0.7 volume=0.955 peak=1004 ppm1=4.238 ppm2=1.984 assign ( resid 2137 and name HB ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2097 and name HD2# or resid 2100 and name HD1# or resid 2124 and name HG2# or resid 2128 and name HD1# or resid 2136 and name HD2# or resid 2137 and name HG2# ) 1.9 0.4 0.4 volume=4.055 peak=276 ppm1=4.246 ppm2=0.995 assign ( resid 2134 and name HA ) ( resid 2058 and name H or resid 2063 and name H or resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2130 and name H or resid 2131 and name H or resid 2135 and name H ) 2.9 1.0 1.0 volume=0.334 peak=300 ppm1=3.706 ppm2=7.906 assign ( resid 2097 and name HB2 or resid 2132 and name HB2 ) ( resid 2050 and name HG2 or resid 2051 and name HB3 or resid 2075 and name HG or resid 2090 and name HD3 or resid 2090 and name HD2 or resid 2092 and name HG or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2118 and name HB2 or resid 2127 and name HB# ) 1.6 0.3 0.3 volume=9.502 peak=814 ppm1=2.042 ppm2=1.735 assign ( resid 2128 and name HB2 ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H or resid 2129 and name H ) 2.6 0.8 0.8 volume=0.622 peak=858 ppm1=2.003 ppm2=8.899 assign ( resid 2058 and name HB2 or resid 2138 and name HB2 ) ( resid 2049 and name HG2 or resid 2057 and name HG3 or resid 2057 and name HG2 or resid 2058 and name HB3 or resid 2061 and name HG2 or resid 2085 and name HB3 or resid 2101 and name HG2 or resid 2115 and name HB2 or resid 2123 and name HB3 or resid 2138 and name HG3 or resid 2138 and name HG2 ) 1.8 0.4 0.4 volume=4.996 peak=107 ppm1=2.081 ppm2=2.433 assign ( resid 2140 and name HD2 ) ( resid 2050 and name HD3 or resid 2050 and name HD2 or resid 2103 and name HD2 or resid 2120 and name HB3 or resid 2140 and name HB2 ) 3.0 1.1 1.1 volume=0.251 peak=745 ppm1=7.061 ppm2=3.202 assign ( resid 2092 and name HA ) ( resid 2093 and name H or resid 2120 and name H ) 2.8 1.0 1.0 volume=0.351 peak=952 ppm1=4.383 ppm2=7.501 assign ( resid 2138 and name HB3 ) ( resid 2049 and name HG2 or resid 2085 and name HB3 or resid 2101 and name HG2 or resid 2115 and name HB2 or resid 2123 and name HB3 or resid 2138 and name HG3 or resid 2138 and name HG2 ) 1.9 0.4 0.4 volume=3.933 peak=205 ppm1=2.137 ppm2=2.422 assign ( resid 2116 and name HD2 ) ( resid 2060 and name HE21 or resid 2117 and name H or resid 2122 and name HD2 ) 3.0 1.1 1.1 volume=0.238 peak=731 ppm1=3.943 ppm2=6.821 assign ( resid 2103 and name HD2 ) ( resid 2072 and name HB# or resid 2075 and name HB3 or resid 2094 and name HG12 or resid 2098 and name HG2# or resid 2103 and name HG2 or resid 2112 and name HG or resid 2114 and name HB3 ) 2.7 0.9 0.9 volume=0.490 peak=355 ppm1=3.230 ppm2=1.407 assign ( resid 2140 and name HD2 ) ( resid 2048 and name HB3 or resid 2078 and name HB2 or resid 2090 and name HE2 or resid 2090 and name HE3 or resid 2103 and name HD3 or resid 2104 and name HB2 or resid 2135 and name HD3 or resid 2140 and name HB3 ) 2.8 1.0 1.0 volume=0.355 peak=744 ppm1=7.061 ppm2=3.067 assign ( resid 2092 and name HB2 ) ( resid 2056 and name HA or resid 2073 and name HB or resid 2079 and name HB or resid 2092 and name HA or resid 2104 and name HA or resid 2108 and name HA or resid 2120 and name HA or resid 2129 and name HA or resid 2137 and name HA or resid 2138 and name HA ) 2.6 0.8 0.8 volume=0.621 peak=965 ppm1=2.122 ppm2=4.379 assign ( resid 2060 and name HB3 or resid 2080 and name HG3 or resid 2116 and name HG2 or resid 2116 and name HG3 ) ( resid 2062 and name HG2# or resid 2079 and name HG2# or resid 2114 and name HD1# or resid 2117 and name HG2# or resid 2132 and name HB3 or resid 2134 and name HG2# or resid 2135 and name HG3 or resid 2135 and name HG2 ) 2.4 0.7 0.7 volume=0.900 peak=596 ppm1=2.147 ppm2=1.204 assign ( resid 2125 and name HD2 ) ( resid 2063 and name HB2 or resid 2065 and name HG2# or resid 2086 and name HB# or resid 2087 and name HG2# or resid 2102 and name HG or resid 2105 and name HG2# or resid 2107 and name HG2# or resid 2125 and name HG3 ) 2.8 1.0 1.0 volume=0.378 peak=721 ppm1=2.560 ppm2=1.343 assign ( resid 2066 and name HB3 ) ( resid 2061 and name HA or resid 2063 and name HA or resid 2076 and name HA3 or resid 2081 and name HA or resid 2098 and name HA or resid 2100 and name HA or resid 2101 and name HA or resid 2105 and name HA or resid 2111 and name HA3 or resid 2116 and name HA or resid 2125 and name HA or resid 2127 and name HA or resid 2128 and name HA ) 2.5 0.8 0.8 volume=0.664 peak=1000 ppm1=1.793 ppm2=4.119 assign ( resid 2060 and name HG2 ) ( resid 2056 and name HG3 or resid 2057 and name HB3 or resid 2058 and name HB2 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2080 and name HG3 or resid 2080 and name HB2 or resid 2080 and name HB3 or resid 2092 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB2 or resid 2103 and name HB3 or resid 2116 and name HG2 or resid 2116 and name HB2 or resid 2116 and name HG3 or resid 2130 and name HB2 or resid 2132 and name HG or resid 2138 and name HB3 ) 1.6 0.3 0.3 volume=11.375 peak=174 ppm1=1.949 ppm2=2.121 assign ( resid 2119 and name HG12 ) ( resid 2083 and name HD1# or resid 2094 and name HG2# or resid 2094 and name HD1# or resid 2112 and name HD1# or resid 2119 and name HG13 ) 2.0 0.5 0.5 volume=2.722 peak=495 ppm1=1.106 ppm2=0.726 assign ( resid 2137 and name HA ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2097 and name HD2# or resid 2100 and name HD1# or resid 2124 and name HG2# or resid 2128 and name HD1# or resid 2136 and name HD2# or resid 2137 and name HG2# ) 2.0 0.5 0.5 volume=3.170 peak=275 ppm1=4.381 ppm2=0.995 assign ( resid 2125 and name HG3 ) ( resid 2057 and name HA or resid 2061 and name HA or resid 2063 and name HA or resid 2076 and name HA3 or resid 2081 and name HA or resid 2098 and name HA or resid 2100 and name HA or resid 2101 and name HA or resid 2105 and name HA or resid 2111 and name HA3 or resid 2116 and name HA or resid 2125 and name HA or resid 2128 and name HA ) 2.9 1.0 1.0 volume=0.327 peak=706 ppm1=1.345 ppm2=4.115 assign ( resid 2103 and name HD2 ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H ) 3.3 1.4 1.4 volume=0.134 peak=361 ppm1=3.228 ppm2=8.882 assign ( resid 2119 and name HG13 ) ( resid 2067 and name HG2# or resid 2067 and name HG1# or resid 2106 and name HB2 or resid 2118 and name HD2# or resid 2119 and name HG12 or resid 2129 and name HG2# ) 2.0 0.5 0.5 volume=2.970 peak=493 ppm1=0.729 ppm2=1.105 assign ( resid 2131 and name HD2 ) ( resid 2057 and name HB3 or resid 2058 and name HB2 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2080 and name HB3 or resid 2092 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB3 or resid 2116 and name HB2 or resid 2123 and name HG2 or resid 2132 and name HG or resid 2138 and name HB2 ) 3.5 1.5 1.5 volume=0.095 peak=787 ppm1=6.054 ppm2=2.100 assign ( resid 2117 and name HB ) ( resid 2089 and name HD# or resid 2091 and name H or resid 2120 and name HD# ) 2.8 1.0 1.0 volume=0.345 peak=254 ppm1=4.828 ppm2=7.183 assign ( resid 2123 and name HA ) ( resid 2049 and name HB3 or resid 2058 and name HB2 or resid 2080 and name HB3 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG3 or resid 2085 and name HG2 or resid 2097 and name HB2 or resid 2103 and name HB3 or resid 2115 and name HB3 or resid 2116 and name HB2 or resid 2118 and name HB3 or resid 2123 and name HG2 or resid 2130 and name HB3 or resid 2132 and name HB2 or resid 2138 and name HB2 ) 2.8 1.0 1.0 volume=0.348 peak=638 ppm1=5.186 ppm2=2.063 assign ( resid 2070 and name HB# ) ( resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 1.7 0.4 0.4 volume=7.726 peak=22 ppm1=1.449 ppm2=0.796 assign ( resid 2054 and name HB2 ) ( resid 2049 and name HG3 or resid 2056 and name HB3 or resid 2057 and name HG3 or resid 2057 and name HG2 or resid 2058 and name HG2 or resid 2058 and name HG3 or resid 2058 and name HB3 or resid 2061 and name HG2 or resid 2115 and name HB2 ) 2.7 0.9 0.9 volume=0.425 peak=1035 ppm1=1.553 ppm2=2.466 assign ( resid 2067 and name HG2# ) ( resid 2056 and name HG2 or resid 2067 and name HB or resid 2101 and name HG3 or resid 2125 and name HB2 or resid 2128 and name HB3 or resid 2130 and name HG3 ) 1.9 0.5 0.5 volume=3.658 peak=451 ppm1=1.134 ppm2=2.265 assign ( resid 2135 and name HB3 or resid 2135 and name HB2 ) ( resid 2048 and name HB3 or resid 2090 and name HE2 or resid 2090 and name HE3 or resid 2103 and name HD3 or resid 2104 and name HB2 or resid 2135 and name HD3 or resid 2140 and name HB3 ) 3.1 1.2 1.2 volume=0.195 peak=390 ppm1=1.661 ppm2=3.054 assign ( resid 2103 and name HA ) ( resid 2063 and name HB2 or resid 2065 and name HG2# or resid 2086 and name HB# or resid 2102 and name HG or resid 2105 and name HG2# or resid 2107 and name HG2# or resid 2125 and name HG3 ) 3.0 1.1 1.1 volume=0.233 peak=1128 ppm1=3.702 ppm2=1.313 assign ( resid 2133 and name HD2 ) ( resid 2054 and name HD1# or resid 2063 and name HD1# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 2.2 0.6 0.6 volume=1.505 peak=760 ppm1=6.651 ppm2=0.873 assign ( resid 2112 and name HA ) ( resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2066 and name HG or resid 2069 and name HB# or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2118 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 2.6 0.8 0.8 volume=0.648 peak=874 ppm1=4.287 ppm2=1.585 assign ( resid 2122 and name HB2 ) ( resid 2060 and name HE21 or resid 2117 and name H or resid 2122 and name HD2 ) 3.2 1.3 1.3 volume=0.157 peak=1104 ppm1=2.371 ppm2=6.802 assign ( resid 2133 and name HA ) ( resid 2133 and name HD2 ) 2.6 0.8 0.8 volume=0.598 peak=517 ppm1=3.863 ppm2=6.649 assign ( resid 2127 and name HB# ) ( resid 2058 and name HA or resid 2063 and name HA or resid 2070 and name HA or resid 2076 and name HA3 or resid 2081 and name HA or resid 2089 and name HA or resid 2096 and name HA or resid 2100 and name HA or resid 2101 and name HA or resid 2105 and name HA or resid 2106 and name HA or resid 2110 and name HB or resid 2111 and name HA3 or resid 2125 and name HA or resid 2127 and name HA ) 1.8 0.4 0.4 volume=5.110 peak=20 ppm1=1.716 ppm2=4.150 assign ( resid 2123 and name HD3 ) ( resid 2123 and name HA ) 3.4 1.4 1.4 volume=0.117 peak=663 ppm1=3.420 ppm2=5.181 assign ( resid 2125 and name HG2 ) ( resid 2055 and name H or resid 2081 and name H or resid 2126 and name H ) 3.5 1.6 1.6 volume=0.092 peak=703 ppm1=1.920 ppm2=9.075 assign ( resid 2103 and name HA ) ( resid 2072 and name HB# or resid 2075 and name HB3 or resid 2094 and name HG12 or resid 2098 and name HG2# or resid 2103 and name HG2 or resid 2112 and name HG or resid 2114 and name HB3 ) 2.7 0.9 0.9 volume=0.518 peak=338 ppm1=3.704 ppm2=1.409 assign ( resid 2102 and name HD1# ) ( resid 2057 and name HE21 or resid 2075 and name H or resid 2077 and name HE1 or resid 2089 and name HE# or resid 2112 and name H or resid 2126 and name HE1 ) 2.8 1.0 1.0 volume=0.348 peak=893 ppm1=0.807 ppm2=7.649 assign ( resid 2133 and name HD2 ) ( resid 2050 and name HB3 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2060 and name HG2 or resid 2066 and name HB2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2106 and name HB3 or resid 2123 and name HG3 ) 3.2 1.3 1.3 volume=0.170 peak=762 ppm1=6.651 ppm2=1.965 assign ( resid 2059 and name HG2 ) ( resid 2054 and name H or resid 2059 and name HE21 or resid 2109 and name HD22 ) 2.9 1.0 1.0 volume=0.331 peak=154 ppm1=2.847 ppm2=7.412 assign ( resid 2128 and name HB3 ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H or resid 2129 and name H ) 2.6 0.9 0.9 volume=0.566 peak=850 ppm1=2.242 ppm2=8.901 assign ( resid 2100 and name HB2 or resid 2100 and name HB3 ) ( resid 2055 and name HB3 or resid 2082 and name HA or resid 2086 and name HA or resid 2097 and name HA or resid 2104 and name HA or resid 2120 and name HA or resid 2124 and name HA or resid 2124 and name HB or resid 2129 and name HA or resid 2138 and name HA or resid 2139 and name HA ) 2.7 0.9 0.9 volume=0.511 peak=928 ppm1=1.890 ppm2=4.429 assign ( resid 2121 and name HA ) ( resid 2120 and name HB2 or resid 2133 and name HB2 ) 3.3 1.4 1.4 volume=0.135 peak=88 ppm1=4.056 ppm2=2.976 assign ( resid 2116 and name HB2 ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2097 and name HD2# or resid 2100 and name HD2# or resid 2100 and name HD1# or resid 2124 and name HG2# or resid 2128 and name HD2# or resid 2128 and name HD1# ) 2.5 0.8 0.8 volume=0.667 peak=726 ppm1=2.093 ppm2=1.031 assign ( resid 2125 and name HD3 ) ( resid 2056 and name HG2 or resid 2081 and name HG2 or resid 2081 and name HG3 or resid 2101 and name HG3 or resid 2125 and name HB2 ) 3.1 1.2 1.2 volume=0.201 peak=711 ppm1=3.765 ppm2=2.297 assign ( resid 2131 and name HD2 ) ( resid 2061 and name HG3 or resid 2113 and name HB3 or resid 2125 and name HD2 or resid 2131 and name HB3 ) 3.5 1.5 1.5 volume=0.098 peak=786 ppm1=6.057 ppm2=2.539 assign ( resid 2094 and name HD1# ) ( resid 2095 and name H or resid 2110 and name H or resid 2140 and name HE1 or resid 2140 and name H ) 2.5 0.8 0.8 volume=0.694 peak=557 ppm1=0.750 ppm2=8.053 assign ( resid 2067 and name HA ) ( resid 2056 and name HG2 or resid 2067 and name HB or resid 2101 and name HG3 or resid 2125 and name HB2 or resid 2128 and name HB3 or resid 2130 and name HG3 ) 2.5 0.8 0.8 volume=0.713 peak=441 ppm1=3.529 ppm2=2.261 assign ( resid 2092 and name HB2 ) ( resid 2072 and name HB# or resid 2075 and name HB3 or resid 2086 and name HB# or resid 2087 and name HG2# or resid 2098 and name HG2# or resid 2103 and name HG2 or resid 2125 and name HG3 ) 2.9 1.1 1.1 volume=0.286 peak=971 ppm1=2.117 ppm2=1.373 assign ( resid 2098 and name HG2# ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2097 and name HD2# or resid 2100 and name HD2# or resid 2100 and name HD1# or resid 2124 and name HG2# or resid 2128 and name HD1# or resid 2137 and name HG2# ) 2.0 0.5 0.5 volume=2.928 peak=246 ppm1=1.394 ppm2=1.009 assign ( resid 2083 and name HA or resid 2094 and name HA ) ( resid 2083 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2094 and name HD1# or resid 2106 and name HD2# or resid 2112 and name HD1# or resid 2119 and name HG13 ) 1.9 0.4 0.4 volume=4.442 peak=528 ppm1=4.032 ppm2=0.755 assign ( resid 2134 and name HA ) ( resid 2083 and name H or resid 2086 and name H or resid 2087 and name H or resid 2094 and name H or resid 2137 and name H or resid 2138 and name HE21 ) 3.1 1.2 1.2 volume=0.213 peak=302 ppm1=3.706 ppm2=7.589 assign ( resid 2118 and name HD1# ) ( resid 2109 and name HD21 or resid 2118 and name H ) 2.8 1.0 1.0 volume=0.387 peak=1074 ppm1=0.925 ppm2=7.367 assign ( resid 2094 and name HG2# ) ( resid 2089 and name HD# or resid 2091 and name H or resid 2120 and name HZ or resid 2120 and name HD# ) 2.7 0.9 0.9 volume=0.509 peak=551 ppm1=0.714 ppm2=7.161 assign ( resid 2115 and name HG2 ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2049 and name HB3 or resid 2056 and name HB2 or resid 2063 and name HB3 or resid 2080 and name HG2 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG3 or resid 2085 and name HG2 or resid 2097 and name HB2 or resid 2115 and name HB3 or resid 2118 and name HB3 or resid 2123 and name HG2 or resid 2125 and name HB3 or resid 2128 and name HB2 or resid 2130 and name HB3 or resid 2132 and name HB2 or resid 2138 and name HB2 ) 2.2 0.6 0.6 volume=1.393 peak=618 ppm1=2.222 ppm2=2.038 assign ( resid 2055 and name HB3 ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2056 and name HB2 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2063 and name HB3 or resid 2066 and name HB2 or resid 2080 and name HG2 or resid 2085 and name HG2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2106 and name HB3 or resid 2115 and name HB3 or resid 2123 and name HG3 or resid 2125 and name HB3 or resid 2128 and name HB2 ) 3.3 1.3 1.3 volume=0.150 peak=1154 ppm1=4.442 ppm2=1.999 assign ( resid 2090 and name HG3 ) ( resid 2051 and name HB3 or resid 2066 and name HB3 or resid 2075 and name HG or resid 2090 and name HB3 or resid 2090 and name HD3 or resid 2090 and name HD2 or resid 2097 and name HG or resid 2097 and name HB3 or resid 2136 and name HG or resid 2136 and name HB3 ) 1.7 0.4 0.4 volume=6.878 peak=418 ppm1=1.479 ppm2=1.766 assign ( resid 2120 and name HZ ) ( resid 2120 and name HE# or resid 2122 and name HE1 ) 2.0 0.5 0.5 volume=3.110 peak=1094 ppm1=7.138 ppm2=7.286 assign ( resid 2125 and name HG3 ) ( resid 2113 and name HB3 or resid 2125 and name HD2 or resid 2131 and name HB3 ) 2.9 1.1 1.1 volume=0.283 peak=709 ppm1=1.341 ppm2=2.552 assign ( resid 2125 and name HD3 ) ( resid 2063 and name HB2 or resid 2065 and name HG2# or resid 2075 and name HB3 or resid 2086 and name HB# or resid 2087 and name HG2# or resid 2102 and name HG or resid 2105 and name HG2# or resid 2107 and name HG2# or resid 2125 and name HG3 ) 2.7 0.9 0.9 volume=0.430 peak=692 ppm1=3.766 ppm2=1.348 assign ( resid 2136 and name HD1# ) ( resid 2051 and name HB3 or resid 2066 and name HB3 or resid 2075 and name HG or resid 2090 and name HB3 or resid 2090 and name HD3 or resid 2090 and name HD2 or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2136 and name HG or resid 2136 and name HB3 ) 1.8 0.4 0.4 volume=4.970 peak=846 ppm1=0.877 ppm2=1.764 assign ( resid 2050 and name HG2 ) ( resid 2050 and name H or resid 2051 and name H or resid 2078 and name H or resid 2079 and name H ) 3.2 1.3 1.3 volume=0.165 peak=324 ppm1=1.721 ppm2=8.731 assign ( resid 2103 and name HB3 ) ( resid 2048 and name HB3 or resid 2078 and name HB2 or resid 2090 and name HE2 or resid 2090 and name HE3 or resid 2103 and name HD3 or resid 2104 and name HB2 or resid 2135 and name HD3 or resid 2140 and name HB3 ) 3.4 1.4 1.4 volume=0.119 peak=344 ppm1=2.096 ppm2=3.068 assign ( resid 2132 and name HG ) ( resid 2060 and name HA or resid 2067 and name HA or resid 2129 and name HB or resid 2132 and name HA ) 2.7 0.9 0.9 volume=0.463 peak=822 ppm1=2.109 ppm2=3.557 assign ( resid 2120 and name HA ) ( resid 2050 and name HD3 or resid 2050 and name HD2 or resid 2103 and name HD2 or resid 2120 and name HB3 or resid 2140 and name HB2 ) 2.3 0.6 0.6 volume=1.326 peak=1081 ppm1=4.413 ppm2=3.214 assign ( resid 2103 and name HA ) ( resid 2048 and name HB3 or resid 2078 and name HB2 or resid 2090 and name HE2 or resid 2090 and name HE3 or resid 2103 and name HD3 or resid 2104 and name HB2 or resid 2135 and name HD3 or resid 2140 and name HB3 ) 3.3 1.4 1.4 volume=0.134 peak=333 ppm1=3.701 ppm2=3.058 assign ( resid 2051 and name HB3 ) ( resid 2047 and name HA or resid 2050 and name HA or resid 2051 and name HA or resid 2052 and name HA or resid 2110 and name HA ) 2.6 0.9 0.9 volume=0.543 peak=3 ppm1=1.735 ppm2=4.514 assign ( resid 2137 and name HA ) ( resid 2083 and name H or resid 2086 and name H or resid 2087 and name H or resid 2094 and name H or resid 2137 and name H or resid 2138 and name HE21 ) 2.4 0.7 0.7 volume=0.863 peak=264 ppm1=4.381 ppm2=7.588 assign ( resid 2102 and name HD2# ) ( resid 2057 and name HE21 or resid 2089 and name HE# or resid 2112 and name H or resid 2126 and name HE1 ) 2.5 0.8 0.8 volume=0.735 peak=916 ppm1=0.490 ppm2=7.644 assign ( resid 2119 and name HB ) ( resid 2089 and name HD# or resid 2091 and name H or resid 2120 and name HZ or resid 2120 and name HD# ) 3.0 1.2 1.2 volume=0.227 peak=464 ppm1=1.597 ppm2=7.159 assign ( resid 2065 and name HA ) ( resid 2049 and name H or resid 2052 and name H or resid 2065 and name H or resid 2084 and name H or resid 2097 and name H or resid 2106 and name H or resid 2134 and name H or resid 2139 and name H ) 2.4 0.7 0.7 volume=0.934 peak=228 ppm1=4.015 ppm2=8.301 assign ( resid 2131 and name HB2 ) ( resid 2049 and name HG3 or resid 2056 and name HB3 or resid 2061 and name HG3 or resid 2113 and name HB3 or resid 2125 and name HD2 or resid 2131 and name HB3 ) 2.4 0.7 0.7 volume=0.873 peak=781 ppm1=2.853 ppm2=2.529 assign ( resid 2060 and name HB3 or resid 2080 and name HG3 or resid 2116 and name HG2 or resid 2116 and name HG3 ) ( resid 2056 and name HD3 or resid 2073 and name HA or resid 2080 and name HD3 or resid 2116 and name HD2 or resid 2135 and name HA ) 2.1 0.5 0.5 volume=2.250 peak=594 ppm1=2.147 ppm2=3.938 assign ( resid 2090 and name HE2 or resid 2090 and name HE3 ) ( resid 2089 and name HD# or resid 2091 and name H or resid 2120 and name HD# ) 3.1 1.2 1.2 volume=0.212 peak=428 ppm1=3.045 ppm2=7.191 assign ( resid 2066 and name HB2 ) ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HG or resid 2066 and name HG or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2119 and name HB or resid 2135 and name HB3 or resid 2136 and name HB2 ) 2.3 0.6 0.6 volume=1.336 peak=1005 ppm1=1.982 ppm2=1.611 assign ( resid 2130 and name HG2 ) ( resid 2064 and name H or resid 2098 and name H or resid 2128 and name H or resid 2129 and name H ) 3.4 1.5 1.5 volume=0.107 peak=192 ppm1=2.166 ppm2=8.922 assign ( resid 2119 and name HA or resid 2133 and name HA ) ( resid 2067 and name HG2# or resid 2067 and name HG1# or resid 2106 and name HB2 or resid 2112 and name HB2 or resid 2118 and name HD2# or resid 2119 and name HG12 or resid 2129 and name HG2# ) 2.6 0.8 0.8 volume=0.652 peak=507 ppm1=3.862 ppm2=1.093 assign ( resid 2070 and name HA ) ( resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.5 0.8 0.8 volume=0.748 peak=21 ppm1=4.179 ppm2=0.798 assign ( resid 2059 and name HG2 ) ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2066 and name HG or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 2.8 1.0 1.0 volume=0.388 peak=141 ppm1=2.847 ppm2=1.596 assign ( resid 2133 and name HD2 ) ( resid 2053 and name HA3 or resid 2059 and name HA or resid 2082 and name HB2 or resid 2085 and name HD2 or resid 2116 and name HD3 or resid 2119 and name HA or resid 2133 and name HA or resid 2139 and name HB2 or resid 2139 and name HB3 ) 2.6 0.8 0.8 volume=0.626 peak=766 ppm1=6.651 ppm2=3.860 assign ( resid 2125 and name HG3 ) ( resid 2076 and name HA2 or resid 2093 and name HA3 or resid 2111 and name HA2 or resid 2125 and name HD3 ) 2.9 1.1 1.1 volume=0.296 peak=707 ppm1=1.345 ppm2=3.767 assign ( resid 2056 and name HB3 ) ( resid 2056 and name HG2 or resid 2067 and name HB or resid 2101 and name HG3 or resid 2125 and name HB2 ) 2.4 0.7 0.7 volume=0.879 peak=577 ppm1=2.501 ppm2=2.281 assign ( resid 2067 and name HB ) ( resid 2060 and name HA or resid 2067 and name HA or resid 2129 and name HB or resid 2132 and name HA ) 2.5 0.8 0.8 volume=0.696 peak=446 ppm1=2.260 ppm2=3.528 assign ( resid 2099 and name HB# ) ( resid 2058 and name HA or resid 2064 and name HA or resid 2070 and name HA or resid 2089 and name HA or resid 2096 and name HA or resid 2098 and name HB or resid 2101 and name HA or resid 2106 and name HA or resid 2107 and name HA or resid 2110 and name HB or resid 2127 and name HA ) 2.2 0.6 0.6 volume=1.510 peak=39 ppm1=1.253 ppm2=4.179 assign ( resid 2125 and name HA ) ( resid 2076 and name HA2 or resid 2093 and name HA3 or resid 2111 and name HA2 or resid 2125 and name HD3 ) 3.4 1.4 1.4 volume=0.120 peak=689 ppm1=4.118 ppm2=3.766 assign ( resid 2100 and name HB2 or resid 2100 and name HB3 ) ( resid 2061 and name HE21 or resid 2087 and name H or resid 2101 and name H or resid 2120 and name H ) 2.4 0.7 0.7 volume=0.958 peak=930 ppm1=1.887 ppm2=7.551 assign ( resid 2094 and name HG12 ) ( resid 2050 and name HG2 or resid 2051 and name HB3 or resid 2092 and name HG or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2118 and name HB2 or resid 2127 and name HB# ) 2.4 0.7 0.7 volume=0.965 peak=546 ppm1=1.446 ppm2=1.727 assign ( resid 2127 and name HA ) ( resid 2056 and name HG3 or resid 2057 and name HB3 or resid 2060 and name HG3 or resid 2061 and name HB2 or resid 2061 and name HB3 or resid 2080 and name HG3 or resid 2080 and name HB2 or resid 2103 and name HB2 or resid 2116 and name HG2 or resid 2116 and name HG3 or resid 2130 and name HG2 or resid 2130 and name HB2 or resid 2138 and name HB3 ) 2.4 0.7 0.7 volume=0.868 peak=47 ppm1=4.152 ppm2=2.161 assign ( resid 2067 and name HG2# ) ( resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.0 0.5 0.5 volume=2.543 peak=455 ppm1=1.134 ppm2=0.795 assign ( resid 2100 and name HD1# ) ( resid 2048 and name HD2 or resid 2057 and name HE22 or resid 2058 and name HE21 or resid 2061 and name HE22 or resid 2078 and name HD2 or resid 2104 and name HD21 or resid 2126 and name HD2 ) 2.7 0.9 0.9 volume=0.459 peak=938 ppm1=1.005 ppm2=6.963 assign ( resid 2051 and name HB2 or resid 2075 and name HB2 or resid 2092 and name HB3 ) ( resid 2049 and name HA or resid 2056 and name HA or resid 2073 and name HB or resid 2079 and name HB or resid 2092 and name HA or resid 2104 and name HA or resid 2108 and name HA or resid 2137 and name HA ) 2.4 0.7 0.7 volume=0.968 peak=966 ppm1=1.613 ppm2=4.373 assign ( resid 2119 and name HG2# ) ( resid 2070 and name HB# or resid 2083 and name HG12 or resid 2094 and name HG12 or resid 2094 and name HG13 or resid 2102 and name HB3 ) 2.5 0.8 0.8 volume=0.700 peak=483 ppm1=0.288 ppm2=1.455 assign ( resid 2131 and name HA ) ( resid 2068 and name H or resid 2070 and name H or resid 2102 and name H or resid 2113 and name H or resid 2132 and name H ) 2.9 1.1 1.1 volume=0.301 peak=769 ppm1=4.253 ppm2=8.600 assign ( resid 2059 and name HG2 ) ( resid 2059 and name HB3 ) 2.9 1.1 1.1 volume=0.285 peak=138 ppm1=2.847 ppm2=2.597 assign ( resid 2056 and name HA ) ( resid 2056 and name HG3 or resid 2057 and name HB3 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2061 and name HB2 or resid 2080 and name HG3 or resid 2080 and name HB2 or resid 2092 and name HB2 or resid 2103 and name HB2 or resid 2116 and name HG2 or resid 2116 and name HG3 or resid 2130 and name HG2 or resid 2130 and name HB2 or resid 2138 and name HB3 ) 2.5 0.8 0.8 volume=0.720 peak=570 ppm1=4.375 ppm2=2.149 assign ( resid 2099 and name HA ) ( resid 2100 and name H ) 2.8 1.0 1.0 volume=0.344 peak=29 ppm1=3.702 ppm2=7.235 assign ( resid 2118 and name HA ) ( resid 2061 and name H or resid 2082 and name H or resid 2119 and name H or resid 2136 and name H ) 2.8 1.0 1.0 volume=0.336 peak=1053 ppm1=4.067 ppm2=8.112 assign ( resid 2080 and name HD2 or resid 2115 and name HD2 ) ( resid 2079 and name HA or resid 2114 and name HA or resid 2115 and name HA ) 2.6 0.8 0.8 volume=0.631 peak=602 ppm1=3.715 ppm2=4.931 assign ( resid 2051 and name HB3 ) ( resid 2054 and name H or resid 2059 and name HE21 or resid 2109 and name HD22 ) 3.2 1.3 1.3 volume=0.174 peak=1049 ppm1=1.734 ppm2=7.412 assign ( resid 2135 and name HB2 ) ( resid 2060 and name HA or resid 2067 and name HA or resid 2129 and name HB or resid 2132 and name HA ) 2.9 1.0 1.0 volume=0.307 peak=387 ppm1=1.677 ppm2=3.557 assign ( resid 2056 and name HG2 ) ( resid 2056 and name HG3 or resid 2057 and name HB3 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2061 and name HB2 or resid 2061 and name HB3 or resid 2080 and name HG3 or resid 2080 and name HB2 or resid 2092 and name HB2 or resid 2103 and name HB2 or resid 2116 and name HG2 or resid 2116 and name HG3 or resid 2130 and name HG2 or resid 2130 and name HB2 or resid 2138 and name HB3 ) 2.0 0.5 0.5 volume=2.693 peak=578 ppm1=2.291 ppm2=2.154 assign ( resid 2060 and name HB2 ) ( resid 2052 and name HD21 or resid 2060 and name HE22 or resid 2108 and name HD2 or resid 2130 and name HE21 or resid 2130 and name HE22 or resid 2140 and name HD2 ) 3.2 1.2 1.2 volume=0.180 peak=169 ppm1=1.964 ppm2=7.064 assign ( resid 2119 and name HG2# ) ( resid 2055 and name HB3 or resid 2082 and name HA or resid 2097 and name HA or resid 2104 and name HA or resid 2108 and name HA or resid 2120 and name HA or resid 2124 and name HA or resid 2124 and name HB or resid 2129 and name HA or resid 2138 and name HA or resid 2139 and name HA ) 3.1 1.2 1.2 volume=0.218 peak=477 ppm1=0.289 ppm2=4.419 assign ( resid 2090 and name HB3 ) ( resid 2050 and name HB3 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2060 and name HG2 or resid 2066 and name HB2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2106 and name HB3 or resid 2123 and name HG3 ) 1.7 0.4 0.4 volume=7.162 peak=412 ppm1=1.779 ppm2=1.967 assign ( resid 2104 and name HA ) ( resid 2050 and name HD3 or resid 2050 and name HD2 or resid 2078 and name HB3 or resid 2103 and name HD2 or resid 2120 and name HB3 or resid 2140 and name HB2 ) 2.9 1.1 1.1 volume=0.278 peak=67 ppm1=4.408 ppm2=3.223 assign ( resid 2118 and name HB2 ) ( resid 2092 and name HD2# or resid 2097 and name HD1# or resid 2114 and name HD2# or resid 2118 and name HD1# ) 2.4 0.7 0.7 volume=0.879 peak=1066 ppm1=1.721 ppm2=0.914 assign ( resid 2062 and name HG2# ) ( resid 2066 and name H or resid 2076 and name H or resid 2103 and name H or resid 2131 and name HE1 or resid 2133 and name HE1 or resid 2138 and name H ) 3.0 1.1 1.1 volume=0.236 peak=211 ppm1=1.205 ppm2=7.773 assign ( resid 2120 and name HB2 ) ( resid 2055 and name HB3 or resid 2056 and name HA or resid 2079 and name HB or resid 2082 and name HA or resid 2092 and name HA or resid 2097 and name HA or resid 2104 and name HA or resid 2108 and name HA or resid 2120 and name HA or resid 2124 and name HA or resid 2129 and name HA or resid 2137 and name HA or resid 2138 and name HA or resid 2139 and name HA ) 2.4 0.7 0.7 volume=0.876 peak=1084 ppm1=2.979 ppm2=4.412 assign ( resid 2119 and name HG13 ) ( resid 2071 and name HG2# or resid 2073 and name HG2# or resid 2079 and name HG2# or resid 2099 and name HB# or resid 2110 and name HG2# or resid 2114 and name HD1# ) 2.6 0.8 0.8 volume=0.597 peak=492 ppm1=0.731 ppm2=1.258 assign ( resid 2116 and name HA ) ( resid 2109 and name HD21 or resid 2118 and name H ) 3.1 1.2 1.2 volume=0.201 peak=609 ppm1=4.105 ppm2=7.365 assign ( resid 2059 and name HB3 ) ( resid 2060 and name H or resid 2108 and name H or resid 2121 and name H ) 2.8 1.0 1.0 volume=0.360 peak=136 ppm1=2.599 ppm2=7.978 assign ( resid 2097 and name HB3 ) ( resid 2055 and name HB3 or resid 2082 and name HA or resid 2086 and name HA or resid 2088 and name HA or resid 2097 and name HA or resid 2104 and name HA or resid 2120 and name HA or resid 2124 and name HA or resid 2124 and name HB or resid 2129 and name HA or resid 2138 and name HA or resid 2139 and name HA ) 2.2 0.6 0.6 volume=1.803 peak=941 ppm1=1.737 ppm2=4.429 assign ( resid 2103 and name HA ) ( resid 2056 and name HG3 or resid 2057 and name HB3 or resid 2060 and name HG3 or resid 2061 and name HB2 or resid 2061 and name HB3 or resid 2080 and name HG3 or resid 2080 and name HB2 or resid 2103 and name HB2 or resid 2116 and name HG2 or resid 2116 and name HG3 or resid 2130 and name HG2 or resid 2130 and name HB2 or resid 2138 and name HB3 ) 2.6 0.9 0.9 volume=0.534 peak=347 ppm1=3.704 ppm2=2.161 assign ( resid 2064 and name HB# ) ( resid 2064 and name HA or resid 2066 and name HA or resid 2085 and name HA or resid 2089 and name HA or resid 2098 and name HB or resid 2107 and name HA or resid 2136 and name HA or resid 2137 and name HB ) 1.7 0.4 0.4 volume=6.388 peak=6 ppm1=1.568 ppm2=4.218 assign ( resid 2136 and name HD1# ) ( resid 2059 and name HE21 ) 3.0 1.1 1.1 volume=0.250 peak=1118 ppm1=0.880 ppm2=7.410 assign ( resid 2054 and name HB3 ) ( resid 2059 and name HG2 or resid 2089 and name HB3 or resid 2091 and name HB3 or resid 2091 and name HB2 or resid 2109 and name HB2 or resid 2131 and name HB2 ) 3.0 1.1 1.1 volume=0.268 peak=1033 ppm1=1.874 ppm2=2.850 assign ( resid 2123 and name HA ) ( resid 2054 and name HB2 or resid 2064 and name HB# or resid 2069 and name HB# or resid 2075 and name HB2 or resid 2088 and name HB# or resid 2090 and name HG2 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2118 and name HG or resid 2136 and name HB2 ) 3.3 1.4 1.4 volume=0.128 peak=636 ppm1=5.186 ppm2=1.559 assign ( resid 2060 and name HA ) ( resid 2052 and name HD21 or resid 2059 and name HE22 or resid 2060 and name HE22 or resid 2130 and name HE21 or resid 2130 and name HE22 or resid 2140 and name HD2 ) 3.6 1.7 1.7 volume=0.078 peak=160 ppm1=3.540 ppm2=7.069 assign ( resid 2094 and name HG13 ) ( resid 2083 and name HD1# or resid 2094 and name HG2# or resid 2094 and name HD1# or resid 2112 and name HD1# or resid 2119 and name HG13 ) 2.1 0.6 0.6 volume=1.878 peak=547 ppm1=1.468 ppm2=0.746 assign ( resid 2089 and name HD# or resid 2120 and name HD# ) ( resid 2119 and name HG2# ) 2.7 0.9 0.9 volume=0.430 peak=1096 ppm1=7.159 ppm2=0.286 assign ( resid 2099 and name HB# ) ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2066 and name HG or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 2.3 0.7 0.7 volume=1.152 peak=38 ppm1=1.254 ppm2=1.602 assign ( resid 2066 and name HB3 ) ( resid 2066 and name H or resid 2076 and name H or resid 2103 and name H or resid 2131 and name HE1 or resid 2133 and name HE1 or resid 2138 and name H ) 2.3 0.7 0.7 volume=1.164 peak=994 ppm1=1.795 ppm2=7.773 assign ( resid 2095 and name HA ) ( resid 2095 and name H or resid 2110 and name H or resid 2140 and name HE1 or resid 2140 and name H ) 2.5 0.8 0.8 volume=0.687 peak=80 ppm1=4.888 ppm2=8.051 assign ( resid 2103 and name HA ) ( resid 2067 and name HG2# or resid 2067 and name HG1# or resid 2106 and name HB2 or resid 2112 and name HB2 or resid 2118 and name HD2# or resid 2119 and name HG12 or resid 2128 and name HD2# or resid 2129 and name HG2# ) 2.7 0.9 0.9 volume=0.466 peak=339 ppm1=3.703 ppm2=1.086 assign ( resid 2119 and name HA or resid 2133 and name HA ) ( resid 2054 and name HD1# or resid 2063 and name HD1# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 2.0 0.5 0.5 volume=2.528 peak=508 ppm1=3.862 ppm2=0.873 assign ( resid 2118 and name HB2 ) ( resid 2061 and name H or resid 2082 and name H or resid 2119 and name H or resid 2136 and name H ) 2.9 1.0 1.0 volume=0.315 peak=1057 ppm1=1.720 ppm2=8.118 assign ( resid 2135 and name HG3 or resid 2135 and name HG2 ) ( resid 2060 and name HA or resid 2067 and name HA or resid 2129 and name HB or resid 2132 and name HA ) 2.9 1.0 1.0 volume=0.335 peak=398 ppm1=1.197 ppm2=3.564 assign ( resid 2102 and name HB3 ) ( resid 2056 and name HD2 or resid 2056 and name HD3 or resid 2062 and name HA or resid 2074 and name HA or resid 2080 and name HD3 or resid 2082 and name HB3 or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HA or resid 2087 and name HB or resid 2096 and name HB2 or resid 2102 and name HA or resid 2115 and name HD3 or resid 2130 and name HA or resid 2135 and name HA ) 2.6 0.9 0.9 volume=0.563 peak=899 ppm1=1.473 ppm2=3.978 assign ( resid 2100 and name HA ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2097 and name HD2# or resid 2100 and name HD2# or resid 2100 and name HD1# or resid 2112 and name HB2 or resid 2124 and name HG2# or resid 2128 and name HD2# or resid 2128 and name HD1# ) 2.1 0.6 0.6 volume=1.828 peak=926 ppm1=4.150 ppm2=1.041 assign ( resid 2099 and name HB# ) ( resid 2099 and name H ) 2.0 0.5 0.5 volume=3.131 peak=35 ppm1=1.253 ppm2=8.998 assign ( resid 2057 and name HG3 or resid 2057 and name HG2 ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2056 and name HB2 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2063 and name HB3 or resid 2066 and name HB2 or resid 2080 and name HG2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2106 and name HB3 or resid 2123 and name HG3 or resid 2125 and name HB3 or resid 2128 and name HB2 ) 1.9 0.5 0.5 volume=3.551 peak=102 ppm1=2.458 ppm2=1.993 assign ( resid 2096 and name HA ) ( resid 2056 and name HD2 or resid 2062 and name HA or resid 2065 and name HA or resid 2074 and name HA or resid 2082 and name HB3 or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HA or resid 2087 and name HB or resid 2094 and name HA or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2102 and name HA or resid 2115 and name HD3 or resid 2130 and name HA or resid 2135 and name HA ) 1.9 0.5 0.5 volume=3.539 peak=310 ppm1=4.179 ppm2=3.998 assign ( resid 2128 and name HD1# ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2056 and name HB2 or resid 2057 and name HB2 or resid 2063 and name HB3 or resid 2080 and name HG2 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG2 or resid 2085 and name HB2 or resid 2097 and name HB2 or resid 2106 and name HB3 or resid 2115 and name HB3 or resid 2118 and name HB3 or resid 2125 and name HB3 or resid 2128 and name HB2 or resid 2130 and name HB3 ) 2.2 0.6 0.6 volume=1.417 peak=870 ppm1=1.009 ppm2=2.019 assign ( resid 2094 and name HB ) ( resid 2059 and name HG2 or resid 2089 and name HB3 or resid 2091 and name HB3 or resid 2091 and name HB2 or resid 2109 and name HB2 or resid 2131 and name HB2 ) 2.5 0.8 0.8 volume=0.688 peak=537 ppm1=1.730 ppm2=2.853 assign ( resid 2093 and name HA3 ) ( resid 2093 and name H or resid 2120 and name H ) 2.3 0.7 0.7 volume=1.236 peak=64 ppm1=3.761 ppm2=7.501 assign ( resid 2063 and name HB3 ) ( resid 2058 and name H or resid 2063 and name H or resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2131 and name H or resid 2135 and name H ) 2.6 0.9 0.9 volume=0.549 peak=1016 ppm1=2.004 ppm2=7.935 assign ( resid 2059 and name HG3 ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD1# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 2.4 0.7 0.7 volume=0.948 peak=147 ppm1=2.346 ppm2=0.865 assign ( resid 2135 and name HB3 ) ( resid 2056 and name HD3 or resid 2062 and name HA or resid 2073 and name HA or resid 2074 and name HA or resid 2080 and name HD3 or resid 2082 and name HB3 or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HB or resid 2096 and name HB2 or resid 2102 and name HA or resid 2115 and name HD3 or resid 2116 and name HD2 or resid 2130 and name HA or resid 2135 and name HA ) 2.7 0.9 0.9 volume=0.484 peak=386 ppm1=1.643 ppm2=3.966 assign ( resid 2068 and name HB# ) ( resid 2068 and name H or resid 2070 and name H or resid 2102 and name H or resid 2105 and name H or resid 2113 and name H or resid 2132 and name H or resid 2133 and name H ) 1.8 0.4 0.4 volume=4.496 peak=17 ppm1=1.661 ppm2=8.572 assign ( resid 2135 and name HB3 ) ( resid 2058 and name H or resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2130 and name H or resid 2131 and name H or resid 2135 and name H ) 2.7 0.9 0.9 volume=0.425 peak=382 ppm1=1.641 ppm2=7.903 assign ( resid 2062 and name HG2# ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD1# or resid 2063 and name HD2# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 1.8 0.4 0.4 volume=6.198 peak=212 ppm1=1.204 ppm2=0.856 assign ( resid 2059 and name HB3 ) ( resid 2059 and name HG2 or resid 2089 and name HB3 or resid 2091 and name HB3 or resid 2091 and name HB2 or resid 2109 and name HB2 or resid 2131 and name HB2 ) 2.9 1.0 1.0 volume=0.309 peak=127 ppm1=2.585 ppm2=2.847 assign ( resid 2059 and name HB2 ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD1# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 2.5 0.8 0.8 volume=0.712 peak=129 ppm1=1.835 ppm2=0.866 assign ( resid 2094 and name HD1# ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2123 and name HD2 or resid 2134 and name HA ) 2.3 0.7 0.7 volume=1.080 peak=561 ppm1=0.750 ppm2=3.698 assign ( resid 2066 and name HB3 ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2056 and name HB2 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2063 and name HB3 or resid 2066 and name HB2 or resid 2080 and name HG2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2106 and name HB3 or resid 2123 and name HG3 or resid 2125 and name HB3 or resid 2128 and name HB2 ) 2.0 0.5 0.5 volume=2.897 peak=1007 ppm1=1.790 ppm2=1.995 assign ( resid 2090 and name HA ) ( resid 2048 and name HE1 or resid 2052 and name HD22 or resid 2092 and name H or resid 2103 and name H or resid 2104 and name HD22 or resid 2108 and name HE1 ) 3.1 1.2 1.2 volume=0.218 peak=404 ppm1=4.321 ppm2=7.820 assign ( resid 2130 and name HG2 ) ( resid 2052 and name HD21 or resid 2060 and name HE22 or resid 2108 and name HD2 or resid 2130 and name HE21 or resid 2130 and name HE22 or resid 2140 and name HD2 ) 2.6 0.8 0.8 volume=0.643 peak=195 ppm1=2.158 ppm2=7.054 assign ( resid 2121 and name HB3 ) ( resid 2060 and name HE21 or resid 2117 and name H or resid 2122 and name HD2 ) 2.8 1.0 1.0 volume=0.358 peak=96 ppm1=1.904 ppm2=6.801 assign ( resid 2050 and name HD3 or resid 2050 and name HD2 ) ( resid 2050 and name HB3 or resid 2060 and name HB2 or resid 2060 and name HG2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2115 and name HG3 or resid 2121 and name HB3 or resid 2123 and name HG3 or resid 2125 and name HG2 ) 2.2 0.6 0.6 volume=1.785 peak=325 ppm1=3.222 ppm2=1.936 assign ( resid 2050 and name HB2 ) ( resid 2050 and name HB3 or resid 2060 and name HG2 or resid 2103 and name HG3 or resid 2115 and name HG3 or resid 2121 and name HB3 or resid 2125 and name HG2 ) 1.8 0.4 0.4 volume=5.516 peak=318 ppm1=1.835 ppm2=1.930 assign ( resid 2072 and name HA or resid 2099 and name HA ) ( resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2066 and name HG or resid 2069 and name HB# or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 2.8 1.0 1.0 volume=0.361 peak=26 ppm1=3.705 ppm2=1.585 assign ( resid 2092 and name HD1# ) ( resid 2050 and name HG2 or resid 2051 and name HB3 or resid 2083 and name HG13 or resid 2092 and name HG or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2118 and name HB2 or resid 2127 and name HB# or resid 2135 and name HB2 ) 1.9 0.5 0.5 volume=3.757 peak=980 ppm1=0.785 ppm2=1.705 assign ( resid 2060 and name HB2 ) ( resid 2060 and name HA or resid 2067 and name HA or resid 2129 and name HB or resid 2132 and name HA ) 2.3 0.7 0.7 volume=1.128 peak=171 ppm1=1.963 ppm2=3.534 assign ( resid 2080 and name HA ) ( resid 2053 and name HA2 or resid 2055 and name HB2 or resid 2057 and name HA or resid 2061 and name HA or resid 2069 and name HA or resid 2085 and name HD3 or resid 2098 and name HA or resid 2116 and name HA or resid 2118 and name HA or resid 2121 and name HA or resid 2128 and name HA ) 2.7 0.9 0.9 volume=0.444 peak=589 ppm1=4.264 ppm2=4.082 assign ( resid 2137 and name HG2# ) ( resid 2066 and name H or resid 2076 and name H or resid 2131 and name HE1 or resid 2133 and name HE1 or resid 2138 and name H ) 2.6 0.8 0.8 volume=0.634 peak=269 ppm1=0.998 ppm2=7.742 assign ( resid 2131 and name HB3 ) ( resid 2054 and name HD2# or resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 3.3 1.3 1.3 volume=0.144 peak=783 ppm1=2.530 ppm2=0.810 assign ( resid 2066 and name HB2 ) ( resid 2067 and name H ) 2.6 0.8 0.8 volume=0.603 peak=995 ppm1=1.980 ppm2=8.823 assign ( resid 2083 and name HG12 ) ( resid 2053 and name HA2 or resid 2055 and name HB2 or resid 2056 and name HD2 or resid 2065 and name HA or resid 2068 and name HA or resid 2083 and name HA or resid 2085 and name HD3 or resid 2087 and name HA or resid 2094 and name HA or resid 2096 and name HB3 or resid 2118 and name HA or resid 2121 and name HA ) 2.6 0.9 0.9 volume=0.529 peak=525 ppm1=1.460 ppm2=4.038 assign ( resid 2062 and name HA ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H or resid 2129 and name H ) 3.4 1.5 1.5 volume=0.112 peak=215 ppm1=3.984 ppm2=8.903 assign ( resid 2103 and name HD3 ) ( resid 2072 and name HB# or resid 2075 and name HB3 or resid 2094 and name HG12 or resid 2098 and name HG2# or resid 2103 and name HG2 or resid 2112 and name HG or resid 2114 and name HB3 ) 2.6 0.9 0.9 volume=0.554 peak=356 ppm1=3.051 ppm2=1.409 assign ( resid 2134 and name HB ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2134 and name HA ) 2.4 0.7 0.7 volume=0.919 peak=294 ppm1=4.253 ppm2=3.709 assign ( resid 2092 and name HG ) ( resid 2061 and name HE21 or resid 2093 and name H or resid 2120 and name H ) 3.5 1.5 1.5 volume=0.098 peak=977 ppm1=1.707 ppm2=7.514 assign ( resid 2105 and name HA or resid 2125 and name HA ) ( resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.8 1.0 1.0 volume=0.397 peak=282 ppm1=4.123 ppm2=0.794 assign ( resid 2125 and name HD2 ) ( resid 2083 and name H or resid 2086 and name H or resid 2089 and name HE# or resid 2094 and name H or resid 2137 and name H or resid 2138 and name HE21 ) 3.4 1.5 1.5 volume=0.112 peak=715 ppm1=2.562 ppm2=7.624 assign ( resid 2053 and name HA2 ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2066 and name HD2# or resid 2075 and name HD2# or resid 2102 and name HD1# or resid 2106 and name HD1# or resid 2132 and name HD2# or resid 2136 and name HD1# ) 3.2 1.3 1.3 volume=0.163 peak=55 ppm1=4.071 ppm2=0.839 assign ( resid 2130 and name HA ) ( resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2130 and name H or resid 2131 and name H or resid 2135 and name H ) 2.3 0.7 0.7 volume=1.155 peak=183 ppm1=3.996 ppm2=7.895 assign ( resid 2132 and name HA ) ( resid 2068 and name H or resid 2070 and name H or resid 2102 and name H or resid 2113 and name H or resid 2132 and name H ) 2.6 0.8 0.8 volume=0.582 peak=798 ppm1=3.560 ppm2=8.598 assign ( resid 2094 and name HB ) ( resid 2083 and name H or resid 2086 and name H or resid 2087 and name H or resid 2094 and name H or resid 2137 and name H or resid 2138 and name HE21 ) 2.2 0.6 0.6 volume=1.595 peak=518 ppm1=1.728 ppm2=7.587 assign ( resid 2059 and name HA ) ( resid 2062 and name HB or resid 2064 and name HA or resid 2066 and name HA or resid 2080 and name HA or resid 2085 and name HA or resid 2098 and name HB or resid 2117 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 2.8 1.0 1.0 volume=0.403 peak=112 ppm1=3.822 ppm2=4.239 assign ( resid 2054 and name HB2 ) ( resid 2047 and name HB2 or resid 2047 and name HB3 or resid 2053 and name HA3 or resid 2059 and name HA or resid 2085 and name HD2 or resid 2111 and name HA2 or resid 2119 and name HA or resid 2133 and name HA ) 3.4 1.4 1.4 volume=0.121 peak=1046 ppm1=1.559 ppm2=3.835 assign ( resid 2120 and name HB3 ) ( resid 2062 and name HG2# or resid 2079 and name HG2# or resid 2114 and name HD1# or resid 2117 and name HG2# or resid 2132 and name HB3 or resid 2134 and name HG2# or resid 2135 and name HG3 or resid 2135 and name HG2 ) 3.1 1.2 1.2 volume=0.207 peak=1087 ppm1=3.214 ppm2=1.200 assign ( resid 2063 and name HD1# ) ( resid 2047 and name HB2 or resid 2047 and name HB3 or resid 2053 and name HA3 or resid 2059 and name HA or resid 2082 and name HB2 or resid 2085 and name HD2 or resid 2119 and name HA or resid 2133 and name HA or resid 2139 and name HB2 or resid 2139 and name HB3 ) 2.0 0.5 0.5 volume=2.674 peak=1031 ppm1=0.877 ppm2=3.849 assign ( resid 2096 and name HA ) ( resid 2099 and name H ) 3.1 1.2 1.2 volume=0.215 peak=311 ppm1=4.179 ppm2=8.996 assign ( resid 2100 and name HA ) ( resid 2068 and name H or resid 2070 and name H or resid 2102 and name H or resid 2113 and name H or resid 2132 and name H ) 3.3 1.4 1.4 volume=0.136 peak=933 ppm1=4.149 ppm2=8.591 assign ( resid 2066 and name HD2# ) ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HG or resid 2066 and name HG or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2119 and name HB or resid 2128 and name HG or resid 2135 and name HB3 ) 1.9 0.5 0.5 volume=3.532 peak=1014 ppm1=0.882 ppm2=1.616 assign ( resid 2074 and name HA ) ( resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.9 1.0 1.0 volume=0.324 peak=456 ppm1=4.002 ppm2=0.787 assign ( resid 2118 and name HB3 ) ( resid 2067 and name HG2# or resid 2067 and name HG1# or resid 2106 and name HB2 or resid 2112 and name HB2 or resid 2118 and name HD2# or resid 2119 and name HG12 or resid 2129 and name HG2# ) 2.5 0.8 0.8 volume=0.804 peak=1063 ppm1=2.054 ppm2=1.097 assign ( resid 2051 and name HB2 or resid 2075 and name HB2 or resid 2092 and name HB3 ) ( resid 2089 and name HD# or resid 2120 and name HZ ) 3.3 1.3 1.3 volume=0.147 peak=964 ppm1=1.613 ppm2=7.143 assign ( resid 2054 and name HA ) ( resid 2054 and name HB3 or resid 2100 and name HB2 or resid 2100 and name HB3 or resid 2102 and name HB2 or resid 2121 and name HB3 ) 2.7 0.9 0.9 volume=0.484 peak=1039 ppm1=4.674 ppm2=1.874 assign ( resid 2051 and name HB3 ) ( resid 2050 and name H or resid 2051 and name H or resid 2079 and name H ) 3.4 1.5 1.5 volume=0.112 peak=566 ppm1=1.733 ppm2=8.746 assign ( resid 2135 and name HB3 ) ( resid 2060 and name HA or resid 2067 and name HA or resid 2129 and name HB or resid 2132 and name HA ) 2.9 1.1 1.1 volume=0.276 peak=388 ppm1=1.636 ppm2=3.560 assign ( resid 2128 and name HA ) ( resid 2102 and name H or resid 2113 and name H or resid 2132 and name H ) 3.2 1.3 1.3 volume=0.167 peak=851 ppm1=4.085 ppm2=8.604 assign ( resid 2119 and name HD1# ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2123 and name HD2 or resid 2134 and name HA ) 2.4 0.7 0.7 volume=0.848 peak=499 ppm1=0.211 ppm2=3.704 assign ( resid 2127 and name HB# ) ( resid 2059 and name HG3 or resid 2116 and name HB3 or resid 2121 and name HB2 or resid 2122 and name HB2 or resid 2123 and name HB2 ) 2.4 0.7 0.7 volume=0.953 peak=53 ppm1=1.717 ppm2=2.360 assign ( resid 2059 and name HG3 ) ( resid 2050 and name HB2 or resid 2054 and name HB3 or resid 2059 and name HB2 or resid 2063 and name HG or resid 2100 and name HB2 or resid 2100 and name HB3 or resid 2102 and name HB2 or resid 2106 and name HG ) 2.7 0.9 0.9 volume=0.502 peak=145 ppm1=2.346 ppm2=1.855 assign ( resid 2094 and name HG2# ) ( resid 2071 and name HG2# or resid 2073 and name HG2# or resid 2079 and name HG2# or resid 2099 and name HB# or resid 2110 and name HG2# or resid 2114 and name HD1# or resid 2134 and name HG2# ) 1.9 0.5 0.5 volume=3.554 peak=556 ppm1=0.713 ppm2=1.255 assign ( resid 2123 and name HB3 ) ( resid 2049 and name HB3 or resid 2058 and name HB2 or resid 2080 and name HB3 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG3 or resid 2097 and name HB2 or resid 2103 and name HB3 or resid 2116 and name HB2 or resid 2118 and name HB3 or resid 2123 and name HG2 or resid 2130 and name HB3 or resid 2132 and name HB2 or resid 2138 and name HB2 ) 2.4 0.7 0.7 volume=0.842 peak=652 ppm1=2.407 ppm2=2.070 assign ( resid 2133 and name HA ) ( resid 2057 and name H or resid 2068 and name H or resid 2070 and name H or resid 2105 and name H or resid 2113 and name H or resid 2133 and name H ) 2.6 0.8 0.8 volume=0.652 peak=461 ppm1=3.862 ppm2=8.554 assign ( resid 2091 and name HB3 or resid 2091 and name HB2 ) ( resid 2048 and name HE1 or resid 2052 and name HD22 or resid 2092 and name H or resid 2103 and name H or resid 2104 and name HD22 or resid 2108 and name HE1 ) 2.9 1.1 1.1 volume=0.278 peak=75 ppm1=2.835 ppm2=7.819 assign ( resid 2097 and name HD2# ) ( resid 2049 and name H or resid 2052 and name H or resid 2065 and name H or resid 2097 and name H or resid 2106 and name H or resid 2134 and name H or resid 2139 and name H ) 2.7 0.9 0.9 volume=0.494 peak=944 ppm1=1.009 ppm2=8.287 assign ( resid 2100 and name HA ) ( resid 2056 and name HG3 or resid 2057 and name HB3 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2061 and name HB2 or resid 2080 and name HG3 or resid 2080 and name HB2 or resid 2092 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB2 or resid 2116 and name HG2 or resid 2116 and name HB2 or resid 2116 and name HG3 or resid 2130 and name HB2 or resid 2132 and name HG or resid 2138 and name HB3 ) 2.6 0.8 0.8 volume=0.629 peak=924 ppm1=4.151 ppm2=2.126 assign ( resid 2119 and name HG13 ) ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2066 and name HG or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 2.5 0.8 0.8 volume=0.764 peak=491 ppm1=0.731 ppm2=1.601 assign ( resid 2120 and name HE# ) ( resid 2083 and name HD1# or resid 2094 and name HG2# or resid 2094 and name HD1# or resid 2112 and name HD1# or resid 2119 and name HG13 ) 3.3 1.4 1.4 volume=0.130 peak=1099 ppm1=7.298 ppm2=0.723 assign ( resid 2059 and name HA ) ( resid 2059 and name H ) 2.7 0.9 0.9 volume=0.454 peak=108 ppm1=3.833 ppm2=9.120 assign ( resid 2127 and name HA ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H or resid 2129 and name H ) 2.8 1.0 1.0 volume=0.359 peak=45 ppm1=4.154 ppm2=8.897 ) ) 1.7 0.4 0.4 volume=7.041 peak=5 ppm1=0.856 ppm2=1.616 assign ( resid 2060 and name HA ) ( resid 2050 and name HB2 or resid 2059 and name HB2 or resid 2063 and name HG or resid 2100 and name HG or resid 2102 and name HB2 or resid 2106 and name HG ) 3.0 1.1 1.1 volume=0.244 peak=165 ppm1=3.538 ppm2=1.833 assign ( resid 2128 and name HG ) ( resid 2048 and name HD2 or resid 2089 and name HZ or resid 2126 and name HD2 or resid 2138 and name HE22 ) 3.2 1.3 1.3 volume=0.172 peak=867 ppm1=1.647 ppm2=6.922 assign ( resid 2064 and name HB# ) ( resid 2060 and name HA or resid 2067 and name HA or resid 2129 and name HB or resid 2132 and name HA ) 2.6 0.9 0.9 volume=0.530 peak=1129 ppm1=1.569 ppm2=3.537 assign ( resid 2117 and name HA ) ( resid 2060 and name HE21 or resid 2117 and name H or resid 2122 and name HD2 ) 2.6 0.8 0.8 volume=0.580 peak=251 ppm1=4.261 ppm2=6.820 assign ( resid 2134 and name HA ) ( resid 2049 and name HG2 or resid 2058 and name HB3 or resid 2061 and name HG2 or resid 2085 and name HB3 or resid 2101 and name HG2 or resid 2115 and name HB2 or resid 2123 and name HB3 or resid 2138 and name HG3 or resid 2138 and name HG2 ) 3.0 1.2 1.2 volume=0.227 peak=296 ppm1=3.706 ppm2=2.425 assign ( resid 2118 and name HB3 ) ( resid 2092 and name HD2# or resid 2097 and name HD1# or resid 2114 and name HD2# or resid 2118 and name HD1# ) 2.4 0.7 0.7 volume=0.835 peak=1064 ppm1=2.053 ppm2=0.918 assign ( resid 2128 and name HB3 ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2097 and name HD2# or resid 2100 and name HD2# or resid 2100 and name HD1# or resid 2124 and name HG2# or resid 2128 and name HD2# or resid 2128 and name HD1# or resid 2137 and name HG2# ) 2.4 0.7 0.7 volume=0.995 peak=863 ppm1=2.243 ppm2=1.029 assign ( resid 2100 and name HB2 or resid 2100 and name HB3 ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2097 and name HD2# or resid 2100 and name HD2# or resid 2100 and name HD1# or resid 2124 and name HG2# or resid 2128 and name HD2# or resid 2128 and name HD1# or resid 2137 and name HG2# ) 2.0 0.5 0.5 volume=2.715 peak=935 ppm1=1.889 ppm2=1.027 assign ( resid 2126 and name HB3 ) ( resid 2063 and name HB2 or resid 2065 and name HG2# or resid 2086 and name HB# or resid 2087 and name HG2# or resid 2102 and name HG or resid 2105 and name HG2# or resid 2107 and name HG2# or resid 2125 and name HG3 ) 3.3 1.4 1.4 volume=0.134 peak=789 ppm1=2.942 ppm2=1.336 assign ( resid 2117 and name HG2# ) ( resid 2089 and name HD# or resid 2091 and name H or resid 2120 and name HD# ) 2.6 0.8 0.8 volume=0.648 peak=255 ppm1=1.200 ppm2=7.181 assign ( resid 2132 and name HB3 ) ( resid 2060 and name HA or resid 2067 and name HA or resid 2129 and name HB or resid 2132 and name HA ) 2.6 0.8 0.8 volume=0.642 peak=806 ppm1=1.212 ppm2=3.558 assign ( resid 2125 and name HG3 ) ( resid 2052 and name HA or resid 2055 and name HB3 or resid 2082 and name HA or resid 2086 and name HA or resid 2088 and name HA or resid 2093 and name HA2 or resid 2097 and name HA or resid 2124 and name HA or resid 2124 and name HB or resid 2139 and name HA or resid 2140 and name HA ) 3.1 1.2 1.2 volume=0.222 peak=704 ppm1=1.347 ppm2=4.449 assign ( resid 2056 and name HG2 ) ( resid 2049 and name HG3 or resid 2056 and name HB3 or resid 2058 and name HG2 or resid 2058 and name HG3 or resid 2061 and name HG3 or resid 2131 and name HB3 ) 2.4 0.7 0.7 volume=1.022 peak=581 ppm1=2.293 ppm2=2.504 assign ( resid 2098 and name HB ) ( resid 2057 and name HB3 or resid 2058 and name HB2 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2080 and name HB3 or resid 2092 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB3 or resid 2116 and name HB2 or resid 2132 and name HG or resid 2138 and name HB2 or resid 2138 and name HB3 ) 2.7 0.9 0.9 volume=0.463 peak=242 ppm1=4.212 ppm2=2.106 assign ( resid 2118 and name HA ) ( resid 2060 and name HE21 or resid 2117 and name H or resid 2122 and name HD2 ) 2.6 0.9 0.9 volume=0.530 peak=1054 ppm1=4.069 ppm2=6.803 assign ( resid 2102 and name HD1# ) ( resid 2070 and name HB# or resid 2083 and name HG12 or resid 2094 and name HG12 or resid 2094 and name HG13 or resid 2102 and name HB3 ) 1.7 0.4 0.4 volume=6.430 peak=888 ppm1=0.807 ppm2=1.451 assign ( resid 2063 and name HG or resid 2100 and name HG or resid 2106 and name HG ) ( resid 2104 and name HD21 ) 2.8 1.0 1.0 volume=0.374 peak=884 ppm1=1.811 ppm2=6.967 assign ( resid 2050 and name HA ) ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HG or resid 2066 and name HG or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HG or resid 2119 and name HB or resid 2128 and name HG or resid 2135 and name HB3 ) 2.3 0.6 0.6 volume=1.294 peak=316 ppm1=4.490 ppm2=1.622 assign ( resid 2053 and name HA3 ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2066 and name HD2# or resid 2075 and name HD2# or resid 2102 and name HD1# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 3.3 1.4 1.4 volume=0.132 peak=56 ppm1=3.845 ppm2=0.834 assign ( resid 2117 and name HA ) ( resid 2062 and name HG2# or resid 2079 and name HG2# or resid 2114 and name HD1# or resid 2117 and name HG2# or resid 2132 and name HB3 or resid 2134 and name HG2# or resid 2135 and name HG3 or resid 2135 and name HG2 ) 2.0 0.5 0.5 volume=2.774 peak=261 ppm1=4.261 ppm2=1.200 assign ( resid 2135 and name HB2 ) ( resid 2062 and name HB or resid 2064 and name HA or resid 2066 and name HA or resid 2080 and name HA or resid 2085 and name HA or resid 2098 and name HB or resid 2117 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 3.3 1.4 1.4 volume=0.133 peak=384 ppm1=1.682 ppm2=4.242 assign ( resid 2112 and name HD2# ) ( resid 2048 and name HB3 or resid 2048 and name HB2 or resid 2078 and name HB2 or resid 2090 and name HE2 or resid 2090 and name HE3 or resid 2103 and name HD3 or resid 2104 and name HB2 or resid 2135 and name HD3 or resid 2140 and name HB3 ) 2.8 1.0 1.0 volume=0.361 peak=877 ppm1=0.673 ppm2=3.070 assign ( resid 2066 and name HB3 ) ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HG or resid 2066 and name HG or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2119 and name HB or resid 2135 and name HB3 or resid 2136 and name HB2 ) 2.4 0.7 0.7 volume=0.871 peak=1008 ppm1=1.789 ppm2=1.610 assign ( resid 2097 and name HB2 or resid 2132 and name HB2 ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2097 and name HD2# or resid 2100 and name HD2# or resid 2100 and name HD1# or resid 2124 and name HG2# or resid 2128 and name HD1# or resid 2137 and name HG2# ) 2.1 0.5 0.5 volume=2.384 peak=812 ppm1=2.039 ppm2=1.010 assign ( resid 2059 and name HG2 ) ( resid 2050 and name HB2 or resid 2054 and name HB3 or resid 2059 and name HB2 or resid 2063 and name HG or resid 2100 and name HG or resid 2102 and name HB2 or resid 2106 and name HG ) 2.7 0.9 0.9 volume=0.506 peak=140 ppm1=2.846 ppm2=1.852 assign ( resid 2137 and name HA ) ( resid 2062 and name HB or resid 2064 and name HA or resid 2066 and name HA or resid 2080 and name HA or resid 2085 and name HA or resid 2098 and name HB or resid 2117 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 2.1 0.6 0.6 volume=1.922 peak=271 ppm1=4.381 ppm2=4.245 assign ( resid 2132 and name HA ) ( resid 2050 and name HG3 or resid 2068 and name HB# or resid 2083 and name HG13 or resid 2128 and name HG or resid 2135 and name HB3 or resid 2135 and name HB2 ) 2.6 0.9 0.9 volume=0.523 peak=803 ppm1=3.560 ppm2=1.651 assign ( resid 2102 and name HA ) ( resid 2063 and name HB2 or resid 2065 and name HG2# or resid 2086 and name HB# or resid 2102 and name HG or resid 2105 and name HG2# or resid 2107 and name HG2# ) 2.5 0.8 0.8 volume=0.808 peak=896 ppm1=3.977 ppm2=1.311 assign ( resid 2051 and name HB2 or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2136 and name HB2 ) ( resid 2057 and name HB3 or resid 2058 and name HB2 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2080 and name HG3 or resid 2080 and name HB3 or resid 2092 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB2 or resid 2103 and name HB3 or resid 2116 and name HG2 or resid 2116 and name HB2 or resid 2116 and name HG3 or resid 2130 and name HB2 or resid 2132 and name HG or resid 2138 and name HB3 ) 2.3 0.7 0.7 volume=1.225 peak=969 ppm1=1.611 ppm2=2.118 assign ( resid 2092 and name HA ) ( resid 2056 and name HG3 or resid 2057 and name HB3 or resid 2058 and name HB2 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2080 and name HG3 or resid 2080 and name HB2 or resid 2080 and name HB3 or resid 2092 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB2 or resid 2103 and name HB3 or resid 2116 and name HG2 or resid 2116 and name HB2 or resid 2116 and name HG3 or resid 2130 and name HB2 or resid 2132 and name HG or resid 2138 and name HB3 ) 2.4 0.7 0.7 volume=0.973 peak=956 ppm1=4.381 ppm2=2.120 assign ( resid 2140 and name HB3 ) ( resid 2095 and name H or resid 2110 and name H or resid 2140 and name HE1 or resid 2140 and name H ) 2.7 0.9 0.9 volume=0.471 peak=739 ppm1=3.070 ppm2=8.048 assign ( resid 2131 and name HB2 ) ( resid 2102 and name H or resid 2113 and name H or resid 2132 and name H ) 2.8 1.0 1.0 volume=0.374 peak=772 ppm1=2.854 ppm2=8.605 assign ( resid 2102 and name HD2# ) ( resid 2089 and name HD# or resid 2091 and name H or resid 2120 and name HZ or resid 2120 and name HD# ) 2.7 0.9 0.9 volume=0.423 peak=917 ppm1=0.490 ppm2=7.158 assign ( resid 2125 and name HD3 ) ( resid 2083 and name H or resid 2086 and name H or resid 2087 and name H or resid 2094 and name H or resid 2137 and name H or resid 2138 and name HE21 ) 3.2 1.3 1.3 volume=0.159 peak=695 ppm1=3.772 ppm2=7.597 assign ( resid 2099 and name HA ) ( resid 2099 and name H ) 2.4 0.7 0.7 volume=0.844 peak=31 ppm1=3.701 ppm2=8.998 assign ( resid 2100 and name HB2 or resid 2100 and name HB3 ) ( resid 2057 and name HB3 or resid 2058 and name HB2 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2080 and name HB3 or resid 2092 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB3 or resid 2116 and name HB2 or resid 2132 and name HG or resid 2138 and name HB3 ) 2.8 1.0 1.0 volume=0.359 peak=937 ppm1=1.890 ppm2=2.108 assign ( resid 2063 and name HG ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H or resid 2129 and name H ) 3.0 1.2 1.2 volume=0.230 peak=886 ppm1=1.822 ppm2=8.901 assign ( resid 2062 and name HB ) ( resid 2056 and name HD2 or resid 2056 and name HD3 or resid 2062 and name HA or resid 2065 and name HA or resid 2074 and name HA or resid 2082 and name HB3 or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HA or resid 2087 and name HB or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2102 and name HA or resid 2115 and name HD3 or resid 2130 and name HA or resid 2135 and name HA ) 2.4 0.7 0.7 volume=1.058 peak=225 ppm1=4.265 ppm2=3.984 assign ( resid 2117 and name HA ) ( resid 2049 and name HB3 or resid 2058 and name HB2 or resid 2080 and name HB3 or resid 2085 and name HG3 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB3 or resid 2116 and name HB2 or resid 2118 and name HB3 or resid 2123 and name HG2 or resid 2132 and name HB2 or resid 2132 and name HG or resid 2138 and name HB2 ) 3.0 1.1 1.1 volume=0.234 peak=262 ppm1=4.261 ppm2=2.084 assign ( resid 2116 and name HB3 ) ( resid 2060 and name HE21 or resid 2117 and name H or resid 2122 and name HD2 ) 3.2 1.3 1.3 volume=0.160 peak=728 ppm1=2.359 ppm2=6.823 assign ( resid 2120 and name HZ ) ( resid 2058 and name HA or resid 2064 and name HA or resid 2070 and name HA or resid 2089 and name HA or resid 2096 and name HA or resid 2098 and name HB or resid 2106 and name HA or resid 2107 and name HA or resid 2110 and name HB or resid 2127 and name HA ) 3.0 1.1 1.1 volume=0.235 peak=1092 ppm1=7.137 ppm2=4.180 assign ( resid 2059 and name HA ) ( resid 2059 and name HG2 or resid 2089 and name HB3 or resid 2091 and name HB3 or resid 2091 and name HB2 or resid 2109 and name HB2 or resid 2131 and name HB2 ) 2.7 0.9 0.9 volume=0.422 peak=113 ppm1=3.835 ppm2=2.840 assign ( resid 2119 and name HG2# ) ( resid 2083 and name HD1# or resid 2094 and name HG2# or resid 2094 and name HD1# or resid 2112 and name HD1# or resid 2119 and name HG13 ) 1.9 0.4 0.4 volume=4.005 peak=1140 ppm1=0.288 ppm2=0.738 assign ( resid 2103 and name HG2 ) ( resid 2052 and name HD22 or resid 2066 and name H or resid 2076 and name H or resid 2092 and name H or resid 2103 and name H ) 3.1 1.2 1.2 volume=0.194 peak=359 ppm1=1.403 ppm2=7.786 assign ( resid 2092 and name HG ) ( resid 2048 and name HE1 or resid 2052 and name HD22 or resid 2092 and name H or resid 2103 and name H or resid 2104 and name HD22 or resid 2108 and name HE1 ) 2.6 0.8 0.8 volume=0.590 peak=962 ppm1=1.709 ppm2=7.820 assign ( resid 2125 and name HB2 ) ( resid 2076 and name HA2 or resid 2093 and name HA3 or resid 2125 and name HD3 ) 3.3 1.3 1.3 volume=0.151 peak=690 ppm1=2.295 ppm2=3.761 assign ( resid 2103 and name HB2 ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2123 and name HD2 or resid 2134 and name HA ) 2.8 1.0 1.0 volume=0.349 peak=203 ppm1=2.164 ppm2=3.702 assign ( resid 2131 and name HB2 ) ( resid 2054 and name HD2# or resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 3.3 1.3 1.3 volume=0.151 peak=782 ppm1=2.852 ppm2=0.806 assign ( resid 2125 and name HA ) ( resid 2113 and name HB3 or resid 2125 and name HD2 or resid 2131 and name HB3 ) 3.3 1.4 1.4 volume=0.136 peak=676 ppm1=4.119 ppm2=2.552 assign ( resid 2108 and name HB3 ) ( resid 2056 and name HA or resid 2079 and name HB or resid 2092 and name HA or resid 2104 and name HA or resid 2108 and name HA or resid 2120 and name HA or resid 2129 and name HA or resid 2137 and name HA or resid 2138 and name HA ) 2.3 0.7 0.7 volume=1.271 peak=795 ppm1=3.344 ppm2=4.385 assign ( resid 2080 and name HB3 or resid 2116 and name HB2 ) ( resid 2056 and name HD3 or resid 2073 and name HA or resid 2080 and name HD3 or resid 2116 and name HD2 or resid 2135 and name HA ) 2.6 0.8 0.8 volume=0.604 peak=592 ppm1=2.089 ppm2=3.940 assign ( resid 2130 and name HA ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2049 and name HB3 or resid 2056 and name HB2 or resid 2080 and name HG2 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG3 or resid 2085 and name HG2 or resid 2097 and name HB2 or resid 2115 and name HB3 or resid 2118 and name HB3 or resid 2123 and name HG2 or resid 2125 and name HB3 or resid 2128 and name HB2 or resid 2130 and name HB3 or resid 2132 and name HB2 or resid 2138 and name HB2 ) 2.3 0.7 0.7 volume=1.163 peak=188 ppm1=3.996 ppm2=2.041 assign ( resid 2090 and name HA ) ( resid 2059 and name HG2 or resid 2089 and name HB3 or resid 2091 and name HB3 or resid 2091 and name HB2 or resid 2109 and name HB2 or resid 2131 and name HB2 ) 3.1 1.2 1.2 volume=0.209 peak=409 ppm1=4.317 ppm2=2.835 assign ( resid 2097 and name HG ) ( resid 2092 and name HD2# or resid 2097 and name HD1# or resid 2114 and name HD2# or resid 2118 and name HD1# or resid 2136 and name HD2# ) 1.9 0.5 0.5 volume=3.306 peak=950 ppm1=1.734 ppm2=0.935 assign ( resid 2102 and name HA ) ( resid 2068 and name H or resid 2070 and name H or resid 2102 and name H or resid 2105 and name H or resid 2113 and name H or resid 2132 and name H or resid 2133 and name H ) 2.4 0.7 0.7 volume=0.878 peak=186 ppm1=3.984 ppm2=8.578 assign ( resid 2125 and name HD2 ) ( resid 2076 and name HA2 or resid 2093 and name HA3 or resid 2125 and name HD3 ) 2.5 0.8 0.8 volume=0.799 peak=717 ppm1=2.559 ppm2=3.763 assign ( resid 2125 and name HD2 ) ( resid 2054 and name HB2 or resid 2064 and name HB# or resid 2069 and name HB# or resid 2088 and name HB# or resid 2090 and name HG2 or resid 2118 and name HG or resid 2136 and name HB2 ) 3.6 1.7 1.7 volume=0.077 peak=722 ppm1=2.562 ppm2=1.542 assign ( resid 2125 and name HD2 ) ( resid 2055 and name H or resid 2081 and name H or resid 2126 and name H ) 3.4 1.4 1.4 volume=0.122 peak=714 ppm1=2.560 ppm2=9.070 assign ( resid 2083 and name HG2# ) ( resid 2068 and name HB# or resid 2083 and name HG13 or resid 2092 and name HG or resid 2128 and name HG or resid 2135 and name HB2 ) 2.0 0.5 0.5 volume=3.254 peak=530 ppm1=0.793 ppm2=1.679 assign ( resid 2122 and name HB2 ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H ) 3.3 1.4 1.4 volume=0.142 peak=1102 ppm1=2.367 ppm2=8.894 assign ( resid 2049 and name HA ) ( resid 2049 and name H or resid 2052 and name H or resid 2065 and name H or resid 2097 and name H or resid 2106 and name H or resid 2134 and name H or resid 2139 and name H ) 2.8 1.0 1.0 volume=0.366 peak=430 ppm1=4.335 ppm2=8.288 assign ( resid 2055 and name HB2 ) ( resid 2049 and name HG3 or resid 2056 and name HB3 or resid 2057 and name HG3 or resid 2057 and name HG2 or resid 2058 and name HG2 or resid 2058 and name HG3 or resid 2058 and name HB3 or resid 2061 and name HG2 or resid 2115 and name HB2 ) 3.1 1.2 1.2 volume=0.197 peak=306 ppm1=4.044 ppm2=2.473 assign ( resid 2137 and name HB ) ( resid 2083 and name H or resid 2086 and name H or resid 2087 and name H or resid 2094 and name H or resid 2137 and name H or resid 2138 and name HE21 ) 2.6 0.8 0.8 volume=0.580 peak=266 ppm1=4.245 ppm2=7.589 assign ( resid 2125 and name HB3 ) ( resid 2055 and name H or resid 2081 and name H or resid 2126 and name H ) 3.0 1.2 1.2 volume=0.223 peak=688 ppm1=2.036 ppm2=9.074 assign ( resid 2123 and name HD2 ) ( resid 2122 and name HA ) 2.8 1.0 1.0 volume=0.385 peak=665 ppm1=3.668 ppm2=5.008 assign ( resid 2065 and name HB ) ( resid 2056 and name HD2 or resid 2062 and name HA or resid 2065 and name HA or resid 2074 and name HA or resid 2082 and name HB3 or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HA or resid 2087 and name HB or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2102 and name HA or resid 2115 and name HD3 or resid 2130 and name HA or resid 2135 and name HA ) 2.1 0.6 0.6 volume=2.078 peak=230 ppm1=4.338 ppm2=3.993 assign ( resid 2054 and name HB2 ) ( resid 2059 and name HG2 or resid 2089 and name HB3 or resid 2091 and name HB3 or resid 2091 and name HB2 or resid 2109 and name HB2 or resid 2131 and name HB2 ) 3.1 1.2 1.2 volume=0.208 peak=1034 ppm1=1.556 ppm2=2.845 assign ( resid 2099 and name HA ) ( resid 2119 and name HD1# ) 2.8 1.0 1.0 volume=0.346 peak=36 ppm1=3.702 ppm2=0.214 assign ( resid 2136 and name HD1# ) ( resid 2062 and name HB or resid 2064 and name HA or resid 2066 and name HA or resid 2080 and name HA or resid 2085 and name HA or resid 2098 and name HB or resid 2117 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 2.4 0.7 0.7 volume=1.013 peak=840 ppm1=0.876 ppm2=4.237 assign ( resid 2060 and name HB3 or resid 2080 and name HG3 or resid 2116 and name HG2 or resid 2116 and name HG3 ) ( resid 2054 and name HB2 or resid 2064 and name HB# or resid 2069 and name HB# or resid 2075 and name HB2 or resid 2088 and name HB# or resid 2090 and name HG2 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2118 and name HG or resid 2136 and name HB2 ) 2.7 0.9 0.9 volume=0.446 peak=1142 ppm1=2.143 ppm2=1.557 assign ( resid 2103 and name HG2 ) ( resid 2048 and name HB3 or resid 2090 and name HE2 or resid 2090 and name HE3 or resid 2103 and name HD3 or resid 2135 and name HD3 or resid 2140 and name HB3 ) 2.8 1.0 1.0 volume=0.399 peak=349 ppm1=1.406 ppm2=3.049 assign ( resid 2136 and name HD2# ) ( resid 2062 and name HB or resid 2064 and name HA or resid 2066 and name HA or resid 2080 and name HA or resid 2085 and name HA or resid 2098 and name HB or resid 2117 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 1.8 0.4 0.4 volume=4.506 peak=839 ppm1=0.969 ppm2=4.235 assign ( resid 2116 and name HD3 ) ( resid 2079 and name HA or resid 2114 and name HA or resid 2115 and name HA ) 2.8 1.0 1.0 volume=0.380 peak=734 ppm1=3.875 ppm2=4.943 assign ( resid 2066 and name HB2 ) ( resid 2061 and name HA or resid 2063 and name HA or resid 2076 and name HA3 or resid 2081 and name HA or resid 2098 and name HA or resid 2100 and name HA or resid 2101 and name HA or resid 2105 and name HA or resid 2111 and name HA3 or resid 2116 and name HA or resid 2125 and name HA or resid 2127 and name HA or resid 2128 and name HA ) 2.4 0.7 0.7 volume=0.854 peak=1002 ppm1=1.978 ppm2=4.121 assign ( resid 2103 and name HA ) ( resid 2050 and name HB2 or resid 2059 and name HB2 or resid 2063 and name HG or resid 2100 and name HG or resid 2102 and name HB2 or resid 2106 and name HG ) 3.0 1.1 1.1 volume=0.262 peak=336 ppm1=3.704 ppm2=1.837 assign ( resid 2054 and name HB3 ) ( resid 2047 and name HB2 or resid 2047 and name HB3 or resid 2053 and name HA3 or resid 2059 and name HA or resid 2082 and name HB2 or resid 2085 and name HD2 or resid 2119 and name HA or resid 2133 and name HA ) 3.2 1.3 1.3 volume=0.171 peak=1045 ppm1=1.874 ppm2=3.836 assign ( resid 2136 and name HA ) ( resid 2083 and name HD1# or resid 2094 and name HG2# or resid 2094 and name HD1# or resid 2112 and name HD1# or resid 2119 and name HG13 ) 2.8 1.0 1.0 volume=0.352 peak=1130 ppm1=4.239 ppm2=0.734 assign ( resid 2098 and name HA or resid 2116 and name HA ) ( resid 2057 and name HB3 or resid 2058 and name HB2 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2080 and name HB3 or resid 2092 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB3 or resid 2116 and name HB2 or resid 2132 and name HG or resid 2138 and name HB2 or resid 2138 and name HB3 ) 2.0 0.5 0.5 volume=3.180 peak=611 ppm1=4.093 ppm2=2.107 assign ( resid 2051 and name HG or resid 2054 and name HG or resid 2066 and name HG ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD1# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 1.6 0.3 0.3 volume=10.455 peak=1011 ppm1=1.622 ppm2=0.864 assign ( resid 2063 and name HB3 ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD1# or resid 2063 and name HD2# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 2.3 0.6 0.6 volume=1.337 peak=1028 ppm1=2.004 ppm2=0.858 assign ( resid 2059 and name HG3 ) ( resid 2059 and name HG2 or resid 2089 and name HB3 or resid 2091 and name HB3 or resid 2091 and name HB2 or resid 2109 and name HB2 or resid 2131 and name HB2 ) 2.5 0.8 0.8 volume=0.740 peak=143 ppm1=2.346 ppm2=2.849 assign ( resid 2119 and name HG2# ) ( resid 2089 and name HD# or resid 2091 and name H or resid 2120 and name HZ or resid 2120 and name HD# ) 2.3 0.7 0.7 volume=1.169 peak=474 ppm1=0.289 ppm2=7.158 assign ( resid 2120 and name HB2 ) ( resid 2050 and name HD3 or resid 2050 and name HD2 or resid 2103 and name HD2 or resid 2120 and name HB3 or resid 2140 and name HB2 ) 2.0 0.5 0.5 volume=3.063 peak=1085 ppm1=2.978 ppm2=3.213 assign ( resid 2132 and name HD1# ) ( resid 2058 and name H or resid 2063 and name H or resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2130 and name H or resid 2131 and name H or resid 2135 and name H ) 2.9 1.1 1.1 volume=0.277 peak=1133 ppm1=0.800 ppm2=7.910 assign ( resid 2094 and name HG12 ) ( resid 2058 and name HA or resid 2064 and name HA or resid 2070 and name HA or resid 2089 and name HA or resid 2096 and name HA or resid 2098 and name HB or resid 2106 and name HA or resid 2107 and name HA or resid 2110 and name HB or resid 2127 and name HA ) 3.0 1.2 1.2 volume=0.223 peak=544 ppm1=1.434 ppm2=4.186 assign ( resid 2059 and name HG2 ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD1# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 2.5 0.8 0.8 volume=0.759 peak=142 ppm1=2.847 ppm2=0.864 assign ( resid 2125 and name HB2 ) ( resid 2057 and name HA or resid 2061 and name HA or resid 2063 and name HA or resid 2076 and name HA3 or resid 2081 and name HA or resid 2098 and name HA or resid 2100 and name HA or resid 2101 and name HA or resid 2105 and name HA or resid 2111 and name HA3 or resid 2116 and name HA or resid 2125 and name HA or resid 2128 and name HA ) 2.5 0.8 0.8 volume=0.701 peak=684 ppm1=2.299 ppm2=4.114 assign ( resid 2123 and name HD2 ) ( resid 2050 and name HB3 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2060 and name HG2 or resid 2066 and name HB2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2106 and name HB3 or resid 2123 and name HG3 ) 2.5 0.8 0.8 volume=0.780 peak=673 ppm1=3.670 ppm2=1.969 assign ( resid 2091 and name HA ) ( resid 2091 and name H or resid 2120 and name HD# ) 2.3 0.6 0.6 volume=1.281 peak=70 ppm1=4.635 ppm2=7.194 assign ( resid 2059 and name HG3 ) ( resid 2059 and name H or resid 2107 and name H ) 3.0 1.1 1.1 volume=0.242 peak=206 ppm1=2.348 ppm2=9.134 assign ( resid 2106 and name HB2 ) ( resid 2049 and name HB2 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2060 and name HG2 or resid 2063 and name HB3 or resid 2066 and name HB2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2106 and name HB3 or resid 2123 and name HG3 or resid 2128 and name HB2 ) 2.4 0.7 0.7 volume=1.001 peak=881 ppm1=1.091 ppm2=1.977 assign ( resid 2056 and name HD2 ) ( resid 2056 and name HG2 or resid 2067 and name HB or resid 2081 and name HG2 or resid 2081 and name HG3 or resid 2101 and name HG3 or resid 2125 and name HB2 ) 2.6 0.9 0.9 volume=0.543 peak=584 ppm1=4.008 ppm2=2.290 assign ( resid 2134 and name HA ) ( resid 2049 and name H or resid 2097 and name H or resid 2106 and name H or resid 2109 and name H or resid 2111 and name H or resid 2134 and name H or resid 2139 and name H ) 2.5 0.8 0.8 volume=0.792 peak=293 ppm1=3.707 ppm2=8.268 assign ( resid 2098 and name HA ) ( resid 2068 and name H or resid 2070 and name H or resid 2102 and name H or resid 2113 and name H or resid 2132 and name H ) 2.9 1.1 1.1 volume=0.279 peak=240 ppm1=4.081 ppm2=8.594 assign ( resid 2117 and name HB ) ( resid 2062 and name HB or resid 2066 and name HA or resid 2080 and name HA or resid 2112 and name HA or resid 2117 and name HA or resid 2126 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 2.3 0.6 0.6 volume=1.317 peak=259 ppm1=4.825 ppm2=4.261 assign ( resid 2071 and name HA ) ( resid 2070 and name HB# or resid 2072 and name HB# or resid 2083 and name HG12 or resid 2094 and name HG12 or resid 2094 and name HG13 or resid 2098 and name HG2# or resid 2103 and name HG2 or resid 2112 and name HG or resid 2114 and name HB3 ) 2.8 1.0 1.0 volume=0.357 peak=278 ppm1=4.331 ppm2=1.428 assign ( resid 2135 and name HB2 ) ( resid 2062 and name HG2# or resid 2117 and name HG2# or resid 2132 and name HB3 or resid 2134 and name HG2# or resid 2135 and name HG3 or resid 2135 and name HG2 ) 2.4 0.7 0.7 volume=0.860 peak=391 ppm1=1.680 ppm2=1.187 assign ( resid 2062 and name HA ) ( resid 2062 and name HG2# or resid 2079 and name HG2# or resid 2114 and name HD1# or resid 2117 and name HG2# or resid 2132 and name HB3 or resid 2134 and name HG2# or resid 2135 and name HG3 or resid 2135 and name HG2 ) 2.1 0.5 0.5 volume=2.201 peak=219 ppm1=3.983 ppm2=1.207 assign ( resid 2133 and name HB2 ) ( resid 2058 and name H or resid 2063 and name H or resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2130 and name H or resid 2131 and name H or resid 2135 and name H ) 3.7 1.7 1.7 volume=0.068 peak=757 ppm1=2.977 ppm2=7.913 assign ( resid 2136 and name HB3 ) ( resid 2054 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2066 and name HG or resid 2069 and name HB# or resid 2075 and name HB2 or resid 2088 and name HB# or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2118 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 2.1 0.6 0.6 volume=1.974 peak=832 ppm1=1.784 ppm2=1.573 assign ( resid 2125 and name HG3 ) ( resid 2062 and name HB or resid 2064 and name HA or resid 2066 and name HA or resid 2085 and name HA or resid 2098 and name HB or resid 2107 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 3.0 1.1 1.1 volume=0.256 peak=705 ppm1=1.348 ppm2=4.224 assign ( resid 2054 and name HA ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2066 and name HD2# or resid 2075 and name HD2# or resid 2102 and name HD1# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.0 0.5 0.5 volume=3.036 peak=1043 ppm1=4.674 ppm2=0.831 assign ( resid 2133 and name HD2 ) ( resid 2120 and name HB2 or resid 2133 and name HB2 ) 3.1 1.2 1.2 volume=0.216 peak=764 ppm1=6.650 ppm2=2.985 assign ( resid 2056 and name HD2 ) ( resid 2049 and name HG3 or resid 2056 and name HB3 or resid 2057 and name HG3 or resid 2057 and name HG2 or resid 2058 and name HG2 or resid 2058 and name HG3 or resid 2061 and name HG3 or resid 2131 and name HB3 ) 3.0 1.1 1.1 volume=0.245 peak=582 ppm1=4.008 ppm2=2.497 assign ( resid 2094 and name HG2# ) ( resid 2070 and name HB# or resid 2083 and name HG12 or resid 2094 and name HG12 or resid 2094 and name HG13 or resid 2102 and name HB3 or resid 2112 and name HG or resid 2114 and name HB3 ) 2.1 0.5 0.5 volume=2.236 peak=555 ppm1=0.714 ppm2=1.445 assign ( resid 2131 and name HD2 ) ( resid 2063 and name HD1# or resid 2092 and name HD2# or resid 2114 and name HD2# or resid 2118 and name HD1# or resid 2136 and name HD1# ) 2.9 1.1 1.1 volume=0.278 peak=785 ppm1=6.055 ppm2=0.906 assign ( resid 2094 and name HB ) ( resid 2070 and name HB# or resid 2083 and name HG12 or resid 2094 and name HG12 or resid 2094 and name HG13 or resid 2102 and name HB3 or resid 2112 and name HG or resid 2114 and name HB3 ) 2.3 0.6 0.6 volume=1.288 peak=538 ppm1=1.729 ppm2=1.447 assign ( resid 2107 and name HA ) ( resid 2060 and name H or resid 2108 and name H or resid 2110 and name H or resid 2121 and name H or resid 2140 and name HE1 ) 2.7 0.9 0.9 volume=0.479 peak=283 ppm1=4.198 ppm2=8.011 assign ( resid 2125 and name HB3 ) ( resid 2056 and name HG2 or resid 2067 and name HB or resid 2101 and name HG3 or resid 2125 and name HB2 ) 2.2 0.6 0.6 volume=1.541 peak=682 ppm1=2.020 ppm2=2.284 assign ( resid 2122 and name HB3 ) ( resid 2059 and name HG3 or resid 2116 and name HB3 or resid 2121 and name HB2 or resid 2122 and name HB2 or resid 2123 and name HB2 ) 2.4 0.7 0.7 volume=1.064 peak=1110 ppm1=3.162 ppm2=2.365 assign ( resid 2093 and name HA3 ) ( resid 2047 and name HA or resid 2050 and name HA or resid 2052 and name HA or resid 2055 and name HB3 or resid 2086 and name HA or resid 2088 and name HA or resid 2093 and name HA2 or resid 2124 and name HA or resid 2124 and name HB or resid 2139 and name HA or resid 2140 and name HA ) 1.9 0.5 0.5 volume=3.351 peak=60 ppm1=3.761 ppm2=4.469 assign ( resid 2136 and name HB3 ) ( resid 2061 and name H or resid 2119 and name H or resid 2136 and name H ) 2.6 0.8 0.8 volume=0.653 peak=826 ppm1=1.789 ppm2=8.140 assign ( resid 2131 and name HD2 ) ( resid 2068 and name H or resid 2102 and name H or resid 2113 and name H or resid 2132 and name H ) 3.6 1.6 1.6 volume=0.084 peak=784 ppm1=6.056 ppm2=8.603 assign ( resid 2100 and name HA ) ( resid 2100 and name H ) 2.4 0.7 0.7 volume=0.922 peak=921 ppm1=4.151 ppm2=7.234 assign ( resid 2051 and name HB2 ) ( resid 2050 and name H or resid 2051 and name H or resid 2079 and name H or resid 2088 and name H ) 3.5 1.5 1.5 volume=0.102 peak=567 ppm1=1.612 ppm2=8.755 assign ( resid 2103 and name HG3 ) ( resid 2050 and name HD3 or resid 2050 and name HD2 or resid 2078 and name HB3 or resid 2103 and name HD2 or resid 2120 and name HB3 or resid 2140 and name HB2 ) 2.9 1.0 1.0 volume=0.310 peak=353 ppm1=1.957 ppm2=3.225 assign ( resid 2123 and name HG2 ) ( resid 2059 and name HG3 or resid 2081 and name HG2 or resid 2081 and name HG3 or resid 2116 and name HB3 or resid 2121 and name HB2 or resid 2122 and name HB2 or resid 2123 and name HB2 ) 2.4 0.7 0.7 volume=0.963 peak=658 ppm1=2.066 ppm2=2.337 assign ( resid 2094 and name HG13 ) ( resid 2050 and name HG2 or resid 2051 and name HB3 or resid 2092 and name HG or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2118 and name HB2 or resid 2127 and name HB# ) 2.4 0.7 0.7 volume=0.961 peak=545 ppm1=1.461 ppm2=1.728 assign ( resid 2068 and name HA ) ( resid 2061 and name HB3 or resid 2074 and name HB or resid 2083 and name HB or resid 2115 and name HG2 or resid 2130 and name HG3 ) 2.9 1.1 1.1 volume=0.294 peak=13 ppm1=4.045 ppm2=2.201 assign ( resid 2090 and name HD3 or resid 2090 and name HD2 ) ( resid 2054 and name HA or resid 2091 and name HA or resid 2113 and name HA ) 3.4 1.5 1.5 volume=0.110 peak=424 ppm1=1.760 ppm2=4.641 assign ( resid 2115 and name HB2 ) ( resid 2079 and name HA or resid 2114 and name HA or resid 2115 and name HA ) 2.8 1.0 1.0 volume=0.407 peak=614 ppm1=2.456 ppm2=4.941 assign ( resid 2067 and name HA ) ( resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.1 0.5 0.5 volume=2.406 peak=443 ppm1=3.529 ppm2=0.789 assign ( resid 2066 and name HD2# ) ( resid 2067 and name H or resid 2088 and name H ) 2.8 1.0 1.0 volume=0.340 peak=1012 ppm1=0.881 ppm2=8.817 assign ( resid 2103 and name HG2 ) ( resid 2050 and name HB3 or resid 2060 and name HB2 or resid 2060 and name HG2 or resid 2066 and name HB2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2106 and name HB3 or resid 2123 and name HG3 ) 2.3 0.6 0.6 volume=1.346 peak=351 ppm1=1.404 ppm2=1.959 assign ( resid 2125 and name HA ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2097 and name HD2# or resid 2100 and name HD2# or resid 2100 and name HD1# or resid 2124 and name HG2# or resid 2128 and name HD2# or resid 2128 and name HD1# or resid 2137 and name HG2# ) 2.5 0.8 0.8 volume=0.654 peak=681 ppm1=4.119 ppm2=1.028 assign ( resid 2091 and name HB3 or resid 2091 and name HB2 or resid 2109 and name HB2 ) ( resid 2091 and name HA or resid 2109 and name HA or resid 2113 and name HA ) 2.4 0.7 0.7 volume=0.955 peak=1139 ppm1=2.847 ppm2=4.623 assign ( resid 2125 and name HG2 ) ( resid 2077 and name HD2 or resid 2089 and name HZ or resid 2126 and name HD2 or resid 2138 and name HE22 ) 3.5 1.5 1.5 volume=0.099 peak=702 ppm1=1.920 ppm2=6.912 assign ( resid 2135 and name HD3 ) ( resid 2104 and name HB3 or resid 2126 and name HB3 or resid 2126 and name HB2 or resid 2135 and name HD2 ) 2.0 0.5 0.5 volume=3.078 peak=373 ppm1=3.073 ppm2=2.919 assign ( resid 2051 and name HA ) ( resid 2050 and name HG2 or resid 2051 and name HB3 or resid 2092 and name HG or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2118 and name HB2 or resid 2127 and name HB# ) 2.5 0.8 0.8 volume=0.739 peak=565 ppm1=4.519 ppm2=1.728 assign ( resid 2094 and name HG13 ) ( resid 2055 and name HB2 or resid 2056 and name HD2 or resid 2065 and name HA or resid 2068 and name HA or resid 2074 and name HA or resid 2082 and name HB3 or resid 2083 and name HA or resid 2087 and name HA or resid 2094 and name HA or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2121 and name HA or resid 2130 and name HA ) 2.9 1.1 1.1 volume=0.299 peak=541 ppm1=1.467 ppm2=4.024 assign ( resid 2125 and name HG2 ) ( resid 2113 and name HB3 or resid 2125 and name HD2 or resid 2131 and name HB3 ) 2.9 1.1 1.1 volume=0.300 peak=697 ppm1=1.917 ppm2=2.547 assign ( resid 2049 and name HG3 or resid 2056 and name HB3 ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2056 and name HB2 or resid 2057 and name HB2 or resid 2063 and name HB3 or resid 2080 and name HG2 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG2 or resid 2085 and name HB2 or resid 2097 and name HB2 or resid 2106 and name HB3 or resid 2115 and name HB3 or resid 2118 and name HB3 or resid 2125 and name HB3 or resid 2128 and name HB2 or resid 2130 and name HB3 ) 1.9 0.4 0.4 volume=4.254 peak=571 ppm1=2.500 ppm2=2.018 assign ( resid 2119 and name HG12 ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2123 and name HD2 or resid 2134 and name HA ) 3.0 1.1 1.1 volume=0.267 peak=490 ppm1=1.104 ppm2=3.700 assign ( resid 2125 and name HA ) ( resid 2056 and name HG2 or resid 2067 and name HB or resid 2101 and name HG3 or resid 2125 and name HB2 or resid 2128 and name HB3 ) 2.4 0.7 0.7 volume=0.930 peak=677 ppm1=4.118 ppm2=2.278 assign ( resid 2090 and name HD3 or resid 2090 and name HD2 ) ( resid 2048 and name HB3 or resid 2090 and name HE2 or resid 2090 and name HE3 or resid 2103 and name HD3 or resid 2135 and name HD3 or resid 2140 and name HB3 ) 1.8 0.4 0.4 volume=5.465 peak=423 ppm1=1.764 ppm2=3.044 assign ( resid 2067 and name HA ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2056 and name HB2 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2063 and name HB3 or resid 2066 and name HB2 or resid 2080 and name HG2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2106 and name HB3 or resid 2123 and name HG3 or resid 2125 and name HB3 or resid 2128 and name HB2 ) 3.1 1.2 1.2 volume=0.217 peak=442 ppm1=3.529 ppm2=1.992 assign ( resid 2082 and name HB2 or resid 2139 and name HB2 or resid 2139 and name HB3 ) ( resid 2062 and name HG2# or resid 2079 and name HG2# or resid 2099 and name HB# or resid 2114 and name HD1# or resid 2117 and name HG2# or resid 2132 and name HB3 or resid 2134 and name HG2# ) 2.6 0.8 0.8 volume=0.572 peak=309 ppm1=3.869 ppm2=1.222 assign ( resid 2067 and name HG1# ) ( resid 2056 and name HG2 or resid 2067 and name HB or resid 2101 and name HG3 or resid 2125 and name HB2 or resid 2128 and name HB3 or resid 2130 and name HG3 ) 1.9 0.5 0.5 volume=3.773 peak=453 ppm1=1.067 ppm2=2.265 assign ( resid 2132 and name HD1# ) ( resid 2060 and name HA or resid 2067 and name HA or resid 2129 and name HB or resid 2132 and name HA ) 2.2 0.6 0.6 volume=1.520 peak=819 ppm1=0.802 ppm2=3.550 assign ( resid 2050 and name HB3 ) ( resid 2050 and name HG2 or resid 2051 and name HB3 or resid 2092 and name HG or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2118 and name HB2 or resid 2127 and name HB# ) 2.2 0.6 0.6 volume=1.601 peak=321 ppm1=1.939 ppm2=1.720 assign ( resid 2115 and name HG2 ) ( resid 2079 and name HA or resid 2114 and name HA or resid 2115 and name HA ) 3.1 1.2 1.2 volume=0.214 peak=624 ppm1=2.222 ppm2=4.935 assign ( resid 2054 and name HD2# ) ( resid 2054 and name H or resid 2059 and name HE21 or resid 2109 and name HD22 ) 2.6 0.8 0.8 volume=0.620 peak=1048 ppm1=0.826 ppm2=7.410 assign ( resid 2056 and name HD2 ) ( resid 2056 and name HG3 or resid 2057 and name HB3 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2061 and name HB2 or resid 2080 and name HG3 or resid 2080 and name HB2 or resid 2092 and name HB2 or resid 2103 and name HB2 or resid 2116 and name HG2 or resid 2116 and name HG3 or resid 2130 and name HG2 or resid 2130 and name HB2 or resid 2138 and name HB3 ) 2.6 0.8 0.8 volume=0.590 peak=586 ppm1=4.008 ppm2=2.152 assign ( resid 2120 and name HB3 ) ( resid 2120 and name HB2 or resid 2133 and name HB2 ) 2.0 0.5 0.5 volume=3.036 peak=1086 ppm1=3.215 ppm2=2.977 assign ( resid 2125 and name HG2 ) ( resid 2052 and name HA or resid 2055 and name HB3 or resid 2082 and name HA or resid 2086 and name HA or resid 2088 and name HA or resid 2093 and name HA2 or resid 2097 and name HA or resid 2124 and name HA or resid 2124 and name HB or resid 2139 and name HA or resid 2140 and name HA ) 3.0 1.1 1.1 volume=0.259 peak=700 ppm1=1.921 ppm2=4.449 assign ( resid 2123 and name HB2 ) ( resid 2049 and name HB3 or resid 2058 and name HB2 or resid 2080 and name HB3 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG3 or resid 2085 and name HG2 or resid 2097 and name HB2 or resid 2103 and name HB3 or resid 2115 and name HB3 or resid 2116 and name HB2 or resid 2118 and name HB3 or resid 2123 and name HG2 or resid 2130 and name HB3 or resid 2132 and name HB2 or resid 2138 and name HB2 ) 2.6 0.8 0.8 volume=0.639 peak=649 ppm1=2.338 ppm2=2.063 assign ( resid 2119 and name HD1# ) ( resid 2061 and name H or resid 2082 and name H or resid 2119 and name H or resid 2136 and name H ) 2.4 0.7 0.7 volume=0.918 peak=501 ppm1=0.211 ppm2=8.116 assign ( resid 2097 and name HA or resid 2124 and name HA ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2097 and name HD2# or resid 2100 and name HD2# or resid 2100 and name HD1# or resid 2124 and name HG2# or resid 2128 and name HD1# or resid 2137 and name HG2# ) 2.1 0.6 0.6 volume=1.943 peak=284 ppm1=4.440 ppm2=1.012 assign ( resid 2059 and name HG2 ) ( resid 2047 and name HB2 or resid 2047 and name HB3 or resid 2053 and name HA3 or resid 2059 and name HA or resid 2085 and name HD2 or resid 2111 and name HA2 or resid 2119 and name HA or resid 2133 and name HA ) 2.8 1.0 1.0 volume=0.345 peak=149 ppm1=2.846 ppm2=3.834 assign ( resid 2119 and name HB ) ( resid 2061 and name H or resid 2082 and name H or resid 2119 and name H or resid 2136 and name H ) 2.5 0.8 0.8 volume=0.826 peak=462 ppm1=1.598 ppm2=8.115 assign ( resid 2116 and name HD3 ) ( resid 2060 and name HE21 or resid 2117 and name H or resid 2122 and name HD2 ) 3.1 1.2 1.2 volume=0.209 peak=732 ppm1=3.873 ppm2=6.821 assign ( resid 2136 and name HA ) ( resid 2083 and name H or resid 2086 and name H or resid 2087 and name H or resid 2094 and name H or resid 2137 and name H or resid 2138 and name HE21 ) 2.9 1.1 1.1 volume=0.302 peak=837 ppm1=4.240 ppm2=7.591 assign ( resid 2063 and name HB2 ) ( resid 2061 and name HA or resid 2063 and name HA or resid 2076 and name HA3 or resid 2081 and name HA or resid 2098 and name HA or resid 2100 and name HA or resid 2101 and name HA or resid 2105 and name HA or resid 2111 and name HA3 or resid 2116 and name HA or resid 2125 and name HA or resid 2127 and name HA or resid 2128 and name HA ) 2.6 0.9 0.9 volume=0.539 peak=1021 ppm1=1.324 ppm2=4.120 assign ( resid 2121 and name HB3 ) ( resid 2060 and name H or resid 2108 and name H or resid 2110 and name H or resid 2121 and name H or resid 2140 and name HE1 ) 2.6 0.9 0.9 volume=0.555 peak=98 ppm1=1.905 ppm2=8.006 assign ( resid 2051 and name HA ) ( resid 2050 and name H or resid 2051 and name H or resid 2078 and name H or resid 2079 and name H ) 3.3 1.3 1.3 volume=0.151 peak=564 ppm1=4.516 ppm2=8.739 assign ( resid 2133 and name HE1 ) ( resid 2056 and name HA or resid 2073 and name HB or resid 2079 and name HB or resid 2092 and name HA or resid 2104 and name HA or resid 2108 and name HA or resid 2120 and name HA or resid 2129 and name HA or resid 2137 and name HA or resid 2138 and name HA ) 3.1 1.2 1.2 volume=0.189 peak=791 ppm1=7.744 ppm2=4.378 assign ( resid 2063 and name HB3 ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H or resid 2129 and name H ) 2.8 1.0 1.0 volume=0.367 peak=1018 ppm1=2.005 ppm2=8.907 assign ( resid 2101 and name HA ) ( resid 2068 and name H or resid 2070 and name H or resid 2102 and name H or resid 2113 and name H or resid 2132 and name H or resid 2133 and name H ) 2.8 1.0 1.0 volume=0.366 peak=207 ppm1=4.147 ppm2=8.579 assign ( resid 2097 and name HA ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H or resid 2129 and name H ) 2.9 1.1 1.1 volume=0.290 peak=287 ppm1=4.435 ppm2=8.917 assign ( resid 2068 and name HA ) ( resid 2070 and name HB# or resid 2083 and name HG12 or resid 2094 and name HG12 or resid 2094 and name HG13 or resid 2102 and name HB3 or resid 2112 and name HG or resid 2114 and name HB3 ) 2.8 1.0 1.0 volume=0.346 peak=12 ppm1=4.042 ppm2=1.442 assign ( resid 2135 and name HG3 or resid 2135 and name HG2 ) ( resid 2050 and name HG3 or resid 2068 and name HB# or resid 2083 and name HG13 or resid 2128 and name HG or resid 2135 and name HB3 or resid 2135 and name HB2 ) 2.2 0.6 0.6 volume=1.640 peak=393 ppm1=1.187 ppm2=1.654 assign ( resid 2089 and name HA ) ( resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2094 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.2 0.6 0.6 volume=1.559 peak=1090 ppm1=4.183 ppm2=0.781 assign ( resid 2121 and name HB3 ) ( resid 2053 and name HA2 or resid 2055 and name HB2 or resid 2057 and name HA or resid 2068 and name HA or resid 2069 and name HA or resid 2083 and name HA or resid 2085 and name HD3 or resid 2094 and name HA or resid 2098 and name HA or resid 2118 and name HA or resid 2121 and name HA or resid 2128 and name HA ) 2.3 0.7 0.7 volume=1.247 peak=92 ppm1=1.905 ppm2=4.060 assign ( resid 2054 and name HB3 ) ( resid 2059 and name HG3 or resid 2081 and name HG2 or resid 2081 and name HG3 or resid 2116 and name HB3 or resid 2121 and name HB2 or resid 2122 and name HB2 or resid 2123 and name HB2 ) 2.9 1.1 1.1 volume=0.281 peak=1037 ppm1=1.876 ppm2=2.353 assign ( resid 2134 and name HA ) ( resid 2057 and name H or resid 2068 and name H or resid 2070 and name H or resid 2105 and name H or resid 2113 and name H or resid 2133 and name H ) 3.5 1.5 1.5 volume=0.101 peak=298 ppm1=3.706 ppm2=8.557 assign ( resid 2119 and name HB ) ( resid 2119 and name HG2# ) 2.2 0.6 0.6 volume=1.769 peak=469 ppm1=1.598 ppm2=0.282 assign ( resid 2133 and name HD2 ) ( resid 2078 and name HB3 or resid 2095 and name HB2 or resid 2108 and name HB2 or resid 2133 and name HB3 ) 3.2 1.3 1.3 volume=0.169 peak=763 ppm1=6.652 ppm2=3.287 assign ( resid 2119 and name HG13 ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2123 and name HD2 or resid 2134 and name HA ) 2.8 1.0 1.0 volume=0.358 peak=488 ppm1=0.732 ppm2=3.700 assign ( resid 2118 and name HA ) ( resid 2109 and name HD21 or resid 2118 and name H ) 2.4 0.7 0.7 volume=0.836 peak=99 ppm1=4.069 ppm2=7.364 assign ( resid 2103 and name HB2 ) ( resid 2072 and name HB# or resid 2075 and name HB3 or resid 2098 and name HG2# or resid 2103 and name HG2 or resid 2112 and name HG or resid 2114 and name HB3 ) 3.0 1.1 1.1 volume=0.263 peak=346 ppm1=2.167 ppm2=1.406 assign ( resid 2118 and name HB2 ) ( resid 2109 and name HD21 or resid 2118 and name H ) 2.7 0.9 0.9 volume=0.510 peak=1056 ppm1=1.719 ppm2=7.368 assign ( resid 2097 and name HB3 ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H or resid 2129 and name H ) 2.5 0.8 0.8 volume=0.739 peak=940 ppm1=1.736 ppm2=8.912 assign ( resid 2132 and name HB3 ) ( resid 2068 and name H or resid 2070 and name H or resid 2102 and name H or resid 2113 and name H or resid 2132 and name H ) 2.8 1.0 1.0 volume=0.398 peak=807 ppm1=1.213 ppm2=8.589 assign ( resid 2092 and name HB2 ) ( resid 2083 and name H or resid 2086 and name H or resid 2087 and name H or resid 2094 and name H or resid 2101 and name H or resid 2137 and name H or resid 2138 and name HE21 ) 3.3 1.4 1.4 volume=0.136 peak=958 ppm1=2.120 ppm2=7.583 assign ( resid 2102 and name HD1# ) ( resid 2061 and name HB3 or resid 2074 and name HB or resid 2083 and name HB or resid 2115 and name HG2 or resid 2128 and name HB3 or resid 2130 and name HG3 ) 2.6 0.8 0.8 volume=0.615 peak=890 ppm1=0.807 ppm2=2.211 assign ( resid 2128 and name HG ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2097 and name HD2# or resid 2100 and name HD2# or resid 2100 and name HD1# or resid 2124 and name HG2# or resid 2128 and name HD2# or resid 2128 and name HD1# or resid 2137 and name HG2# ) 1.9 0.4 0.4 volume=3.931 peak=865 ppm1=1.650 ppm2=1.022 assign ( resid 2125 and name HD2 ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2049 and name HB3 or resid 2056 and name HB2 or resid 2057 and name HB2 or resid 2063 and name HB3 or resid 2080 and name HG2 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG3 or resid 2085 and name HG2 or resid 2097 and name HB2 or resid 2115 and name HB3 or resid 2118 and name HB3 or resid 2125 and name HB3 or resid 2128 and name HB2 or resid 2130 and name HB3 or resid 2132 and name HB2 ) 3.0 1.1 1.1 volume=0.256 peak=718 ppm1=2.555 ppm2=2.028 assign ( resid 2133 and name HB3 ) ( resid 2133 and name HD2 ) 3.2 1.3 1.3 volume=0.169 peak=754 ppm1=3.288 ppm2=6.650 assign ( resid 2102 and name HA ) ( resid 2054 and name HD2# or resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.1 0.6 0.6 volume=1.962 peak=368 ppm1=3.976 ppm2=0.801 assign ( resid 2102 and name HB3 ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2123 and name HD2 or resid 2134 and name HA ) 2.8 1.0 1.0 volume=0.362 peak=900 ppm1=1.473 ppm2=3.702 assign ( resid 2095 and name HB2 ) ( resid 2095 and name H or resid 2140 and name HE1 or resid 2140 and name H ) 3.1 1.2 1.2 volume=0.196 peak=76 ppm1=3.275 ppm2=8.054 assign ( resid 2102 and name HB3 ) ( resid 2063 and name HB2 or resid 2065 and name HG2# or resid 2073 and name HG2# or resid 2086 and name HB# or resid 2102 and name HG or resid 2105 and name HG2# or resid 2107 and name HG2# ) 2.4 0.7 0.7 volume=0.834 peak=906 ppm1=1.475 ppm2=1.309 assign ( resid 2135 and name HD2 ) ( resid 2062 and name HG2# or resid 2117 and name HG2# or resid 2132 and name HB3 or resid 2135 and name HG3 or resid 2135 and name HG2 ) 2.2 0.6 0.6 volume=1.709 peak=378 ppm1=2.915 ppm2=1.186 assign ( resid 2132 and name HG ) ( resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 1.9 0.4 0.4 volume=3.977 peak=820 ppm1=2.109 ppm2=0.800 assign ( resid 2116 and name HA ) ( resid 2060 and name HE21 or resid 2117 and name H or resid 2122 and name HD2 ) 3.0 1.1 1.1 volume=0.250 peak=610 ppm1=4.106 ppm2=6.827 assign ( resid 2127 and name HB# ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2097 and name HD2# or resid 2100 and name HD2# or resid 2100 and name HD1# or resid 2124 and name HG2# or resid 2128 and name HD2# or resid 2128 and name HD1# or resid 2137 and name HG2# ) 2.3 0.7 0.7 volume=1.109 peak=54 ppm1=1.716 ppm2=1.025 assign ( resid 2051 and name HB2 ) ( resid 2054 and name HD1# or resid 2063 and name HD1# or resid 2066 and name HD2# or resid 2114 and name HD2# or resid 2136 and name HD1# ) 1.9 0.5 0.5 volume=3.556 peak=1137 ppm1=1.609 ppm2=0.877 assign ( resid 2122 and name HB3 ) ( resid 2120 and name HE# or resid 2122 and name H ) 2.9 1.0 1.0 volume=0.328 peak=1100 ppm1=3.162 ppm2=7.321 assign ( resid 2119 and name HB ) ( resid 2071 and name HG2# or resid 2073 and name HG2# or resid 2079 and name HG2# or resid 2099 and name HB# or resid 2110 and name HG2# or resid 2114 and name HD1# or resid 2134 and name HG2# ) 2.4 0.7 0.7 volume=0.972 peak=467 ppm1=1.597 ppm2=1.253 assign ( resid 2050 and name HD3 or resid 2050 and name HD2 ) ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HG or resid 2066 and name HG or resid 2068 and name HB# or resid 2092 and name HB3 or resid 2114 and name HG or resid 2119 and name HB or resid 2128 and name HG or resid 2135 and name HB3 ) 1.9 0.5 0.5 volume=3.619 peak=327 ppm1=3.220 ppm2=1.627 assign ( resid 2123 and name HD3 ) ( resid 2050 and name HB3 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2060 and name HG2 or resid 2063 and name HB3 or resid 2066 and name HB2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2106 and name HB3 or resid 2123 and name HG3 ) 2.5 0.8 0.8 volume=0.717 peak=671 ppm1=3.422 ppm2=1.972 assign ( resid 2100 and name HG ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2097 and name HD2# or resid 2100 and name HD2# or resid 2100 and name HD1# or resid 2112 and name HB2 or resid 2124 and name HG2# or resid 2128 and name HD2# or resid 2128 and name HD1# ) 1.9 0.5 0.5 volume=3.666 peak=885 ppm1=1.812 ppm2=1.033 assign ( resid 2122 and name HD2 ) ( resid 2053 and name HA2 or resid 2055 and name HB2 or resid 2057 and name HA or resid 2068 and name HA or resid 2069 and name HA or resid 2083 and name HA or resid 2085 and name HD3 or resid 2098 and name HA or resid 2118 and name HA or resid 2121 and name HA or resid 2128 and name HA ) 2.7 0.9 0.9 volume=0.457 peak=1113 ppm1=6.801 ppm2=4.069 assign ( resid 2062 and name HB ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H or resid 2129 and name H ) 3.2 1.2 1.2 volume=0.181 peak=223 ppm1=4.264 ppm2=8.905 assign ( resid 2102 and name HB2 ) ( resid 2119 and name HD1# ) 3.0 1.2 1.2 volume=0.230 peak=914 ppm1=1.838 ppm2=0.212 assign ( resid 2118 and name HG ) ( resid 2061 and name H or resid 2082 and name H or resid 2119 and name H or resid 2136 and name H ) 3.4 1.4 1.4 volume=0.118 peak=1070 ppm1=1.551 ppm2=8.111 assign ( resid 2118 and name HG ) ( resid 2060 and name HE21 or resid 2117 and name H or resid 2122 and name HD2 ) 3.3 1.3 1.3 volume=0.151 peak=1069 ppm1=1.548 ppm2=6.809 assign ( resid 2090 and name HB3 ) ( resid 2090 and name H ) 2.2 0.6 0.6 volume=1.400 peak=414 ppm1=1.779 ppm2=9.234 assign ( resid 2102 and name HB2 ) ( resid 2102 and name HD2# ) 2.4 0.7 0.7 volume=0.902 peak=908 ppm1=1.840 ppm2=0.487 assign ( resid 2080 and name HB3 ) ( resid 2054 and name HB2 or resid 2064 and name HB# or resid 2069 and name HB# or resid 2088 and name HB# or resid 2090 and name HG2 or resid 2118 and name HG or resid 2136 and name HB2 ) 2.8 1.0 1.0 volume=0.374 peak=593 ppm1=2.090 ppm2=1.545 assign ( resid 2060 and name HB3 ) ( resid 2061 and name H or resid 2082 and name H or resid 2119 and name H or resid 2136 and name H ) 2.6 0.9 0.9 volume=0.562 peak=167 ppm1=2.114 ppm2=8.113 assign ( resid 2125 and name HD2 ) ( resid 2052 and name HA or resid 2055 and name HB3 or resid 2082 and name HA or resid 2086 and name HA or resid 2088 and name HA or resid 2093 and name HA2 or resid 2097 and name HA or resid 2124 and name HA or resid 2124 and name HB or resid 2139 and name HA or resid 2140 and name HA ) 2.4 0.7 0.7 volume=0.995 peak=716 ppm1=2.560 ppm2=4.451 assign ( resid 2054 and name HD1# or resid 2063 and name HD1# ) ( resid 2050 and name HB2 or resid 2059 and name HB2 or resid 2063 and name HG or resid 2100 and name HG or resid 2102 and name HB2 or resid 2106 and name HG ) 2.0 0.5 0.5 volume=3.259 peak=1030 ppm1=0.877 ppm2=1.834 assign ( resid 2100 and name HB2 or resid 2100 and name HB3 ) ( resid 2048 and name HE1 or resid 2052 and name HD22 or resid 2092 and name H or resid 2103 and name H or resid 2104 and name HD22 or resid 2108 and name HE1 ) 3.4 1.5 1.5 volume=0.109 peak=932 ppm1=1.883 ppm2=7.818 assign ( resid 2138 and name HG3 or resid 2138 and name HG2 ) ( resid 2055 and name HB3 or resid 2056 and name HA or resid 2079 and name HB or resid 2082 and name HA or resid 2092 and name HA or resid 2097 and name HA or resid 2104 and name HA or resid 2108 and name HA or resid 2120 and name HA or resid 2129 and name HA or resid 2137 and name HA or resid 2138 and name HA ) 2.2 0.6 0.6 volume=1.502 peak=200 ppm1=2.423 ppm2=4.409 assign ( resid 2059 and name HG3 ) ( resid 2054 and name H or resid 2059 and name HE21 or resid 2109 and name HD22 ) 2.8 1.0 1.0 volume=0.375 peak=151 ppm1=2.345 ppm2=7.412 assign ( resid 2049 and name HB3 ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD1# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 2.5 0.8 0.8 volume=0.663 peak=431 ppm1=2.081 ppm2=0.866 assign ( resid 2054 and name HD1# ) ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2066 and name HG or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 1.8 0.4 0.4 volume=5.562 peak=1032 ppm1=0.874 ppm2=1.599 assign ( resid 2115 and name HD2 ) ( resid 2051 and name HB2 or resid 2054 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2066 and name HG or resid 2069 and name HB# or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2118 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 2.7 0.9 0.9 volume=0.422 peak=603 ppm1=3.712 ppm2=1.578 assign ( resid 2093 and name HA2 ) ( resid 2061 and name HE21 or resid 2083 and name H or resid 2086 and name H or resid 2087 and name H or resid 2094 and name H or resid 2101 and name H or resid 2137 and name H or resid 2138 and name HE21 ) 2.7 0.9 0.9 volume=0.439 peak=65 ppm1=4.472 ppm2=7.578 assign ( resid 2125 and name HD3 ) ( resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.8 1.0 1.0 volume=0.338 peak=693 ppm1=3.766 ppm2=0.788 assign ( resid 2130 and name HA ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H or resid 2129 and name H ) 3.4 1.4 1.4 volume=0.116 peak=185 ppm1=3.989 ppm2=8.915 assign ( resid 2132 and name HD1# ) ( resid 2057 and name HB3 or resid 2058 and name HB2 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2080 and name HB3 or resid 2092 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB3 or resid 2116 and name HB2 or resid 2132 and name HG or resid 2138 and name HB3 ) 1.9 0.5 0.5 volume=3.406 peak=823 ppm1=0.796 ppm2=2.109 assign ( resid 2117 and name HG2# ) ( resid 2060 and name HE21 or resid 2117 and name H or resid 2122 and name HD2 ) 2.2 0.6 0.6 volume=1.584 peak=252 ppm1=1.200 ppm2=6.820 assign ( resid 2063 and name HB2 ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H or resid 2129 and name H ) 3.0 1.1 1.1 volume=0.257 peak=1019 ppm1=1.325 ppm2=8.899 assign ( resid 2132 and name HA ) ( resid 2062 and name HG2# or resid 2079 and name HG2# or resid 2114 and name HD1# or resid 2117 and name HG2# or resid 2132 and name HB3 or resid 2134 and name HG2# or resid 2135 and name HG3 or resid 2135 and name HG2 ) 2.3 0.7 0.7 volume=1.068 peak=804 ppm1=3.560 ppm2=1.210 assign ( resid 2100 and name HB2 or resid 2100 and name HB3 ) ( resid 2099 and name H ) 3.3 1.3 1.3 volume=0.146 peak=931 ppm1=1.887 ppm2=8.992 assign ( resid 2071 and name HA ) ( resid 2068 and name H or resid 2070 and name H or resid 2102 and name H or resid 2113 and name H or resid 2132 and name H ) 3.4 1.5 1.5 volume=0.111 peak=1150 ppm1=4.328 ppm2=8.585 assign ( resid 2133 and name HA ) ( resid 2120 and name HB2 or resid 2133 and name HB2 ) 2.5 0.8 0.8 volume=0.772 peak=513 ppm1=3.861 ppm2=2.984 assign ( resid 2083 and name HG13 ) ( resid 2070 and name HB# or resid 2083 and name HG12 or resid 2094 and name HG12 or resid 2094 and name HG13 or resid 2102 and name HB3 ) 2.0 0.5 0.5 volume=2.769 peak=527 ppm1=1.688 ppm2=1.454 assign ( resid 2119 and name HD1# ) ( resid 2050 and name HB2 or resid 2059 and name HB2 or resid 2063 and name HG or resid 2100 and name HG or resid 2102 and name HB2 or resid 2106 and name HG ) 2.5 0.8 0.8 volume=0.666 peak=504 ppm1=0.211 ppm2=1.833 assign ( resid 2056 and name HA ) ( resid 2060 and name H or resid 2063 and name H or resid 2108 and name H or resid 2121 and name H ) 3.0 1.1 1.1 volume=0.241 peak=574 ppm1=4.374 ppm2=7.974 assign ( resid 2089 and name HZ ) ( resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 3.0 1.2 1.2 volume=0.226 peak=1098 ppm1=6.914 ppm2=0.793 assign ( resid 2056 and name HB2 ) ( resid 2056 and name HA or resid 2073 and name HB or resid 2079 and name HB or resid 2092 and name HA or resid 2104 and name HA or resid 2108 and name HA or resid 2120 and name HA or resid 2129 and name HA or resid 2137 and name HA or resid 2138 and name HA ) 2.4 0.7 0.7 volume=0.848 peak=573 ppm1=2.015 ppm2=4.380 assign ( resid 2128 and name HB3 ) ( resid 2077 and name HD2 or resid 2089 and name HZ or resid 2126 and name HD2 or resid 2138 and name HE22 ) 3.2 1.3 1.3 volume=0.176 peak=859 ppm1=2.242 ppm2=6.914 assign ( resid 2102 and name HA ) ( resid 2070 and name HB# or resid 2083 and name HG12 or resid 2090 and name HG3 or resid 2094 and name HG12 or resid 2094 and name HG13 or resid 2102 and name HB3 ) 2.4 0.7 0.7 volume=0.942 peak=895 ppm1=3.976 ppm2=1.462 assign ( resid 2058 and name HB3 ) ( resid 2054 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2066 and name HG or resid 2069 and name HB# or resid 2075 and name HB2 or resid 2088 and name HB# or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2118 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 2.8 1.0 1.0 volume=0.351 peak=105 ppm1=2.455 ppm2=1.572 assign ( resid 2057 and name HG3 or resid 2057 and name HG2 ) ( resid 2057 and name HE21 or resid 2075 and name H or resid 2077 and name HE1 or resid 2089 and name HE# or resid 2112 and name H or resid 2126 and name HE1 ) 2.6 0.8 0.8 volume=0.587 peak=101 ppm1=2.459 ppm2=7.664 assign ( resid 2125 and name HG3 ) ( resid 2050 and name HB3 or resid 2060 and name HG2 or resid 2100 and name HB2 or resid 2100 and name HB3 or resid 2103 and name HG3 or resid 2115 and name HG3 or resid 2121 and name HB3 or resid 2125 and name HG2 ) 2.5 0.8 0.8 volume=0.754 peak=712 ppm1=1.349 ppm2=1.924 assign ( resid 2131 and name HA ) ( resid 2058 and name H or resid 2063 and name H or resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2130 and name H or resid 2131 and name H or resid 2135 and name H ) 2.4 0.7 0.7 volume=0.862 peak=767 ppm1=4.254 ppm2=7.923 assign ( resid 2056 and name HG2 ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2056 and name HB2 or resid 2057 and name HB2 or resid 2063 and name HB3 or resid 2080 and name HG2 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG2 or resid 2085 and name HB2 or resid 2097 and name HB2 or resid 2106 and name HB3 or resid 2115 and name HB3 or resid 2125 and name HB3 or resid 2128 and name HB2 or resid 2130 and name HB3 ) 2.3 0.7 0.7 volume=1.078 peak=579 ppm1=2.292 ppm2=2.016 assign ( resid 2116 and name HB2 ) ( resid 2053 and name HA2 or resid 2057 and name HA or resid 2061 and name HA or resid 2063 and name HA or resid 2069 and name HA or resid 2076 and name HA3 or resid 2085 and name HD3 or resid 2098 and name HA or resid 2105 and name HA or resid 2111 and name HA3 or resid 2116 and name HA or resid 2118 and name HA or resid 2125 and name HA or resid 2128 and name HA ) 2.2 0.6 0.6 volume=1.595 peak=591 ppm1=2.092 ppm2=4.101 assign ( resid 2080 and name HA ) ( resid 2056 and name HD3 or resid 2062 and name HA or resid 2073 and name HA or resid 2080 and name HD3 or resid 2082 and name HB3 or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HB or resid 2102 and name HA or resid 2115 and name HD3 or resid 2116 and name HD2 or resid 2130 and name HA or resid 2135 and name HA ) 3.1 1.2 1.2 volume=0.192 peak=590 ppm1=4.265 ppm2=3.961 assign ( resid 2059 and name HG3 ) ( resid 2047 and name HB2 or resid 2047 and name HB3 or resid 2053 and name HA3 or resid 2059 and name HA or resid 2085 and name HD2 or resid 2111 and name HA2 or resid 2119 and name HA or resid 2133 and name HA ) 2.8 1.0 1.0 volume=0.399 peak=148 ppm1=2.345 ppm2=3.834 assign ( resid 2135 and name HA ) ( resid 2066 and name H or resid 2076 and name H or resid 2103 and name H or resid 2131 and name HE1 or resid 2133 and name HE1 or resid 2138 and name H ) 3.3 1.4 1.4 volume=0.135 peak=365 ppm1=3.969 ppm2=7.760 assign ( resid 2131 and name HB2 ) ( resid 2058 and name H or resid 2063 and name H or resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2130 and name H or resid 2131 and name H or resid 2135 and name H ) 2.6 0.8 0.8 volume=0.621 peak=770 ppm1=2.853 ppm2=7.923 assign ( resid 2121 and name HA ) ( resid 2060 and name H or resid 2108 and name H or resid 2110 and name H or resid 2121 and name H or resid 2140 and name HE1 ) 2.4 0.7 0.7 volume=0.868 peak=14 ppm1=4.056 ppm2=8.006 assign ( resid 2125 and name HD2 ) ( resid 2050 and name HB3 or resid 2060 and name HG2 or resid 2100 and name HB2 or resid 2100 and name HB3 or resid 2103 and name HG3 or resid 2115 and name HG3 or resid 2121 and name HB3 or resid 2125 and name HG2 ) 2.8 1.0 1.0 volume=0.355 peak=719 ppm1=2.561 ppm2=1.923 assign ( resid 2131 and name HA ) ( resid 2059 and name HG2 or resid 2089 and name HB3 or resid 2091 and name HB3 or resid 2091 and name HB2 or resid 2109 and name HB2 or resid 2131 and name HB2 ) 2.5 0.8 0.8 volume=0.663 peak=777 ppm1=4.254 ppm2=2.853 assign ( resid 2095 and name HB3 ) ( resid 2095 and name H or resid 2110 and name H or resid 2140 and name HE1 or resid 2140 and name H ) 3.0 1.1 1.1 volume=0.262 peak=78 ppm1=2.696 ppm2=8.053 assign ( resid 2125 and name HB2 ) ( resid 2055 and name H or resid 2081 and name H or resid 2126 and name H ) 3.2 1.2 1.2 volume=0.181 peak=687 ppm1=2.295 ppm2=9.074 assign ( resid 2128 and name HD2# ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2056 and name HB2 or resid 2057 and name HB2 or resid 2063 and name HB3 or resid 2080 and name HG2 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG3 or resid 2085 and name HG2 or resid 2097 and name HB2 or resid 2106 and name HB3 or resid 2115 and name HB3 or resid 2118 and name HB3 or resid 2125 and name HB3 or resid 2128 and name HB2 or resid 2130 and name HB3 ) 2.2 0.6 0.6 volume=1.448 peak=871 ppm1=1.050 ppm2=2.020 assign ( resid 2103 and name HA ) ( resid 2049 and name H or resid 2052 and name H or resid 2065 and name H or resid 2097 and name H or resid 2106 and name H or resid 2134 and name H or resid 2139 and name H ) 3.0 1.2 1.2 volume=0.226 peak=331 ppm1=3.704 ppm2=8.296 assign ( resid 2131 and name HB2 ) ( resid 2131 and name HD2 ) 3.0 1.1 1.1 volume=0.250 peak=778 ppm1=2.853 ppm2=6.056 assign ( resid 2061 and name HA ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H or resid 2129 and name H ) 2.7 0.9 0.9 volume=0.478 peak=175 ppm1=4.113 ppm2=8.904 assign ( resid 2094 and name HD1# ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2100 and name HD2# or resid 2100 and name HD1# or resid 2112 and name HB2 or resid 2124 and name HG2# or resid 2128 and name HD2# or resid 2128 and name HD1# ) 2.0 0.5 0.5 volume=2.727 peak=563 ppm1=0.750 ppm2=1.042 assign ( resid 2090 and name HB2 ) ( resid 2066 and name HB3 or resid 2075 and name HG or resid 2090 and name HB3 or resid 2090 and name HD3 or resid 2090 and name HD2 or resid 2136 and name HG or resid 2136 and name HB3 ) 1.6 0.3 0.3 volume=9.268 peak=411 ppm1=1.969 ppm2=1.771 assign ( resid 2099 and name HA ) ( resid 2068 and name H or resid 2070 and name H or resid 2102 and name H or resid 2113 and name H or resid 2132 and name H ) 2.8 1.0 1.0 volume=0.384 peak=32 ppm1=3.701 ppm2=8.596 assign ( resid 2092 and name HD1# or resid 2102 and name HD1# ) ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HG or resid 2066 and name HG or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HG or resid 2119 and name HB or resid 2128 and name HG or resid 2135 and name HB3 ) 2.0 0.5 0.5 volume=2.827 peak=981 ppm1=0.790 ppm2=1.625 assign ( resid 2102 and name HD1# ) ( resid 2063 and name HB2 or resid 2065 and name HG2# or resid 2073 and name HG2# or resid 2086 and name HB# or resid 2102 and name HG or resid 2105 and name HG2# or resid 2107 and name HG2# ) 1.9 0.4 0.4 volume=4.201 peak=889 ppm1=0.807 ppm2=1.309 assign ( resid 2094 and name HG2# ) ( resid 2050 and name HG2 or resid 2051 and name HB3 or resid 2090 and name HD3 or resid 2090 and name HD2 or resid 2092 and name HG or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2118 and name HB2 or resid 2127 and name HB# ) 2.0 0.5 0.5 volume=2.653 peak=554 ppm1=0.713 ppm2=1.730 assign ( resid 2090 and name HE2 or resid 2090 and name HE3 ) ( resid 2051 and name HB3 or resid 2066 and name HB3 or resid 2075 and name HG or resid 2090 and name HB3 or resid 2090 and name HD3 or resid 2090 and name HD2 or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2136 and name HG or resid 2136 and name HB3 ) 1.7 0.4 0.4 volume=8.086 peak=426 ppm1=3.044 ppm2=1.762 assign ( resid 2063 and name HA or resid 2100 and name HA ) ( resid 2066 and name H or resid 2076 and name H or resid 2103 and name H or resid 2138 and name H ) 2.6 0.8 0.8 volume=0.589 peak=923 ppm1=4.136 ppm2=7.780 assign ( resid 2095 and name HB3 ) ( resid 2078 and name HB3 or resid 2095 and name HB2 or resid 2108 and name HB2 or resid 2133 and name HB3 ) 2.2 0.6 0.6 volume=1.447 peak=83 ppm1=2.697 ppm2=3.276 assign ( resid 2121 and name HB2 ) ( resid 2060 and name HE21 or resid 2117 and name H or resid 2122 and name HD2 ) 2.8 1.0 1.0 volume=0.363 peak=93 ppm1=2.344 ppm2=6.801 assign ( resid 2083 and name HD1# ) ( resid 2068 and name HB# or resid 2083 and name HG13 or resid 2092 and name HG or resid 2127 and name HB# or resid 2128 and name HG or resid 2135 and name HB2 ) 1.9 0.5 0.5 volume=3.517 peak=532 ppm1=0.746 ppm2=1.682 assign ( resid 2119 and name HG2# ) ( resid 2053 and name HA3 or resid 2059 and name HA or resid 2082 and name HB2 or resid 2085 and name HD2 or resid 2116 and name HD3 or resid 2119 and name HA or resid 2133 and name HA or resid 2139 and name HB2 or resid 2139 and name HB3 ) 2.2 0.6 0.6 volume=1.713 peak=478 ppm1=0.289 ppm2=3.862 assign ( resid 2140 and name HB2 ) ( resid 2095 and name H or resid 2110 and name H or resid 2140 and name HE1 or resid 2140 and name H ) 2.7 0.9 0.9 volume=0.460 peak=738 ppm1=3.199 ppm2=8.049 assign ( resid 2127 and name HB# ) ( resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2130 and name H or resid 2131 and name H or resid 2135 and name H ) 2.9 1.1 1.1 volume=0.291 peak=51 ppm1=1.716 ppm2=7.901 assign ( resid 2135 and name HB3 ) ( resid 2062 and name HG2# or resid 2079 and name HG2# or resid 2117 and name HG2# or resid 2132 and name HB3 or resid 2134 and name HG2# or resid 2135 and name HG3 or resid 2135 and name HG2 ) 2.4 0.7 0.7 volume=0.836 peak=392 ppm1=1.641 ppm2=1.189 assign ( resid 2108 and name HB2 ) ( resid 2056 and name HA or resid 2079 and name HB or resid 2092 and name HA or resid 2104 and name HA or resid 2108 and name HA or resid 2120 and name HA or resid 2129 and name HA or resid 2137 and name HA or resid 2138 and name HA ) 2.3 0.6 0.6 volume=1.298 peak=796 ppm1=3.295 ppm2=4.385 assign ( resid 2078 and name HE1 ) ( resid 2071 and name HG2# or resid 2073 and name HG2# or resid 2099 and name HB# or resid 2110 and name HG2# ) 2.8 1.0 1.0 volume=0.336 peak=797 ppm1=7.903 ppm2=1.273 assign ( resid 2049 and name HB2 ) ( resid 2049 and name H or resid 2052 and name H or resid 2065 and name H or resid 2097 and name H or resid 2106 and name H or resid 2134 and name H or resid 2139 and name H ) 3.0 1.2 1.2 volume=0.226 peak=434 ppm1=2.005 ppm2=8.297 assign ( resid 2128 and name HB3 ) ( resid 2054 and name HD2# or resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 3.1 1.2 1.2 volume=0.208 peak=862 ppm1=2.241 ppm2=0.801 assign ( resid 2092 and name HB2 ) ( resid 2089 and name HD# or resid 2091 and name H or resid 2120 and name HZ or resid 2120 and name HD# ) 3.2 1.3 1.3 volume=0.172 peak=960 ppm1=2.121 ppm2=7.176 assign ( resid 2059 and name HG2 ) ( resid 2052 and name HD21 or resid 2059 and name HE22 or resid 2130 and name HE22 ) 3.2 1.3 1.3 volume=0.171 peak=155 ppm1=2.849 ppm2=7.098 assign ( resid 2092 and name HB2 ) ( resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.2 0.6 0.6 volume=1.628 peak=974 ppm1=2.121 ppm2=0.788 assign ( resid 2059 and name HB2 ) ( resid 2059 and name HG3 or resid 2081 and name HG2 or resid 2081 and name HG3 or resid 2116 and name HB3 or resid 2121 and name HB2 or resid 2122 and name HB2 or resid 2123 and name HB2 ) 2.8 1.0 1.0 volume=0.351 peak=123 ppm1=1.838 ppm2=2.344 assign ( resid 2123 and name HA ) ( resid 2049 and name HG2 or resid 2085 and name HB3 or resid 2101 and name HG2 or resid 2123 and name HB3 or resid 2138 and name HG3 or resid 2138 and name HG2 ) 2.2 0.6 0.6 volume=1.390 peak=641 ppm1=5.186 ppm2=2.407 assign ( resid 2065 and name HG2# or resid 2105 and name HG2# or resid 2107 and name HG2# ) ( resid 2109 and name HD22 ) 2.4 0.7 0.7 volume=1.000 peak=235 ppm1=1.318 ppm2=7.436 assign ( resid 2083 and name HG12 ) ( resid 2050 and name HG2 or resid 2068 and name HB# or resid 2083 and name HG13 or resid 2092 and name HG or resid 2127 and name HB# or resid 2135 and name HB2 ) 2.0 0.5 0.5 volume=2.776 peak=526 ppm1=1.459 ppm2=1.685 assign ( resid 2128 and name HB3 ) ( resid 2050 and name HG3 or resid 2068 and name HB# or resid 2083 and name HG13 or resid 2128 and name HG or resid 2135 and name HB3 or resid 2135 and name HB2 ) 2.7 0.9 0.9 volume=0.418 peak=861 ppm1=2.242 ppm2=1.660 assign ( resid 2092 and name HA ) ( resid 2050 and name HG2 or resid 2051 and name HB3 or resid 2083 and name HG13 or resid 2092 and name HG or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2118 and name HB2 or resid 2127 and name HB# or resid 2135 and name HB2 ) 2.4 0.7 0.7 volume=1.018 peak=955 ppm1=4.382 ppm2=1.708 assign ( resid 2093 and name HA2 ) ( resid 2093 and name H or resid 2120 and name H ) 2.4 0.7 0.7 volume=1.021 peak=63 ppm1=4.472 ppm2=7.501 assign ( resid 2071 and name HG2# ) ( resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2094 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 1.6 0.3 0.3 volume=10.895 peak=281 ppm1=1.258 ppm2=0.779 assign ( resid 2120 and name HZ ) ( resid 2056 and name HD2 or resid 2062 and name HA or resid 2065 and name HA or resid 2074 and name HA or resid 2082 and name HB3 or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HA or resid 2087 and name HB or resid 2094 and name HA or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2102 and name HA or resid 2115 and name HD3 or resid 2130 and name HA or resid 2135 and name HA ) 3.4 1.5 1.5 volume=0.109 peak=1093 ppm1=7.139 ppm2=4.002 assign ( resid 2075 and name HB3 ) ( resid 2054 and name HD2# or resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.2 0.6 0.6 volume=1.749 peak=984 ppm1=1.373 ppm2=0.806 assign ( resid 2125 and name HD3 ) ( resid 2052 and name HA or resid 2055 and name HB3 or resid 2082 and name HA or resid 2086 and name HA or resid 2088 and name HA or resid 2093 and name HA2 or resid 2097 and name HA or resid 2124 and name HA or resid 2124 and name HB or resid 2139 and name HA or resid 2140 and name HA ) 2.4 0.7 0.7 volume=1.030 peak=694 ppm1=3.767 ppm2=4.452 assign ( resid 2060 and name HA ) ( resid 2062 and name H or resid 2072 and name H ) 3.6 1.6 1.6 volume=0.086 peak=157 ppm1=3.536 ppm2=8.399 assign ( resid 2119 and name HG2# ) ( resid 2077 and name HD2 or resid 2089 and name HZ or resid 2126 and name HD2 or resid 2138 and name HE22 ) 3.5 1.5 1.5 volume=0.102 peak=475 ppm1=0.290 ppm2=6.913 assign ( resid 2097 and name HD2# ) ( resid 2050 and name HG2 or resid 2051 and name HB3 or resid 2075 and name HG or resid 2090 and name HD3 or resid 2090 and name HD2 or resid 2092 and name HG or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2118 and name HB2 or resid 2127 and name HB# ) 1.7 0.4 0.4 volume=6.780 peak=947 ppm1=1.009 ppm2=1.735 assign ( resid 2050 and name HA ) ( resid 2050 and name H or resid 2051 and name H or resid 2078 and name H or resid 2079 and name H ) 2.5 0.8 0.8 volume=0.673 peak=313 ppm1=4.490 ppm2=8.740 assign ( resid 2128 and name HA ) ( resid 2067 and name HB or resid 2074 and name HB or resid 2101 and name HG3 or resid 2115 and name HG2 or resid 2128 and name HB3 or resid 2130 and name HG3 ) 2.7 0.9 0.9 volume=0.417 peak=854 ppm1=4.086 ppm2=2.244 assign ( resid 2123 and name HG3 ) ( resid 2059 and name HG3 or resid 2081 and name HG2 or resid 2081 and name HG3 or resid 2116 and name HB3 or resid 2121 and name HB2 or resid 2122 and name HB2 or resid 2123 and name HB2 ) 2.4 0.7 0.7 volume=0.832 peak=659 ppm1=1.969 ppm2=2.340 assign ( resid 2090 and name HG3 ) ( resid 2091 and name H or resid 2120 and name HD# ) 2.8 1.0 1.0 volume=0.378 peak=422 ppm1=1.478 ppm2=7.194 assign ( resid 2097 and name HD1# ) ( resid 2050 and name HG2 or resid 2051 and name HB3 or resid 2090 and name HD3 or resid 2090 and name HD2 or resid 2092 and name HG or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2118 and name HB2 or resid 2127 and name HB# ) 1.7 0.4 0.4 volume=6.932 peak=946 ppm1=0.934 ppm2=1.733 assign ( resid 2085 and name HB3 ) ( resid 2063 and name HB2 or resid 2065 and name HG2# or resid 2086 and name HB# or resid 2087 and name HG2# or resid 2102 and name HG or resid 2105 and name HG2# or resid 2107 and name HG2# or resid 2125 and name HG3 ) 2.8 1.0 1.0 volume=0.362 peak=606 ppm1=2.425 ppm2=1.334 assign ( resid 2063 and name HA ) ( resid 2062 and name HG2# or resid 2071 and name HG2# or resid 2079 and name HG2# or resid 2099 and name HB# or resid 2110 and name HG2# or resid 2114 and name HD1# or resid 2117 and name HG2# or resid 2132 and name HB3 or resid 2134 and name HG2# ) 2.7 0.9 0.9 volume=0.429 peak=1027 ppm1=4.126 ppm2=1.228 assign ( resid 2097 and name HD2# ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2049 and name HB3 or resid 2056 and name HB2 or resid 2063 and name HB3 or resid 2080 and name HG2 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG3 or resid 2085 and name HG2 or resid 2097 and name HB2 or resid 2115 and name HB3 or resid 2118 and name HB3 or resid 2123 and name HG2 or resid 2125 and name HB3 or resid 2128 and name HB2 or resid 2130 and name HB3 or resid 2132 and name HB2 or resid 2138 and name HB2 ) 2.0 0.5 0.5 volume=2.629 peak=948 ppm1=1.008 ppm2=2.038 assign ( resid 2128 and name HA ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H or resid 2129 and name H ) 2.6 0.9 0.9 volume=0.526 peak=849 ppm1=4.088 ppm2=8.899 assign ( resid 2118 and name HB3 ) ( resid 2119 and name HD1# ) 3.2 1.3 1.3 volume=0.172 peak=1067 ppm1=2.055 ppm2=0.212 assign ( resid 2059 and name HA ) ( resid 2050 and name HB2 or resid 2054 and name HB3 or resid 2059 and name HB2 or resid 2063 and name HG or resid 2100 and name HG or resid 2102 and name HB2 or resid 2106 and name HG ) 2.5 0.8 0.8 volume=0.795 peak=117 ppm1=3.834 ppm2=1.840 assign ( resid 2135 and name HG3 or resid 2135 and name HG2 ) ( resid 2061 and name H or resid 2082 and name H or resid 2119 and name H or resid 2136 and name H ) 3.1 1.2 1.2 volume=0.200 peak=399 ppm1=1.185 ppm2=8.138 assign ( resid 2119 and name HA ) ( resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2066 and name HG or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 2.3 0.7 0.7 volume=1.100 peak=510 ppm1=3.861 ppm2=1.589 assign ( resid 2065 and name HA ) ( resid 2066 and name H or resid 2076 and name H or resid 2103 and name H or resid 2131 and name HE1 or resid 2133 and name HE1 or resid 2138 and name H ) 2.8 1.0 1.0 volume=0.363 peak=231 ppm1=4.015 ppm2=7.771 assign ( resid 2062 and name HA ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD1# or resid 2063 and name HD2# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 2.9 1.0 1.0 volume=0.323 peak=218 ppm1=3.983 ppm2=0.858 assign ( resid 2125 and name HB2 ) ( resid 2057 and name HE21 or resid 2083 and name H or resid 2086 and name H or resid 2089 and name HE# or resid 2112 and name H or resid 2126 and name HE1 ) 3.4 1.5 1.5 volume=0.112 peak=686 ppm1=2.295 ppm2=7.641 assign ( resid 2136 and name HD1# ) ( resid 2059 and name HE22 ) 3.2 1.2 1.2 volume=0.182 peak=1117 ppm1=0.879 ppm2=7.094 assign ( resid 2098 and name HA ) ( resid 2083 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2094 and name HG2# or resid 2094 and name HD1# or resid 2112 and name HD1# or resid 2119 and name HG13 ) 2.9 1.0 1.0 volume=0.315 peak=244 ppm1=4.081 ppm2=0.751 assign ( resid 2127 and name HB# ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H ) 2.2 0.6 0.6 volume=1.456 peak=50 ppm1=1.716 ppm2=8.892 assign ( resid 2048 and name HB3 ) ( resid 2049 and name H or resid 2052 and name H or resid 2065 and name H or resid 2097 and name H or resid 2106 and name H or resid 2134 and name H or resid 2139 and name H ) 3.4 1.4 1.4 volume=0.115 peak=1124 ppm1=3.049 ppm2=8.287 assign ( resid 2092 and name HA ) ( resid 2072 and name HB# or resid 2075 and name HB3 or resid 2087 and name HG2# or resid 2098 and name HG2# or resid 2103 and name HG2 or resid 2112 and name HG or resid 2125 and name HG3 ) 2.7 0.9 0.9 volume=0.472 peak=953 ppm1=4.380 ppm2=1.377 assign ( resid 2067 and name HB ) ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2068 and name HB# or resid 2128 and name HG or resid 2135 and name HB3 or resid 2135 and name HB2 ) 2.8 1.0 1.0 volume=0.409 peak=449 ppm1=2.261 ppm2=1.648 assign ( resid 2050 and name HD3 or resid 2050 and name HD2 ) ( resid 2050 and name HG2 or resid 2051 and name HB3 or resid 2083 and name HG13 or resid 2092 and name HG or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2118 and name HB2 or resid 2127 and name HB# ) 1.9 0.5 0.5 volume=3.517 peak=326 ppm1=3.222 ppm2=1.715 assign ( resid 2121 and name HB3 ) ( resid 2120 and name HE# or resid 2122 and name HE1 or resid 2122 and name H ) 2.8 1.0 1.0 volume=0.378 peak=97 ppm1=1.905 ppm2=7.319 assign ( resid 2055 and name HB3 ) ( resid 2056 and name HG3 or resid 2057 and name HB3 or resid 2060 and name HB3 or resid 2060 and name HG3 or resid 2061 and name HB2 or resid 2061 and name HB3 or resid 2080 and name HG3 or resid 2080 and name HB2 or resid 2103 and name HB2 or resid 2116 and name HG2 or resid 2116 and name HG3 or resid 2130 and name HG2 or resid 2130 and name HB2 or resid 2138 and name HB3 ) 3.1 1.2 1.2 volume=0.191 peak=1153 ppm1=4.442 ppm2=2.156 assign ( resid 2122 and name HB2 ) ( resid 2050 and name HG2 or resid 2051 and name HB3 or resid 2083 and name HG13 or resid 2092 and name HG or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2118 and name HB2 or resid 2127 and name HB# ) 2.7 0.9 0.9 volume=0.449 peak=1111 ppm1=2.371 ppm2=1.717 assign ( resid 2110 and name HG2# ) ( resid 2054 and name HD2# or resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 1.7 0.3 0.3 volume=8.313 peak=250 ppm1=1.261 ppm2=0.804 assign ( resid 2133 and name HB2 ) ( resid 2133 and name HD2 ) 3.2 1.3 1.3 volume=0.177 peak=755 ppm1=2.984 ppm2=6.648 assign ( resid 2068 and name HB# ) ( resid 2062 and name HB or resid 2066 and name HA or resid 2080 and name HA or resid 2112 and name HA or resid 2117 and name HA or resid 2126 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 2.3 0.7 0.7 volume=1.121 peak=16 ppm1=1.661 ppm2=4.263 assign ( resid 2119 and name HB ) ( resid 2083 and name HD1# or resid 2094 and name HG2# or resid 2094 and name HD1# or resid 2112 and name HD1# or resid 2119 and name HG13 ) 2.4 0.7 0.7 volume=0.903 peak=468 ppm1=1.597 ppm2=0.727 assign ( resid 2059 and name HG3 ) ( resid 2059 and name H ) 2.9 1.1 1.1 volume=0.287 peak=150 ppm1=2.346 ppm2=9.122 assign ( resid 2119 and name HD1# ) ( resid 2049 and name HB3 or resid 2058 and name HB2 or resid 2080 and name HB3 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG3 or resid 2085 and name HG2 or resid 2097 and name HB2 or resid 2103 and name HB3 or resid 2115 and name HB3 or resid 2116 and name HB2 or resid 2118 and name HB3 or resid 2123 and name HG2 or resid 2130 and name HB3 or resid 2132 and name HB2 or resid 2138 and name HB2 ) 2.6 0.9 0.9 volume=0.543 peak=503 ppm1=0.211 ppm2=2.062 assign ( resid 2135 and name HB2 ) ( resid 2061 and name H or resid 2082 and name H or resid 2119 and name H or resid 2136 and name H ) 3.0 1.1 1.1 volume=0.263 peak=380 ppm1=1.681 ppm2=8.139 assign ( resid 2123 and name HG3 ) ( resid 2049 and name HG2 or resid 2085 and name HB3 or resid 2101 and name HG2 or resid 2123 and name HB3 or resid 2138 and name HG3 or resid 2138 and name HG2 ) 2.5 0.8 0.8 volume=0.797 peak=661 ppm1=1.969 ppm2=2.408 assign ( resid 2125 and name HG2 ) ( resid 2064 and name HA or resid 2066 and name HA or resid 2085 and name HA or resid 2098 and name HB or resid 2107 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 2.8 1.0 1.0 volume=0.343 peak=698 ppm1=1.917 ppm2=4.222 assign ( resid 2140 and name HA ) ( resid 2095 and name H or resid 2110 and name H or resid 2140 and name HE1 or resid 2140 and name H ) 2.4 0.7 0.7 volume=0.859 peak=737 ppm1=4.479 ppm2=8.048 assign ( resid 2094 and name HB ) ( resid 2055 and name HB2 or resid 2056 and name HD2 or resid 2065 and name HA or resid 2068 and name HA or resid 2074 and name HA or resid 2082 and name HB3 or resid 2083 and name HA or resid 2087 and name HA or resid 2094 and name HA or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2121 and name HA or resid 2130 and name HA ) 2.7 0.9 0.9 volume=0.467 peak=536 ppm1=1.729 ppm2=4.026 assign ( resid 2103 and name HA ) ( resid 2119 and name HD1# ) 3.2 1.3 1.3 volume=0.175 peak=341 ppm1=3.705 ppm2=0.211 assign ( resid 2059 and name HB2 ) ( resid 2060 and name H or resid 2108 and name H or resid 2121 and name H ) 2.9 1.1 1.1 volume=0.301 peak=132 ppm1=1.834 ppm2=7.981 assign ( resid 2106 and name HB2 ) ( resid 2058 and name HA or resid 2064 and name HA or resid 2070 and name HA or resid 2089 and name HA or resid 2096 and name HA or resid 2098 and name HB or resid 2106 and name HA or resid 2107 and name HA or resid 2110 and name HB or resid 2127 and name HA ) 2.6 0.9 0.9 volume=0.532 peak=879 ppm1=1.092 ppm2=4.181 assign ( resid 2128 and name HD2# ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H or resid 2129 and name H ) 2.6 0.8 0.8 volume=0.633 peak=868 ppm1=1.050 ppm2=8.900 assign ( resid 2057 and name HB3 ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2056 and name HB2 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2063 and name HB3 or resid 2066 and name HB2 or resid 2080 and name HG2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2106 and name HB3 or resid 2123 and name HG3 or resid 2125 and name HB3 or resid 2128 and name HB2 ) 1.6 0.3 0.3 volume=10.027 peak=100 ppm1=2.122 ppm2=1.994 assign ( resid 2100 and name HB2 or resid 2100 and name HB3 ) ( resid 2071 and name HB or resid 2072 and name HA or resid 2080 and name HD2 or resid 2099 and name HA or resid 2103 and name HA or resid 2115 and name HD2 or resid 2123 and name HD2 or resid 2134 and name HA ) 3.5 1.5 1.5 volume=0.104 peak=934 ppm1=1.895 ppm2=3.700 assign ( resid 2092 and name HA ) ( resid 2048 and name HE1 or resid 2052 and name HD22 or resid 2092 and name H or resid 2103 and name H or resid 2104 and name HD22 or resid 2108 and name HE1 ) 2.4 0.7 0.7 volume=0.894 peak=951 ppm1=4.382 ppm2=7.819 assign ( resid 2132 and name HB3 ) ( resid 2054 and name HD2# or resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.1 0.6 0.6 volume=1.868 peak=810 ppm1=1.212 ppm2=0.807 assign ( resid 2135 and name HB3 ) ( resid 2061 and name H or resid 2119 and name H or resid 2136 and name H ) 3.0 1.1 1.1 volume=0.253 peak=381 ppm1=1.643 ppm2=8.140 assign ( resid 2125 and name HG3 ) ( resid 2057 and name HE21 or resid 2083 and name H or resid 2086 and name H or resid 2089 and name HE# or resid 2112 and name H or resid 2126 and name HE1 ) 3.0 1.2 1.2 volume=0.224 peak=723 ppm1=1.342 ppm2=7.640 assign ( resid 2123 and name HA ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2097 and name HD2# or resid 2100 and name HD2# or resid 2100 and name HD1# or resid 2124 and name HG2# or resid 2128 and name HD2# or resid 2128 and name HD1# or resid 2137 and name HG2# ) 3.1 1.2 1.2 volume=0.221 peak=635 ppm1=5.187 ppm2=1.026 assign ( resid 2092 and name HB2 ) ( resid 2050 and name HG2 or resid 2051 and name HB3 or resid 2083 and name HG13 or resid 2092 and name HG or resid 2094 and name HB or resid 2097 and name HG or resid 2097 and name HB3 or resid 2118 and name HB2 or resid 2127 and name HB# ) 2.5 0.8 0.8 volume=0.817 peak=978 ppm1=2.122 ppm2=1.709 assign ( resid 2136 and name HA ) ( resid 2054 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2069 and name HB# or resid 2075 and name HB2 or resid 2088 and name HB# or resid 2090 and name HG2 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2118 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 2.3 0.7 0.7 volume=1.178 peak=830 ppm1=4.239 ppm2=1.569 assign ( resid 2119 and name HA or resid 2133 and name HA ) ( resid 2071 and name HG2# or resid 2073 and name HG2# or resid 2079 and name HG2# or resid 2099 and name HB# or resid 2110 and name HG2# or resid 2114 and name HD1# or resid 2132 and name HB3 or resid 2134 and name HG2# ) 2.9 1.0 1.0 volume=0.314 peak=509 ppm1=3.862 ppm2=1.246 assign ( resid 2135 and name HA ) ( resid 2061 and name H or resid 2119 and name H or resid 2136 and name H ) 2.8 1.0 1.0 volume=0.337 peak=363 ppm1=3.969 ppm2=8.142 assign ( resid 2066 and name HA ) ( resid 2069 and name H or resid 2089 and name H or resid 2132 and name H ) 2.8 1.0 1.0 volume=0.383 peak=997 ppm1=4.238 ppm2=8.636 assign ( resid 2101 and name HB3 or resid 2101 and name HB2 ) ( resid 2068 and name H or resid 2070 and name H or resid 2102 and name H or resid 2113 and name H or resid 2132 and name H ) 2.4 0.7 0.7 volume=0.996 peak=208 ppm1=2.105 ppm2=8.595 assign ( resid 2121 and name HB2 ) ( resid 2053 and name HA2 or resid 2055 and name HB2 or resid 2057 and name HA or resid 2068 and name HA or resid 2069 and name HA or resid 2083 and name HA or resid 2085 and name HD3 or resid 2094 and name HA or resid 2098 and name HA or resid 2118 and name HA or resid 2121 and name HA or resid 2128 and name HA ) 2.4 0.7 0.7 volume=0.946 peak=91 ppm1=2.344 ppm2=4.061 assign ( resid 2054 and name HB2 ) ( resid 2050 and name HB2 or resid 2054 and name HB3 or resid 2059 and name HB2 or resid 2100 and name HB2 or resid 2100 and name HB3 or resid 2102 and name HB2 ) 2.5 0.8 0.8 volume=0.792 peak=1040 ppm1=1.548 ppm2=1.870 assign ( resid 2103 and name HA ) ( resid 2054 and name HD2# or resid 2063 and name HD2# or resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.5 0.8 0.8 volume=0.769 peak=340 ppm1=3.703 ppm2=0.809 assign ( resid 2118 and name HB2 ) ( resid 2067 and name HG2# or resid 2067 and name HG1# or resid 2106 and name HB2 or resid 2112 and name HB2 or resid 2118 and name HD2# or resid 2119 and name HG12 or resid 2129 and name HG2# ) 2.5 0.8 0.8 volume=0.763 peak=1065 ppm1=1.722 ppm2=1.095 assign ( resid 2128 and name HB3 ) ( resid 2053 and name HA2 or resid 2057 and name HA or resid 2061 and name HA or resid 2063 and name HA or resid 2069 and name HA or resid 2076 and name HA3 or resid 2085 and name HD3 or resid 2098 and name HA or resid 2105 and name HA or resid 2111 and name HA3 or resid 2116 and name HA or resid 2118 and name HA or resid 2125 and name HA or resid 2128 and name HA ) 2.7 0.9 0.9 volume=0.495 peak=856 ppm1=2.243 ppm2=4.102 assign ( resid 2093 and name HA3 ) ( resid 2061 and name HE21 or resid 2083 and name H or resid 2086 and name H or resid 2087 and name H or resid 2094 and name H or resid 2101 and name H or resid 2137 and name H or resid 2138 and name HE21 ) 2.7 0.9 0.9 volume=0.483 peak=66 ppm1=3.759 ppm2=7.579 assign ( resid 2118 and name HB3 ) ( resid 2054 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2069 and name HB# or resid 2075 and name HB2 or resid 2088 and name HB# or resid 2090 and name HG2 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2118 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 2.7 0.9 0.9 volume=0.447 peak=1062 ppm1=2.047 ppm2=1.566 assign ( resid 2140 and name HA ) ( resid 2052 and name HD21 or resid 2060 and name HE22 or resid 2108 and name HD2 or resid 2130 and name HE21 or resid 2130 and name HE22 or resid 2140 and name HD2 ) 2.7 0.9 0.9 volume=0.435 peak=740 ppm1=4.480 ppm2=7.061 assign ( resid 2060 and name HA ) ( resid 2061 and name H or resid 2082 and name H or resid 2119 and name H or resid 2136 and name H ) 2.9 1.1 1.1 volume=0.303 peak=158 ppm1=3.537 ppm2=8.110 assign ( resid 2120 and name HA ) ( resid 2119 and name HG2# ) 3.1 1.2 1.2 volume=0.193 peak=1082 ppm1=4.413 ppm2=0.282 assign ( resid 2068 and name HA ) ( resid 2062 and name H or resid 2072 and name H ) 3.2 1.3 1.3 volume=0.178 peak=10 ppm1=4.042 ppm2=8.385 assign ( resid 2067 and name HB ) ( resid 2066 and name H or resid 2076 and name H or resid 2103 and name H or resid 2131 and name HE1 or resid 2133 and name HE1 or resid 2138 and name H ) 3.3 1.4 1.4 volume=0.139 peak=445 ppm1=2.260 ppm2=7.773 assign ( resid 2056 and name HG2 ) ( resid 2056 and name HD2 or resid 2056 and name HD3 or resid 2062 and name HA or resid 2065 and name HA or resid 2074 and name HA or resid 2082 and name HB3 or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HA or resid 2087 and name HB or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2102 and name HA or resid 2115 and name HD3 or resid 2130 and name HA or resid 2135 and name HA ) 2.5 0.8 0.8 volume=0.736 peak=580 ppm1=2.292 ppm2=3.985 assign ( resid 2123 and name HD2 ) ( resid 2123 and name HD3 ) 2.2 0.6 0.6 volume=1.528 peak=666 ppm1=3.667 ppm2=3.419 assign ( resid 2120 and name HA ) ( resid 2061 and name HE21 or resid 2093 and name H or resid 2120 and name H ) 2.5 0.8 0.8 volume=0.747 peak=303 ppm1=4.412 ppm2=7.515 assign ( resid 2059 and name HB2 ) ( resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2066 and name HG or resid 2069 and name HB# or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2118 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 3.5 1.6 1.6 volume=0.090 peak=131 ppm1=1.842 ppm2=1.584 assign ( resid 2083 and name HB ) ( resid 2053 and name HA2 or resid 2055 and name HB2 or resid 2056 and name HD2 or resid 2065 and name HA or resid 2068 and name HA or resid 2083 and name HA or resid 2085 and name HD3 or resid 2087 and name HA or resid 2094 and name HA or resid 2096 and name HB3 or resid 2118 and name HA or resid 2121 and name HA ) 2.5 0.8 0.8 volume=0.680 peak=521 ppm1=2.198 ppm2=4.037 assign ( resid 2094 and name HG2# ) ( resid 2095 and name H or resid 2110 and name H or resid 2140 and name HE1 or resid 2140 and name H ) 2.3 0.7 0.7 volume=1.165 peak=552 ppm1=0.713 ppm2=8.054 assign ( resid 2059 and name HB2 ) ( resid 2054 and name H or resid 2059 and name HE21 or resid 2109 and name HD22 ) 3.6 1.6 1.6 volume=0.079 peak=133 ppm1=1.835 ppm2=7.411 assign ( resid 2090 and name HG2 ) ( resid 2091 and name HA or resid 2109 and name HA or resid 2113 and name HA ) 3.4 1.4 1.4 volume=0.123 peak=419 ppm1=1.541 ppm2=4.633 assign ( resid 2063 and name HB2 ) ( resid 2058 and name H or resid 2063 and name H or resid 2074 and name H or resid 2078 and name HE1 or resid 2114 and name H or resid 2131 and name H or resid 2135 and name H ) 2.7 0.9 0.9 volume=0.483 peak=1017 ppm1=1.326 ppm2=7.938 assign ( resid 2075 and name HA ) ( resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HB2 or resid 2054 and name HG or resid 2064 and name HB# or resid 2066 and name HG or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2119 and name HB or resid 2136 and name HB2 ) 2.4 0.7 0.7 volume=0.867 peak=1138 ppm1=4.323 ppm2=1.593 assign ( resid 2051 and name HA ) ( resid 2054 and name HD1# or resid 2054 and name HD2# or resid 2063 and name HD1# or resid 2063 and name HD2# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 1.8 0.4 0.4 volume=4.974 peak=2 ppm1=4.518 ppm2=0.861 assign ( resid 2133 and name HD2 ) ( resid 2057 and name H or resid 2068 and name H or resid 2070 and name H or resid 2105 and name H or resid 2113 and name H or resid 2133 and name H ) 3.5 1.5 1.5 volume=0.100 peak=759 ppm1=6.651 ppm2=8.555 assign ( resid 2115 and name HG3 ) ( resid 2079 and name HA or resid 2114 and name HA or resid 2115 and name HA ) 3.3 1.3 1.3 volume=0.148 peak=625 ppm1=1.914 ppm2=4.938 assign ( resid 2128 and name HG ) ( resid 2067 and name HB or resid 2074 and name HB or resid 2115 and name HG2 or resid 2128 and name HB3 or resid 2130 and name HG3 ) 2.7 0.9 0.9 volume=0.450 peak=864 ppm1=1.649 ppm2=2.237 assign ( resid 2062 and name HG2# ) ( resid 2056 and name HD2 or resid 2056 and name HD3 or resid 2062 and name HA or resid 2065 and name HA or resid 2074 and name HA or resid 2082 and name HB3 or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HA or resid 2087 and name HB or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2102 and name HA or resid 2115 and name HD3 or resid 2130 and name HA or resid 2135 and name HA ) 2.0 0.5 0.5 volume=2.673 peak=209 ppm1=1.204 ppm2=3.985 assign ( resid 2121 and name HB2 ) ( resid 2054 and name HB3 or resid 2100 and name HB2 or resid 2100 and name HB3 or resid 2115 and name HG3 or resid 2121 and name HB3 or resid 2125 and name HG2 ) 2.2 0.6 0.6 volume=1.516 peak=89 ppm1=2.343 ppm2=1.905 assign ( resid 2112 and name HB2 ) ( resid 2072 and name HB# or resid 2075 and name HB3 or resid 2094 and name HG12 or resid 2098 and name HG2# or resid 2103 and name HG2 or resid 2112 and name HG or resid 2114 and name HB3 ) 2.6 0.9 0.9 volume=0.528 peak=876 ppm1=1.067 ppm2=1.410 assign ( resid 2066 and name HA ) ( resid 2068 and name H or resid 2070 and name H or resid 2102 and name H or resid 2113 and name H or resid 2132 and name H or resid 2133 and name H ) 2.9 1.0 1.0 volume=0.308 peak=998 ppm1=4.238 ppm2=8.581 assign ( resid 2128 and name HA ) ( resid 2068 and name HB# or resid 2083 and name HG13 or resid 2092 and name HG or resid 2128 and name HG or resid 2135 and name HB2 ) 2.8 0.9 0.9 volume=0.415 peak=855 ppm1=4.087 ppm2=1.676 assign ( resid 2071 and name HA ) ( resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2094 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.4 0.7 0.7 volume=1.042 peak=277 ppm1=4.331 ppm2=0.783 assign ( resid 2051 and name HB3 ) ( resid 2054 and name HD1# or resid 2063 and name HD1# or resid 2066 and name HD2# or resid 2136 and name HD1# ) 2.0 0.5 0.5 volume=2.756 peak=1051 ppm1=1.735 ppm2=0.871 assign ( resid 2134 and name HA ) ( resid 2066 and name H or resid 2076 and name H or resid 2131 and name HE1 or resid 2133 and name HE1 or resid 2138 and name H ) 3.4 1.5 1.5 volume=0.110 peak=301 ppm1=3.707 ppm2=7.741 assign ( resid 2136 and name HD1# ) ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HG or resid 2066 and name HG or resid 2075 and name HB2 or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HB2 or resid 2114 and name HG or resid 2119 and name HB or resid 2135 and name HB3 or resid 2136 and name HB2 ) 1.7 0.4 0.4 volume=7.879 peak=847 ppm1=0.880 ppm2=1.612 assign ( resid 2090 and name HG3 ) ( resid 2091 and name HA or resid 2109 and name HA or resid 2113 and name HA ) 3.3 1.4 1.4 volume=0.135 peak=420 ppm1=1.478 ppm2=4.630 assign ( resid 2075 and name HD1# ) ( resid 2051 and name HB3 or resid 2066 and name HB3 or resid 2075 and name HG or resid 2090 and name HB3 or resid 2090 and name HD3 or resid 2090 and name HD2 or resid 2097 and name HG or resid 2097 and name HB3 or resid 2136 and name HG or resid 2136 and name HB3 ) 2.1 0.5 0.5 volume=2.397 peak=989 ppm1=0.796 ppm2=1.766 assign ( resid 2120 and name HB3 ) ( resid 2055 and name HB3 or resid 2056 and name HA or resid 2079 and name HB or resid 2082 and name HA or resid 2092 and name HA or resid 2097 and name HA or resid 2104 and name HA or resid 2108 and name HA or resid 2120 and name HA or resid 2129 and name HA or resid 2137 and name HA or resid 2138 and name HA ) 2.4 0.7 0.7 volume=1.047 peak=1083 ppm1=3.214 ppm2=4.408 assign ( resid 2059 and name HB2 ) ( resid 2059 and name H ) 2.9 1.1 1.1 volume=0.276 peak=134 ppm1=1.834 ppm2=9.120 assign ( resid 2125 and name HA ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2049 and name HB3 or resid 2056 and name HB2 or resid 2063 and name HB3 or resid 2080 and name HG2 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG3 or resid 2085 and name HG2 or resid 2097 and name HB2 or resid 2115 and name HB3 or resid 2118 and name HB3 or resid 2125 and name HB3 or resid 2128 and name HB2 or resid 2130 and name HB3 or resid 2132 and name HB2 ) 2.6 0.8 0.8 volume=0.609 peak=679 ppm1=4.117 ppm2=2.030 assign ( resid 2125 and name HB2 ) ( resid 2049 and name HE# or resid 2049 and name HB2 or resid 2049 and name HB3 or resid 2056 and name HB2 or resid 2080 and name HG2 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG3 or resid 2085 and name HG2 or resid 2097 and name HB2 or resid 2115 and name HB3 or resid 2118 and name HB3 or resid 2123 and name HG2 or resid 2125 and name HB3 or resid 2128 and name HB2 or resid 2130 and name HB3 or resid 2132 and name HB2 or resid 2138 and name HB2 ) 2.3 0.7 0.7 volume=1.161 peak=683 ppm1=2.298 ppm2=2.041 assign ( resid 2103 and name HA ) ( resid 2050 and name HB3 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2060 and name HG2 or resid 2066 and name HB2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2106 and name HB3 or resid 2123 and name HG3 ) 2.5 0.8 0.8 volume=0.713 peak=335 ppm1=3.703 ppm2=1.966 assign ( resid 2102 and name HD2# ) ( resid 2066 and name H or resid 2076 and name H or resid 2103 and name H or resid 2138 and name H ) 2.9 1.0 1.0 volume=0.303 peak=915 ppm1=0.490 ppm2=7.782 assign ( resid 2085 and name HD3 ) ( resid 2064 and name HA or resid 2066 and name HA or resid 2085 and name HA or resid 2098 and name HB or resid 2107 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 3.1 1.2 1.2 volume=0.193 peak=607 ppm1=4.069 ppm2=4.219 assign ( resid 2102 and name HG ) ( resid 2050 and name HB2 or resid 2059 and name HB2 or resid 2063 and name HG or resid 2100 and name HG or resid 2102 and name HB2 or resid 2106 and name HG ) 2.3 0.7 0.7 volume=1.152 peak=911 ppm1=1.315 ppm2=1.836 assign ( resid 2097 and name HD1# ) ( resid 2049 and name H or resid 2052 and name H or resid 2065 and name H or resid 2097 and name H or resid 2106 and name H or resid 2134 and name H or resid 2139 and name H ) 2.6 0.8 0.8 volume=0.580 peak=945 ppm1=0.934 ppm2=8.288 assign ( resid 2103 and name HB3 ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H ) 3.1 1.2 1.2 volume=0.209 peak=343 ppm1=2.089 ppm2=8.885 assign ( resid 2102 and name HG ) ( resid 2056 and name HD2 or resid 2056 and name HD3 or resid 2062 and name HA or resid 2074 and name HA or resid 2080 and name HD3 or resid 2082 and name HB3 or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HA or resid 2087 and name HB or resid 2096 and name HB2 or resid 2102 and name HA or resid 2115 and name HD3 or resid 2130 and name HA or resid 2135 and name HA ) 2.7 0.9 0.9 volume=0.441 peak=909 ppm1=1.313 ppm2=3.977 assign ( resid 2125 and name HG3 ) ( resid 2066 and name HD1# or resid 2075 and name HD2# or resid 2075 and name HD1# or resid 2083 and name HD1# or resid 2083 and name HG2# or resid 2092 and name HD1# or resid 2102 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.4 0.7 0.7 volume=1.045 peak=713 ppm1=1.360 ppm2=0.784 assign ( resid 2124 and name HG2# ) ( resid 2127 and name H ) 2.9 1.0 1.0 volume=0.329 peak=289 ppm1=1.018 ppm2=8.440 assign ( resid 2099 and name HA ) ( resid 2071 and name HG2# or resid 2073 and name HG2# or resid 2079 and name HG2# or resid 2099 and name HB# or resid 2110 and name HG2# or resid 2114 and name HD1# or resid 2134 and name HG2# ) 2.0 0.5 0.5 volume=3.192 peak=23 ppm1=3.702 ppm2=1.256 assign ( resid 2131 and name HD2 ) ( resid 2059 and name HG2 or resid 2089 and name HB3 or resid 2091 and name HB3 or resid 2091 and name HB2 or resid 2109 and name HB2 or resid 2131 and name HB2 ) 3.3 1.3 1.3 volume=0.148 peak=788 ppm1=6.054 ppm2=2.857 assign ( resid 2066 and name HB3 ) ( resid 2062 and name HB or resid 2064 and name HA or resid 2066 and name HA or resid 2080 and name HA or resid 2085 and name HA or resid 2098 and name HB or resid 2117 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 2.3 0.7 0.7 volume=1.245 peak=999 ppm1=1.793 ppm2=4.234 assign ( resid 2125 and name HG2 ) ( resid 2053 and name HA2 or resid 2057 and name HA or resid 2061 and name HA or resid 2063 and name HA or resid 2069 and name HA or resid 2076 and name HA3 or resid 2085 and name HD3 or resid 2098 and name HA or resid 2105 and name HA or resid 2111 and name HA3 or resid 2116 and name HA or resid 2118 and name HA or resid 2125 and name HA or resid 2128 and name HA ) 2.8 1.0 1.0 volume=0.342 peak=699 ppm1=1.917 ppm2=4.101 assign ( resid 2098 and name HG2# ) ( resid 2049 and name HB3 or resid 2057 and name HB3 or resid 2058 and name HB2 or resid 2060 and name HB3 or resid 2080 and name HB3 or resid 2092 and name HB2 or resid 2101 and name HB3 or resid 2101 and name HB2 or resid 2103 and name HB3 or resid 2116 and name HB2 or resid 2123 and name HG2 or resid 2132 and name HG or resid 2138 and name HB2 ) 2.3 0.7 0.7 volume=1.165 peak=243 ppm1=1.394 ppm2=2.093 assign ( resid 2123 and name HD2 ) ( resid 2049 and name HB3 or resid 2058 and name HB2 or resid 2080 and name HB3 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2085 and name HG3 or resid 2085 and name HG2 or resid 2097 and name HB2 or resid 2103 and name HB3 or resid 2115 and name HB3 or resid 2116 and name HB2 or resid 2118 and name HB3 or resid 2123 and name HG2 or resid 2130 and name HB3 or resid 2132 and name HB2 or resid 2138 and name HB2 ) 2.4 0.7 0.7 volume=0.839 peak=672 ppm1=3.669 ppm2=2.068 assign ( resid 2060 and name HB3 ) ( resid 2060 and name HA or resid 2067 and name HA or resid 2129 and name HB or resid 2132 and name HA ) 2.3 0.7 0.7 volume=1.226 peak=170 ppm1=2.115 ppm2=3.533 assign ( resid 2086 and name HB# ) ( resid 2056 and name HD2 or resid 2062 and name HA or resid 2065 and name HA or resid 2074 and name HA or resid 2082 and name HB3 or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HA or resid 2087 and name HB or resid 2094 and name HA or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2102 and name HA or resid 2115 and name HD3 or resid 2130 and name HA or resid 2135 and name HA ) 2.4 0.7 0.7 volume=0.957 peak=34 ppm1=1.334 ppm2=3.996 assign ( resid 2122 and name HB2 ) ( resid 2122 and name HB3 ) 2.4 0.7 0.7 volume=1.039 peak=1109 ppm1=2.371 ppm2=3.161 assign ( resid 2103 and name HB2 ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H or resid 2128 and name H ) 3.0 1.2 1.2 volume=0.228 peak=342 ppm1=2.161 ppm2=8.885 assign ( resid 2050 and name HB3 ) ( resid 2050 and name HG3 or resid 2051 and name HG or resid 2051 and name HB2 or resid 2054 and name HG or resid 2066 and name HG or resid 2092 and name HB3 or resid 2112 and name HB3 or resid 2114 and name HG or resid 2119 and name HB or resid 2128 and name HG or resid 2135 and name HB3 ) 2.2 0.6 0.6 volume=1.592 peak=322 ppm1=1.939 ppm2=1.625 assign ( resid 2115 and name HG3 ) ( resid 2056 and name HD2 or resid 2056 and name HD3 or resid 2062 and name HA or resid 2065 and name HA or resid 2074 and name HA or resid 2082 and name HB3 or resid 2084 and name HB3 or resid 2084 and name HB2 or resid 2087 and name HA or resid 2087 and name HB or resid 2096 and name HB2 or resid 2096 and name HB3 or resid 2102 and name HA or resid 2115 and name HD3 or resid 2130 and name HA or resid 2135 and name HA ) 2.6 0.8 0.8 volume=0.589 peak=623 ppm1=1.918 ppm2=3.988 assign ( resid 2128 and name HA ) ( resid 2057 and name HE21 or resid 2086 and name H or resid 2089 and name HE# or resid 2112 and name H or resid 2126 and name HE1 ) 3.5 1.6 1.6 volume=0.092 peak=852 ppm1=4.085 ppm2=7.643 assign ( resid 2090 and name HG3 ) ( resid 2050 and name HB3 or resid 2057 and name HB2 or resid 2060 and name HB2 or resid 2060 and name HG2 or resid 2063 and name HB3 or resid 2066 and name HB2 or resid 2085 and name HB2 or resid 2090 and name HB2 or resid 2103 and name HG3 or resid 2106 and name HB3 or resid 2123 and name HG3 ) 2.3 0.6 0.6 volume=1.372 peak=416 ppm1=1.479 ppm2=1.969 assign ( resid 2116 and name HB2 ) ( resid 2060 and name HE21 or resid 2117 and name H or resid 2122 and name HD2 ) 3.0 1.1 1.1 volume=0.261 peak=729 ppm1=2.089 ppm2=6.822 assign ( resid 2137 and name HG2# ) ( resid 2062 and name HB or resid 2064 and name HA or resid 2066 and name HA or resid 2080 and name HA or resid 2085 and name HA or resid 2098 and name HB or resid 2117 and name HA or resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA or resid 2137 and name HB ) 1.9 0.4 0.4 volume=3.993 peak=272 ppm1=0.999 ppm2=4.243
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