NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
600556 | 5hv8 | 30006 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
# Restraints file 1: oct_restraints_160126.tbl assign ( resid 2120 and name HB2 ) ( resid 2121 and name H ) 2.7 0.9 0.9 volume=3453588.500 peak=1436 ppm1=2.982 ppm2=7.998 assign ( resid 2059 and name H ) ( resid 2058 and name H ) 2.5 0.8 0.8 volume=577016.625 peak=44 ppm1=9.115 ppm2=7.954 assign ( resid 2062 and name H ) ( resid 2062 and name HA ) 2.7 0.9 0.9 volume=389674.688 peak=61 ppm1=8.396 ppm2=3.993 assign ( resid 2063 and name HB2 ) ( resid 2063 and name HB3 ) 2.2 0.6 0.6 volume=11805708.000 peak=1833 ppm1=2.002 ppm2=1.320 assign ( resid 2083 and name HB ) ( resid 2068 and name HB# or resid 2083 and name HG12 ) 2.2 0.6 0.6 volume=12994326.000 peak=920 ppm1=2.199 ppm2=1.669 assign ( resid 2101 and name HB2 or resid 2101 and name HB3 ) ( resid 2104 and name HB3 ) 3.2 1.3 1.3 volume=1282027.750 peak=644 ppm1=2.098 ppm2=2.857 assign ( resid 2089 and name HD# ) ( resid 2102 and name HD1# or resid 2119 and name HG2# ) 2.7 0.9 0.9 volume=3859625.250 peak=1049 ppm1=7.147 ppm2=0.426 assign ( resid 2115 and name HB2 ) ( resid 2115 and name HD2 or resid 2116 and name HD3 ) 2.5 0.8 0.8 volume=6056584.000 peak=1914 ppm1=2.447 ppm2=3.930 assign ( resid 2122 and name HB3 ) ( resid 2122 and name HD2 ) 3.1 1.2 1.2 volume=1555647.500 peak=1459 ppm1=2.375 ppm2=6.833 assign ( resid 2109 and name HB3 ) ( resid 2110 and name H ) 3.1 1.2 1.2 volume=1843401.125 peak=1337 ppm1=2.695 ppm2=7.997 assign ( resid 2092 and name HG ) ( resid 2089 and name HD# ) 3.2 1.2 1.2 volume=1525979.250 peak=1900 ppm1=1.711 ppm2=7.182 assign ( resid 2067 and name H ) ( resid 2067 and name HG1# ) 2.3 0.7 0.7 volume=926153.375 peak=91 ppm1=8.811 ppm2=1.079 assign ( resid 2124 and name H ) ( resid 2089 and name HA or resid 2125 and name HA or resid 2128 and name HA ) 3.0 1.2 1.2 volume=172208.828 peak=370 ppm1=7.441 ppm2=4.138 assign ( resid 2126 and name HB3 ) ( resid 2085 and name HB2 ) 2.9 1.0 1.0 volume=2628884.500 peak=1519 ppm1=2.893 ppm2=2.417 assign ( resid 2055 and name H ) ( resid 2054 and name HD2# or resid 2054 and name HD1# ) 2.8 1.0 1.0 volume=296865.406 peak=31 ppm1=9.045 ppm2=0.837 assign ( resid 2071 and name HB ) ( resid 2071 and name H ) 2.5 0.8 0.8 volume=5548849.000 peak=780 ppm1=3.694 ppm2=8.199 assign ( resid 2059 and name HA ) ( resid 2059 and name HG3 ) 2.8 1.0 1.0 volume=3079062.750 peak=1767 ppm1=3.829 ppm2=2.836 assign ( resid 2128 and name HD1# ) ( resid 2128 and name H or resid 2129 and name H ) 2.7 0.9 0.9 volume=4172259.000 peak=1551 ppm1=1.005 ppm2=8.886 assign ( resid 2054 and name HD1# ) ( resid 2055 and name H ) 2.6 0.9 0.9 volume=4547959.000 peak=843 ppm1=0.821 ppm2=9.048 assign ( resid 2129 and name HB ) ( resid 2130 and name H ) 2.9 1.0 1.0 volume=2576356.250 peak=1581 ppm1=3.540 ppm2=7.896 assign ( resid 2121 and name HB2 ) ( resid 2122 and name H ) 2.8 1.0 1.0 volume=2798601.250 peak=1448 ppm1=2.348 ppm2=7.313 assign ( resid 2058 and name HB2 ) ( resid 2055 and name H or resid 2059 and name H ) 2.9 1.0 1.0 volume=2779090.000 peak=628 ppm1=2.457 ppm2=9.078 assign ( resid 2131 and name HB2 ) ( resid 2131 and name H ) 2.5 0.8 0.8 volume=5506183.000 peak=1594 ppm1=2.844 ppm2=7.921 assign ( resid 2129 and name H ) ( resid 2130 and name H ) 2.7 0.9 0.9 volume=378754.188 peak=379 ppm1=8.918 ppm2=7.894 assign ( resid 2117 and name H ) ( resid 2117 and name HG2# ) 2.4 0.7 0.7 volume=660968.188 peak=343 ppm1=6.737 ppm2=1.162 assign ( resid 2058 and name HB3 or resid 2081 and name HB3 or resid 2101 and name HB2 or resid 2138 and name HB3 or resid 2138 and name HB2 ) ( resid 2058 and name HG2 or resid 2058 and name HB2 or resid 2081 and name HG3 or resid 2101 and name HG2 or resid 2138 and name HG3 or resid 2138 and name HG2 ) 1.7 0.3 0.3 volume=70106224.000 peak=1217 ppm1=2.085 ppm2=2.415 assign ( resid 2094 and name H ) ( resid 2075 and name HD1# or resid 2094 and name HG2# or resid 2094 and name HD1# ) 2.5 0.8 0.8 volume=534845.875 peak=208 ppm1=7.535 ppm2=0.759 assign ( resid 2137 and name HA ) ( resid 2138 and name H ) 2.8 1.0 1.0 volume=3360982.250 peak=1724 ppm1=4.369 ppm2=7.739 assign ( resid 2097 and name H ) ( resid 2097 and name HD2# or resid 2097 and name HD1# ) 2.8 0.9 0.9 volume=312494.750 peak=222 ppm1=8.240 ppm2=0.953 assign ( resid 2136 and name HB3 ) ( resid 2136 and name H ) 2.5 0.8 0.8 volume=5760230.000 peak=1717 ppm1=1.783 ppm2=8.138 assign ( resid 2126 and name HA ) ( resid 2129 and name H ) 3.0 1.1 1.1 volume=2175632.000 peak=1515 ppm1=4.273 ppm2=8.923 assign ( resid 2123 and name HD3 ) ( resid 2123 and name HD2 ) 2.2 0.6 0.6 volume=14736091.000 peak=1480 ppm1=3.406 ppm2=3.649 assign ( resid 2074 and name HB ) ( resid 2098 and name HG2# ) 2.4 0.7 0.7 volume=7998987.500 peak=815 ppm1=2.202 ppm2=1.391 assign ( resid 2133 and name HD2 ) ( resid 2133 and name H ) 3.5 1.5 1.5 volume=831927.375 peak=1660 ppm1=6.636 ppm2=8.539 assign ( resid 2066 and name H ) ( resid 2066 and name HB2 ) 2.5 0.8 0.8 volume=560368.000 peak=87 ppm1=7.757 ppm2=1.792 assign ( resid 2112 and name HB2 ) ( resid 2112 and name HG ) 2.6 0.9 0.9 volume=4591306.000 peak=1364 ppm1=1.063 ppm2=1.413 assign ( resid 2095 and name HB3 ) ( resid 2097 and name H ) 3.6 1.6 1.6 volume=739663.312 peak=1142 ppm1=2.680 ppm2=8.227 assign ( resid 2118 and name HB3 ) ( resid 2118 and name HA ) 2.8 1.0 1.0 volume=2909060.500 peak=1396 ppm1=2.055 ppm2=4.081 assign ( resid 2059 and name HA ) ( resid 2054 and name HD2# or resid 2063 and name HD1# ) 2.1 0.6 0.6 volume=15939051.000 peak=1782 ppm1=3.827 ppm2=0.855 assign ( resid 2132 and name H ) ( resid 2131 and name HB3 ) 3.0 1.1 1.1 volume=199977.891 peak=391 ppm1=8.601 ppm2=2.531 assign ( resid 2083 and name HD1# ) ( resid 2080 and name HA ) 2.3 0.7 0.7 volume=10356352.000 peak=939 ppm1=0.744 ppm2=4.293 assign ( resid 2048 and name HD2 ) ( resid 2048 and name HA ) 3.3 1.4 1.4 volume=1100517.375 peak=1874 ppm1=6.950 ppm2=4.739 assign ( resid 2087 and name HG2# ) ( resid 2088 and name H ) 2.2 0.6 0.6 volume=13405303.000 peak=995 ppm1=1.362 ppm2=8.773 assign ( resid 2078 and name HB2 ) ( resid 2072 and name HB# ) 2.5 0.8 0.8 volume=6642039.500 peak=1943 ppm1=3.100 ppm2=1.396 assign ( resid 2083 and name HD1# ) ( resid 2078 and name HD2 ) 3.2 1.3 1.3 volume=1359208.125 peak=1946 ppm1=0.745 ppm2=6.932 assign ( resid 2080 and name HD2 ) ( resid 2079 and name HG2# ) 2.6 0.9 0.9 volume=4469318.500 peak=896 ppm1=3.717 ppm2=1.217 assign ( resid 2081 and name HB3 or resid 2081 and name HB2 ) ( resid 2081 and name HG2 or resid 2081 and name HG3 ) 1.8 0.4 0.4 volume=46562628.000 peak=907 ppm1=2.037 ppm2=2.312 assign ( resid 2114 and name HD1# ) ( resid 2114 and name HA ) 2.8 1.0 1.0 volume=3018074.500 peak=870 ppm1=1.221 ppm2=4.929 assign ( resid 2062 and name HB ) ( resid 2062 and name H ) 2.3 0.7 0.7 volume=10089548.000 peak=1668 ppm1=4.258 ppm2=8.372 assign ( resid 2091 and name H ) ( resid 2090 and name HB2 ) 2.5 0.8 0.8 volume=526576.812 peak=190 ppm1=7.179 ppm2=1.734 assign ( resid 2059 and name HG2 ) ( resid 2054 and name HD2# or resid 2063 and name HD1# ) 2.4 0.7 0.7 volume=7565091.500 peak=1778 ppm1=2.340 ppm2=0.857 assign ( resid 2125 and name HD3 ) ( resid 2125 and name HG3 ) 2.8 1.0 1.0 volume=3108744.750 peak=1507 ppm1=2.538 ppm2=1.328 assign ( resid 2094 and name HD1# ) ( resid 2095 and name H ) 2.6 0.8 0.8 volume=5367979.000 peak=1126 ppm1=0.738 ppm2=8.001 assign ( resid 2084 and name HB2 or resid 2084 and name HB3 ) ( resid 2083 and name HG2# or resid 2092 and name HD2# ) 2.5 0.8 0.8 volume=5619422.000 peak=955 ppm1=3.976 ppm2=0.771 assign ( resid 2062 and name HB or resid 2098 and name HB or resid 2105 and name HB ) ( resid 2063 and name HD1# or resid 2075 and name HD2# or resid 2094 and name HD1# or resid 2106 and name HD1# ) 2.2 0.6 0.6 volume=11629317.000 peak=1672 ppm1=4.256 ppm2=0.843 assign ( resid 2115 and name HB2 ) ( resid 2115 and name HA ) 3.0 1.2 1.2 volume=1910637.250 peak=1903 ppm1=2.443 ppm2=4.922 assign ( resid 2094 and name HD1# ) ( resid 2094 and name H ) 2.6 0.8 0.8 volume=5258799.500 peak=1124 ppm1=0.739 ppm2=7.535 assign ( resid 2128 and name HD1# ) ( resid 2125 and name HA or resid 2128 and name HA ) 2.5 0.8 0.8 volume=6555203.500 peak=1548 ppm1=1.005 ppm2=4.099 assign ( resid 2093 and name H ) ( resid 2093 and name HA2 ) 2.3 0.7 0.7 volume=823551.875 peak=203 ppm1=7.487 ppm2=3.760 assign ( resid 2087 and name H ) ( resid 2086 and name HB# or resid 2087 and name HG2# ) 2.4 0.7 0.7 volume=673428.250 peak=168 ppm1=7.559 ppm2=1.339 assign ( resid 2109 and name HB2 ) ( resid 2109 and name HD21 ) 2.9 1.1 1.1 volume=2501772.500 peak=1338 ppm1=2.843 ppm2=7.435 assign ( resid 2099 and name HA ) ( resid 2094 and name HG2# or resid 2119 and name HG12 ) 2.1 0.6 0.6 volume=15326309.000 peak=799 ppm1=3.742 ppm2=0.763 assign ( resid 2075 and name H ) ( resid 2075 and name HD1# or resid 2075 and name HD2# ) 2.6 0.8 0.8 volume=492521.656 peak=135 ppm1=7.667 ppm2=0.779 assign ( resid 2091 and name HB3 or resid 2091 and name HB2 ) ( resid 2088 and name HB# ) 2.5 0.8 0.8 volume=5498026.000 peak=1073 ppm1=2.826 ppm2=1.531 assign ( resid 2085 and name HB2 ) ( resid 2126 and name HB3 ) 2.6 0.8 0.8 volume=4915530.000 peak=980 ppm1=2.415 ppm2=2.916 assign ( resid 2085 and name HD3 ) ( resid 2084 and name HA ) 2.8 1.0 1.0 volume=2797752.750 peak=969 ppm1=4.067 ppm2=4.868 assign ( resid 2050 and name HD3 or resid 2050 and name HD2 ) ( resid 2050 and name HB3 ) 2.2 0.6 0.6 volume=14542501.000 peak=566 ppm1=3.212 ppm2=1.846 assign ( resid 2089 and name HD# ) ( resid 2089 and name H ) 3.1 1.2 1.2 volume=1837714.500 peak=1023 ppm1=7.147 ppm2=8.665 assign ( resid 2062 and name HB or resid 2073 and name HB or resid 2107 and name HB ) ( resid 2063 and name H or resid 2074 and name H or resid 2108 and name H ) 2.2 0.6 0.6 volume=13269342.000 peak=805 ppm1=4.352 ppm2=7.913 assign ( resid 2059 and name H ) ( resid 2056 and name HA ) 3.1 1.2 1.2 volume=161925.219 peak=430 ppm1=9.117 ppm2=4.379 assign ( resid 2074 and name H ) ( resid 2073 and name HA or resid 2074 and name HA ) 2.3 0.6 0.6 volume=1027026.000 peak=130 ppm1=7.915 ppm2=3.979 assign ( resid 2085 and name HD3 ) ( resid 2085 and name HD2 ) 2.2 0.6 0.6 volume=14299234.000 peak=967 ppm1=4.065 ppm2=3.822 assign ( resid 2068 and name HA ) ( resid 2071 and name HG2# ) 2.8 1.0 1.0 volume=3078863.500 peak=743 ppm1=4.034 ppm2=1.247 assign ( resid 2111 and name H ) ( resid 2111 and name HA3 ) 2.5 0.8 0.8 volume=570387.750 peak=323 ppm1=8.211 ppm2=3.806 assign ( resid 2080 and name HB3 or resid 2116 and name HB3 ) ( resid 2069 and name HA or resid 2116 and name HA ) 2.2 0.6 0.6 volume=12960269.000 peak=1925 ppm1=2.060 ppm2=4.075 assign ( resid 2103 and name HD2 ) ( resid 2106 and name HD2# or resid 2114 and name HD2# or resid 2118 and name HD1# or resid 2119 and name HG12 ) 3.0 1.2 1.2 volume=1860341.125 peak=1889 ppm1=3.055 ppm2=0.903 assign ( resid 2117 and name HA ) ( resid 2117 and name H ) 2.7 0.9 0.9 volume=3631171.000 peak=478 ppm1=4.208 ppm2=6.747 assign ( resid 2090 and name HB2 ) ( resid 2090 and name HG3 or resid 2090 and name HG2 ) 2.0 0.5 0.5 volume=27090624.000 peak=1065 ppm1=1.749 ppm2=1.511 assign ( resid 2058 and name HB3 or resid 2101 and name HB3 ) ( resid 2058 and name HA or resid 2101 and name HA ) 1.9 0.5 0.5 volume=30406658.000 peak=636 ppm1=2.090 ppm2=4.132 assign ( resid 2067 and name H ) ( resid 2068 and name H ) 2.6 0.8 0.8 volume=446952.594 peak=101 ppm1=8.811 ppm2=8.583 assign ( resid 2123 and name HG3 ) ( resid 2123 and name HB2 or resid 2123 and name HB3 ) 2.2 0.6 0.6 volume=14304636.000 peak=1492 ppm1=1.945 ppm2=2.340 assign ( resid 2098 and name HB ) ( resid 2074 and name HB ) 2.6 0.9 0.9 volume=4475902.500 peak=1171 ppm1=4.201 ppm2=2.189 assign ( resid 2131 and name HB2 ) ( resid 2131 and name HA ) 2.8 1.0 1.0 volume=2860877.750 peak=1602 ppm1=2.848 ppm2=4.253 assign ( resid 2102 and name HD1# ) ( resid 2089 and name HE# ) 2.6 0.8 0.8 volume=4906813.000 peak=1226 ppm1=0.502 ppm2=7.642 assign ( resid 2097 and name HA ) ( resid 2097 and name H ) 2.6 0.8 0.8 volume=5034812.500 peak=484 ppm1=4.404 ppm2=8.228 assign ( resid 2104 and name HB2 ) ( resid 2104 and name HA ) 2.8 1.0 1.0 volume=2894783.500 peak=1284 ppm1=3.077 ppm2=4.399 assign ( resid 2083 and name H ) ( resid 2083 and name HG13 ) 2.5 0.8 0.8 volume=510887.031 peak=159 ppm1=7.600 ppm2=1.474 assign ( resid 2087 and name HG2# ) ( resid 2091 and name HB3 or resid 2091 and name HB2 ) 2.1 0.5 0.5 volume=17983168.000 peak=997 ppm1=1.362 ppm2=2.826 assign ( resid 2110 and name HG2# ) ( resid 2110 and name HA ) 1.9 0.5 0.5 volume=27566240.000 peak=504 ppm1=1.256 ppm2=4.554 assign ( resid 2050 and name HD3 or resid 2050 and name HD2 ) ( resid 2050 and name HA ) 2.6 0.8 0.8 volume=4909671.500 peak=551 ppm1=3.215 ppm2=4.470 assign ( resid 2102 and name HA ) ( resid 2102 and name HG ) 2.4 0.7 0.7 volume=7754025.500 peak=1255 ppm1=3.970 ppm2=1.280 assign ( resid 2113 and name H ) ( resid 2113 and name HB2 ) 2.5 0.8 0.8 volume=593575.000 peak=333 ppm1=8.559 ppm2=2.686 assign ( resid 2094 and name H ) ( resid 2094 and name HA ) 2.8 1.0 1.0 volume=308820.156 peak=212 ppm1=7.547 ppm2=3.996 assign ( resid 2128 and name HG ) ( resid 2119 and name HD1# ) 3.2 1.3 1.3 volume=1363903.750 peak=1558 ppm1=1.646 ppm2=0.218 assign ( resid 2050 and name HB3 ) ( resid 2050 and name H ) 3.1 1.2 1.2 volume=1679963.250 peak=563 ppm1=1.829 ppm2=8.723 assign ( resid 2135 and name HB3 ) ( resid 2135 and name H ) 2.6 0.8 0.8 volume=5253620.000 peak=1681 ppm1=1.671 ppm2=7.907 assign ( resid 2119 and name HA ) ( resid 2118 and name HD1# or resid 2128 and name HD2# or resid 2128 and name HD1# ) 2.6 0.9 0.9 volume=4624441.500 peak=473 ppm1=3.854 ppm2=1.027 assign ( resid 2090 and name HG3 or resid 2090 and name HG2 ) ( resid 2090 and name HA ) 2.5 0.8 0.8 volume=6226852.000 peak=1069 ppm1=1.484 ppm2=4.299 assign ( resid 2071 and name HB ) ( resid 2070 and name HB# ) 2.7 0.9 0.9 volume=3700409.250 peak=782 ppm1=3.691 ppm2=1.429 assign ( resid 2101 and name HG3 ) ( resid 2101 and name HA ) 2.3 0.6 0.6 volume=10791923.000 peak=1208 ppm1=2.273 ppm2=4.119 assign ( resid 2083 and name HG13 ) ( resid 2083 and name HG12 ) 1.9 0.5 0.5 volume=28068924.000 peak=945 ppm1=1.462 ppm2=1.677 assign ( resid 2129 and name HA ) ( resid 2129 and name H ) 2.4 0.7 0.7 volume=7696440.500 peak=1573 ppm1=4.402 ppm2=8.919 assign ( resid 2082 and name H ) ( resid 2079 and name HB or resid 2082 and name HA ) 2.5 0.8 0.8 volume=529791.188 peak=6 ppm1=8.108 ppm2=4.419 assign ( resid 2092 and name HB2 ) ( resid 2092 and name HA ) 2.7 0.9 0.9 volume=3793024.750 peak=1084 ppm1=2.116 ppm2=4.377 assign ( resid 2103 and name HA ) ( resid 2106 and name H ) 3.1 1.2 1.2 volume=1584330.750 peak=1272 ppm1=3.718 ppm2=8.310 assign ( resid 2137 and name HG2# ) ( resid 2133 and name HD2 ) 2.5 0.8 0.8 volume=5689173.500 peak=1728 ppm1=0.994 ppm2=6.645 assign ( resid 2062 and name H ) ( resid 2061 and name HB3 or resid 2061 and name HB2 ) 2.6 0.8 0.8 volume=470320.875 peak=62 ppm1=8.392 ppm2=2.173 assign ( resid 2083 and name HG2# ) ( resid 2083 and name H or resid 2089 and name HE# ) 2.4 0.7 0.7 volume=8406046.000 peak=925 ppm1=0.784 ppm2=7.595 assign ( resid 2098 and name H ) ( resid 2098 and name HB ) 2.7 0.9 0.9 volume=344006.000 peak=226 ppm1=8.979 ppm2=4.201 assign ( resid 2087 and name HG2# ) ( resid 2087 and name HA or resid 2087 and name HB ) 1.9 0.4 0.4 volume=36822132.000 peak=996 ppm1=1.358 ppm2=3.990 assign ( resid 2126 and name HB3 or resid 2126 and name HB2 ) ( resid 2126 and name HA ) 2.6 0.8 0.8 volume=5276576.500 peak=1520 ppm1=2.920 ppm2=4.269 assign ( resid 2081 and name HG2 or resid 2081 and name HG3 ) ( resid 2081 and name HB3 or resid 2081 and name HB2 ) 1.6 0.3 0.3 volume=81082936.000 peak=905 ppm1=2.315 ppm2=2.039 assign ( resid 2100 and name H ) ( resid 2101 and name H ) 2.5 0.8 0.8 volume=541909.250 peak=237 ppm1=7.282 ppm2=7.540 assign ( resid 2074 and name HB ) ( resid 2074 and name HA ) 2.1 0.6 0.6 volume=15950611.000 peak=811 ppm1=2.210 ppm2=4.011 assign ( resid 2121 and name H ) ( resid 2120 and name HB2 ) 2.9 1.1 1.1 volume=207629.688 peak=360 ppm1=7.999 ppm2=2.995 assign ( resid 2119 and name HG2# ) ( resid 2119 and name HB ) 2.1 0.5 0.5 volume=19042508.000 peak=454 ppm1=0.425 ppm2=1.706 assign ( resid 2112 and name HB2 ) ( resid 2112 and name H ) 2.7 0.9 0.9 volume=3502022.000 peak=1359 ppm1=1.066 ppm2=7.655 assign ( resid 2059 and name HG2 ) ( resid 2054 and name HB3 ) 2.7 0.9 0.9 volume=3964006.250 peak=1774 ppm1=2.340 ppm2=1.590 assign ( resid 2093 and name HA3 ) ( resid 2093 and name HA2 ) 2.0 0.5 0.5 volume=20902036.000 peak=1101 ppm1=4.475 ppm2=3.753 assign ( resid 2118 and name HD2# ) ( resid 2122 and name HD2 ) 2.4 0.7 0.7 volume=7961802.500 peak=1405 ppm1=1.104 ppm2=6.834 assign ( resid 2138 and name HG3 or resid 2138 and name HG2 ) ( resid 2138 and name HE22 ) 2.4 0.7 0.7 volume=7994230.000 peak=1733 ppm1=2.420 ppm2=7.583 assign ( resid 2100 and name HD1# ) ( resid 2101 and name H ) 2.9 1.1 1.1 volume=2367228.250 peak=1196 ppm1=1.059 ppm2=7.558 assign ( resid 2137 and name H ) ( resid 2136 and name H ) 2.5 0.8 0.8 volume=506712.906 peak=415 ppm1=7.590 ppm2=8.143 assign ( resid 2107 and name HA ) ( resid 2107 and name H ) 2.8 1.0 1.0 volume=3058814.500 peak=508 ppm1=4.235 ppm2=9.103 assign ( resid 2117 and name H ) ( resid 2115 and name HB2 ) 2.9 1.0 1.0 volume=237201.703 peak=344 ppm1=6.736 ppm2=2.424 assign ( resid 2115 and name HG3 ) ( resid 2118 and name H ) 3.3 1.4 1.4 volume=1065779.125 peak=1916 ppm1=2.214 ppm2=7.398 assign ( resid 2060 and name HA ) ( resid 2060 and name H ) 2.4 0.7 0.7 volume=8044687.500 peak=1577 ppm1=3.531 ppm2=7.969 assign ( resid 2081 and name H ) ( resid 2081 and name HG2 or resid 2081 and name HG3 ) 2.7 0.9 0.9 volume=331227.812 peak=143 ppm1=9.072 ppm2=2.316 assign ( resid 2117 and name HA ) ( resid 2118 and name H ) 2.8 1.0 1.0 volume=2956493.500 peak=481 ppm1=4.208 ppm2=7.407 assign ( resid 2063 and name H ) ( resid 2063 and name HG ) 2.6 0.8 0.8 volume=460988.156 peak=300 ppm1=7.931 ppm2=1.812 assign ( resid 2093 and name H ) ( resid 2092 and name H ) 2.4 0.7 0.7 volume=664338.250 peak=207 ppm1=7.488 ppm2=7.820 assign ( resid 2090 and name HG3 or resid 2090 and name HG2 ) ( resid 2091 and name H ) 2.9 1.1 1.1 volume=2263464.000 peak=1939 ppm1=1.501 ppm2=7.187 assign ( resid 2089 and name HD# ) ( resid 2092 and name HG or resid 2094 and name HB or resid 2128 and name HG ) 2.8 1.0 1.0 volume=3278031.000 peak=1052 ppm1=7.144 ppm2=1.713 assign ( resid 2128 and name HA ) ( resid 2128 and name HD2# ) 2.0 0.5 0.5 volume=20272596.000 peak=1189 ppm1=4.151 ppm2=1.039 assign ( resid 2067 and name HB or resid 2074 and name HB ) ( resid 2067 and name HG2# or resid 2067 and name HG1# or resid 2074 and name HG2# or resid 2074 and name HG1# ) 1.9 0.5 0.5 volume=31360914.000 peak=729 ppm1=2.250 ppm2=1.077 assign ( resid 2059 and name HB3 ) ( resid 2054 and name HG or resid 2054 and name HB3 ) 3.2 1.3 1.3 volume=1355019.750 peak=1787 ppm1=2.589 ppm2=1.601 assign ( resid 2089 and name HE# ) ( resid 2119 and name HD1# ) 3.3 1.3 1.3 volume=1249285.500 peak=1047 ppm1=7.647 ppm2=0.218 assign ( resid 2119 and name HG13 ) ( resid 2119 and name HD1# ) 2.4 0.7 0.7 volume=7600866.000 peak=440 ppm1=1.269 ppm2=0.216 assign ( resid 2126 and name HD2 ) ( resid 2127 and name H ) 3.2 1.3 1.3 volume=1445936.625 peak=1525 ppm1=6.921 ppm2=8.424 assign ( resid 2123 and name HD3 ) ( resid 2122 and name HB3 or resid 2123 and name HB2 or resid 2123 and name HB3 ) 2.5 0.8 0.8 volume=5427796.500 peak=1481 ppm1=3.405 ppm2=2.355 assign ( resid 2135 and name HA ) ( resid 2137 and name H ) 3.3 1.3 1.3 volume=1230488.250 peak=1680 ppm1=3.967 ppm2=7.565 assign ( resid 2106 and name HB2 ) ( resid 2106 and name HD2# or resid 2106 and name HD1# ) 2.1 0.6 0.6 volume=16224677.000 peak=1309 ppm1=1.095 ppm2=0.805 assign ( resid 2125 and name HD3 ) ( resid 2124 and name HA ) 2.5 0.8 0.8 volume=6565023.000 peak=1502 ppm1=2.535 ppm2=4.441 assign ( resid 2125 and name HD2 ) ( resid 2125 and name HD3 ) 2.5 0.8 0.8 volume=6771255.500 peak=1505 ppm1=3.766 ppm2=2.538 assign ( resid 2102 and name HD2# ) ( resid 2070 and name HB# ) 1.9 0.4 0.4 volume=36376184.000 peak=1261 ppm1=0.806 ppm2=1.444 assign ( resid 2110 and name H ) ( resid 2109 and name HA or resid 2110 and name HA ) 2.3 0.7 0.7 volume=902808.875 peak=315 ppm1=8.023 ppm2=4.569 assign ( resid 2119 and name HG13 ) ( resid 2119 and name H ) 2.6 0.9 0.9 volume=4639143.500 peak=449 ppm1=1.269 ppm2=8.216 assign ( resid 2105 and name HG2# or resid 2110 and name HG2# ) ( resid 2109 and name HB3 ) 2.9 1.0 1.0 volume=2608444.250 peak=676 ppm1=1.317 ppm2=2.685 assign ( resid 2113 and name H ) ( resid 2112 and name HD1# ) 2.8 1.0 1.0 volume=279101.938 peak=332 ppm1=8.549 ppm2=0.691 assign ( resid 2118 and name HD1# ) ( resid 2131 and name HD2 ) 3.4 1.5 1.5 volume=941674.125 peak=1407 ppm1=0.935 ppm2=6.059 assign ( resid 2088 and name HB# ) ( resid 2090 and name HE3 or resid 2090 and name HE2 ) 2.8 1.0 1.0 volume=3141825.500 peak=765 ppm1=1.537 ppm2=3.023 assign ( resid 2103 and name HD3 ) ( resid 2103 and name HA or resid 2115 and name HD3 or resid 2119 and name HA ) 3.2 1.2 1.2 volume=1495385.250 peak=553 ppm1=3.210 ppm2=3.762 assign ( resid 2056 and name HA ) ( resid 2059 and name HB2 or resid 2060 and name HG3 ) 2.9 1.1 1.1 volume=2482014.000 peak=585 ppm1=4.367 ppm2=1.858 assign ( resid 2070 and name H ) ( resid 2070 and name HA ) 2.4 0.7 0.7 volume=716260.062 peak=113 ppm1=8.552 ppm2=4.197 assign ( resid 2105 and name H ) ( resid 2105 and name HB ) 2.4 0.7 0.7 volume=765167.500 peak=280 ppm1=8.585 ppm2=4.314 assign ( resid 2126 and name HB2 ) ( resid 2127 and name H ) 2.7 0.9 0.9 volume=3747291.750 peak=1514 ppm1=2.910 ppm2=8.426 assign ( resid 2101 and name HA ) ( resid 2104 and name HB3 ) 2.7 0.9 0.9 volume=4067952.250 peak=1209 ppm1=4.140 ppm2=2.888 assign ( resid 2049 and name HB3 ) ( resid 2047 and name HA or resid 2050 and name HA or resid 2110 and name HA ) 3.0 1.1 1.1 volume=2100597.250 peak=1864 ppm1=2.076 ppm2=4.525 assign ( resid 2053 and name HA3 ) ( resid 2054 and name H ) 3.0 1.1 1.1 volume=1977277.250 peak=1853 ppm1=3.845 ppm2=7.406 assign ( resid 2089 and name H ) ( resid 2089 and name HD# ) 2.7 0.9 0.9 volume=373318.219 peak=174 ppm1=8.668 ppm2=7.156 assign ( resid 2131 and name HB2 ) ( resid 2128 and name HA ) 3.0 1.1 1.1 volume=2029556.750 peak=1605 ppm1=2.840 ppm2=4.074 assign ( resid 2064 and name HA ) ( resid 2067 and name HB ) 2.4 0.7 0.7 volume=7153495.000 peak=1836 ppm1=4.200 ppm2=2.249 assign ( resid 2074 and name H ) ( resid 2075 and name H ) 2.6 0.9 0.9 volume=421743.500 peak=435 ppm1=7.914 ppm2=7.667 assign ( resid 2082 and name HB3 ) ( resid 2083 and name H ) 3.0 1.1 1.1 volume=2184447.750 peak=911 ppm1=3.862 ppm2=7.600 assign ( resid 2119 and name HD1# ) ( resid 2120 and name H or resid 2124 and name H ) 3.1 1.2 1.2 volume=1825954.125 peak=1427 ppm1=0.220 ppm2=7.511 assign ( resid 2119 and name HB ) ( resid 2119 and name H ) 2.5 0.8 0.8 volume=6472513.000 peak=462 ppm1=1.703 ppm2=8.217 assign ( resid 2114 and name H ) ( resid 2114 and name HD2# ) 3.0 1.1 1.1 volume=196265.734 peak=337 ppm1=7.866 ppm2=0.889 assign ( resid 2096 and name HA ) ( resid 2097 and name H ) 3.0 1.1 1.1 volume=2000619.000 peak=1747 ppm1=4.188 ppm2=8.220 assign ( resid 2085 and name HD3 ) ( resid 2086 and name H ) 3.1 1.2 1.2 volume=1736785.875 peak=963 ppm1=4.063 ppm2=7.591 assign ( resid 2060 and name HB2 or resid 2080 and name HG3 ) ( resid 2059 and name H or resid 2081 and name H ) 3.0 1.1 1.1 volume=2053835.375 peak=626 ppm1=2.135 ppm2=9.071 assign ( resid 2118 and name HA ) ( resid 2122 and name HD2 ) 2.8 1.0 1.0 volume=3318077.750 peak=615 ppm1=4.078 ppm2=6.829 assign ( resid 2092 and name H ) ( resid 2091 and name H ) 2.5 0.8 0.8 volume=566126.812 peak=200 ppm1=7.825 ppm2=7.179 assign ( resid 2094 and name HG2# ) ( resid 2095 and name H ) 2.4 0.7 0.7 volume=8359465.000 peak=1127 ppm1=0.756 ppm2=8.000 assign ( resid 2051 and name HB3 ) ( resid 2051 and name HA ) 2.7 0.9 0.9 volume=4244300.000 peak=574 ppm1=1.605 ppm2=4.493 assign ( resid 2080 and name HA ) ( resid 2083 and name HG13 ) 2.2 0.6 0.6 volume=13045456.000 peak=879 ppm1=4.262 ppm2=1.402 assign ( resid 2063 and name HD2# ) ( resid 2063 and name HG ) 1.9 0.4 0.4 volume=33537048.000 peak=1830 ppm1=0.874 ppm2=1.819 assign ( resid 2107 and name H ) ( resid 2106 and name HA or resid 2107 and name HA ) 2.6 0.8 0.8 volume=453129.531 peak=294 ppm1=9.120 ppm2=4.177 assign ( resid 2063 and name HD2# ) ( resid 2060 and name H or resid 2063 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=7609704.000 peak=1818 ppm1=0.872 ppm2=7.934 assign ( resid 2081 and name H ) ( resid 2080 and name HB2 or resid 2081 and name HB3 or resid 2081 and name HB2 ) 2.4 0.7 0.7 volume=781154.188 peak=144 ppm1=9.070 ppm2=2.057 assign ( resid 2128 and name HD1# ) ( resid 2102 and name HD1# or resid 2119 and name HG2# ) 2.5 0.8 0.8 volume=5592661.000 peak=1562 ppm1=1.005 ppm2=0.482 assign ( resid 2104 and name HB2 ) ( resid 2101 and name HA ) 2.6 0.9 0.9 volume=4595363.500 peak=1282 ppm1=3.079 ppm2=4.134 assign ( resid 2121 and name HB2 ) ( resid 2121 and name HA ) 2.5 0.8 0.8 volume=6715569.000 peak=1451 ppm1=2.350 ppm2=4.040 assign ( resid 2066 and name HG ) ( resid 2066 and name HA or resid 2106 and name HA ) 2.4 0.7 0.7 volume=7916902.000 peak=690 ppm1=1.616 ppm2=4.236 assign ( resid 2109 and name H ) ( resid 2108 and name H or resid 2110 and name H ) 2.7 0.9 0.9 volume=377589.344 peak=309 ppm1=8.274 ppm2=7.996 assign ( resid 2048 and name HB3 ) ( resid 2048 and name HA ) 2.5 0.8 0.8 volume=5448545.500 peak=1871 ppm1=3.098 ppm2=4.734 assign ( resid 2092 and name HA ) ( resid 2092 and name HB3 ) 2.1 0.5 0.5 volume=18074752.000 peak=1090 ppm1=4.368 ppm2=1.610 assign ( resid 2110 and name H ) ( resid 2110 and name HG2# ) 2.5 0.8 0.8 volume=523521.906 peak=316 ppm1=8.015 ppm2=1.271 assign ( resid 2127 and name HA ) ( resid 2126 and name HD2 ) 3.1 1.2 1.2 volume=1805572.750 peak=1532 ppm1=4.143 ppm2=6.914 assign ( resid 2114 and name HD2# ) ( resid 2114 and name HA ) 2.8 1.0 1.0 volume=3331052.250 peak=1898 ppm1=0.901 ppm2=4.922 assign ( resid 2094 and name HB ) ( resid 2090 and name HA ) 2.9 1.0 1.0 volume=2649168.500 peak=1107 ppm1=1.720 ppm2=4.309 assign ( resid 2128 and name HB3 ) ( resid 2128 and name HG ) 2.7 0.9 0.9 volume=3504609.250 peak=1553 ppm1=2.241 ppm2=1.651 assign ( resid 2068 and name H ) ( resid 2064 and name HA or resid 2066 and name HA ) 2.9 1.1 1.1 volume=221904.859 peak=104 ppm1=8.559 ppm2=4.233 assign ( resid 2130 and name HA ) ( resid 2133 and name HB3 ) 2.6 0.8 0.8 volume=5220770.000 peak=1583 ppm1=3.987 ppm2=3.285 assign ( resid 2073 and name H ) ( resid 2073 and name HA ) 2.6 0.8 0.8 volume=467311.156 peak=125 ppm1=8.187 ppm2=3.936 assign ( resid 2098 and name HG2# ) ( resid 2098 and name HB ) 2.0 0.5 0.5 volume=26714246.000 peak=1162 ppm1=1.396 ppm2=4.200 assign ( resid 2055 and name HA ) ( resid 2055 and name HB2 or resid 2056 and name HD2 or resid 2056 and name HD3 ) 2.1 0.6 0.6 volume=15897131.000 peak=576 ppm1=4.750 ppm2=4.003 assign ( resid 2061 and name HG3 ) ( resid 2062 and name H ) 3.0 1.2 1.2 volume=1853095.500 peak=1807 ppm1=2.510 ppm2=8.385 assign ( resid 2056 and name HA ) ( resid 2059 and name H ) 3.2 1.3 1.3 volume=1420137.625 peak=590 ppm1=4.359 ppm2=9.114 assign ( resid 2054 and name HB2 ) ( resid 2058 and name HB2 or resid 2059 and name HG2 ) 2.9 1.0 1.0 volume=2567717.250 peak=1848 ppm1=1.871 ppm2=2.442 assign ( resid 2102 and name HD1# ) ( resid 2119 and name HD1# ) 2.2 0.6 0.6 volume=13158679.000 peak=1250 ppm1=0.502 ppm2=0.219 assign ( resid 2087 and name HA ) ( resid 2091 and name HB3 or resid 2091 and name HB2 ) 3.1 1.2 1.2 volume=1610479.500 peak=959 ppm1=3.998 ppm2=2.820 assign ( resid 2125 and name HG3 ) ( resid 2125 and name HD2 ) 2.9 1.1 1.1 volume=2398924.750 peak=1927 ppm1=1.334 ppm2=3.755 assign ( resid 2131 and name HB2 ) ( resid 2131 and name HD2 ) 3.0 1.1 1.1 volume=1974776.625 peak=1600 ppm1=2.845 ppm2=6.044 assign ( resid 2065 and name HA ) ( resid 2068 and name H or resid 2069 and name H ) 2.7 0.9 0.9 volume=4256244.500 peak=655 ppm1=4.009 ppm2=8.581 assign ( resid 2104 and name H ) ( resid 2105 and name H ) 2.6 0.9 0.9 volume=411842.938 peak=263 ppm1=8.871 ppm2=8.587 assign ( resid 2050 and name HB2 ) ( resid 2050 and name HD3 or resid 2050 and name HD2 ) 2.4 0.7 0.7 volume=7107272.000 peak=560 ppm1=1.926 ppm2=3.211 assign ( resid 2060 and name HG2 ) ( resid 2060 and name H ) 2.4 0.7 0.7 volume=7810633.000 peak=1797 ppm1=2.130 ppm2=7.959 assign ( resid 2119 and name HA ) ( resid 2119 and name H ) 2.7 0.9 0.9 volume=4073107.750 peak=476 ppm1=3.848 ppm2=8.216 assign ( resid 2062 and name H ) ( resid 2062 and name HB ) 2.4 0.7 0.7 volume=702995.375 peak=60 ppm1=8.390 ppm2=4.264 assign ( resid 2089 and name H ) ( resid 2089 and name HB3 ) 2.6 0.9 0.9 volume=412528.750 peak=177 ppm1=8.662 ppm2=2.779 assign ( resid 2091 and name HB3 or resid 2091 and name HB2 ) ( resid 2090 and name HD3 or resid 2090 and name HB2 or resid 2092 and name HG ) 3.1 1.2 1.2 volume=1814478.375 peak=1081 ppm1=2.823 ppm2=1.726 assign ( resid 2101 and name H ) ( resid 2102 and name H ) 2.7 0.9 0.9 volume=326760.562 peak=244 ppm1=7.551 ppm2=8.694 assign ( resid 2118 and name H ) ( resid 2117 and name H ) 2.7 0.9 0.9 volume=351964.562 peak=346 ppm1=7.409 ppm2=6.741 assign ( resid 2103 and name HA ) ( resid 2106 and name HD2# ) 2.3 0.7 0.7 volume=10109326.000 peak=1884 ppm1=3.713 ppm2=0.897 assign ( resid 2086 and name H ) ( resid 2086 and name HA ) 2.5 0.8 0.8 volume=557627.812 peak=8 ppm1=7.617 ppm2=4.454 assign ( resid 2098 and name HB ) ( resid 2074 and name HB or resid 2101 and name HB2 ) 2.6 0.9 0.9 volume=4563367.500 peak=1172 ppm1=4.201 ppm2=2.140 assign ( resid 2075 and name HD1# ) ( resid 2093 and name HA2 ) 2.5 0.8 0.8 volume=5583721.500 peak=847 ppm1=0.786 ppm2=3.705 assign ( resid 2135 and name HB2 or resid 2135 and name HB3 ) ( resid 2135 and name HD3 ) 3.1 1.2 1.2 volume=1763748.500 peak=1685 ppm1=1.657 ppm2=2.925 assign ( resid 2113 and name HB3 ) ( resid 2113 and name H ) 2.4 0.7 0.7 volume=7063585.000 peak=1378 ppm1=2.537 ppm2=8.555 assign ( resid 2125 and name HD3 ) ( resid 2124 and name HG2# ) 3.0 1.1 1.1 volume=2021382.750 peak=1509 ppm1=2.538 ppm2=1.006 assign ( resid 2072 and name HB# ) ( resid 2072 and name H ) 2.0 0.5 0.5 volume=22488730.000 peak=792 ppm1=1.398 ppm2=8.381 assign ( resid 2131 and name HB3 ) ( resid 2118 and name HD2# or resid 2128 and name HD2# ) 2.9 1.0 1.0 volume=2563947.250 peak=1609 ppm1=2.536 ppm2=1.045 assign ( resid 2116 and name HG2 or resid 2116 and name HG3 ) ( resid 2117 and name H ) 2.7 0.9 0.9 volume=3480863.000 peak=1909 ppm1=2.130 ppm2=6.758 assign ( resid 2122 and name HD2 ) ( resid 2118 and name HD2# or resid 2128 and name HD2# ) 2.4 0.7 0.7 volume=7287658.500 peak=1470 ppm1=6.839 ppm2=1.086 assign ( resid 2089 and name HE# ) ( resid 2128 and name HD1# ) 2.5 0.8 0.8 volume=6151047.000 peak=1044 ppm1=7.643 ppm2=1.024 assign ( resid 2119 and name HG12 ) ( resid 2119 and name HG2# ) 2.4 0.7 0.7 volume=8015575.500 peak=447 ppm1=0.804 ppm2=0.433 assign ( resid 2055 and name HB3 ) ( resid 2055 and name HA ) 3.2 1.3 1.3 volume=1292411.500 peak=579 ppm1=4.425 ppm2=4.755 assign ( resid 2117 and name H ) ( resid 2118 and name H ) 2.7 0.9 0.9 volume=319461.688 peak=340 ppm1=6.743 ppm2=7.419 assign ( resid 2128 and name HD2# ) ( resid 2119 and name HD1# ) 2.4 0.7 0.7 volume=8046494.500 peak=1560 ppm1=1.046 ppm2=0.217 assign ( resid 2098 and name H ) ( resid 2097 and name HA ) 3.3 1.3 1.3 volume=112840.625 peak=229 ppm1=8.941 ppm2=4.399 assign ( resid 2134 and name H ) ( resid 2133 and name HB3 ) 2.7 0.9 0.9 volume=341075.438 peak=404 ppm1=8.260 ppm2=3.269 assign ( resid 2058 and name HG3 or resid 2058 and name HG2 ) ( resid 2055 and name H ) 2.8 1.0 1.0 volume=3176995.500 peak=627 ppm1=2.470 ppm2=9.081 assign ( resid 2066 and name HD2# ) ( resid 2109 and name HB3 ) 2.5 0.8 0.8 volume=5500351.500 peak=702 ppm1=0.875 ppm2=2.692 assign ( resid 2071 and name HA ) ( resid 2102 and name HD1# ) 3.1 1.2 1.2 volume=1672853.250 peak=784 ppm1=4.339 ppm2=0.461 assign ( resid 2082 and name H ) ( resid 2083 and name H ) 2.7 0.9 0.9 volume=315784.844 peak=148 ppm1=8.110 ppm2=7.602 assign ( resid 2119 and name HD1# ) ( resid 2118 and name HD1# or resid 2128 and name HD1# ) 1.9 0.5 0.5 volume=27564460.000 peak=457 ppm1=0.221 ppm2=1.007 assign ( resid 2067 and name HA ) ( resid 2067 and name H ) 2.4 0.7 0.7 volume=7075750.500 peak=705 ppm1=3.524 ppm2=8.814 assign ( resid 2088 and name H ) ( resid 2091 and name HB3 or resid 2091 and name HB2 ) 2.8 1.0 1.0 volume=279513.969 peak=170 ppm1=8.773 ppm2=2.824 assign ( resid 2066 and name HD1# or resid 2092 and name HD2# ) ( resid 2066 and name HA or resid 2089 and name HA ) 2.1 0.5 0.5 volume=18990316.000 peak=1095 ppm1=0.782 ppm2=4.171 assign ( resid 2109 and name HB3 ) ( resid 2106 and name HA ) 2.8 1.0 1.0 volume=3177011.500 peak=1340 ppm1=2.692 ppm2=4.171 assign ( resid 2097 and name H ) ( resid 2096 and name H or resid 2099 and name H ) 2.6 0.9 0.9 volume=429202.375 peak=218 ppm1=8.237 ppm2=9.107 assign ( resid 2113 and name HB2 ) ( resid 2114 and name H ) 3.1 1.2 1.2 volume=1789185.875 peak=1379 ppm1=2.687 ppm2=7.856 assign ( resid 2125 and name HD3 ) ( resid 2083 and name HG2# or resid 2092 and name HD2# ) 2.8 1.0 1.0 volume=2988670.750 peak=1508 ppm1=2.533 ppm2=0.776 assign ( resid 2098 and name H ) ( resid 2097 and name HB2 ) 2.5 0.8 0.8 volume=504311.281 peak=224 ppm1=8.978 ppm2=1.755 assign ( resid 2067 and name HA ) ( resid 2067 and name HG2# ) 1.9 0.5 0.5 volume=28036556.000 peak=726 ppm1=3.527 ppm2=1.081 assign ( resid 2054 and name HD2# or resid 2132 and name HD2# ) ( resid 2058 and name HB2 or resid 2131 and name HB3 ) 2.2 0.6 0.6 volume=12076037.000 peak=1846 ppm1=0.821 ppm2=2.457 assign ( resid 2066 and name H ) ( resid 2064 and name HB# or resid 2066 and name HG or resid 2068 and name HB# ) 2.9 1.1 1.1 volume=224132.109 peak=88 ppm1=7.759 ppm2=1.605 assign ( resid 2066 and name H ) ( resid 2063 and name HD1# or resid 2066 and name HD2# or resid 2066 and name HD1# ) 2.9 1.1 1.1 volume=225493.438 peak=90 ppm1=7.759 ppm2=0.835 assign ( resid 2080 and name HD3 or resid 2115 and name HD2 ) ( resid 2079 and name HA or resid 2114 and name HA ) 2.7 0.9 0.9 volume=4129078.500 peak=889 ppm1=3.935 ppm2=4.934 assign ( resid 2054 and name H ) ( resid 2054 and name HB2 ) 2.5 0.8 0.8 volume=547387.125 peak=24 ppm1=7.407 ppm2=1.872 assign ( resid 2063 and name HB3 ) ( resid 2063 and name HB2 ) 2.2 0.6 0.6 volume=13533828.000 peak=838 ppm1=1.320 ppm2=2.000 assign ( resid 2120 and name HB2 ) ( resid 2120 and name HD# ) 2.5 0.8 0.8 volume=5987291.500 peak=1437 ppm1=2.981 ppm2=7.190 assign ( resid 2054 and name HD1# ) ( resid 2054 and name HA ) 2.2 0.6 0.6 volume=13775612.000 peak=846 ppm1=0.821 ppm2=4.658 assign ( resid 2128 and name HA ) ( resid 2128 and name HD2# ) 2.1 0.5 0.5 volume=18695952.000 peak=1555 ppm1=4.082 ppm2=1.040 assign ( resid 2138 and name HB3 ) ( resid 2138 and name H ) 2.5 0.8 0.8 volume=5851014.500 peak=633 ppm1=2.079 ppm2=7.767 assign ( resid 2118 and name HA ) ( resid 2118 and name H ) 2.6 0.8 0.8 volume=5419635.000 peak=614 ppm1=4.079 ppm2=7.398 assign ( resid 2091 and name H ) ( resid 2091 and name HB3 or resid 2091 and name HB2 ) 2.2 0.6 0.6 volume=1293404.375 peak=1 ppm1=7.179 ppm2=2.835 assign ( resid 2132 and name HA ) ( resid 2135 and name H ) 2.8 1.0 1.0 volume=2932797.250 peak=1578 ppm1=3.556 ppm2=7.907 assign ( resid 2054 and name HD2# ) ( resid 2055 and name H or resid 2059 and name H ) 2.6 0.9 0.9 volume=4528794.000 peak=1821 ppm1=0.871 ppm2=9.119 assign ( resid 2092 and name H or resid 2131 and name H ) ( resid 2092 and name HB2 or resid 2130 and name HB2 ) 2.3 0.6 0.6 volume=1042815.125 peak=196 ppm1=7.814 ppm2=2.125 assign ( resid 2113 and name HB3 ) ( resid 2107 and name HG2# ) 3.3 1.3 1.3 volume=1191735.000 peak=1940 ppm1=2.539 ppm2=1.342 assign ( resid 2107 and name H ) ( resid 2106 and name H ) 2.8 1.0 1.0 volume=299501.312 peak=297 ppm1=9.118 ppm2=8.318 assign ( resid 2086 and name HB# ) ( resid 2085 and name HG3 ) 2.7 0.9 0.9 volume=4137795.250 peak=985 ppm1=1.327 ppm2=2.004 assign ( resid 2132 and name HD2# ) ( resid 2132 and name H ) 2.3 0.7 0.7 volume=8949441.000 peak=1620 ppm1=0.797 ppm2=8.598 assign ( resid 2121 and name H ) ( resid 2120 and name HB3 ) 3.0 1.1 1.1 volume=197852.609 peak=361 ppm1=8.005 ppm2=3.182 assign ( resid 2109 and name H ) ( resid 2109 and name HB2 ) 2.6 0.8 0.8 volume=434839.438 peak=305 ppm1=8.280 ppm2=2.847 assign ( resid 2089 and name HD# ) ( resid 2119 and name HD1# ) 3.2 1.3 1.3 volume=1452001.500 peak=1048 ppm1=7.141 ppm2=0.216 assign ( resid 2080 and name HA ) ( resid 2080 and name HD2 ) 3.1 1.2 1.2 volume=1759081.125 peak=893 ppm1=4.252 ppm2=3.690 assign ( resid 2081 and name HG2 or resid 2081 and name HG3 ) ( resid 2079 and name HG2# ) 2.6 0.9 0.9 volume=4704221.000 peak=908 ppm1=2.314 ppm2=1.219 assign ( resid 2133 and name HE1 ) ( resid 2137 and name HG2# ) 2.9 1.1 1.1 volume=2298421.750 peak=1665 ppm1=7.736 ppm2=0.990 assign ( resid 2112 and name HB3 ) ( resid 2112 and name HB2 ) 2.3 0.7 0.7 volume=9771046.000 peak=1367 ppm1=1.589 ppm2=1.063 assign ( resid 2062 and name HG2# or resid 2079 and name HG2# or resid 2117 and name HG2# ) ( resid 2059 and name HG2 or resid 2081 and name HG2 or resid 2081 and name HG3 or resid 2115 and name HB2 or resid 2116 and name HB2 or resid 2121 and name HB2 ) 2.4 0.7 0.7 volume=8566746.000 peak=1947 ppm1=1.217 ppm2=2.407 assign ( resid 2058 and name HG3 ) ( resid 2058 and name H ) 2.3 0.7 0.7 volume=8934778.000 peak=611 ppm1=2.464 ppm2=7.934 assign ( resid 2138 and name HG3 or resid 2138 and name HG2 ) ( resid 2138 and name HB3 or resid 2138 and name HB2 ) 1.6 0.3 0.3 volume=87824328.000 peak=1737 ppm1=2.420 ppm2=2.123 assign ( resid 2075 and name HG ) ( resid 2075 and name HD1# or resid 2075 and name HD2# ) 1.8 0.4 0.4 volume=48362480.000 peak=831 ppm1=1.766 ppm2=0.790 assign ( resid 2102 and name HD2# ) ( resid 2102 and name HA ) 2.1 0.5 0.5 volume=18777336.000 peak=1237 ppm1=0.806 ppm2=3.974 assign ( resid 2109 and name HB2 ) ( resid 2109 and name H ) 2.7 0.9 0.9 volume=4102669.750 peak=1333 ppm1=2.849 ppm2=8.258 assign ( resid 2051 and name HB2 ) ( resid 2051 and name HD2# or resid 2051 and name HD1# ) 1.9 0.5 0.5 volume=30775680.000 peak=572 ppm1=1.737 ppm2=0.875 assign ( resid 2060 and name HG3 ) ( resid 2060 and name HE22 ) 2.7 0.9 0.9 volume=3996164.500 peak=1799 ppm1=1.940 ppm2=7.048 assign ( resid 2055 and name HB2 ) ( resid 2055 and name H ) 2.9 1.0 1.0 volume=2541566.500 peak=582 ppm1=4.037 ppm2=9.037 assign ( resid 2048 and name HB3 or resid 2048 and name HB2 ) ( resid 2048 and name HD2 ) 2.4 0.7 0.7 volume=7164833.000 peak=537 ppm1=3.086 ppm2=6.945 assign ( resid 2090 and name HB3 ) ( resid 2090 and name HA ) 2.2 0.6 0.6 volume=12546038.000 peak=1058 ppm1=1.934 ppm2=4.298 assign ( resid 2098 and name HA ) ( resid 2100 and name H ) 3.2 1.3 1.3 volume=1463851.500 peak=1919 ppm1=4.067 ppm2=7.285 assign ( resid 2049 and name HB3 ) ( resid 2049 and name HA ) 2.6 0.9 0.9 volume=4345376.500 peak=1867 ppm1=2.075 ppm2=4.330 assign ( resid 2100 and name HD2# ) ( resid 2104 and name HD22 ) 2.9 1.1 1.1 volume=2368296.750 peak=1194 ppm1=1.001 ppm2=7.830 assign ( resid 2052 and name HA ) ( resid 2052 and name HB3 or resid 2052 and name HB2 ) 2.0 0.5 0.5 volume=23801318.000 peak=1855 ppm1=4.470 ppm2=2.770 assign ( resid 2117 and name HB ) ( resid 2117 and name HG2# ) 2.1 0.5 0.5 volume=19760382.000 peak=483 ppm1=4.803 ppm2=1.170 assign ( resid 2134 and name HA ) ( resid 2134 and name H ) 2.5 0.8 0.8 volume=6684866.500 peak=1666 ppm1=3.703 ppm2=8.256 assign ( resid 2102 and name H ) ( resid 2074 and name HG2# or resid 2074 and name HG1# ) 2.8 1.0 1.0 volume=258709.578 peak=257 ppm1=8.689 ppm2=1.001 assign ( resid 2075 and name HA ) ( resid 2075 and name H ) 2.5 0.8 0.8 volume=6748172.000 peak=824 ppm1=4.309 ppm2=7.678 assign ( resid 2130 and name HG3 ) ( resid 2127 and name HA ) 2.7 0.9 0.9 volume=3915832.250 peak=1589 ppm1=2.224 ppm2=4.148 assign ( resid 2101 and name HA ) ( resid 2104 and name HB2 ) 2.5 0.8 0.8 volume=6793045.000 peak=1210 ppm1=4.141 ppm2=3.080 assign ( resid 2089 and name HE# ) ( resid 2089 and name HZ ) 2.4 0.7 0.7 volume=8569256.000 peak=1027 ppm1=7.643 ppm2=6.914 assign ( resid 2112 and name HD2# ) ( resid 2135 and name HD2 ) 3.1 1.2 1.2 volume=1586027.750 peak=1373 ppm1=0.756 ppm2=3.069 assign ( resid 2089 and name H ) ( resid 2090 and name H ) 2.9 1.1 1.1 volume=215269.406 peak=173 ppm1=8.653 ppm2=9.228 assign ( resid 2132 and name HA ) ( resid 2132 and name HD1# ) 2.0 0.5 0.5 volume=24316560.000 peak=1624 ppm1=3.556 ppm2=0.799 assign ( resid 2132 and name H ) ( resid 2131 and name H ) 2.7 0.9 0.9 volume=365800.844 peak=394 ppm1=8.603 ppm2=7.922 assign ( resid 2084 and name HB3 ) ( resid 2084 and name H ) 2.3 0.7 0.7 volume=10439809.000 peak=913 ppm1=3.972 ppm2=8.267 assign ( resid 2108 and name HB3 or resid 2108 and name HB2 ) ( resid 2108 and name HA ) 2.3 0.7 0.7 volume=9980291.000 peak=1327 ppm1=3.306 ppm2=4.380 assign ( resid 2089 and name HB2 ) ( resid 2090 and name H ) 3.1 1.2 1.2 volume=1568554.625 peak=1020 ppm1=2.799 ppm2=9.219 assign ( resid 2085 and name HD3 ) ( resid 2085 and name HB2 ) 2.9 1.1 1.1 volume=2301104.250 peak=965 ppm1=4.061 ppm2=2.420 assign ( resid 2102 and name HD2# ) ( resid 2070 and name H or resid 2102 and name H or resid 2105 and name H ) 2.7 0.9 0.9 volume=3632700.000 peak=1223 ppm1=0.806 ppm2=8.669 assign ( resid 2103 and name H ) ( resid 2103 and name HA ) 2.7 0.9 0.9 volume=368175.406 peak=197 ppm1=7.811 ppm2=3.732 assign ( resid 2098 and name H ) ( resid 2097 and name H ) 2.4 0.7 0.7 volume=793933.625 peak=228 ppm1=8.979 ppm2=8.233 assign ( resid 2059 and name HA ) ( resid 2062 and name HG2# ) 2.9 1.1 1.1 volume=2392311.250 peak=1783 ppm1=3.831 ppm2=1.194 assign ( resid 2075 and name H ) ( resid 2075 and name HB3 ) 2.5 0.8 0.8 volume=542966.000 peak=137 ppm1=7.668 ppm2=1.569 assign ( resid 2116 and name HB3 ) ( resid 2116 and name HB2 ) 1.9 0.4 0.4 volume=34319076.000 peak=1924 ppm1=2.016 ppm2=2.308 assign ( resid 2107 and name H ) ( resid 2107 and name HB ) 2.3 0.7 0.7 volume=928602.312 peak=293 ppm1=9.119 ppm2=4.367 assign ( resid 2101 and name H ) ( resid 2098 and name HA or resid 2101 and name HA ) 2.4 0.7 0.7 volume=759659.688 peak=4 ppm1=7.544 ppm2=4.112 assign ( resid 2090 and name H ) ( resid 2090 and name HB2 ) 2.3 0.6 0.6 volume=974786.938 peak=182 ppm1=9.223 ppm2=1.742 assign ( resid 2069 and name HA ) ( resid 2072 and name H ) 2.8 1.0 1.0 volume=2860631.500 peak=749 ppm1=4.077 ppm2=8.388 assign ( resid 2121 and name HA ) ( resid 2121 and name HB3 ) 2.2 0.6 0.6 volume=11511668.000 peak=740 ppm1=4.030 ppm2=1.898 assign ( resid 2083 and name HD1# ) ( resid 2072 and name H ) 2.5 0.8 0.8 volume=5465652.000 peak=937 ppm1=0.744 ppm2=8.376 assign ( resid 2056 and name HB3 ) ( resid 2056 and name HA ) 2.3 0.7 0.7 volume=9162294.000 peak=591 ppm1=2.495 ppm2=4.355 assign ( resid 2071 and name HB ) ( resid 2102 and name HD1# ) 2.7 0.9 0.9 volume=3469862.250 peak=519 ppm1=3.694 ppm2=0.501 assign ( resid 2101 and name HG2 ) ( resid 2100 and name HD1# or resid 2100 and name HD2# ) 2.4 0.7 0.7 volume=8272701.500 peak=1213 ppm1=2.402 ppm2=1.005 assign ( resid 2119 and name HG2# ) ( resid 2089 and name HA or resid 2096 and name HA or resid 2098 and name HB or resid 2098 and name HA or resid 2100 and name HA or resid 2117 and name HA or resid 2118 and name HA ) 2.9 1.1 1.1 volume=2462499.750 peak=1424 ppm1=0.427 ppm2=4.168 assign ( resid 2131 and name HA ) ( resid 2134 and name H ) 3.1 1.2 1.2 volume=1804426.250 peak=1597 ppm1=4.256 ppm2=8.247 assign ( resid 2082 and name HB2 ) ( resid 2079 and name HG2# ) 2.9 1.0 1.0 volume=2610614.500 peak=918 ppm1=3.982 ppm2=1.212 assign ( resid 2083 and name HG2# ) ( resid 2068 and name H or resid 2069 and name H ) 3.1 1.2 1.2 volume=1821619.000 peak=935 ppm1=0.786 ppm2=8.579 assign ( resid 2103 and name HD3 ) ( resid 2103 and name HG3 ) 2.7 0.9 0.9 volume=3902942.000 peak=556 ppm1=3.213 ppm2=1.385 assign ( resid 2102 and name HD1# ) ( resid 2094 and name HD1# or resid 2102 and name HD2# ) 1.7 0.4 0.4 volume=55919152.000 peak=1267 ppm1=0.503 ppm2=0.793 assign ( resid 2056 and name HB3 or resid 2085 and name HB2 or resid 2115 and name HB2 or resid 2116 and name HB2 ) ( resid 2056 and name HB2 or resid 2085 and name HB3 or resid 2115 and name HB3 or resid 2116 and name HB3 ) 1.7 0.4 0.4 volume=61213264.000 peak=547 ppm1=2.419 ppm2=2.000 assign ( resid 2137 and name H ) ( resid 2137 and name HA ) 2.6 0.8 0.8 volume=456986.594 peak=416 ppm1=7.591 ppm2=4.371 assign ( resid 2106 and name HD2# ) ( resid 2106 and name HG ) 2.2 0.6 0.6 volume=14822606.000 peak=1317 ppm1=0.810 ppm2=1.820 assign ( resid 2119 and name HG12 ) ( resid 2099 and name HA or resid 2119 and name HA ) 2.8 1.0 1.0 volume=3077013.500 peak=452 ppm1=0.806 ppm2=3.764 assign ( resid 2073 and name H ) ( resid 2074 and name H ) 2.7 0.9 0.9 volume=316597.406 peak=123 ppm1=8.188 ppm2=7.907 assign ( resid 2097 and name HB2 ) ( resid 2097 and name HA ) 2.3 0.7 0.7 volume=9288780.000 peak=490 ppm1=1.761 ppm2=4.402 assign ( resid 2136 and name H ) ( resid 2136 and name HB3 ) 2.3 0.7 0.7 volume=964009.938 peak=413 ppm1=8.138 ppm2=1.768 assign ( resid 2069 and name HA ) ( resid 2072 and name HB# ) 2.3 0.6 0.6 volume=10620539.000 peak=761 ppm1=4.079 ppm2=1.426 assign ( resid 2102 and name HD2# ) ( resid 2102 and name HG ) 1.9 0.5 0.5 volume=31279108.000 peak=1262 ppm1=0.806 ppm2=1.303 assign ( resid 2122 and name HB3 ) ( resid 2128 and name H ) 3.3 1.4 1.4 volume=1149566.250 peak=1458 ppm1=2.361 ppm2=8.878 assign ( resid 2079 and name HB ) ( resid 2080 and name HD2 ) 2.6 0.8 0.8 volume=5111376.500 peak=871 ppm1=4.372 ppm2=3.715 assign ( resid 2119 and name HB ) ( resid 2099 and name HA or resid 2119 and name HA ) 2.6 0.9 0.9 volume=4588563.000 peak=465 ppm1=1.705 ppm2=3.843 assign ( resid 2103 and name HD2 ) ( resid 2103 and name HA or resid 2115 and name HD3 ) 3.2 1.3 1.3 volume=1305127.375 peak=1890 ppm1=3.047 ppm2=3.710 assign ( resid 2063 and name HB3 ) ( resid 2129 and name HG2# ) 2.4 0.7 0.7 volume=7991332.500 peak=836 ppm1=1.329 ppm2=1.087 assign ( resid 2094 and name HG13 ) ( resid 2089 and name HB2 ) 3.0 1.1 1.1 volume=2163152.250 peak=1114 ppm1=1.542 ppm2=2.799 assign ( resid 2084 and name H ) ( resid 2083 and name HG2# ) 2.6 0.9 0.9 volume=398514.062 peak=162 ppm1=8.289 ppm2=0.776 assign ( resid 2088 and name HB# ) ( resid 2088 and name HA ) 2.0 0.5 0.5 volume=22918248.000 peak=755 ppm1=1.537 ppm2=4.444 assign ( resid 2128 and name HD1# ) ( resid 2067 and name HA ) 2.9 1.1 1.1 volume=2393429.500 peak=1569 ppm1=1.006 ppm2=3.536 assign ( resid 2058 and name H ) ( resid 2057 and name HA or resid 2058 and name HA ) 2.5 0.8 0.8 volume=543760.625 peak=43 ppm1=7.941 ppm2=4.147 assign ( resid 2098 and name HA ) ( resid 2098 and name HG2# ) 2.0 0.5 0.5 volume=22514652.000 peak=1173 ppm1=4.068 ppm2=1.392 assign ( resid 2118 and name HB3 ) ( resid 2118 and name H ) 2.7 0.9 0.9 volume=4138365.750 peak=1390 ppm1=2.062 ppm2=7.402 assign ( resid 2048 and name HD2 ) ( resid 2047 and name HB2 or resid 2047 and name HB3 ) 3.3 1.4 1.4 volume=1173848.875 peak=1875 ppm1=6.945 ppm2=3.794 assign ( resid 2112 and name HD1# ) ( resid 2135 and name HD2 ) 2.9 1.1 1.1 volume=2492006.250 peak=1374 ppm1=0.670 ppm2=3.072 assign ( resid 2124 and name HG2# ) ( resid 2125 and name HD2 ) 2.4 0.7 0.7 volume=7752279.500 peak=1494 ppm1=1.002 ppm2=3.724 assign ( resid 2100 and name HA ) ( resid 2100 and name H ) 2.5 0.8 0.8 volume=6447848.000 peak=1182 ppm1=4.160 ppm2=7.283 assign ( resid 2098 and name HA ) ( resid 2102 and name H ) 3.2 1.3 1.3 volume=1336891.000 peak=1880 ppm1=4.069 ppm2=8.686 assign ( resid 2059 and name H ) ( resid 2054 and name HD2# or resid 2054 and name HD1# or resid 2063 and name HD1# ) 3.0 1.1 1.1 volume=198155.688 peak=49 ppm1=9.114 ppm2=0.853 assign ( resid 2103 and name HG3 ) ( resid 2103 and name HD2 ) 2.9 1.1 1.1 volume=2445296.250 peak=1279 ppm1=1.406 ppm2=3.044 assign ( resid 2097 and name H ) ( resid 2097 and name HA ) 2.5 0.8 0.8 volume=566606.562 peak=219 ppm1=8.239 ppm2=4.408 assign ( resid 2126 and name HD2 ) ( resid 2130 and name HG3 or resid 2130 and name HG2 ) 3.1 1.2 1.2 volume=1579406.000 peak=1523 ppm1=6.925 ppm2=2.189 assign ( resid 2058 and name HG3 or resid 2058 and name HG2 ) ( resid 2054 and name HD2# or resid 2054 and name HD1# ) 2.5 0.8 0.8 volume=6570141.500 peak=1749 ppm1=2.469 ppm2=0.841 assign ( resid 2052 and name HB3 or resid 2052 and name HB2 ) ( resid 2052 and name H ) 2.9 1.0 1.0 volume=2735969.750 peak=1854 ppm1=2.772 ppm2=8.301 assign ( resid 2103 and name HD2 ) ( resid 2116 and name HA ) 2.9 1.1 1.1 volume=2336455.500 peak=1891 ppm1=3.049 ppm2=4.091 assign ( resid 2083 and name HG13 ) ( resid 2083 and name HB ) 2.4 0.7 0.7 volume=7513245.000 peak=944 ppm1=1.460 ppm2=2.192 assign ( resid 2089 and name HE# ) ( resid 2125 and name HA ) 2.9 1.0 1.0 volume=2634284.250 peak=1029 ppm1=7.642 ppm2=4.112 assign ( resid 2135 and name HD3 ) ( resid 2114 and name HD2# or resid 2132 and name HD1# ) 2.9 1.1 1.1 volume=2417009.750 peak=1701 ppm1=2.926 ppm2=0.881 assign ( resid 2119 and name H ) ( resid 2119 and name HA ) 3.0 1.1 1.1 volume=193221.062 peak=357 ppm1=8.227 ppm2=3.843 assign ( resid 2063 and name HB3 ) ( resid 2063 and name HA ) 2.6 0.8 0.8 volume=4784289.000 peak=840 ppm1=1.321 ppm2=4.120 assign ( resid 2119 and name HA ) ( resid 2122 and name H ) 3.0 1.2 1.2 volume=1911648.250 peak=1419 ppm1=3.845 ppm2=7.313 assign ( resid 2054 and name HB2 ) ( resid 2059 and name HG3 ) 3.0 1.1 1.1 volume=1928320.500 peak=1845 ppm1=1.858 ppm2=2.827 assign ( resid 2133 and name H ) ( resid 2132 and name HA ) 2.9 1.1 1.1 volume=227097.906 peak=400 ppm1=8.537 ppm2=3.549 assign ( resid 2114 and name H ) ( resid 2107 and name HG2# ) 2.7 0.9 0.9 volume=320501.719 peak=338 ppm1=7.863 ppm2=1.355 assign ( resid 2098 and name HA or resid 2116 and name HA ) ( resid 2101 and name HB2 or resid 2116 and name HB3 ) 1.9 0.5 0.5 volume=29808916.000 peak=1175 ppm1=4.067 ppm2=2.089 assign ( resid 2092 and name H ) ( resid 2092 and name HA ) 2.5 0.8 0.8 volume=527161.688 peak=199 ppm1=7.823 ppm2=4.377 assign ( resid 2109 and name H ) ( resid 2108 and name HA ) 2.9 1.1 1.1 volume=219343.719 peak=302 ppm1=8.280 ppm2=4.397 assign ( resid 2066 and name HA ) ( resid 2067 and name H ) 2.8 1.0 1.0 volume=2905566.750 peak=682 ppm1=4.232 ppm2=8.809 assign ( resid 2113 and name HA ) ( resid 2107 and name HG2# ) 2.5 0.8 0.8 volume=6289599.000 peak=1385 ppm1=4.637 ppm2=1.334 assign ( resid 2112 and name HG ) ( resid 2112 and name H ) 2.6 0.8 0.8 volume=5274567.000 peak=927 ppm1=1.416 ppm2=7.640 assign ( resid 2122 and name HB3 ) ( resid 2122 and name HB2 ) 2.3 0.7 0.7 volume=9570868.000 peak=1464 ppm1=2.372 ppm2=3.142 assign ( resid 2089 and name HA ) ( resid 2089 and name H ) 2.8 1.0 1.0 volume=2844391.250 peak=1004 ppm1=4.166 ppm2=8.646 assign ( resid 2066 and name H ) ( resid 2062 and name HG2# or resid 2065 and name HG2# ) 3.0 1.1 1.1 volume=184281.797 peak=89 ppm1=7.754 ppm2=1.307 assign ( resid 2080 and name HD2 or resid 2115 and name HD3 ) ( resid 2079 and name HA or resid 2114 and name HA ) 2.7 0.9 0.9 volume=3688710.750 peak=890 ppm1=3.704 ppm2=4.935 assign ( resid 2127 and name HB# ) ( resid 2126 and name HD2 ) 3.1 1.2 1.2 volume=1576514.000 peak=1539 ppm1=1.712 ppm2=6.906 assign ( resid 2132 and name HD2# ) ( resid 2132 and name H ) 2.3 0.7 0.7 volume=9816933.000 peak=1619 ppm1=0.799 ppm2=8.585 assign ( resid 2112 and name HB2 ) ( resid 2112 and name HB3 ) 2.2 0.6 0.6 volume=12174820.000 peak=1363 ppm1=1.065 ppm2=1.591 assign ( resid 2094 and name HB ) ( resid 2094 and name HA ) 2.8 1.0 1.0 volume=2976999.500 peak=1106 ppm1=1.718 ppm2=4.008 assign ( resid 2057 and name HA ) ( resid 2057 and name HG3 ) 2.1 0.5 0.5 volume=20080150.000 peak=605 ppm1=4.083 ppm2=2.453 assign ( resid 2133 and name HB2 ) ( resid 2063 and name HD2# ) 2.5 0.8 0.8 volume=6761670.000 peak=1645 ppm1=2.980 ppm2=0.866 assign ( resid 2080 and name HB2 or resid 2115 and name HB3 or resid 2116 and name HB3 ) ( resid 2080 and name HD3 or resid 2116 and name HD3 or resid 2116 and name HD2 ) 2.4 0.7 0.7 volume=8588097.000 peak=600 ppm1=2.019 ppm2=3.925 assign ( resid 2111 and name HA3 ) ( resid 2111 and name H ) 2.5 0.8 0.8 volume=6339438.500 peak=1356 ppm1=3.795 ppm2=8.208 assign ( resid 2097 and name HA ) ( resid 2097 and name HB3 ) 2.3 0.7 0.7 volume=10207406.000 peak=494 ppm1=4.412 ppm2=2.018 assign ( resid 2102 and name HG ) ( resid 2102 and name HD2# ) 2.0 0.5 0.5 volume=22202256.000 peak=1258 ppm1=1.323 ppm2=0.802 assign ( resid 2119 and name HG13 ) ( resid 2103 and name HA or resid 2119 and name HA ) 3.0 1.1 1.1 volume=2057122.625 peak=451 ppm1=1.271 ppm2=3.800 assign ( resid 2066 and name HA ) ( resid 2066 and name HG or resid 2069 and name HB# ) 2.1 0.6 0.6 volume=16595722.000 peak=649 ppm1=4.232 ppm2=1.566 assign ( resid 2134 and name HA ) ( resid 2137 and name HG2# ) 3.0 1.1 1.1 volume=2032714.375 peak=1676 ppm1=3.698 ppm2=0.989 assign ( resid 2071 and name HG2# or resid 2107 and name HG2# or resid 2110 and name HG2# ) ( resid 2049 and name HG3 or resid 2049 and name HG2 or resid 2113 and name HB3 or resid 2125 and name HD3 ) 2.9 1.1 1.1 volume=2349822.250 peak=677 ppm1=1.323 ppm2=2.502 assign ( resid 2094 and name HG12 ) ( resid 2089 and name HE# or resid 2094 and name H ) 2.7 0.9 0.9 volume=4190575.250 peak=1109 ppm1=1.431 ppm2=7.545 assign ( resid 2087 and name HG2# ) ( resid 2091 and name H ) 2.7 0.9 0.9 volume=3943401.250 peak=994 ppm1=1.360 ppm2=7.178 assign ( resid 2066 and name HA ) ( resid 2066 and name HB3 ) 2.3 0.7 0.7 volume=9997325.000 peak=685 ppm1=4.229 ppm2=1.981 assign ( resid 2124 and name H ) ( resid 2123 and name HB2 or resid 2123 and name HB3 ) 2.9 1.0 1.0 volume=254220.297 peak=372 ppm1=7.438 ppm2=2.356 assign ( resid 2137 and name H ) ( resid 2136 and name HB3 ) 2.7 0.9 0.9 volume=323827.750 peak=418 ppm1=7.591 ppm2=1.755 assign ( resid 2126 and name HA ) ( resid 2067 and name HG1# or resid 2129 and name HG2# ) 2.7 0.9 0.9 volume=4132579.000 peak=1517 ppm1=4.278 ppm2=1.087 assign ( resid 2059 and name HG3 ) ( resid 2059 and name HE21 ) 3.2 1.3 1.3 volume=1456032.125 peak=1760 ppm1=2.825 ppm2=7.081 assign ( resid 2131 and name H ) ( resid 2132 and name H ) 2.5 0.8 0.8 volume=532267.500 peak=385 ppm1=7.928 ppm2=8.608 assign ( resid 2080 and name HD3 ) ( resid 2079 and name HG2# ) 2.7 0.9 0.9 volume=4180754.500 peak=895 ppm1=3.935 ppm2=1.211 assign ( resid 2123 and name HD2 ) ( resid 2123 and name HB2 or resid 2123 and name HB3 ) 2.5 0.8 0.8 volume=5582842.500 peak=1483 ppm1=3.652 ppm2=2.356 assign ( resid 2133 and name HB3 ) ( resid 2133 and name HB2 ) 2.2 0.6 0.6 volume=12272172.000 peak=1646 ppm1=3.283 ppm2=2.988 assign ( resid 2114 and name H ) ( resid 2113 and name HA ) 2.2 0.6 0.6 volume=1175411.125 peak=339 ppm1=7.865 ppm2=4.638 assign ( resid 2089 and name HZ ) ( resid 2083 and name HG2# or resid 2102 and name HD2# or resid 2106 and name HD2# or resid 2106 and name HD1# ) 2.9 1.1 1.1 volume=2265752.750 peak=1037 ppm1=6.916 ppm2=0.783 assign ( resid 2135 and name HD2 ) ( resid 2114 and name HD2# or resid 2132 and name HD1# or resid 2132 and name HD2# ) 2.9 1.0 1.0 volume=2579336.750 peak=1699 ppm1=3.054 ppm2=0.885 assign ( resid 2068 and name HA ) ( resid 2083 and name HG2# ) 2.3 0.7 0.7 volume=10274406.000 peak=742 ppm1=4.038 ppm2=0.776 assign ( resid 2055 and name HB2 ) ( resid 2058 and name HG3 or resid 2058 and name HG2 ) 3.0 1.2 1.2 volume=1914215.000 peak=583 ppm1=4.037 ppm2=2.471 assign ( resid 2120 and name H ) ( resid 2117 and name HA ) 2.7 0.9 0.9 volume=385081.312 peak=246 ppm1=7.495 ppm2=4.273 assign ( resid 2048 and name HA ) ( resid 2048 and name HB3 or resid 2048 and name HB2 ) 2.0 0.5 0.5 volume=24626152.000 peak=536 ppm1=4.741 ppm2=3.081 assign ( resid 2140 and name HB2 ) ( resid 2140 and name HA ) 2.3 0.7 0.7 volume=10442283.000 peak=1742 ppm1=3.192 ppm2=4.473 assign ( resid 2082 and name H ) ( resid 2081 and name HG2 or resid 2081 and name HG3 ) 3.0 1.1 1.1 volume=200807.500 peak=151 ppm1=8.110 ppm2=2.309 assign ( resid 2056 and name HA ) ( resid 2133 and name HE1 ) 3.1 1.2 1.2 volume=1582296.125 peak=589 ppm1=4.378 ppm2=7.736 assign ( resid 2071 and name HB ) ( resid 2067 and name HG2# or resid 2074 and name HG1# or resid 2128 and name HD1# ) 2.4 0.7 0.7 volume=7418832.000 peak=517 ppm1=3.694 ppm2=1.055 assign ( resid 2104 and name HD21 ) ( resid 2104 and name HB3 ) 2.8 1.0 1.0 volume=265869.438 peak=274 ppm1=6.951 ppm2=2.874 assign ( resid 2107 and name HA ) ( resid 2114 and name HD1# ) 2.7 0.9 0.9 volume=3834082.500 peak=507 ppm1=4.227 ppm2=1.211 assign ( resid 2132 and name HG ) ( resid 2132 and name HD1# or resid 2132 and name HD2# ) 1.9 0.5 0.5 volume=31023748.000 peak=1625 ppm1=2.103 ppm2=0.799 assign ( resid 2066 and name HB2 ) ( resid 2066 and name H ) 2.4 0.7 0.7 volume=8415003.000 peak=680 ppm1=1.789 ppm2=7.771 assign ( resid 2075 and name HA ) ( resid 2075 and name HD2# ) 1.9 0.4 0.4 volume=34959616.000 peak=830 ppm1=4.313 ppm2=0.809 assign ( resid 2082 and name H ) ( resid 2079 and name HG2# ) 2.9 1.1 1.1 volume=209852.188 peak=153 ppm1=8.110 ppm2=1.200 assign ( resid 2060 and name HA ) ( resid 2063 and name HB3 ) 3.0 1.1 1.1 volume=1970354.750 peak=1788 ppm1=3.532 ppm2=1.321 assign ( resid 2131 and name HB3 ) ( resid 2131 and name HB2 ) 2.3 0.7 0.7 volume=9023478.000 peak=1607 ppm1=2.543 ppm2=2.843 assign ( resid 2059 and name H ) ( resid 2059 and name HG3 ) 2.6 0.8 0.8 volume=437913.531 peak=45 ppm1=9.112 ppm2=2.842 assign ( resid 2115 and name HD2 ) ( resid 2118 and name HD2# ) 2.9 1.0 1.0 volume=2656998.250 peak=1912 ppm1=3.976 ppm2=1.105 assign ( resid 2082 and name HB2 ) ( resid 2082 and name HA ) 2.2 0.6 0.6 volume=12177276.000 peak=914 ppm1=3.983 ppm2=4.427 assign ( resid 2108 and name HB3 or resid 2108 and name HB2 ) ( resid 2105 and name HA ) 2.6 0.8 0.8 volume=5180335.000 peak=1328 ppm1=3.298 ppm2=4.127 assign ( resid 2049 and name HB2 ) ( resid 2049 and name HA ) 2.5 0.8 0.8 volume=5436337.500 peak=1866 ppm1=1.993 ppm2=4.331 assign ( resid 2118 and name HD2# ) ( resid 2131 and name HD2 ) 2.4 0.7 0.7 volume=7402510.500 peak=1406 ppm1=1.103 ppm2=6.048 assign ( resid 2126 and name HB2 ) ( resid 2126 and name HD2 ) 3.0 1.2 1.2 volume=1888224.500 peak=1521 ppm1=2.906 ppm2=6.920 assign ( resid 2094 and name HB ) ( resid 2094 and name H ) 2.2 0.6 0.6 volume=11895529.000 peak=529 ppm1=1.719 ppm2=7.529 assign ( resid 2111 and name H ) ( resid 2107 and name HG2# or resid 2110 and name HG2# or resid 2112 and name HG ) 3.0 1.1 1.1 volume=179789.734 peak=324 ppm1=8.204 ppm2=1.310 assign ( resid 2057 and name HB2 or resid 2060 and name HB3 ) ( resid 2057 and name HE22 or resid 2060 and name HE22 ) 3.2 1.3 1.3 volume=1340474.875 peak=1804 ppm1=1.970 ppm2=7.044 assign ( resid 2102 and name HD1# ) ( resid 2089 and name HZ ) 3.1 1.2 1.2 volume=1645888.375 peak=1229 ppm1=0.502 ppm2=6.921 assign ( resid 2060 and name H ) ( resid 2060 and name HA ) 2.7 0.9 0.9 volume=339501.125 peak=54 ppm1=7.976 ppm2=3.532 assign ( resid 2103 and name HD2 ) ( resid 2118 and name HG ) 3.1 1.2 1.2 volume=1824942.250 peak=1888 ppm1=3.042 ppm2=1.603 assign ( resid 2050 and name HG3 ) ( resid 2050 and name HD3 or resid 2050 and name HD2 ) 2.1 0.6 0.6 volume=16619246.000 peak=558 ppm1=1.712 ppm2=3.214 assign ( resid 2099 and name H ) ( resid 2097 and name H ) 3.0 1.1 1.1 volume=205687.453 peak=235 ppm1=9.125 ppm2=8.240 assign ( resid 2126 and name HA ) ( resid 2126 and name H ) 2.5 0.8 0.8 volume=6703442.000 peak=1512 ppm1=4.276 ppm2=9.072 assign ( resid 2083 and name HD1# ) ( resid 2068 and name H or resid 2069 and name H or resid 2070 and name H ) 3.1 1.2 1.2 volume=1607058.000 peak=936 ppm1=0.746 ppm2=8.577 assign ( resid 2090 and name HB3 ) ( resid 2090 and name HG3 or resid 2090 and name HG2 ) 2.0 0.5 0.5 volume=25728320.000 peak=1064 ppm1=1.931 ppm2=1.511 assign ( resid 2059 and name HG3 ) ( resid 2054 and name HB2 or resid 2059 and name HB2 ) 2.7 0.9 0.9 volume=4204322.500 peak=1785 ppm1=2.833 ppm2=1.848 assign ( resid 2131 and name HA ) ( resid 2132 and name H ) 2.8 0.9 0.9 volume=3421841.000 peak=1596 ppm1=4.252 ppm2=8.594 assign ( resid 2083 and name HD1# ) ( resid 2071 and name H or resid 2084 and name H ) 2.8 1.0 1.0 volume=3387799.500 peak=938 ppm1=0.745 ppm2=8.216 assign ( resid 2062 and name HB or resid 2065 and name HB or resid 2105 and name HB ) ( resid 2064 and name H or resid 2067 and name H or resid 2104 and name H ) 3.0 1.2 1.2 volume=1880096.500 peak=661 ppm1=4.328 ppm2=8.880 assign ( resid 2123 and name HG2 ) ( resid 2123 and name HD3 ) 2.6 0.9 0.9 volume=4719206.000 peak=1490 ppm1=2.033 ppm2=3.401 assign ( resid 2085 and name HB3 ) ( resid 2085 and name HA ) 2.3 0.7 0.7 volume=8887257.000 peak=979 ppm1=1.963 ppm2=4.226 assign ( resid 2121 and name HB2 ) ( resid 2121 and name HB3 ) 2.2 0.6 0.6 volume=14477553.000 peak=1454 ppm1=2.349 ppm2=1.900 assign ( resid 2105 and name HG2# or resid 2107 and name HG2# ) ( resid 2108 and name HB3 or resid 2108 and name HB2 ) 2.7 0.9 0.9 volume=3670034.500 peak=674 ppm1=1.322 ppm2=3.292 assign ( resid 2109 and name H ) ( resid 2109 and name HB3 ) 2.6 0.9 0.9 volume=422476.188 peak=306 ppm1=8.276 ppm2=2.698 assign ( resid 2119 and name HB ) ( resid 2119 and name HG13 ) 2.3 0.6 0.6 volume=11275832.000 peak=461 ppm1=1.708 ppm2=1.272 assign ( resid 2135 and name H ) ( resid 2135 and name HG2 or resid 2135 and name HG3 ) 2.3 0.7 0.7 volume=948595.125 peak=409 ppm1=7.924 ppm2=1.175 assign ( resid 2049 and name HE# ) ( resid 2110 and name HA ) 2.6 0.8 0.8 volume=4817790.500 peak=544 ppm1=2.019 ppm2=4.525 assign ( resid 2082 and name H ) ( resid 2082 and name HB3 ) 2.7 0.9 0.9 volume=369499.812 peak=150 ppm1=8.108 ppm2=3.940 assign ( resid 2104 and name HB3 ) ( resid 2101 and name HA or resid 2105 and name HA ) 2.6 0.9 0.9 volume=4698000.500 peak=1283 ppm1=2.886 ppm2=4.135 assign ( resid 2135 and name HG2 or resid 2135 and name HG3 ) ( resid 2131 and name HA or resid 2134 and name HB or resid 2136 and name HA ) 2.9 1.0 1.0 volume=2552867.250 peak=1692 ppm1=1.180 ppm2=4.244 assign ( resid 2059 and name HG3 ) ( resid 2059 and name HA ) 2.9 1.1 1.1 volume=2283547.250 peak=1763 ppm1=2.847 ppm2=3.821 assign ( resid 2112 and name HA ) ( resid 2112 and name H ) 2.7 0.9 0.9 volume=3718411.500 peak=1357 ppm1=4.281 ppm2=7.646 assign ( resid 2097 and name HB3 ) ( resid 2097 and name HA ) 2.4 0.7 0.7 volume=7924970.000 peak=488 ppm1=2.026 ppm2=4.408 assign ( resid 2136 and name H ) ( resid 2136 and name HA ) 2.7 0.9 0.9 volume=359358.438 peak=412 ppm1=8.142 ppm2=4.233 assign ( resid 2098 and name HG2# ) ( resid 2075 and name HD2# ) 2.1 0.6 0.6 volume=17456170.000 peak=1165 ppm1=1.396 ppm2=0.770 assign ( resid 2109 and name HD21 ) ( resid 2105 and name HG2# or resid 2110 and name HG2# ) 2.7 0.9 0.9 volume=352059.125 peak=310 ppm1=7.429 ppm2=1.321 assign ( resid 2102 and name HB3 ) ( resid 2102 and name HA ) 2.7 0.9 0.9 volume=4074676.000 peak=1235 ppm1=1.510 ppm2=3.978 assign ( resid 2077 and name HE1 ) ( resid 2075 and name HG or resid 2092 and name HG ) 3.4 1.4 1.4 volume=1052674.875 peak=860 ppm1=7.679 ppm2=1.714 assign ( resid 2080 and name HB2 ) ( resid 2081 and name H ) 2.9 1.1 1.1 volume=2307930.750 peak=886 ppm1=2.079 ppm2=9.068 assign ( resid 2065 and name HA ) ( resid 2065 and name HG2# ) 2.0 0.5 0.5 volume=20728842.000 peak=657 ppm1=4.007 ppm2=1.319 assign ( resid 2133 and name HB3 ) ( resid 2063 and name HD2# ) 2.6 0.8 0.8 volume=5344907.500 peak=1644 ppm1=3.287 ppm2=0.865 assign ( resid 2135 and name HA ) ( resid 2134 and name HG2# or resid 2135 and name HG2 or resid 2135 and name HG3 ) 2.2 0.6 0.6 volume=12391024.000 peak=1698 ppm1=3.964 ppm2=1.187 assign ( resid 2133 and name HB3 ) ( resid 2133 and name HD2 ) 3.4 1.4 1.4 volume=998445.438 peak=1643 ppm1=3.286 ppm2=6.650 assign ( resid 2050 and name HB2 ) ( resid 2050 and name H ) 3.2 1.3 1.3 volume=1317473.500 peak=562 ppm1=1.939 ppm2=8.713 assign ( resid 2126 and name H ) ( resid 2127 and name H ) 2.8 1.0 1.0 volume=295267.750 peak=34 ppm1=9.065 ppm2=8.432 assign ( resid 2072 and name HA ) ( resid 2072 and name H ) 2.6 0.8 0.8 volume=5109548.000 peak=787 ppm1=3.700 ppm2=8.380 assign ( resid 2090 and name HG3 or resid 2090 and name HG2 ) ( resid 2090 and name HE3 or resid 2090 and name HE2 ) 2.3 0.7 0.7 volume=9894097.000 peak=1068 ppm1=1.487 ppm2=3.033 assign ( resid 2118 and name HA ) ( resid 2118 and name HD2# ) 2.2 0.6 0.6 volume=13073741.000 peak=624 ppm1=4.080 ppm2=1.098 assign ( resid 2066 and name HD2# ) ( resid 2109 and name HB3 ) 2.6 0.9 0.9 volume=4727510.000 peak=701 ppm1=0.797 ppm2=2.693 assign ( resid 2049 and name HE# ) ( resid 2047 and name HB2 or resid 2047 and name HB3 ) 2.5 0.8 0.8 volume=6314409.500 peak=545 ppm1=2.023 ppm2=3.797 assign ( resid 2135 and name HD3 ) ( resid 2135 and name HB2 or resid 2135 and name HB3 ) 2.6 0.9 0.9 volume=4729809.500 peak=1706 ppm1=2.928 ppm2=1.650 assign ( resid 2128 and name HD1# ) ( resid 2089 and name HD# ) 3.1 1.2 1.2 volume=1672391.625 peak=1571 ppm1=1.003 ppm2=7.158 assign ( resid 2081 and name H ) ( resid 2081 and name HA ) 2.7 0.9 0.9 volume=339916.156 peak=145 ppm1=9.069 ppm2=4.117 assign ( resid 2124 and name H ) ( resid 2124 and name HB or resid 2124 and name HA ) 2.5 0.8 0.8 volume=530453.750 peak=7 ppm1=7.438 ppm2=4.440 assign ( resid 2119 and name HG2# ) ( resid 2099 and name HB# or resid 2119 and name HG13 ) 2.1 0.5 0.5 volume=19756776.000 peak=453 ppm1=0.425 ppm2=1.270 assign ( resid 2066 and name HD2# ) ( resid 2109 and name HA or resid 2110 and name HA ) 2.8 1.0 1.0 volume=2872904.750 peak=697 ppm1=0.799 ppm2=4.545 assign ( resid 2103 and name HG2 ) ( resid 2103 and name HD3 ) 3.1 1.2 1.2 volume=1601991.250 peak=1281 ppm1=1.995 ppm2=3.212 assign ( resid 2113 and name HB3 ) ( resid 2113 and name HA ) 2.5 0.8 0.8 volume=6513438.000 peak=1381 ppm1=2.536 ppm2=4.633 assign ( resid 2083 and name HB ) ( resid 2083 and name H ) 2.3 0.7 0.7 volume=9326494.000 peak=923 ppm1=2.200 ppm2=7.599 assign ( resid 2131 and name HD2 ) ( resid 2132 and name HD2# ) 2.5 0.8 0.8 volume=6460492.000 peak=1614 ppm1=6.048 ppm2=0.807 assign ( resid 2132 and name HB3 ) ( resid 2132 and name HB2 ) 2.2 0.6 0.6 volume=13432520.000 peak=1631 ppm1=1.207 ppm2=2.041 assign ( resid 2088 and name HA ) ( resid 2124 and name HG2# ) 2.1 0.6 0.6 volume=17054582.000 peak=1001 ppm1=4.451 ppm2=1.007 assign ( resid 2109 and name HB3 ) ( resid 2109 and name H ) 2.7 0.9 0.9 volume=4206166.000 peak=1334 ppm1=2.688 ppm2=8.255 assign ( resid 2133 and name HD2 ) ( resid 2059 and name HB3 ) 3.1 1.2 1.2 volume=1703610.250 peak=1657 ppm1=6.643 ppm2=2.586 assign ( resid 2057 and name H ) ( resid 2057 and name HB2 ) 2.4 0.7 0.7 volume=640641.125 peak=425 ppm1=8.514 ppm2=2.061 assign ( resid 2123 and name HB2 or resid 2123 and name HB3 ) ( resid 2123 and name HA ) 2.6 0.9 0.9 volume=4698592.000 peak=1476 ppm1=2.356 ppm2=5.156 assign ( resid 2054 and name H ) ( resid 2054 and name HD2# or resid 2054 and name HD1# ) 2.6 0.8 0.8 volume=474226.125 peak=26 ppm1=7.402 ppm2=0.836 assign ( resid 2074 and name HA ) ( resid 2075 and name H ) 2.8 1.0 1.0 volume=3114489.500 peak=809 ppm1=4.007 ppm2=7.660 assign ( resid 2089 and name HA ) ( resid 2089 and name HB2 or resid 2089 and name HB3 ) 2.5 0.8 0.8 volume=6306989.500 peak=1010 ppm1=4.169 ppm2=2.792 assign ( resid 2093 and name HA3 ) ( resid 2075 and name HD1# ) 2.5 0.8 0.8 volume=5849558.000 peak=1103 ppm1=4.477 ppm2=0.784 assign ( resid 2118 and name HG ) ( resid 2119 and name H ) 3.2 1.3 1.3 volume=1327778.000 peak=1404 ppm1=1.561 ppm2=8.204 assign ( resid 2102 and name HD1# ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2128 and name HD1# ) 2.2 0.6 0.6 volume=15053044.000 peak=1266 ppm1=0.502 ppm2=1.031 assign ( resid 2094 and name HG2# ) ( resid 2094 and name HB ) 2.0 0.5 0.5 volume=21533068.000 peak=1136 ppm1=0.761 ppm2=1.717 assign ( resid 2050 and name HA ) ( resid 2050 and name HB3 or resid 2050 and name HB2 ) 2.3 0.7 0.7 volume=9577525.000 peak=1858 ppm1=4.481 ppm2=1.930 assign ( resid 2055 and name H ) ( resid 2054 and name HB3 ) 2.8 1.0 1.0 volume=284442.969 peak=30 ppm1=9.051 ppm2=1.581 assign ( resid 2054 and name HD1# ) ( resid 2054 and name H ) 2.6 0.8 0.8 volume=5067710.500 peak=842 ppm1=0.818 ppm2=7.414 assign ( resid 2060 and name HA ) ( resid 2061 and name HA or resid 2063 and name HA or resid 2064 and name HA or resid 2130 and name HA ) 3.0 1.1 1.1 volume=2223065.000 peak=1793 ppm1=3.529 ppm2=4.094 assign ( resid 2060 and name HB2 ) ( resid 2060 and name HA ) 2.4 0.7 0.7 volume=8757733.000 peak=1590 ppm1=2.109 ppm2=3.529 assign ( resid 2092 and name HB3 ) ( resid 2092 and name HB2 ) 2.2 0.6 0.6 volume=12019947.000 peak=1087 ppm1=1.600 ppm2=2.111 assign ( resid 2119 and name HA ) ( resid 2119 and name HB ) 2.4 0.7 0.7 volume=7387080.500 peak=469 ppm1=3.852 ppm2=1.708 assign ( resid 2119 and name HD1# ) ( resid 2103 and name HG2 or resid 2106 and name HB3 or resid 2118 and name HB3 or resid 2128 and name HB2 ) 2.7 0.9 0.9 volume=3587418.500 peak=1433 ppm1=0.221 ppm2=2.045 assign ( resid 2098 and name HG2# ) ( resid 2101 and name HG2 ) 2.9 1.0 1.0 volume=2756022.250 peak=1166 ppm1=1.394 ppm2=2.395 assign ( resid 2087 and name HB ) ( resid 2092 and name HD2# ) 2.6 0.8 0.8 volume=5013722.000 peak=990 ppm1=3.977 ppm2=0.775 assign ( resid 2087 and name HB ) ( resid 2092 and name HD1# ) 2.5 0.8 0.8 volume=5959846.500 peak=989 ppm1=3.974 ppm2=0.927 assign ( resid 2056 and name HD2 or resid 2056 and name HD3 ) ( resid 2055 and name HB3 or resid 2056 and name HA ) 2.9 1.0 1.0 volume=2615977.000 peak=604 ppm1=3.969 ppm2=4.412 assign ( resid 2120 and name HD# ) ( resid 2117 and name HA or resid 2120 and name HA ) 2.6 0.8 0.8 volume=4905432.000 peak=1445 ppm1=7.189 ppm2=4.245 assign ( resid 2117 and name HG2# ) ( resid 2118 and name H or resid 2120 and name HE# or resid 2120 and name H ) 2.9 1.1 1.1 volume=2321660.000 peak=1386 ppm1=1.167 ppm2=7.390 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=6540448.500 peak=928 ppm1=4.014 ppm2=7.564 assign ( resid 2132 and name HD1# ) ( resid 2132 and name HA ) 1.9 0.4 0.4 volume=32630274.000 peak=1632 ppm1=0.798 ppm2=3.550 assign ( resid 2089 and name HB3 ) ( resid 2089 and name H ) 3.1 1.2 1.2 volume=1783825.250 peak=1005 ppm1=2.746 ppm2=8.667 assign ( resid 2118 and name HD1# ) ( resid 2118 and name H or resid 2120 and name H or resid 2122 and name H ) 2.9 1.0 1.0 volume=2591943.500 peak=1393 ppm1=0.925 ppm2=7.389 assign ( resid 2050 and name HA ) ( resid 2050 and name HB3 or resid 2050 and name HB2 ) 2.4 0.7 0.7 volume=8162772.500 peak=1859 ppm1=4.481 ppm2=1.834 assign ( resid 2127 and name HB# ) ( resid 2122 and name HB2 ) 2.8 1.0 1.0 volume=3133005.500 peak=1540 ppm1=1.710 ppm2=3.148 assign ( resid 2089 and name HB2 ) ( resid 2102 and name HD1# or resid 2119 and name HG2# ) 3.0 1.1 1.1 volume=2129015.250 peak=1012 ppm1=2.801 ppm2=0.423 assign ( resid 2059 and name HG2 ) ( resid 2059 and name HG3 ) 2.5 0.8 0.8 volume=5957816.000 peak=1772 ppm1=2.342 ppm2=2.833 assign ( resid 2099 and name H ) ( resid 2100 and name H ) 2.7 0.9 0.9 volume=336938.812 peak=234 ppm1=9.121 ppm2=7.282 assign ( resid 2119 and name HG12 ) ( resid 2119 and name H ) 2.7 0.9 0.9 volume=3507060.500 peak=450 ppm1=0.806 ppm2=8.213 assign ( resid 2135 and name HD3 ) ( resid 2135 and name HG2 or resid 2135 and name HG3 ) 2.2 0.6 0.6 volume=12177830.000 peak=1704 ppm1=2.926 ppm2=1.177 assign ( resid 2080 and name HB2 ) ( resid 2068 and name HB# or resid 2069 and name HB# ) 2.5 0.8 0.8 volume=6538821.000 peak=888 ppm1=2.087 ppm2=1.649 assign ( resid 2088 and name H ) ( resid 2087 and name HA ) 2.0 0.5 0.5 volume=2197257.250 peak=169 ppm1=8.775 ppm2=4.000 assign ( resid 2099 and name HB# ) ( resid 2099 and name HA ) 2.0 0.5 0.5 volume=23612498.000 peak=1181 ppm1=1.280 ppm2=3.745 assign ( resid 2137 and name HG2# ) ( resid 2137 and name HB ) 1.9 0.4 0.4 volume=32483244.000 peak=1729 ppm1=0.995 ppm2=4.226 assign ( resid 2138 and name HA ) ( resid 2138 and name HG3 or resid 2138 and name HG2 ) 2.2 0.6 0.6 volume=14972382.000 peak=1297 ppm1=4.400 ppm2=2.414 assign ( resid 2057 and name H ) ( resid 2056 and name HB3 or resid 2057 and name HG2 ) 2.6 0.9 0.9 volume=424764.062 peak=40 ppm1=8.513 ppm2=2.463 assign ( resid 2058 and name HB2 ) ( resid 2054 and name HB3 ) 2.8 1.0 1.0 volume=3022718.250 peak=647 ppm1=2.442 ppm2=1.564 assign ( resid 2084 and name HB2 or resid 2084 and name HB3 ) ( resid 2084 and name HA ) 2.7 0.9 0.9 volume=3604514.000 peak=954 ppm1=3.974 ppm2=4.866 assign ( resid 2133 and name HB2 ) ( resid 2133 and name HB3 ) 2.2 0.6 0.6 volume=13071079.000 peak=1647 ppm1=2.980 ppm2=3.277 assign ( resid 2089 and name HB3 ) ( resid 2094 and name HB ) 2.6 0.8 0.8 volume=4828814.500 peak=1018 ppm1=2.775 ppm2=1.718 assign ( resid 2125 and name HD3 ) ( resid 2125 and name HG2 ) 2.8 1.0 1.0 volume=2996618.000 peak=1506 ppm1=2.539 ppm2=1.910 assign ( resid 2102 and name HB2 ) ( resid 2119 and name HD1# ) 3.1 1.2 1.2 volume=1528891.000 peak=1246 ppm1=1.849 ppm2=0.215 assign ( resid 2060 and name HG3 ) ( resid 2129 and name HG2# ) 2.7 0.9 0.9 volume=3534740.500 peak=1802 ppm1=1.941 ppm2=1.089 assign ( resid 2120 and name H ) ( resid 2120 and name HB3 ) 2.6 0.8 0.8 volume=475926.031 peak=247 ppm1=7.497 ppm2=3.186 assign ( resid 2132 and name HB2 ) ( resid 2132 and name H ) 2.6 0.8 0.8 volume=4844538.000 peak=1617 ppm1=2.031 ppm2=8.586 assign ( resid 2116 and name HD3 or resid 2116 and name HD2 ) ( resid 2117 and name H ) 3.0 1.1 1.1 volume=2078009.875 peak=1920 ppm1=3.895 ppm2=6.740 assign ( resid 2133 and name HB2 ) ( resid 2134 and name H ) 2.9 1.1 1.1 volume=2381817.250 peak=1641 ppm1=2.980 ppm2=8.253 assign ( resid 2133 and name H ) ( resid 2130 and name HA ) 2.8 1.0 1.0 volume=309196.531 peak=402 ppm1=8.532 ppm2=4.007 assign ( resid 2106 and name HB2 ) ( resid 2106 and name H ) 2.8 1.0 1.0 volume=3350448.000 peak=1303 ppm1=1.091 ppm2=8.316 assign ( resid 2104 and name HD21 ) ( resid 2104 and name HB2 ) 2.6 0.9 0.9 volume=431320.188 peak=273 ppm1=6.947 ppm2=3.089 assign ( resid 2098 and name H ) ( resid 2098 and name HA ) 2.6 0.8 0.8 volume=436123.688 peak=227 ppm1=8.978 ppm2=4.062 assign ( resid 2118 and name HB3 ) ( resid 2118 and name HD2# ) 2.6 0.8 0.8 volume=5330749.500 peak=1401 ppm1=2.053 ppm2=1.089 assign ( resid 2139 and name HB2 or resid 2139 and name HB3 ) ( resid 2139 and name HA ) 1.8 0.4 0.4 volume=41970276.000 peak=915 ppm1=3.864 ppm2=4.436 assign ( resid 2133 and name HD2 ) ( resid 2063 and name HD1# or resid 2063 and name HD2# ) 2.2 0.6 0.6 volume=12547164.000 peak=1653 ppm1=6.642 ppm2=0.866 assign ( resid 2122 and name HB2 ) ( resid 2128 and name HD2# ) 2.5 0.8 0.8 volume=5706921.000 peak=1466 ppm1=3.147 ppm2=1.039 assign ( resid 2061 and name H ) ( resid 2062 and name H ) 2.6 0.8 0.8 volume=466824.500 peak=431 ppm1=8.113 ppm2=8.380 assign ( resid 2102 and name HA or resid 2130 and name HA ) ( resid 2103 and name H or resid 2130 and name H or resid 2131 and name H ) 2.3 0.6 0.6 volume=10933806.000 peak=1225 ppm1=3.981 ppm2=7.896 assign ( resid 2135 and name HD3 ) ( resid 2131 and name HE1 ) 3.0 1.1 1.1 volume=2032853.500 peak=1715 ppm1=2.929 ppm2=7.736 assign ( resid 2085 and name HG3 ) ( resid 2086 and name H ) 2.8 1.0 1.0 volume=3296754.500 peak=974 ppm1=2.034 ppm2=7.612 assign ( resid 2068 and name HB# or resid 2069 and name HB# ) ( resid 2066 and name HD1# or resid 2083 and name HG2# or resid 2083 and name HD1# ) 2.3 0.6 0.6 volume=10855345.000 peak=764 ppm1=1.553 ppm2=0.825 assign ( resid 2100 and name HD2# ) ( resid 2104 and name HD21 ) 2.5 0.8 0.8 volume=5926653.500 peak=714 ppm1=1.060 ppm2=6.937 assign ( resid 2080 and name HA ) ( resid 2083 and name HD1# ) 2.5 0.8 0.8 volume=5634792.000 peak=882 ppm1=4.259 ppm2=0.755 assign ( resid 2115 and name HB3 ) ( resid 2117 and name H ) 2.6 0.8 0.8 volume=5108623.000 peak=1907 ppm1=2.013 ppm2=6.747 assign ( resid 2102 and name HD1# ) ( resid 2089 and name HD# ) 3.1 1.2 1.2 volume=1827702.875 peak=1228 ppm1=0.502 ppm2=7.152 assign ( resid 2072 and name HB# ) ( resid 2072 and name HA ) 2.0 0.5 0.5 volume=25374682.000 peak=531 ppm1=1.398 ppm2=3.701 assign ( resid 2106 and name H ) ( resid 2106 and name HG ) 2.4 0.7 0.7 volume=695014.062 peak=290 ppm1=8.320 ppm2=1.824 assign ( resid 2135 and name HG2 or resid 2135 and name HG3 ) ( resid 2135 and name HD3 ) 2.4 0.7 0.7 volume=7092587.500 peak=1696 ppm1=1.178 ppm2=2.923 assign ( resid 2068 and name H ) ( resid 2067 and name H ) 2.5 0.8 0.8 volume=496864.875 peak=106 ppm1=8.567 ppm2=8.808 assign ( resid 2089 and name H ) ( resid 2088 and name HB# ) 2.4 0.7 0.7 volume=748714.562 peak=179 ppm1=8.653 ppm2=1.526 assign ( resid 2138 and name H ) ( resid 2137 and name HA or resid 2138 and name HA ) 2.4 0.7 0.7 volume=800387.938 peak=420 ppm1=7.744 ppm2=4.390 assign ( resid 2064 and name H ) ( resid 2129 and name HG2# ) 2.6 0.9 0.9 volume=407876.500 peak=70 ppm1=8.898 ppm2=1.093 assign ( resid 2086 and name H ) ( resid 2085 and name HG3 ) 2.6 0.8 0.8 volume=460974.875 peak=164 ppm1=7.617 ppm2=2.016 assign ( resid 2064 and name HB# ) ( resid 2064 and name H ) 1.9 0.5 0.5 volume=27615728.000 peak=752 ppm1=1.566 ppm2=8.887 assign ( resid 2083 and name HD1# ) ( resid 2068 and name HA or resid 2083 and name HA ) 2.1 0.5 0.5 volume=19811196.000 peak=940 ppm1=0.743 ppm2=4.026 assign ( resid 2128 and name HD2# ) ( resid 2131 and name HB3 ) 2.7 0.9 0.9 volume=3521054.750 peak=1567 ppm1=1.047 ppm2=2.521 assign ( resid 2123 and name HG3 ) ( resid 2123 and name HD3 ) 2.7 0.9 0.9 volume=3911360.750 peak=1491 ppm1=1.943 ppm2=3.405 assign ( resid 2052 and name H ) ( resid 2051 and name HA or resid 2052 and name HA ) 2.7 0.9 0.9 volume=345099.125 peak=9 ppm1=8.312 ppm2=4.480 assign ( resid 2067 and name HG1# or resid 2097 and name HD2# or resid 2118 and name HD2# or resid 2128 and name HD2# ) ( resid 2065 and name H or resid 2097 and name H or resid 2119 and name H ) 3.0 1.1 1.1 volume=2240946.750 peak=711 ppm1=1.064 ppm2=8.222 assign ( resid 2089 and name HZ ) ( resid 2068 and name HB# or resid 2094 and name HG13 or resid 2127 and name HB# or resid 2128 and name HG ) 3.3 1.4 1.4 volume=1068514.750 peak=1035 ppm1=6.913 ppm2=1.644 assign ( resid 2140 and name HB2 ) ( resid 2140 and name H ) 2.8 1.0 1.0 volume=3156794.000 peak=1740 ppm1=3.193 ppm2=8.034 assign ( resid 2135 and name HB3 ) ( resid 2112 and name HD1# or resid 2132 and name HD1# ) 2.5 0.8 0.8 volume=6688584.500 peak=1687 ppm1=1.671 ppm2=0.735 assign ( resid 2113 and name HB2 ) ( resid 2113 and name H ) 2.5 0.8 0.8 volume=6569199.000 peak=1377 ppm1=2.689 ppm2=8.556 assign ( resid 2128 and name HD2# ) ( resid 2122 and name HB2 ) 2.6 0.8 0.8 volume=4812768.000 peak=720 ppm1=1.057 ppm2=3.086 assign ( resid 2132 and name HG ) ( resid 2132 and name HB3 ) 2.7 0.9 0.9 volume=4084460.250 peak=1626 ppm1=2.103 ppm2=1.206 assign ( resid 2107 and name HB ) ( resid 2107 and name H ) 2.4 0.7 0.7 volume=7769255.000 peak=509 ppm1=4.350 ppm2=9.122 assign ( resid 2101 and name HB2 or resid 2101 and name HB3 ) ( resid 2104 and name HB2 ) 3.1 1.2 1.2 volume=1850630.875 peak=1748 ppm1=2.086 ppm2=3.053 assign ( resid 2102 and name HG ) ( resid 2102 and name HA ) 2.8 1.0 1.0 volume=2904405.250 peak=1236 ppm1=1.325 ppm2=3.979 assign ( resid 2080 and name HB3 ) ( resid 2068 and name HB# or resid 2069 and name HB# ) 2.5 0.8 0.8 volume=6528561.500 peak=887 ppm1=2.150 ppm2=1.649 assign ( resid 2097 and name HB3 or resid 2100 and name HB3 or resid 2106 and name HB3 or resid 2128 and name HB2 ) ( resid 2097 and name HD2# or resid 2100 and name HD1# or resid 2106 and name HB2 or resid 2128 and name HD2# or resid 2128 and name HD1# ) 2.0 0.5 0.5 volume=23920932.000 peak=1148 ppm1=1.992 ppm2=1.029 assign ( resid 2095 and name H ) ( resid 2094 and name HG2# or resid 2094 and name HD1# ) 2.4 0.7 0.7 volume=691945.438 peak=213 ppm1=8.000 ppm2=0.758 assign ( resid 2117 and name H ) ( resid 2116 and name HD3 ) 2.9 1.0 1.0 volume=242631.625 peak=342 ppm1=6.740 ppm2=3.942 assign ( resid 2103 and name HD2 ) ( resid 2117 and name H ) 3.3 1.3 1.3 volume=1203719.375 peak=1892 ppm1=3.049 ppm2=6.778 assign ( resid 2102 and name H ) ( resid 2102 and name HA ) 2.6 0.9 0.9 volume=420544.156 peak=259 ppm1=8.692 ppm2=3.985 assign ( resid 2099 and name H ) ( resid 2094 and name HG2# or resid 2094 and name HD1# ) 2.5 0.8 0.8 volume=499628.219 peak=230 ppm1=9.129 ppm2=0.771 assign ( resid 2121 and name H ) ( resid 2121 and name HB2 ) 2.5 0.8 0.8 volume=501992.594 peak=3 ppm1=8.007 ppm2=2.356 assign ( resid 2057 and name HA or resid 2118 and name HA ) ( resid 2057 and name HB3 or resid 2118 and name HB3 ) 1.9 0.5 0.5 volume=29210652.000 peak=625 ppm1=4.075 ppm2=2.113 assign ( resid 2057 and name HB3 ) ( resid 2057 and name HA ) 1.9 0.4 0.4 volume=32103218.000 peak=621 ppm1=2.124 ppm2=4.078 assign ( resid 2066 and name HA ) ( resid 2066 and name H ) 2.4 0.7 0.7 volume=7516852.500 peak=678 ppm1=4.233 ppm2=7.768 assign ( resid 2104 and name H ) ( resid 2103 and name H ) 2.6 0.9 0.9 volume=412587.469 peak=262 ppm1=8.868 ppm2=7.826 assign ( resid 2103 and name H ) ( resid 2104 and name H ) 3.0 1.1 1.1 volume=196138.531 peak=202 ppm1=7.815 ppm2=8.872 assign ( resid 2067 and name H ) ( resid 2064 and name HA or resid 2066 and name HA ) 2.7 0.9 0.9 volume=351418.156 peak=99 ppm1=8.811 ppm2=4.177 assign ( resid 2075 and name HD1# ) ( resid 2077 and name HD2 ) 3.0 1.1 1.1 volume=2075964.625 peak=1935 ppm1=0.783 ppm2=6.932 assign ( resid 2135 and name HG2 or resid 2135 and name HG3 ) ( resid 2136 and name H ) 3.0 1.2 1.2 volume=1911285.000 peak=1689 ppm1=1.177 ppm2=8.142 assign ( resid 2113 and name HA ) ( resid 2114 and name H ) 2.2 0.6 0.6 volume=13777501.000 peak=1382 ppm1=4.634 ppm2=7.860 assign ( resid 2083 and name HG12 ) ( resid 2083 and name H ) 2.5 0.8 0.8 volume=5479246.000 peak=924 ppm1=1.690 ppm2=7.609 assign ( resid 2131 and name HE1 ) ( resid 2118 and name HD2# or resid 2135 and name HG2 or resid 2135 and name HG3 ) 2.9 1.1 1.1 volume=2273354.250 peak=1615 ppm1=7.738 ppm2=1.180 assign ( resid 2054 and name HD2# or resid 2092 and name HD1# ) ( resid 2054 and name HG or resid 2054 and name HB3 or resid 2092 and name HG ) 1.8 0.4 0.4 volume=48004316.000 peak=1097 ppm1=0.906 ppm2=1.611 assign ( resid 2059 and name HB3 ) ( resid 2059 and name H ) 2.8 1.0 1.0 volume=3147285.500 peak=1752 ppm1=2.588 ppm2=9.118 assign ( resid 2124 and name H ) ( resid 2123 and name HA ) 2.8 1.0 1.0 volume=277583.062 peak=369 ppm1=7.430 ppm2=5.154 assign ( resid 2127 and name HB# ) ( resid 2127 and name H ) 2.1 0.5 0.5 volume=18236010.000 peak=1537 ppm1=1.710 ppm2=8.426 assign ( resid 2132 and name H ) ( resid 2132 and name HA ) 2.6 0.8 0.8 volume=456300.469 peak=388 ppm1=8.606 ppm2=3.544 assign ( resid 2059 and name HG2 ) ( resid 2059 and name HA ) 2.8 1.0 1.0 volume=3249723.250 peak=1765 ppm1=2.339 ppm2=3.824 assign ( resid 2119 and name HG12 ) ( resid 2119 and name HG13 ) 2.0 0.5 0.5 volume=20132296.000 peak=445 ppm1=0.806 ppm2=1.269 assign ( resid 2090 and name HA ) ( resid 2090 and name HB3 ) 2.2 0.6 0.6 volume=13472138.000 peak=1062 ppm1=4.301 ppm2=1.927 assign ( resid 2119 and name HA ) ( resid 2120 and name H ) 3.1 1.2 1.2 volume=1568235.125 peak=1420 ppm1=3.853 ppm2=7.493 assign ( resid 2058 and name HB3 ) ( resid 2054 and name HA ) 3.6 1.6 1.6 volume=739631.562 peak=640 ppm1=2.085 ppm2=4.656 assign ( resid 2092 and name HB2 ) ( resid 2092 and name HD2# ) 2.2 0.6 0.6 volume=14022055.000 peak=1088 ppm1=2.115 ppm2=0.778 assign ( resid 2135 and name HD2 ) ( resid 2135 and name HA ) 2.5 0.8 0.8 volume=6108851.500 peak=1711 ppm1=3.058 ppm2=3.959 assign ( resid 2127 and name H ) ( resid 2127 and name HB# ) 2.2 0.6 0.6 volume=1108404.875 peak=378 ppm1=8.428 ppm2=1.714 assign ( resid 2133 and name HB3 ) ( resid 2133 and name HA ) 2.7 0.9 0.9 volume=3824577.000 peak=1648 ppm1=3.287 ppm2=3.875 assign ( resid 2133 and name H ) ( resid 2133 and name HB2 ) 2.4 0.7 0.7 volume=726559.125 peak=398 ppm1=8.538 ppm2=2.986 assign ( resid 2112 and name HD1# ) ( resid 2111 and name H or resid 2136 and name H ) 3.2 1.3 1.3 volume=1486938.750 peak=1371 ppm1=0.671 ppm2=8.142 assign ( resid 2109 and name HB2 ) ( resid 2066 and name HD2# or resid 2066 and name HD1# ) 2.5 0.8 0.8 volume=6865005.500 peak=1343 ppm1=2.847 ppm2=0.823 assign ( resid 2135 and name HD3 ) ( resid 2135 and name H ) 3.2 1.3 1.3 volume=1297711.500 peak=1714 ppm1=2.921 ppm2=7.905 assign ( resid 2076 and name H ) ( resid 2075 and name HA ) 2.7 0.9 0.9 volume=334474.812 peak=139 ppm1=7.762 ppm2=4.319 assign ( resid 2081 and name HB3 or resid 2101 and name HB2 or resid 2138 and name HB3 or resid 2138 and name HB2 ) ( resid 2080 and name HD2 or resid 2099 and name HA or resid 2134 and name HA ) 2.8 1.0 1.0 volume=3289310.750 peak=1274 ppm1=2.140 ppm2=3.716 assign ( resid 2082 and name H ) ( resid 2081 and name HB3 or resid 2081 and name HB2 ) 2.7 0.9 0.9 volume=322716.719 peak=152 ppm1=8.109 ppm2=2.040 assign ( resid 2083 and name HA or resid 2094 and name HA ) ( resid 2083 and name HG2# or resid 2094 and name HG2# or resid 2094 and name HD1# ) 1.8 0.4 0.4 volume=43578032.000 peak=930 ppm1=4.014 ppm2=0.758 assign ( resid 2101 and name HA ) ( resid 2104 and name H ) 2.6 0.8 0.8 volume=4920910.500 peak=1204 ppm1=4.135 ppm2=8.872 assign ( resid 2104 and name HB3 ) ( resid 2104 and name HD21 ) 2.8 1.0 1.0 volume=3116950.750 peak=1293 ppm1=2.891 ppm2=6.952 assign ( resid 2059 and name HG2 ) ( resid 2059 and name HE22 ) 2.8 1.0 1.0 volume=2831078.500 peak=1758 ppm1=2.342 ppm2=7.406 assign ( resid 2119 and name HG13 ) ( resid 2119 and name HG2# ) 2.5 0.8 0.8 volume=5978569.500 peak=441 ppm1=1.271 ppm2=0.432 assign ( resid 2103 and name HD3 ) ( resid 2117 and name H ) 3.4 1.4 1.4 volume=1022393.500 peak=1861 ppm1=3.222 ppm2=6.798 assign ( resid 2075 and name H ) ( resid 2072 and name HB# or resid 2075 and name HB2 or resid 2098 and name HG2# ) 2.6 0.9 0.9 volume=407468.750 peak=138 ppm1=7.663 ppm2=1.358 assign ( resid 2090 and name H ) ( resid 2091 and name H ) 2.6 0.8 0.8 volume=441126.094 peak=186 ppm1=9.224 ppm2=7.161 assign ( resid 2074 and name HB ) ( resid 2074 and name HG1# ) 1.9 0.5 0.5 volume=31868064.000 peak=814 ppm1=2.216 ppm2=1.034 assign ( resid 2066 and name H ) ( resid 2066 and name HB3 ) 2.5 0.8 0.8 volume=584905.688 peak=86 ppm1=7.760 ppm2=1.986 assign ( resid 2055 and name H or resid 2126 and name H ) ( resid 2055 and name HB3 or resid 2124 and name HB ) 2.4 0.7 0.7 volume=748218.438 peak=35 ppm1=9.064 ppm2=4.434 assign ( resid 2121 and name HA ) ( resid 2121 and name HB2 ) 2.4 0.7 0.7 volume=7858708.500 peak=739 ppm1=4.029 ppm2=2.345 assign ( resid 2102 and name HD2# ) ( resid 2071 and name HB or resid 2103 and name HA ) 2.2 0.6 0.6 volume=13709567.000 peak=1242 ppm1=0.806 ppm2=3.698 assign ( resid 2051 and name HA ) ( resid 2051 and name HB2 ) 2.4 0.7 0.7 volume=7868288.000 peak=571 ppm1=4.508 ppm2=1.715 assign ( resid 2101 and name H ) ( resid 2100 and name HD1# or resid 2100 and name HD2# ) 3.0 1.1 1.1 volume=184748.969 peak=251 ppm1=7.545 ppm2=0.990 assign ( resid 2056 and name HB2 or resid 2085 and name HB3 or resid 2115 and name HB3 ) ( resid 2056 and name HB3 or resid 2085 and name HB2 or resid 2115 and name HB2 ) 1.9 0.4 0.4 volume=36378612.000 peak=602 ppm1=2.006 ppm2=2.453 assign ( resid 2063 and name HD2# ) ( resid 2133 and name HA ) 2.1 0.5 0.5 volume=19794574.000 peak=1825 ppm1=0.872 ppm2=3.852 assign ( resid 2115 and name HG2 ) ( resid 2118 and name H ) 2.9 1.0 1.0 volume=2685104.500 peak=1918 ppm1=1.930 ppm2=7.416 assign ( resid 2103 and name HD3 ) ( resid 2100 and name HA or resid 2116 and name HA ) 2.9 1.1 1.1 volume=2337160.250 peak=552 ppm1=3.205 ppm2=4.088 assign ( resid 2120 and name HE# ) ( resid 2096 and name H4A or resid 2096 and name H4 or resid 2099 and name HB# or resid 2117 and name HG2# ) 2.7 0.9 0.9 volume=3528801.250 peak=523 ppm1=7.296 ppm2=1.186 assign ( resid 2060 and name HG2 ) ( resid 2129 and name HG2# ) 2.7 0.9 0.9 volume=3936198.500 peak=1795 ppm1=2.120 ppm2=1.088 assign ( resid 2071 and name H ) ( resid 2070 and name H ) 2.6 0.8 0.8 volume=464768.531 peak=114 ppm1=8.201 ppm2=8.576 assign ( resid 2130 and name HG3 ) ( resid 2130 and name HE22 or resid 2130 and name HE21 ) 2.5 0.8 0.8 volume=5871880.000 peak=1587 ppm1=2.224 ppm2=7.050 assign ( resid 2055 and name H ) ( resid 2055 and name HB2 ) 2.6 0.8 0.8 volume=477056.469 peak=27 ppm1=9.046 ppm2=4.046 assign ( resid 2097 and name HD1# ) ( resid 2097 and name HB3 ) 2.2 0.6 0.6 volume=14312832.000 peak=498 ppm1=0.946 ppm2=2.023 assign ( resid 2105 and name HA ) ( resid 2108 and name HB3 or resid 2108 and name HB2 ) 2.5 0.8 0.8 volume=6452833.500 peak=1300 ppm1=4.125 ppm2=3.313 assign ( resid 2128 and name H ) ( resid 2127 and name H ) 2.7 0.9 0.9 volume=340492.906 peak=264 ppm1=8.869 ppm2=8.432 assign ( resid 2067 and name HB ) ( resid 2067 and name HA ) 2.6 0.9 0.9 volume=4642378.500 peak=715 ppm1=2.257 ppm2=3.526 assign ( resid 2059 and name HB3 ) ( resid 2059 and name HA ) 2.9 1.1 1.1 volume=2362540.500 peak=1764 ppm1=2.590 ppm2=3.831 assign ( resid 2110 and name HA ) ( resid 2110 and name HB ) 2.3 0.7 0.7 volume=10535314.000 peak=1348 ppm1=4.527 ppm2=4.147 assign ( resid 2114 and name HB2 ) ( resid 2114 and name HA ) 3.6 1.6 1.6 volume=653596.688 peak=1899 ppm1=1.412 ppm2=4.904 assign ( resid 2110 and name HB ) ( resid 2112 and name H ) 2.9 1.1 1.1 volume=2371118.750 peak=1347 ppm1=4.153 ppm2=7.662 assign ( resid 2108 and name HA ) ( resid 2109 and name H or resid 2111 and name H ) 2.8 1.0 1.0 volume=2939523.750 peak=1325 ppm1=4.383 ppm2=8.249 assign ( resid 2065 and name H ) ( resid 2065 and name HG2# ) 2.8 1.0 1.0 volume=292718.750 peak=81 ppm1=8.306 ppm2=1.323 assign ( resid 2100 and name H ) ( resid 2099 and name HB# ) 2.6 0.8 0.8 volume=475785.094 peak=240 ppm1=7.282 ppm2=1.284 assign ( resid 2097 and name H ) ( resid 2097 and name HB2 or resid 2097 and name HG ) 2.3 0.7 0.7 volume=908197.562 peak=221 ppm1=8.237 ppm2=1.751 assign ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2114 and name HD2# ) ( resid 2074 and name HA or resid 2102 and name HA or resid 2115 and name HD2 ) 1.9 0.4 0.4 volume=33277306.000 peak=819 ppm1=0.993 ppm2=4.002 assign ( resid 2065 and name HA ) ( resid 2068 and name HB# ) 2.2 0.6 0.6 volume=13576183.000 peak=656 ppm1=4.008 ppm2=1.646 assign ( resid 2068 and name HB# ) ( resid 2083 and name HG2# or resid 2083 and name HD1# ) 2.1 0.6 0.6 volume=15996982.000 peak=745 ppm1=1.656 ppm2=0.775 assign ( resid 2085 and name HD2 ) ( resid 2085 and name HG2 or resid 2085 and name HG3 ) 2.0 0.5 0.5 volume=23672940.000 peak=971 ppm1=3.823 ppm2=2.044 assign ( resid 2060 and name HB3 ) ( resid 2060 and name HA ) 2.4 0.7 0.7 volume=7939169.000 peak=1803 ppm1=1.958 ppm2=3.530 assign ( resid 2077 and name HD2 ) ( resid 2072 and name HA or resid 2093 and name HA2 ) 3.5 1.6 1.6 volume=779097.750 peak=862 ppm1=6.875 ppm2=3.721 assign ( resid 2106 and name H ) ( resid 2105 and name HA or resid 2106 and name HA ) 2.5 0.8 0.8 volume=604459.312 peak=287 ppm1=8.324 ppm2=4.186 assign ( resid 2094 and name HG13 ) ( resid 2102 and name HD1# ) 3.1 1.2 1.2 volume=1614979.250 peak=1120 ppm1=1.538 ppm2=0.482 assign ( resid 2128 and name HB3 ) ( resid 2128 and name H or resid 2129 and name H ) 2.7 0.9 0.9 volume=4194385.500 peak=1550 ppm1=2.236 ppm2=8.880 assign ( resid 2075 and name H ) ( resid 2074 and name H ) 2.6 0.9 0.9 volume=420991.500 peak=132 ppm1=7.664 ppm2=7.884 assign ( resid 2090 and name H ) ( resid 2088 and name HA ) 2.9 1.0 1.0 volume=241731.188 peak=184 ppm1=9.221 ppm2=4.485 assign ( resid 2060 and name HB2 ) ( resid 2060 and name H ) 2.2 0.6 0.6 volume=12384175.000 peak=618 ppm1=2.132 ppm2=7.921 assign ( resid 2101 and name HB2 ) ( resid 2102 and name H ) 2.4 0.7 0.7 volume=7052942.000 peak=635 ppm1=2.099 ppm2=8.685 assign ( resid 2112 and name H ) ( resid 2112 and name HG ) 2.5 0.8 0.8 volume=616558.875 peak=328 ppm1=7.659 ppm2=1.403 assign ( resid 2081 and name HG2 or resid 2081 and name HG3 ) ( resid 2081 and name H ) 2.6 0.8 0.8 volume=5402953.000 peak=901 ppm1=2.315 ppm2=9.061 assign ( resid 2105 and name HG2# or resid 2110 and name HG2# ) ( resid 2109 and name HD21 or resid 2109 and name HD22 ) 2.4 0.7 0.7 volume=7000606.500 peak=668 ppm1=1.314 ppm2=7.418 assign ( resid 2066 and name HD1# or resid 2092 and name HD2# ) ( resid 2066 and name HA or resid 2089 and name HA or resid 2106 and name HA ) 2.3 0.7 0.7 volume=9295781.000 peak=1721 ppm1=0.870 ppm2=4.205 assign ( resid 2123 and name HB3 ) ( resid 2089 and name HD# ) 3.1 1.2 1.2 volume=1752082.250 peak=1488 ppm1=2.358 ppm2=7.157 assign ( resid 2052 and name HB3 or resid 2052 and name HB2 ) ( resid 2052 and name HA ) 2.2 0.6 0.6 volume=11926446.000 peak=1019 ppm1=2.772 ppm2=4.471 assign ( resid 2119 and name HG2# ) ( resid 2119 and name HA ) 2.3 0.6 0.6 volume=11391235.000 peak=1423 ppm1=0.425 ppm2=3.843 assign ( resid 2072 and name H ) ( resid 2072 and name HB# ) 2.2 0.6 0.6 volume=1097215.125 peak=121 ppm1=8.380 ppm2=1.401 assign ( resid 2124 and name HA ) ( resid 2125 and name HD3 ) 2.5 0.8 0.8 volume=5483381.500 peak=1496 ppm1=4.443 ppm2=2.532 assign ( resid 2054 and name HB3 ) ( resid 2054 and name HB2 ) 2.4 0.7 0.7 volume=8107656.000 peak=1849 ppm1=1.552 ppm2=1.846 assign ( resid 2106 and name HD2# ) ( resid 2106 and name HB3 ) 2.3 0.7 0.7 volume=9785930.000 peak=1316 ppm1=0.814 ppm2=1.972 assign ( resid 2105 and name H ) ( resid 2104 and name H ) 2.7 0.9 0.9 volume=335677.094 peak=279 ppm1=8.582 ppm2=8.889 assign ( resid 2071 and name H ) ( resid 2071 and name HB ) 2.6 0.9 0.9 volume=401424.781 peak=117 ppm1=8.200 ppm2=3.688 assign ( resid 2085 and name HB3 ) ( resid 2086 and name H ) 2.8 1.0 1.0 volume=3160269.250 peak=975 ppm1=1.960 ppm2=7.609 assign ( resid 2105 and name H ) ( resid 2102 and name HD2# or resid 2106 and name HD2# or resid 2106 and name HD1# ) 2.9 1.1 1.1 volume=222194.609 peak=282 ppm1=8.583 ppm2=0.810 assign ( resid 2140 and name HD2 ) ( resid 2140 and name HB3 ) 2.9 1.0 1.0 volume=2760877.000 peak=1744 ppm1=7.051 ppm2=3.071 assign ( resid 2065 and name HG2# or resid 2107 and name HG2# ) ( resid 2066 and name H or resid 2114 and name H ) 2.5 0.8 0.8 volume=6839685.500 peak=666 ppm1=1.324 ppm2=7.784 assign ( resid 2111 and name H ) ( resid 2111 and name HA2 ) 2.5 0.8 0.8 volume=609745.938 peak=322 ppm1=8.208 ppm2=4.152 assign ( resid 2131 and name HB3 ) ( resid 2131 and name H ) 2.5 0.8 0.8 volume=6520689.000 peak=1595 ppm1=2.539 ppm2=7.924 assign ( resid 2070 and name HA ) ( resid 2071 and name H or resid 2073 and name H ) 2.6 0.9 0.9 volume=4401819.000 peak=772 ppm1=4.178 ppm2=8.180 assign ( resid 2120 and name HB3 ) ( resid 2121 and name H ) 2.7 0.9 0.9 volume=3485528.250 peak=1435 ppm1=3.189 ppm2=7.998 assign ( resid 2062 and name H ) ( resid 2062 and name HG2# ) 2.9 1.0 1.0 volume=248158.297 peak=63 ppm1=8.393 ppm2=1.192 assign ( resid 2122 and name H ) ( resid 2122 and name HB2 ) 2.6 0.8 0.8 volume=451332.719 peak=364 ppm1=7.315 ppm2=3.154 assign ( resid 2068 and name H ) ( resid 2068 and name HA ) 2.3 0.7 0.7 volume=841764.688 peak=105 ppm1=8.564 ppm2=4.031 assign ( resid 2133 and name HA ) ( resid 2133 and name H ) 2.6 0.8 0.8 volume=4838777.500 peak=477 ppm1=3.856 ppm2=8.541 assign ( resid 2089 and name H ) ( resid 2124 and name HG2# ) 2.9 1.0 1.0 volume=248736.016 peak=178 ppm1=8.657 ppm2=1.002 assign ( resid 2118 and name HD1# ) ( resid 2119 and name HD1# ) 2.3 0.6 0.6 volume=10677168.000 peak=1413 ppm1=0.928 ppm2=0.217 assign ( resid 2098 and name HB ) ( resid 2098 and name H ) 2.9 1.0 1.0 volume=2570099.250 peak=1155 ppm1=4.197 ppm2=8.964 assign ( resid 2086 and name H ) ( resid 2086 and name HB# ) 2.1 0.6 0.6 volume=1444174.000 peak=163 ppm1=7.617 ppm2=1.327 assign ( resid 2088 and name HB# ) ( resid 2091 and name H ) 2.1 0.6 0.6 volume=15878956.000 peak=753 ppm1=1.535 ppm2=7.180 assign ( resid 2128 and name HD1# ) ( resid 2089 and name HZ ) 2.3 0.7 0.7 volume=10173388.000 peak=1568 ppm1=1.005 ppm2=6.914 assign ( resid 2049 and name HA ) ( resid 2049 and name HG3 or resid 2049 and name HG2 ) 2.4 0.7 0.7 volume=8425409.000 peak=548 ppm1=4.333 ppm2=2.429 assign ( resid 2124 and name HG2# ) ( resid 2088 and name HA or resid 2124 and name HB or resid 2124 and name HA ) 1.8 0.4 0.4 volume=49322512.000 peak=1493 ppm1=1.009 ppm2=4.435 assign ( resid 2086 and name HB# ) ( resid 2084 and name HB2 or resid 2085 and name HD3 or resid 2087 and name HA ) 2.5 0.8 0.8 volume=6069559.000 peak=986 ppm1=1.327 ppm2=3.993 assign ( resid 2067 and name HA ) ( resid 2068 and name H or resid 2070 and name H ) 2.5 0.8 0.8 volume=5628050.500 peak=706 ppm1=3.526 ppm2=8.565 assign ( resid 2119 and name HD1# ) ( resid 2119 and name HG2# ) 2.0 0.5 0.5 volume=24883936.000 peak=459 ppm1=0.221 ppm2=0.451 assign ( resid 2083 and name HG2# ) ( resid 2084 and name H ) 2.6 0.8 0.8 volume=5177245.500 peak=934 ppm1=0.785 ppm2=8.259 assign ( resid 2140 and name HB3 ) ( resid 2140 and name H ) 2.8 1.0 1.0 volume=3081907.250 peak=1741 ppm1=3.067 ppm2=8.035 assign ( resid 2061 and name HB3 ) ( resid 2061 and name HG3 or resid 2061 and name HG2 ) 1.8 0.4 0.4 volume=47796844.000 peak=601 ppm1=2.135 ppm2=2.453 assign ( resid 2060 and name H ) ( resid 2059 and name H ) 3.0 1.1 1.1 volume=206480.953 peak=50 ppm1=7.986 ppm2=9.123 assign ( resid 2101 and name H ) ( resid 2101 and name HB2 ) 2.3 0.6 0.6 volume=984740.500 peak=249 ppm1=7.545 ppm2=2.095 assign ( resid 2133 and name HD2 ) ( resid 2133 and name HB3 ) 3.2 1.3 1.3 volume=1313455.000 peak=1655 ppm1=6.640 ppm2=3.285 assign ( resid 2090 and name HA or resid 2120 and name HA ) ( resid 2091 and name H or resid 2120 and name HD# ) 2.4 0.7 0.7 volume=8551766.000 peak=1056 ppm1=4.289 ppm2=7.189 assign ( resid 2053 and name HA2 ) ( resid 2054 and name H ) 2.9 1.1 1.1 volume=2468517.500 peak=1852 ppm1=4.059 ppm2=7.402 assign ( resid 2127 and name HA ) ( resid 2130 and name HG2 or resid 2130 and name HB2 ) 2.5 0.8 0.8 volume=6341174.500 peak=1534 ppm1=4.141 ppm2=2.050 assign ( resid 2050 and name H ) ( resid 2049 and name HA ) 2.5 0.8 0.8 volume=616918.625 peak=13 ppm1=8.725 ppm2=4.330 assign ( resid 2069 and name HA ) ( resid 2069 and name H or resid 2070 and name H ) 2.3 0.7 0.7 volume=9469416.000 peak=747 ppm1=4.075 ppm2=8.628 assign ( resid 2128 and name HG ) ( resid 2089 and name HZ ) 3.1 1.2 1.2 volume=1531435.250 peak=1559 ppm1=1.641 ppm2=6.932 assign ( resid 2102 and name H ) ( resid 2094 and name HD1# or resid 2102 and name HD2# or resid 2119 and name HG12 ) 3.0 1.1 1.1 volume=194356.156 peak=258 ppm1=8.695 ppm2=0.801 assign ( resid 2094 and name HG2# ) ( resid 2089 and name HB2 ) 2.6 0.8 0.8 volume=5099660.500 peak=1117 ppm1=0.758 ppm2=2.782 assign ( resid 2119 and name HA ) ( resid 2119 and name HG2# ) 2.3 0.7 0.7 volume=9671210.000 peak=471 ppm1=3.849 ppm2=0.421 assign ( resid 2118 and name HD1# ) ( resid 2103 and name H ) 3.0 1.1 1.1 volume=1977198.750 peak=1418 ppm1=0.925 ppm2=7.822 assign ( resid 2075 and name HB3 or resid 2092 and name HB3 ) ( resid 2075 and name HA or resid 2092 and name HA ) 2.3 0.6 0.6 volume=11486677.000 peak=1085 ppm1=1.598 ppm2=4.354 assign ( resid 2064 and name HB# or resid 2069 and name HB# or resid 2088 and name HB# ) ( resid 2072 and name HA or resid 2080 and name HD2 or resid 2085 and name HD2 or resid 2123 and name HD2 or resid 2125 and name HD2 ) 3.0 1.1 1.1 volume=2157160.750 peak=758 ppm1=1.543 ppm2=3.723 assign ( resid 2049 and name HE# ) ( resid 2110 and name HG2# ) 1.9 0.5 0.5 volume=27249352.000 peak=543 ppm1=2.019 ppm2=1.210 assign ( resid 2050 and name HG3 ) ( resid 2050 and name H ) 3.2 1.3 1.3 volume=1344993.625 peak=1862 ppm1=1.712 ppm2=8.725 assign ( resid 2104 and name HB3 ) ( resid 2104 and name HA ) 2.7 0.9 0.9 volume=4207878.500 peak=1285 ppm1=2.886 ppm2=4.401 assign ( resid 2056 and name HB3 ) ( resid 2133 and name HE1 ) 3.1 1.2 1.2 volume=1669826.750 peak=595 ppm1=2.500 ppm2=7.741 assign ( resid 2101 and name HB2 or resid 2101 and name HB3 ) ( resid 2074 and name HG2# or resid 2074 and name HG1# or resid 2100 and name HD2# ) 2.1 0.6 0.6 volume=16036102.000 peak=1215 ppm1=2.098 ppm2=1.001 assign ( resid 2074 and name HG1# or resid 2124 and name HG2# or resid 2137 and name HG2# ) ( resid 2071 and name HA or resid 2088 and name HA or resid 2124 and name HB or resid 2124 and name HA or resid 2137 and name HA ) 2.1 0.5 0.5 volume=20049652.000 peak=1937 ppm1=1.090 ppm2=4.396 assign ( resid 2081 and name HB3 or resid 2101 and name HB2 or resid 2138 and name HB3 or resid 2138 and name HB2 ) ( resid 2080 and name HD2 or resid 2099 and name HA or resid 2134 and name HA ) 2.7 0.9 0.9 volume=3642887.250 peak=1275 ppm1=2.086 ppm2=3.719 assign ( resid 2083 and name HG13 ) ( resid 2083 and name H ) 2.5 0.8 0.8 volume=5647376.500 peak=926 ppm1=1.456 ppm2=7.610 assign ( resid 2101 and name HG2 ) ( resid 2101 and name H ) 2.4 0.7 0.7 volume=7078725.500 peak=1201 ppm1=2.402 ppm2=7.550 assign ( resid 2132 and name HD2# ) ( resid 2131 and name HD2 ) 3.4 1.5 1.5 volume=951497.000 peak=1634 ppm1=0.800 ppm2=6.058 assign ( resid 2059 and name HG2 ) ( resid 2059 and name H ) 2.9 1.0 1.0 volume=2685705.500 peak=1753 ppm1=2.342 ppm2=9.114 assign ( resid 2089 and name HE# ) ( resid 2071 and name HG2# ) 2.6 0.8 0.8 volume=5415741.000 peak=1043 ppm1=7.644 ppm2=1.263 assign ( resid 2122 and name H ) ( resid 2121 and name HB3 ) 2.8 1.0 1.0 volume=281834.156 peak=368 ppm1=7.315 ppm2=1.906 assign ( resid 2050 and name HA ) ( resid 2050 and name H or resid 2051 and name H ) 2.6 0.9 0.9 volume=4391663.000 peak=1857 ppm1=4.482 ppm2=8.729 assign ( resid 2127 and name HB# ) ( resid 2122 and name HB3 ) 2.5 0.8 0.8 volume=6483846.500 peak=1546 ppm1=1.710 ppm2=2.362 assign ( resid 2107 and name HA ) ( resid 2107 and name H ) 2.7 0.9 0.9 volume=3741785.250 peak=1319 ppm1=4.192 ppm2=9.127 assign ( resid 2126 and name H ) ( resid 2085 and name HB3 or resid 2125 and name HG2 ) 2.5 0.8 0.8 volume=571005.312 peak=38 ppm1=9.068 ppm2=1.993 assign ( resid 2061 and name HG3 ) ( resid 2061 and name H ) 2.5 0.8 0.8 volume=5655481.500 peak=606 ppm1=2.509 ppm2=8.102 assign ( resid 2049 and name HE# ) ( resid 2049 and name HG2 ) 2.2 0.6 0.6 volume=12334596.000 peak=546 ppm1=2.019 ppm2=2.470 assign ( resid 2068 and name HB# ) ( resid 2083 and name H ) 3.0 1.1 1.1 volume=2049387.250 peak=736 ppm1=1.657 ppm2=7.605 assign ( resid 2125 and name HA ) ( resid 2067 and name HG2# or resid 2067 and name HG1# ) 2.3 0.6 0.6 volume=10995313.000 peak=1499 ppm1=4.113 ppm2=1.112 assign ( resid 2057 and name HB2 ) ( resid 2057 and name H ) 2.7 0.9 0.9 volume=3649745.500 peak=617 ppm1=1.984 ppm2=8.521 assign ( resid 2131 and name H ) ( resid 2131 and name HB2 ) 2.4 0.7 0.7 volume=634755.312 peak=386 ppm1=7.924 ppm2=2.852 assign ( resid 2097 and name HB2 or resid 2102 and name HB2 ) ( resid 2098 and name HG2# or resid 2102 and name HG ) 2.3 0.7 0.7 volume=9526464.000 peak=1257 ppm1=1.847 ppm2=1.310 assign ( resid 2126 and name HE1 ) ( resid 2060 and name HE22 or resid 2130 and name HE22 or resid 2130 and name HE21 ) 3.1 1.2 1.2 volume=1650328.625 peak=1528 ppm1=7.649 ppm2=7.057 assign ( resid 2117 and name HA ) ( resid 2120 and name HD# ) 2.6 0.8 0.8 volume=4769167.000 peak=480 ppm1=4.208 ppm2=7.205 assign ( resid 2104 and name HA ) ( resid 2104 and name HB3 ) 2.3 0.7 0.7 volume=8882809.000 peak=1296 ppm1=4.409 ppm2=2.885 assign ( resid 2109 and name HB3 ) ( resid 2105 and name HG2# or resid 2110 and name HG2# ) 2.8 1.0 1.0 volume=3097178.500 peak=1344 ppm1=2.695 ppm2=1.288 assign ( resid 2093 and name H ) ( resid 2092 and name HB2 ) 3.0 1.1 1.1 volume=194297.859 peak=206 ppm1=7.486 ppm2=2.111 assign ( resid 2137 and name HG2# ) ( resid 2137 and name H ) 2.3 0.7 0.7 volume=10556440.000 peak=1726 ppm1=0.997 ppm2=7.591 assign ( resid 2083 and name HD1# ) ( resid 2071 and name HG2# ) 1.9 0.5 0.5 volume=28956808.000 peak=951 ppm1=0.743 ppm2=1.255 assign ( resid 2132 and name H ) ( resid 2132 and name HB3 or resid 2135 and name HG2 or resid 2135 and name HG3 ) 2.6 0.8 0.8 volume=447752.625 peak=393 ppm1=8.605 ppm2=1.214 assign ( resid 2117 and name HB ) ( resid 2117 and name HA ) 2.3 0.7 0.7 volume=9844780.000 peak=1388 ppm1=4.808 ppm2=4.213 assign ( resid 2137 and name H ) ( resid 2137 and name HG2# ) 2.6 0.8 0.8 volume=459033.281 peak=419 ppm1=7.593 ppm2=0.984 assign ( resid 2097 and name H ) ( resid 2096 and name HA ) 2.5 0.8 0.8 volume=539208.375 peak=220 ppm1=8.231 ppm2=4.217 assign ( resid 2086 and name H ) ( resid 2085 and name HD2 ) 2.9 1.0 1.0 volume=241792.797 peak=166 ppm1=7.613 ppm2=3.837 assign ( resid 2059 and name HG2 ) ( resid 2059 and name HE21 ) 3.1 1.2 1.2 volume=1621806.500 peak=1759 ppm1=2.352 ppm2=7.086 assign ( resid 2137 and name HA ) ( resid 2137 and name H ) 2.5 0.8 0.8 volume=5598709.000 peak=1723 ppm1=4.371 ppm2=7.594 assign ( resid 2123 and name HD3 ) ( resid 2123 and name HG3 or resid 2123 and name HG2 ) 2.4 0.7 0.7 volume=7712663.500 peak=1482 ppm1=3.407 ppm2=2.005 assign ( resid 2103 and name HG3 ) ( resid 2103 and name HA ) 2.7 0.9 0.9 volume=3528031.250 peak=1895 ppm1=1.401 ppm2=3.719 assign ( resid 2066 and name H ) ( resid 2066 and name HA ) 2.5 0.8 0.8 volume=607069.125 peak=85 ppm1=7.760 ppm2=4.280 assign ( resid 2095 and name HB2 ) ( resid 2096 and name HA ) 3.3 1.4 1.4 volume=1109060.250 peak=1144 ppm1=3.269 ppm2=4.199 assign ( resid 2076 and name HA3 or resid 2111 and name HA3 ) ( resid 2076 and name HA2 or resid 2111 and name HA2 ) 1.9 0.5 0.5 volume=29150398.000 peak=851 ppm1=3.783 ppm2=4.117 assign ( resid 2058 and name HB2 ) ( resid 2058 and name H ) 2.7 0.9 0.9 volume=3867939.500 peak=630 ppm1=2.446 ppm2=7.933 assign ( resid 2077 and name HE1 ) ( resid 2075 and name HD1# or resid 2083 and name HD1# ) 2.5 0.8 0.8 volume=6568242.500 peak=858 ppm1=7.680 ppm2=0.760 assign ( resid 2063 and name HD2# ) ( resid 2060 and name HA ) 2.4 0.7 0.7 volume=8781555.000 peak=1826 ppm1=0.874 ppm2=3.537 assign ( resid 2113 and name H ) ( resid 2112 and name HB2 ) 2.7 0.9 0.9 volume=340352.406 peak=331 ppm1=8.550 ppm2=1.074 assign ( resid 2098 and name HB ) ( resid 2098 and name HG2# ) 2.0 0.5 0.5 volume=25561646.000 peak=1170 ppm1=4.202 ppm2=1.390 assign ( resid 2088 and name HB# ) ( resid 2090 and name H ) 2.3 0.7 0.7 volume=10192792.000 peak=750 ppm1=1.535 ppm2=9.223 assign ( resid 2080 and name HB2 ) ( resid 2080 and name HA ) 2.3 0.6 0.6 volume=10754595.000 peak=884 ppm1=2.082 ppm2=4.256 assign ( resid 2121 and name HA ) ( resid 2121 and name H ) 2.5 0.8 0.8 volume=6670091.000 peak=732 ppm1=4.030 ppm2=7.998 assign ( resid 2132 and name H ) ( resid 2132 and name HB2 ) 2.3 0.6 0.6 volume=975381.000 peak=390 ppm1=8.606 ppm2=2.090 assign ( resid 2127 and name HB# ) ( resid 2130 and name H or resid 2131 and name H ) 3.0 1.1 1.1 volume=2087602.375 peak=1536 ppm1=1.712 ppm2=7.906 assign ( resid 2121 and name HB2 ) ( resid 2121 and name H ) 2.6 0.8 0.8 volume=4798779.500 peak=1446 ppm1=2.350 ppm2=7.997 assign ( resid 2132 and name HB2 ) ( resid 2132 and name HB3 ) 2.2 0.6 0.6 volume=12770281.000 peak=496 ppm1=2.033 ppm2=1.212 assign ( resid 2064 and name H ) ( resid 2063 and name H ) 2.7 0.9 0.9 volume=369581.281 peak=74 ppm1=8.896 ppm2=7.949 assign ( resid 2128 and name HB3 ) ( resid 2089 and name HE# ) 3.1 1.2 1.2 volume=1630466.625 peak=1556 ppm1=2.239 ppm2=7.649 assign ( resid 2059 and name H ) ( resid 2059 and name HB3 ) 2.6 0.8 0.8 volume=452886.750 peak=46 ppm1=9.117 ppm2=2.561 assign ( resid 2067 and name HG1# or resid 2118 and name HD2# or resid 2128 and name HD2# ) ( resid 2064 and name HA or resid 2118 and name HA or resid 2128 and name HA ) 1.9 0.5 0.5 volume=27617814.000 peak=716 ppm1=1.058 ppm2=4.129 assign ( resid 2122 and name H ) ( resid 2118 and name HA or resid 2121 and name HA ) 2.7 0.9 0.9 volume=336789.219 peak=366 ppm1=7.314 ppm2=4.038 assign ( resid 2118 and name HB2 ) ( resid 2118 and name HD2# or resid 2128 and name HD2# ) 2.6 0.9 0.9 volume=4523784.500 peak=1400 ppm1=1.717 ppm2=1.086 assign ( resid 2123 and name HB2 or resid 2123 and name HB3 ) ( resid 2088 and name HB# or resid 2090 and name HG2 or resid 2094 and name HG12 or resid 2094 and name HG13 or resid 2096 and name H3 ) 2.9 1.1 1.1 volume=2440854.000 peak=1486 ppm1=2.361 ppm2=1.529 assign ( resid 2103 and name HG2 ) ( resid 2103 and name HG3 ) 2.4 0.7 0.7 volume=8420242.000 peak=1897 ppm1=1.997 ppm2=1.396 assign ( resid 2089 and name HZ ) ( resid 2102 and name HD1# ) 3.2 1.3 1.3 volume=1302435.500 peak=1039 ppm1=6.908 ppm2=0.483 assign ( resid 2059 and name HB3 ) ( resid 2063 and name HD1# or resid 2063 and name HD2# ) 2.7 0.9 0.9 volume=4027804.250 peak=1779 ppm1=2.595 ppm2=0.860 assign ( resid 2097 and name HB2 ) ( resid 2097 and name HB3 ) 1.8 0.4 0.4 volume=50962264.000 peak=493 ppm1=1.776 ppm2=2.006 assign ( resid 2068 and name HB# ) ( resid 2067 and name HG1# ) 2.5 0.8 0.8 volume=5832081.000 peak=746 ppm1=1.656 ppm2=1.102 assign ( resid 2056 and name HA ) ( resid 2056 and name HB3 ) 2.3 0.7 0.7 volume=9259223.000 peak=586 ppm1=4.367 ppm2=2.504 assign ( resid 2118 and name HG ) ( resid 2118 and name HA ) 2.9 1.0 1.0 volume=2558913.750 peak=1408 ppm1=1.568 ppm2=4.087 assign ( resid 2070 and name HA ) ( resid 2070 and name H ) 2.3 0.7 0.7 volume=10482005.000 peak=769 ppm1=4.178 ppm2=8.562 assign ( resid 2135 and name HG2 or resid 2135 and name HG3 ) ( resid 2132 and name HA ) 2.8 1.0 1.0 volume=2809034.000 peak=1694 ppm1=1.176 ppm2=3.554 assign ( resid 2095 and name H ) ( resid 2094 and name HA ) 2.3 0.7 0.7 volume=842493.625 peak=214 ppm1=8.002 ppm2=3.999 assign ( resid 2090 and name H ) ( resid 2088 and name HB# or resid 2090 and name HG2 ) 2.3 0.7 0.7 volume=883150.250 peak=183 ppm1=9.224 ppm2=1.525 assign ( resid 2057 and name HB3 ) ( resid 2057 and name H ) 2.7 0.9 0.9 volume=4027992.000 peak=616 ppm1=2.117 ppm2=8.519 assign ( resid 2106 and name H ) ( resid 2102 and name HD2# or resid 2106 and name HD2# or resid 2106 and name HD1# ) 2.4 0.7 0.7 volume=696329.688 peak=291 ppm1=8.318 ppm2=0.802 assign ( resid 2097 and name HG ) ( resid 2098 and name H ) 2.8 1.0 1.0 volume=3098126.000 peak=1151 ppm1=1.735 ppm2=8.966 assign ( resid 2054 and name HA ) ( resid 2055 and name H ) 2.3 0.7 0.7 volume=9396147.000 peak=1842 ppm1=4.663 ppm2=9.035 assign ( resid 2081 and name HG2 or resid 2081 and name HG3 ) ( resid 2082 and name H ) 3.0 1.2 1.2 volume=1861598.000 peak=902 ppm1=2.315 ppm2=8.105 assign ( resid 2105 and name HB ) ( resid 2070 and name HB# ) 2.6 0.8 0.8 volume=4978800.000 peak=664 ppm1=4.335 ppm2=1.543 assign ( resid 2049 and name HA ) ( resid 2050 and name H or resid 2051 and name H ) 2.6 0.9 0.9 volume=4725514.000 peak=549 ppm1=4.328 ppm2=8.712 assign ( resid 2119 and name H ) ( resid 2106 and name HD2# or resid 2119 and name HG12 ) 2.8 1.0 1.0 volume=299458.469 peak=353 ppm1=8.224 ppm2=0.808 assign ( resid 2097 and name HD2# ) ( resid 2097 and name HA ) 2.4 0.7 0.7 volume=8691812.000 peak=500 ppm1=1.005 ppm2=4.411 assign ( resid 2109 and name H ) ( resid 2105 and name HG2# or resid 2107 and name HG2# or resid 2110 and name HG2# ) 2.9 1.1 1.1 volume=211522.016 peak=307 ppm1=8.287 ppm2=1.277 assign ( resid 2070 and name H ) ( resid 2070 and name HB# ) 2.1 0.6 0.6 volume=1410018.875 peak=111 ppm1=8.550 ppm2=1.471 assign ( resid 2101 and name HG2 ) ( resid 2098 and name HG2# ) 2.9 1.1 1.1 volume=2455773.250 peak=1212 ppm1=2.401 ppm2=1.382 assign ( resid 2059 and name H ) ( resid 2058 and name HG3 or resid 2058 and name HB2 or resid 2061 and name HG2 ) 2.6 0.8 0.8 volume=451680.406 peak=429 ppm1=9.114 ppm2=2.468 assign ( resid 2111 and name HA2 ) ( resid 2111 and name H ) 2.6 0.8 0.8 volume=5359264.500 peak=1355 ppm1=4.110 ppm2=8.205 assign ( resid 2105 and name H ) ( resid 2106 and name H ) 2.7 0.9 0.9 volume=363681.312 peak=278 ppm1=8.581 ppm2=8.324 assign ( resid 2071 and name H ) ( resid 2068 and name HA or resid 2069 and name HA ) 3.0 1.1 1.1 volume=195969.516 peak=116 ppm1=8.206 ppm2=4.040 assign ( resid 2087 and name HA ) ( resid 2088 and name H ) 2.0 0.5 0.5 volume=23707254.000 peak=960 ppm1=4.007 ppm2=8.773 assign ( resid 2085 and name HB2 ) ( resid 2126 and name H ) 3.0 1.1 1.1 volume=2105318.500 peak=976 ppm1=2.411 ppm2=9.064 assign ( resid 2133 and name HA ) ( resid 2133 and name HD2 ) 2.6 0.9 0.9 volume=4556349.500 peak=1421 ppm1=3.858 ppm2=6.644 assign ( resid 2113 and name H ) ( resid 2112 and name HA ) 2.2 0.6 0.6 volume=1210423.000 peak=336 ppm1=8.557 ppm2=4.286 assign ( resid 2078 and name HD2 ) ( resid 2068 and name HB# or resid 2069 and name HB# or resid 2075 and name HB3 or resid 2092 and name HB3 ) 3.1 1.2 1.2 volume=1660559.375 peak=869 ppm1=6.958 ppm2=1.566 assign ( resid 2102 and name HD2# ) ( resid 2102 and name HD1# ) 1.9 0.4 0.4 volume=36398628.000 peak=1251 ppm1=0.807 ppm2=0.499 assign ( resid 2067 and name HA ) ( resid 2071 and name H ) 3.2 1.3 1.3 volume=1303388.500 peak=710 ppm1=3.524 ppm2=8.201 assign ( resid 2099 and name HA ) ( resid 2102 and name H ) 3.1 1.2 1.2 volume=1785416.000 peak=790 ppm1=3.749 ppm2=8.688 assign ( resid 2122 and name H ) ( resid 2122 and name HD2 ) 3.0 1.1 1.1 volume=198739.828 peak=363 ppm1=7.323 ppm2=6.811 assign ( resid 2134 and name H ) ( resid 2134 and name HA ) 2.6 0.8 0.8 volume=448577.562 peak=405 ppm1=8.259 ppm2=3.707 assign ( resid 2058 and name HB2 ) ( resid 2054 and name HA ) 3.7 1.7 1.7 volume=605013.250 peak=642 ppm1=2.432 ppm2=4.646 assign ( resid 2131 and name H ) ( resid 2130 and name HB3 or resid 2130 and name HB2 ) 2.4 0.7 0.7 volume=751748.875 peak=387 ppm1=7.927 ppm2=2.118 assign ( resid 2119 and name H ) ( resid 2120 and name H ) 2.8 1.0 1.0 volume=304285.219 peak=351 ppm1=8.227 ppm2=7.477 assign ( resid 2066 and name HD2# ) ( resid 2106 and name H or resid 2109 and name H or resid 2111 and name H ) 3.0 1.1 1.1 volume=2110194.750 peak=696 ppm1=0.796 ppm2=8.271 assign ( resid 2100 and name HD2# ) ( resid 2104 and name HD22 ) 2.6 0.8 0.8 volume=5140018.500 peak=712 ppm1=1.063 ppm2=7.816 assign ( resid 2106 and name HA ) ( resid 2109 and name HB3 ) 2.7 0.9 0.9 volume=3760919.500 peak=1949 ppm1=4.175 ppm2=2.692 assign ( resid 2083 and name HB ) ( resid 2083 and name HA ) 2.5 0.8 0.8 volume=6182765.500 peak=922 ppm1=2.201 ppm2=4.035 assign ( resid 2131 and name HD2 ) ( resid 2131 and name HB3 ) 3.3 1.3 1.3 volume=1198620.250 peak=1612 ppm1=6.047 ppm2=2.528 assign ( resid 2087 and name HG2# ) ( resid 2092 and name HD1# ) 2.1 0.5 0.5 volume=19309318.000 peak=998 ppm1=1.359 ppm2=0.919 assign ( resid 2110 and name HA ) ( resid 2049 and name HE# ) 2.5 0.8 0.8 volume=5457919.500 peak=1350 ppm1=4.524 ppm2=2.034 assign ( resid 2127 and name HA ) ( resid 2127 and name HB# ) 2.0 0.5 0.5 volume=26508586.000 peak=1533 ppm1=4.144 ppm2=1.708 assign ( resid 2118 and name H ) ( resid 2118 and name HB3 ) 2.4 0.7 0.7 volume=805829.750 peak=348 ppm1=7.407 ppm2=2.061 assign ( resid 2120 and name HB3 ) ( resid 2120 and name HD# ) 2.5 0.8 0.8 volume=6324402.000 peak=1438 ppm1=3.189 ppm2=7.190 assign ( resid 2122 and name HB3 ) ( resid 2122 and name HA ) 3.5 1.5 1.5 volume=815368.625 peak=1932 ppm1=2.359 ppm2=4.993 assign ( resid 2064 and name HA ) ( resid 2064 and name HB# ) 1.9 0.5 0.5 volume=30582220.000 peak=777 ppm1=4.199 ppm2=1.560 assign ( resid 2058 and name H ) ( resid 2058 and name HG3 or resid 2058 and name HB2 ) 2.2 0.6 0.6 volume=1182963.375 peak=42 ppm1=7.936 ppm2=2.466 assign ( resid 2094 and name HG13 ) ( resid 2094 and name HD1# ) 2.1 0.6 0.6 volume=16562745.000 peak=1118 ppm1=1.548 ppm2=0.764 assign ( resid 2089 and name HE# ) ( resid 2067 and name HB or resid 2128 and name HB3 ) 3.0 1.1 1.1 volume=2246994.500 peak=1040 ppm1=7.645 ppm2=2.251 assign ( resid 2067 and name HG2# ) ( resid 2089 and name HZ ) 2.4 0.7 0.7 volume=7350527.500 peak=501 ppm1=1.129 ppm2=6.915 assign ( resid 2060 and name HA ) ( resid 2064 and name H ) 3.2 1.3 1.3 volume=1344424.875 peak=1792 ppm1=3.526 ppm2=8.895 assign ( resid 2096 and name H ) ( resid 2095 and name HA ) 2.4 0.7 0.7 volume=695053.625 peak=215 ppm1=9.105 ppm2=4.918 assign ( resid 2135 and name HA ) ( resid 2138 and name HG3 or resid 2138 and name HG2 ) 2.7 0.9 0.9 volume=3550257.750 peak=1707 ppm1=3.963 ppm2=2.416 assign ( resid 2129 and name H ) ( resid 2129 and name HB ) 2.7 0.9 0.9 volume=391205.406 peak=381 ppm1=8.933 ppm2=3.543 assign ( resid 2083 and name HG2# ) ( resid 2068 and name HB# or resid 2083 and name HG12 ) 1.9 0.5 0.5 volume=31118052.000 peak=946 ppm1=0.785 ppm2=1.686 assign ( resid 2103 and name HD2 ) ( resid 2103 and name HG3 ) 2.7 0.9 0.9 volume=3892246.000 peak=1886 ppm1=3.046 ppm2=1.387 assign ( resid 2071 and name HG2# or resid 2073 and name HG2# or resid 2105 and name HG2# or resid 2107 and name HG2# or resid 2110 and name HG2# ) ( resid 2048 and name HB3 or resid 2048 and name HB2 or resid 2078 and name HB2 or resid 2103 and name HD2 or resid 2104 and name HB2 or resid 2135 and name HD2 ) 3.0 1.1 1.1 volume=1993751.000 peak=675 ppm1=1.329 ppm2=3.070 assign ( resid 2130 and name HA ) ( resid 2130 and name HB3 ) 2.2 0.6 0.6 volume=12774712.000 peak=1592 ppm1=3.988 ppm2=2.047 assign ( resid 2071 and name HB ) ( resid 2071 and name HG2# ) 2.2 0.6 0.6 volume=11957195.000 peak=516 ppm1=3.694 ppm2=1.258 assign ( resid 2117 and name H ) ( resid 2115 and name HB3 ) 2.4 0.7 0.7 volume=647873.000 peak=345 ppm1=6.739 ppm2=2.029 assign ( resid 2109 and name HB2 ) ( resid 2110 and name H ) 3.3 1.3 1.3 volume=1265181.875 peak=1336 ppm1=2.840 ppm2=8.008 assign ( resid 2056 and name HA ) ( resid 2056 and name HB2 ) 2.6 0.8 0.8 volume=4918254.000 peak=588 ppm1=4.367 ppm2=2.002 assign ( resid 2109 and name HA ) ( resid 2109 and name H ) 2.5 0.8 0.8 volume=6220336.500 peak=1335 ppm1=4.600 ppm2=8.253 assign ( resid 2101 and name HG3 ) ( resid 2101 and name H ) 2.4 0.7 0.7 volume=7395817.500 peak=1202 ppm1=2.263 ppm2=7.554 assign ( resid 2131 and name HA ) ( resid 2131 and name HB3 ) 2.4 0.7 0.7 volume=8170711.000 peak=1610 ppm1=4.249 ppm2=2.534 assign ( resid 2132 and name HD1# ) ( resid 2131 and name HD2 ) 2.4 0.7 0.7 volume=7053881.000 peak=1635 ppm1=0.801 ppm2=6.046 assign ( resid 2067 and name H ) ( resid 2066 and name HD2# or resid 2066 and name HD1# or resid 2106 and name HD1# ) 2.7 0.9 0.9 volume=385485.125 peak=92 ppm1=8.812 ppm2=0.805 assign ( resid 2133 and name HD2 ) ( resid 2059 and name HB2 ) 2.7 0.9 0.9 volume=4151158.750 peak=1654 ppm1=6.641 ppm2=1.819 assign ( resid 2112 and name HA ) ( resid 2112 and name HB2 ) 2.6 0.8 0.8 volume=5130953.500 peak=1366 ppm1=4.285 ppm2=1.068 assign ( resid 2074 and name HA ) ( resid 2074 and name HG2# or resid 2074 and name HG1# ) 1.9 0.5 0.5 volume=27446324.000 peak=813 ppm1=4.008 ppm2=1.014 assign ( resid 2127 and name HA ) ( resid 2127 and name H ) 2.4 0.7 0.7 volume=7041509.000 peak=1530 ppm1=4.143 ppm2=8.427 assign ( resid 2089 and name HZ ) ( resid 2067 and name HB or resid 2128 and name HB3 ) 2.9 1.0 1.0 volume=2667738.000 peak=1033 ppm1=6.912 ppm2=2.257 assign ( resid 2061 and name HG2 ) ( resid 2061 and name H ) 2.4 0.7 0.7 volume=7023350.500 peak=607 ppm1=2.445 ppm2=8.099 assign ( resid 2095 and name HB3 ) ( resid 2095 and name H ) 3.1 1.2 1.2 volume=1761800.000 peak=1140 ppm1=2.668 ppm2=8.004 assign ( resid 2106 and name HB2 ) ( resid 2106 and name HA ) 2.6 0.9 0.9 volume=4368725.500 peak=1306 ppm1=1.097 ppm2=4.169 assign ( resid 2100 and name HD2# ) ( resid 2101 and name H ) 2.9 1.0 1.0 volume=2651707.500 peak=1195 ppm1=1.000 ppm2=7.551 assign ( resid 2050 and name HG2 ) ( resid 2050 and name HA ) 2.4 0.7 0.7 volume=7614537.000 peak=569 ppm1=1.620 ppm2=4.492 assign ( resid 2077 and name HA ) ( resid 2077 and name HB2 ) 2.5 0.8 0.8 volume=6164907.000 peak=853 ppm1=4.392 ppm2=2.332 assign ( resid 2098 and name HG2# ) ( resid 2098 and name HA ) 2.0 0.5 0.5 volume=27028000.000 peak=1163 ppm1=1.395 ppm2=4.070 assign ( resid 2076 and name H ) ( resid 2076 and name HA2 ) 2.5 0.8 0.8 volume=566032.250 peak=140 ppm1=7.763 ppm2=4.133 assign ( resid 2135 and name HD2 ) ( resid 2135 and name H ) 3.1 1.2 1.2 volume=1560181.000 peak=1712 ppm1=3.064 ppm2=7.906 assign ( resid 2137 and name HG2# ) ( resid 2059 and name HE21 ) 2.8 1.0 1.0 volume=3194061.000 peak=1727 ppm1=1.000 ppm2=7.102 assign ( resid 2127 and name H ) ( resid 2126 and name H ) 2.8 0.9 0.9 volume=310985.031 peak=373 ppm1=8.420 ppm2=9.076 assign ( resid 2065 and name H ) ( resid 2065 and name HB ) 2.3 0.6 0.6 volume=994602.000 peak=78 ppm1=8.302 ppm2=4.330 assign ( resid 2090 and name H ) ( resid 2089 and name HB2 or resid 2089 and name HB3 ) 2.5 0.8 0.8 volume=503845.000 peak=180 ppm1=9.226 ppm2=2.792 assign ( resid 2055 and name H ) ( resid 2058 and name HG3 or resid 2058 and name HG2 or resid 2058 and name HB2 ) 2.4 0.7 0.7 volume=763272.000 peak=29 ppm1=9.049 ppm2=2.461 assign ( resid 2119 and name HD1# ) ( resid 2119 and name HA ) 2.1 0.5 0.5 volume=17533486.000 peak=1425 ppm1=0.220 ppm2=3.849 assign ( resid 2054 and name H ) ( resid 2054 and name HA ) 2.7 0.9 0.9 volume=369340.188 peak=22 ppm1=7.407 ppm2=4.680 assign ( resid 2127 and name HB# ) ( resid 2124 and name HB ) 2.9 1.0 1.0 volume=2618410.250 peak=1544 ppm1=1.712 ppm2=4.435 assign ( resid 2102 and name HD1# ) ( resid 2102 and name HG ) 2.0 0.5 0.5 volume=22316438.000 peak=1265 ppm1=0.503 ppm2=1.299 assign ( resid 2089 and name HB2 ) ( resid 2094 and name HB ) 2.6 0.9 0.9 volume=4578094.000 peak=1017 ppm1=2.797 ppm2=1.719 assign ( resid 2059 and name HB2 ) ( resid 2059 and name HB3 ) 2.5 0.8 0.8 volume=6854040.000 peak=1776 ppm1=1.829 ppm2=2.587 assign ( resid 2095 and name HB3 ) ( resid 2095 and name HB2 ) 2.2 0.6 0.6 volume=12897570.000 peak=1145 ppm1=2.669 ppm2=3.265 assign ( resid 2068 and name HB# ) ( resid 2065 and name HA or resid 2068 and name HA ) 1.8 0.4 0.4 volume=43195004.000 peak=738 ppm1=1.657 ppm2=4.035 assign ( resid 2060 and name HG3 ) ( resid 2060 and name HA ) 2.4 0.7 0.7 volume=7465773.000 peak=1800 ppm1=1.941 ppm2=3.529 assign ( resid 2115 and name HG3 ) ( resid 2115 and name HD3 ) 2.6 0.9 0.9 volume=4652586.500 peak=1901 ppm1=2.204 ppm2=3.712 assign ( resid 2068 and name HB# or resid 2069 and name HB# ) ( resid 2080 and name HG3 or resid 2080 and name HB3 or resid 2083 and name HB ) 2.2 0.6 0.6 volume=14669936.000 peak=767 ppm1=1.556 ppm2=2.130 assign ( resid 2090 and name HA or resid 2120 and name HA ) ( resid 2093 and name H or resid 2120 and name H ) 2.4 0.7 0.7 volume=8667781.000 peak=1057 ppm1=4.294 ppm2=7.509 assign ( resid 2070 and name H ) ( resid 2066 and name HD1# or resid 2102 and name HD2# or resid 2106 and name HD1# ) 2.8 1.0 1.0 volume=302364.406 peak=112 ppm1=8.551 ppm2=0.795 assign ( resid 2090 and name HB2 ) ( resid 2090 and name HA ) 2.4 0.7 0.7 volume=8784962.000 peak=1059 ppm1=1.748 ppm2=4.299 assign ( resid 2059 and name HG3 ) ( resid 2054 and name HD2# or resid 2054 and name HD1# ) 2.6 0.8 0.8 volume=5047065.000 peak=1780 ppm1=2.837 ppm2=0.856 assign ( resid 2104 and name HD22 ) ( resid 2101 and name HA ) 2.7 0.9 0.9 volume=358593.000 peak=275 ppm1=7.834 ppm2=4.145 assign ( resid 2099 and name HB# ) ( resid 2094 and name HG2# or resid 2119 and name HG12 ) 1.9 0.5 0.5 volume=30130182.000 peak=512 ppm1=1.282 ppm2=0.760 assign ( resid 2129 and name HB ) ( resid 2129 and name H ) 2.6 0.9 0.9 volume=4391543.500 peak=1580 ppm1=3.540 ppm2=8.918 assign ( resid 2090 and name H ) ( resid 2090 and name HA ) 2.4 0.7 0.7 volume=714974.438 peak=185 ppm1=9.225 ppm2=4.303 assign ( resid 2064 and name H ) ( resid 2063 and name HB2 ) 2.6 0.9 0.9 volume=398107.469 peak=72 ppm1=8.892 ppm2=1.987 assign ( resid 2051 and name HB3 or resid 2075 and name HB3 or resid 2092 and name HB3 or resid 2136 and name HB2 ) ( resid 2051 and name HD2# or resid 2051 and name HD1# or resid 2075 and name HD1# or resid 2092 and name HD1# or resid 2136 and name HD1# ) 1.8 0.4 0.4 volume=49497932.000 peak=573 ppm1=1.596 ppm2=0.879 assign ( resid 2071 and name HG2# ) ( resid 2089 and name HD# ) 2.5 0.8 0.8 volume=6443565.000 peak=525 ppm1=1.260 ppm2=7.152 assign ( resid 2064 and name H ) ( resid 2062 and name HG2# or resid 2063 and name HB3 ) 2.9 1.0 1.0 volume=237934.781 peak=433 ppm1=8.898 ppm2=1.295 assign ( resid 2132 and name H ) ( resid 2132 and name HD2# ) 2.5 0.8 0.8 volume=603824.312 peak=392 ppm1=8.605 ppm2=0.808 assign ( resid 2096 and name HA ) ( resid 2096 and name H ) 2.6 0.9 0.9 volume=4730663.500 peak=1746 ppm1=4.187 ppm2=9.116 assign ( resid 2089 and name HE# ) ( resid 2125 and name HG2 ) 2.9 1.0 1.0 volume=2564381.250 peak=1041 ppm1=7.643 ppm2=1.987 assign ( resid 2073 and name HA ) ( resid 2073 and name H ) 2.4 0.7 0.7 volume=7660269.000 peak=803 ppm1=3.925 ppm2=8.177 assign ( resid 2062 and name HG2# or resid 2110 and name HG2# ) ( resid 2063 and name H or resid 2110 and name H ) 2.3 0.6 0.6 volume=10652608.000 peak=527 ppm1=1.216 ppm2=7.916 assign ( resid 2066 and name HB3 ) ( resid 2066 and name H ) 2.4 0.7 0.7 volume=7567032.000 peak=679 ppm1=1.975 ppm2=7.768 assign ( resid 2085 and name HG2 ) ( resid 2086 and name H ) 2.8 1.0 1.0 volume=3216302.250 peak=973 ppm1=2.062 ppm2=7.611 assign ( resid 2064 and name HB# or resid 2088 and name HB# ) ( resid 2067 and name HG1# or resid 2124 and name HG2# or resid 2129 and name HG2# ) 1.9 0.5 0.5 volume=30154254.000 peak=763 ppm1=1.564 ppm2=1.085 assign ( resid 2056 and name HA ) ( resid 2056 and name HG2 ) 2.5 0.8 0.8 volume=5529487.000 peak=587 ppm1=4.365 ppm2=2.133 assign ( resid 2078 and name HA ) ( resid 2078 and name HB2 ) 2.5 0.8 0.8 volume=6109495.000 peak=864 ppm1=4.538 ppm2=3.091 assign ( resid 2075 and name H ) ( resid 2075 and name HG ) 2.5 0.8 0.8 volume=500752.438 peak=136 ppm1=7.672 ppm2=1.754 assign ( resid 2106 and name H ) ( resid 2107 and name H ) 2.8 1.0 1.0 volume=292538.188 peak=284 ppm1=8.313 ppm2=9.154 assign ( resid 2049 and name HB3 ) ( resid 2049 and name H ) 3.3 1.3 1.3 volume=1228260.250 peak=1869 ppm1=2.062 ppm2=8.291 assign ( resid 2070 and name HB# ) ( resid 2070 and name H ) 1.9 0.5 0.5 volume=27339646.000 peak=770 ppm1=1.445 ppm2=8.562 assign ( resid 2102 and name H ) ( resid 2102 and name HB2 ) 2.5 0.8 0.8 volume=608670.500 peak=255 ppm1=8.694 ppm2=1.850 assign ( resid 2094 and name HB ) ( resid 2094 and name HG12 or resid 2094 and name HG13 ) 2.4 0.7 0.7 volume=8390638.000 peak=1108 ppm1=1.721 ppm2=1.444 assign ( resid 2120 and name HA ) ( resid 2120 and name HB3 ) 2.5 0.8 0.8 volume=6441541.000 peak=1060 ppm1=4.283 ppm2=3.191 assign ( resid 2118 and name HD1# ) ( resid 2118 and name HA ) 2.7 0.9 0.9 volume=4281762.000 peak=1410 ppm1=0.929 ppm2=4.089 assign ( resid 2097 and name HD2# ) ( resid 2097 and name H ) 2.7 0.9 0.9 volume=3571786.250 peak=1152 ppm1=1.004 ppm2=8.230 assign ( resid 2091 and name HA ) ( resid 2091 and name H ) 2.4 0.7 0.7 volume=8313443.500 peak=1078 ppm1=4.631 ppm2=7.183 assign ( resid 2067 and name HB ) ( resid 2067 and name H ) 2.3 0.6 0.6 volume=11459241.000 peak=707 ppm1=2.256 ppm2=8.815 assign ( resid 2102 and name HD1# ) ( resid 2071 and name H ) 3.2 1.3 1.3 volume=1335327.000 peak=1268 ppm1=0.500 ppm2=8.198 assign ( resid 2112 and name HD1# ) ( resid 2112 and name HB3 or resid 2135 and name HB2 ) 2.1 0.6 0.6 volume=15312174.000 peak=1375 ppm1=0.671 ppm2=1.608 assign ( resid 2108 and name H ) ( resid 2109 and name H ) 2.8 0.9 0.9 volume=315060.094 peak=64 ppm1=7.951 ppm2=8.281 assign ( resid 2102 and name HD1# ) ( resid 2070 and name HA or resid 2089 and name HA or resid 2098 and name HB or resid 2098 and name HA or resid 2100 and name HA or resid 2125 and name HA ) 3.0 1.1 1.1 volume=1981542.875 peak=1934 ppm1=0.502 ppm2=4.154 assign ( resid 2106 and name HD1# ) ( resid 2119 and name HD1# ) 3.3 1.4 1.4 volume=1178138.750 peak=1318 ppm1=0.780 ppm2=0.213 assign ( resid 2104 and name HD21 ) ( resid 2100 and name HB2 or resid 2100 and name HG ) 3.0 1.1 1.1 volume=192971.531 peak=277 ppm1=6.956 ppm2=1.795 assign ( resid 2094 and name HD1# ) ( resid 2075 and name HG or resid 2094 and name HB ) 2.1 0.5 0.5 volume=17854822.000 peak=1135 ppm1=0.739 ppm2=1.727 assign ( resid 2085 and name HA ) ( resid 2085 and name HB2 ) 2.3 0.6 0.6 volume=10641964.000 peak=961 ppm1=4.208 ppm2=2.411 assign ( resid 2113 and name H ) ( resid 2113 and name HA ) 2.7 0.9 0.9 volume=320429.531 peak=335 ppm1=8.556 ppm2=4.623 assign ( resid 2102 and name HA ) ( resid 2070 and name HB# or resid 2102 and name HB3 ) 2.4 0.7 0.7 volume=8142171.500 peak=1253 ppm1=3.972 ppm2=1.510 assign ( resid 2115 and name HD3 ) ( resid 2114 and name HD2# ) 2.4 0.7 0.7 volume=6972363.000 peak=1910 ppm1=3.707 ppm2=0.904 assign ( resid 2125 and name HG2 ) ( resid 2125 and name HG3 ) 2.3 0.7 0.7 volume=9973109.000 peak=1929 ppm1=1.904 ppm2=1.332 assign ( resid 2048 and name HD2 ) ( resid 2051 and name HD2# or resid 2051 and name HD1# or resid 2136 and name HD2# ) 3.0 1.1 1.1 volume=1924331.250 peak=1876 ppm1=6.947 ppm2=0.938 assign ( resid 2070 and name HA ) ( resid 2070 and name HB# ) 2.0 0.5 0.5 volume=26594804.000 peak=775 ppm1=4.173 ppm2=1.444 assign ( resid 2102 and name H ) ( resid 2101 and name H ) 2.8 0.9 0.9 volume=312126.812 peak=260 ppm1=8.691 ppm2=7.539 assign ( resid 2094 and name HA ) ( resid 2095 and name H ) 2.2 0.6 0.6 volume=12775292.000 peak=1113 ppm1=4.002 ppm2=8.002 assign ( resid 2077 and name HB2 ) ( resid 2077 and name HA ) 2.6 0.8 0.8 volume=5006607.500 peak=854 ppm1=2.351 ppm2=4.393 assign ( resid 2129 and name H ) ( resid 2128 and name HB3 ) 2.7 0.9 0.9 volume=319226.656 peak=382 ppm1=8.933 ppm2=2.227 assign ( resid 2091 and name HB2 ) ( resid 2091 and name H ) 2.4 0.7 0.7 volume=8343473.500 peak=1074 ppm1=2.824 ppm2=7.182 assign ( resid 2058 and name HB2 ) ( resid 2058 and name HA ) 2.7 0.9 0.9 volume=4005412.500 peak=643 ppm1=2.439 ppm2=4.161 assign ( resid 2106 and name HD2# ) ( resid 2067 and name HA ) 2.9 1.0 1.0 volume=2707613.250 peak=1315 ppm1=0.811 ppm2=3.527 assign ( resid 2092 and name HA ) ( resid 2092 and name H ) 2.4 0.7 0.7 volume=7381132.500 peak=1082 ppm1=4.378 ppm2=7.807 assign ( resid 2068 and name HA ) ( resid 2068 and name HB# ) 2.0 0.5 0.5 volume=25067382.000 peak=741 ppm1=4.038 ppm2=1.654 assign ( resid 2083 and name HG13 ) ( resid 2080 and name HA ) 2.7 0.9 0.9 volume=4273151.000 peak=943 ppm1=1.447 ppm2=4.254 assign ( resid 2072 and name HB# ) ( resid 2078 and name HB3 ) 3.0 1.1 1.1 volume=2180449.000 peak=796 ppm1=1.396 ppm2=3.238 assign ( resid 2086 and name HB# ) ( resid 2086 and name H ) 1.9 0.4 0.4 volume=34627544.000 peak=988 ppm1=1.327 ppm2=7.604 assign ( resid 2098 and name HA or resid 2116 and name HA ) ( resid 2101 and name HG2 or resid 2116 and name HB2 ) 2.1 0.6 0.6 volume=15537671.000 peak=1174 ppm1=4.064 ppm2=2.339 assign ( resid 2100 and name HD1# ) ( resid 2100 and name H ) 2.6 0.8 0.8 volume=4933059.000 peak=713 ppm1=1.062 ppm2=7.284 assign ( resid 2126 and name HA ) ( resid 2126 and name HB3 or resid 2126 and name HB2 ) 2.3 0.6 0.6 volume=11096449.000 peak=1511 ppm1=4.274 ppm2=2.907 assign ( resid 2100 and name HD2# ) ( resid 2101 and name HG2 or resid 2101 and name HG3 ) 2.4 0.7 0.7 volume=7056173.500 peak=1199 ppm1=1.001 ppm2=2.334 assign ( resid 2131 and name HD2 ) ( resid 2118 and name HD2# ) 2.4 0.7 0.7 volume=8169389.500 peak=1613 ppm1=6.047 ppm2=1.079 assign ( resid 2067 and name HA ) ( resid 2066 and name HB2 or resid 2106 and name HG ) 3.2 1.3 1.3 volume=1374199.000 peak=723 ppm1=3.528 ppm2=1.817 assign ( resid 2090 and name HG3 or resid 2090 and name HG2 ) ( resid 2090 and name HD2 or resid 2090 and name HD3 or resid 2090 and name HB2 ) 2.3 0.6 0.6 volume=11265845.000 peak=1168 ppm1=1.398 ppm2=1.741 assign ( resid 2122 and name HD2 ) ( resid 2121 and name HB2 or resid 2122 and name HB3 ) 2.8 1.0 1.0 volume=3129347.750 peak=1471 ppm1=6.839 ppm2=2.356 assign ( resid 2089 and name HB2 ) ( resid 2089 and name HA ) 2.8 1.0 1.0 volume=2947509.500 peak=1008 ppm1=2.809 ppm2=4.170 assign ( resid 2112 and name HB3 ) ( resid 2112 and name H ) 2.7 0.9 0.9 volume=4175306.000 peak=1358 ppm1=1.589 ppm2=7.653 assign ( resid 2049 and name HG3 ) ( resid 2050 and name HG2 or resid 2051 and name HG or resid 2051 and name HB3 or resid 2135 and name HB3 or resid 2136 and name HB2 ) 2.8 1.0 1.0 volume=3089309.000 peak=540 ppm1=2.412 ppm2=1.609 assign ( resid 2059 and name HB2 ) ( resid 2059 and name HA ) 2.8 1.0 1.0 volume=3356615.500 peak=1766 ppm1=1.833 ppm2=3.828 assign ( resid 2138 and name HG3 or resid 2138 and name HG2 ) ( resid 2138 and name H ) 2.6 0.8 0.8 volume=5190116.000 peak=1732 ppm1=2.417 ppm2=7.732 assign ( resid 2135 and name HB3 ) ( resid 2132 and name HA ) 2.8 1.0 1.0 volume=2985614.500 peak=1684 ppm1=1.654 ppm2=3.556 assign ( resid 2090 and name HE3 or resid 2090 and name HE2 ) ( resid 2090 and name HG3 or resid 2090 and name HG2 ) 2.0 0.5 0.5 volume=23509240.000 peak=1071 ppm1=3.032 ppm2=1.504 assign ( resid 2135 and name HD3 ) ( resid 2135 and name HA ) 2.6 0.9 0.9 volume=4658457.500 peak=1710 ppm1=2.924 ppm2=3.960 assign ( resid 2090 and name HD2 or resid 2090 and name HD3 ) ( resid 2090 and name HE3 or resid 2090 and name HE2 ) 1.9 0.5 0.5 volume=29231614.000 peak=510 ppm1=1.751 ppm2=3.036 assign ( resid 2064 and name HB# or resid 2068 and name HB# ) ( resid 2060 and name HA or resid 2067 and name HA or resid 2129 and name HB ) 2.7 0.9 0.9 volume=3785602.750 peak=759 ppm1=1.562 ppm2=3.529 assign ( resid 2067 and name H ) ( resid 2067 and name HB ) 2.3 0.7 0.7 volume=909517.500 peak=95 ppm1=8.809 ppm2=2.257 assign ( resid 2102 and name HB3 ) ( resid 2102 and name HD1# ) 2.5 0.8 0.8 volume=5752394.000 peak=1247 ppm1=1.507 ppm2=0.502 assign ( resid 2064 and name H ) ( resid 2064 and name HA ) 2.4 0.7 0.7 volume=743925.875 peak=73 ppm1=8.894 ppm2=4.181 assign ( resid 2060 and name HA ) ( resid 2060 and name HG2 or resid 2060 and name HB2 ) 2.1 0.6 0.6 volume=16342149.000 peak=1790 ppm1=3.531 ppm2=2.108 assign ( resid 2056 and name HB3 ) ( resid 2057 and name H ) 3.4 1.5 1.5 volume=904456.000 peak=598 ppm1=2.513 ppm2=8.523 assign ( resid 2122 and name HB2 ) ( resid 2128 and name HA ) 2.7 0.9 0.9 volume=4088381.000 peak=1461 ppm1=3.146 ppm2=4.081 assign ( resid 2119 and name H ) ( resid 2119 and name HG13 ) 2.6 0.8 0.8 volume=436857.031 peak=354 ppm1=8.227 ppm2=1.271 assign ( resid 2062 and name HG2# ) ( resid 2063 and name HG or resid 2066 and name HB2 ) 2.4 0.7 0.7 volume=8026435.000 peak=1815 ppm1=1.201 ppm2=1.812 assign ( resid 2138 and name HB3 ) ( resid 2138 and name HA ) 2.3 0.6 0.6 volume=10694230.000 peak=1277 ppm1=2.063 ppm2=4.396 assign ( resid 2063 and name HA or resid 2100 and name HA ) ( resid 2063 and name HG or resid 2100 and name HB2 ) 2.0 0.5 0.5 volume=21160152.000 peak=1188 ppm1=4.146 ppm2=1.822 assign ( resid 2116 and name HA ) ( resid 2117 and name H ) 3.1 1.2 1.2 volume=1746520.500 peak=1881 ppm1=4.060 ppm2=6.753 assign ( resid 2132 and name HB3 ) ( resid 2132 and name H or resid 2133 and name H ) 2.7 0.9 0.9 volume=3652564.250 peak=1618 ppm1=1.208 ppm2=8.576 assign ( resid 2119 and name HG13 ) ( resid 2119 and name HG12 ) 2.1 0.5 0.5 volume=17719456.000 peak=442 ppm1=1.269 ppm2=0.802 assign ( resid 2080 and name HD3 ) ( resid 2079 and name HB ) 2.7 0.9 0.9 volume=4231739.000 peak=891 ppm1=3.938 ppm2=4.380 assign ( resid 2052 and name HD22 ) ( resid 2052 and name HD21 ) 2.2 0.6 0.6 volume=1080561.000 peak=21 ppm1=7.812 ppm2=7.073 assign ( resid 2096 and name H ) ( resid 2096 and name HA ) 2.3 0.7 0.7 volume=917230.875 peak=10 ppm1=9.107 ppm2=4.220 assign ( resid 2089 and name HB2 ) ( resid 2094 and name HG2# ) 2.6 0.8 0.8 volume=4950911.500 peak=1014 ppm1=2.799 ppm2=0.763 assign ( resid 2106 and name HB2 ) ( resid 2106 and name HB3 ) 2.3 0.7 0.7 volume=9803134.000 peak=1307 ppm1=1.097 ppm2=1.976 assign ( resid 2125 and name HA ) ( resid 2089 and name HE# ) 2.7 0.9 0.9 volume=4020958.000 peak=1501 ppm1=4.110 ppm2=7.644 assign ( resid 2075 and name HD2# ) ( resid 2075 and name H ) 2.4 0.7 0.7 volume=8404992.000 peak=829 ppm1=0.780 ppm2=7.657 assign ( resid 2102 and name HG ) ( resid 2071 and name HB ) 2.9 1.0 1.0 volume=2652008.500 peak=1241 ppm1=1.329 ppm2=3.737 assign ( resid 2067 and name H ) ( resid 2066 and name HB2 ) 2.8 1.0 1.0 volume=273610.750 peak=96 ppm1=8.811 ppm2=1.775 assign ( resid 2119 and name H ) ( resid 2118 and name HB2 ) 2.5 0.8 0.8 volume=607795.375 peak=355 ppm1=8.227 ppm2=1.717 assign ( resid 2115 and name HB3 ) ( resid 2118 and name H ) 3.2 1.3 1.3 volume=1454424.750 peak=1917 ppm1=2.020 ppm2=7.391 assign ( resid 2063 and name HD2# ) ( resid 2133 and name HD2 ) 2.5 0.8 0.8 volume=6705131.000 peak=1823 ppm1=0.873 ppm2=6.646 assign ( resid 2090 and name HA ) ( resid 2090 and name H ) 2.4 0.7 0.7 volume=8458725.000 peak=1055 ppm1=4.303 ppm2=9.220 assign ( resid 2095 and name HB3 ) ( resid 2095 and name HA ) 3.0 1.1 1.1 volume=2118736.250 peak=1138 ppm1=2.665 ppm2=4.875 assign ( resid 2131 and name HB2 ) ( resid 2132 and name H ) 2.8 1.0 1.0 volume=3271422.250 peak=1598 ppm1=2.845 ppm2=8.605 assign ( resid 2054 and name HG ) ( resid 2054 and name HA ) 3.0 1.1 1.1 volume=2257658.000 peak=689 ppm1=1.619 ppm2=4.660 assign ( resid 2110 and name HB ) ( resid 2110 and name H ) 3.0 1.1 1.1 volume=1950136.125 peak=1346 ppm1=4.160 ppm2=8.000 assign ( resid 2093 and name H ) ( resid 2092 and name HA or resid 2093 and name HA3 ) 2.4 0.7 0.7 volume=742942.562 peak=204 ppm1=7.488 ppm2=4.473 assign ( resid 2067 and name HG2# or resid 2074 and name HG2# or resid 2117 and name HG2# or resid 2137 and name HG2# ) ( resid 2098 and name HB or resid 2117 and name HA or resid 2125 and name HA or resid 2137 and name HB ) 2.0 0.5 0.5 volume=23357844.000 peak=1936 ppm1=1.088 ppm2=4.202 assign ( resid 2118 and name HB2 ) ( resid 2118 and name HA ) 2.9 1.0 1.0 volume=2567645.500 peak=1397 ppm1=1.723 ppm2=4.082 assign ( resid 2080 and name HD3 ) ( resid 2072 and name HB# ) 2.8 1.0 1.0 volume=3069298.750 peak=894 ppm1=3.941 ppm2=1.396 assign ( resid 2128 and name HB3 ) ( resid 2125 and name HA or resid 2128 and name HA ) 2.7 0.9 0.9 volume=4024454.500 peak=1547 ppm1=2.240 ppm2=4.092 assign ( resid 2082 and name HB2 ) ( resid 2082 and name H ) 2.8 1.0 1.0 volume=3113800.750 peak=909 ppm1=3.988 ppm2=8.097 assign ( resid 2132 and name HA ) ( resid 2132 and name HG or resid 2132 and name HB2 ) 2.5 0.8 0.8 volume=6866023.000 peak=1621 ppm1=3.557 ppm2=2.070 assign ( resid 2112 and name HB2 ) ( resid 2112 and name HD2# or resid 2112 and name HD1# ) 2.3 0.7 0.7 volume=10472049.000 peak=1368 ppm1=1.064 ppm2=0.725 assign ( resid 2057 and name HA ) ( resid 2058 and name H or resid 2060 and name H ) 2.5 0.8 0.8 volume=6682443.500 peak=613 ppm1=4.071 ppm2=7.976 assign ( resid 2075 and name HB3 ) ( resid 2072 and name HA or resid 2076 and name HA3 ) 2.9 1.1 1.1 volume=2442759.500 peak=834 ppm1=1.578 ppm2=3.703 assign ( resid 2134 and name HA ) ( resid 2134 and name HG2# ) 2.1 0.5 0.5 volume=18317008.000 peak=1677 ppm1=3.702 ppm2=1.215 assign ( resid 2115 and name HG3 ) ( resid 2114 and name HA or resid 2115 and name HA ) 3.3 1.4 1.4 volume=1167430.500 peak=1902 ppm1=2.209 ppm2=4.929 assign ( resid 2128 and name HB2 ) ( resid 2128 and name HB3 ) 2.4 0.7 0.7 volume=7850978.500 peak=1549 ppm1=1.983 ppm2=2.245 assign ( resid 2103 and name HD3 ) ( resid 2114 and name HD2# or resid 2118 and name HD1# or resid 2119 and name HG12 ) 2.7 0.9 0.9 volume=3880012.250 peak=555 ppm1=3.211 ppm2=0.886 assign ( resid 2062 and name HG2# ) ( resid 2063 and name HD1# ) 1.7 0.4 0.4 volume=52962996.000 peak=1814 ppm1=1.202 ppm2=0.847 assign ( resid 2089 and name HD# ) ( resid 2089 and name HE# ) 2.4 0.7 0.7 volume=6917585.500 peak=1024 ppm1=7.144 ppm2=7.644 assign ( resid 2128 and name HD2# ) ( resid 2128 and name HG ) 1.9 0.5 0.5 volume=28119950.000 peak=1564 ppm1=1.049 ppm2=1.627 assign ( resid 2071 and name HG2# ) ( resid 2071 and name HB ) 2.0 0.5 0.5 volume=26532634.000 peak=872 ppm1=1.224 ppm2=3.702 assign ( resid 2123 and name HB2 or resid 2123 and name HB3 ) ( resid 2123 and name HD3 ) 2.9 1.0 1.0 volume=2642997.500 peak=1478 ppm1=2.356 ppm2=3.397 assign ( resid 2075 and name HD2# ) ( resid 2075 and name H ) 2.3 0.7 0.7 volume=9045275.000 peak=828 ppm1=0.802 ppm2=7.672 assign ( resid 2059 and name HB2 ) ( resid 2063 and name HD1# ) 2.5 0.8 0.8 volume=6149272.000 peak=1777 ppm1=1.830 ppm2=0.860 assign ( resid 2071 and name HG2# ) ( resid 2089 and name HE# ) 2.2 0.6 0.6 volume=13323951.000 peak=526 ppm1=1.259 ppm2=7.648 assign ( resid 2134 and name HB ) ( resid 2134 and name HA ) 2.4 0.7 0.7 volume=7606717.500 peak=1671 ppm1=4.250 ppm2=3.699 assign ( resid 2073 and name HA ) ( resid 2074 and name H ) 2.6 0.8 0.8 volume=4937219.500 peak=806 ppm1=3.931 ppm2=7.905 assign ( resid 2078 and name HD2 ) ( resid 2078 and name HB3 ) 2.8 1.0 1.0 volume=2991354.500 peak=865 ppm1=6.957 ppm2=3.247 assign ( resid 2080 and name HG2 ) ( resid 2081 and name H ) 3.1 1.2 1.2 volume=1798951.375 peak=1931 ppm1=2.007 ppm2=9.069 assign ( resid 2125 and name HA ) ( resid 2083 and name HG2# or resid 2083 and name HD1# or resid 2102 and name HD2# or resid 2106 and name HD2# ) 2.8 0.9 0.9 volume=3440907.000 peak=1926 ppm1=4.123 ppm2=0.796 assign ( resid 2050 and name HG3 or resid 2050 and name HG2 ) ( resid 2050 and name HD3 or resid 2050 and name HD2 ) 2.0 0.5 0.5 volume=21309986.000 peak=559 ppm1=1.623 ppm2=3.211 assign ( resid 2118 and name HD1# ) ( resid 2106 and name HB3 or resid 2118 and name HB3 or resid 2128 and name HB2 ) 2.2 0.6 0.6 volume=12800754.000 peak=1416 ppm1=0.930 ppm2=2.049 assign ( resid 2118 and name HD1# ) ( resid 2103 and name HA ) 2.4 0.7 0.7 volume=7258886.000 peak=1411 ppm1=0.928 ppm2=3.715 assign ( resid 2101 and name HB2 or resid 2101 and name HB3 ) ( resid 2104 and name HD21 ) 3.4 1.4 1.4 volume=1010754.250 peak=639 ppm1=2.100 ppm2=6.948 assign ( resid 2127 and name HB# ) ( resid 2128 and name H ) 2.3 0.6 0.6 volume=11460926.000 peak=1538 ppm1=1.710 ppm2=8.874 assign ( resid 2091 and name HB3 or resid 2091 and name HB2 ) ( resid 2087 and name HG2# ) 2.3 0.6 0.6 volume=11077672.000 peak=1080 ppm1=2.829 ppm2=1.357 assign ( resid 2060 and name HA ) ( resid 2063 and name HD1# or resid 2063 and name HD2# ) 2.4 0.7 0.7 volume=7866345.000 peak=1789 ppm1=3.532 ppm2=0.866 assign ( resid 2115 and name HD3 ) ( resid 2118 and name HD2# ) 2.6 0.9 0.9 volume=4552425.500 peak=1913 ppm1=3.708 ppm2=1.096 assign ( resid 2121 and name HB3 ) ( resid 2122 and name HD2 ) 2.9 1.1 1.1 volume=2292428.250 peak=1450 ppm1=1.900 ppm2=6.830 assign ( resid 2048 and name HD2 ) ( resid 2048 and name HB3 or resid 2048 and name HB2 ) 2.4 0.7 0.7 volume=8292998.500 peak=1873 ppm1=6.949 ppm2=3.074 assign ( resid 2119 and name HD1# ) ( resid 2118 and name HB2 or resid 2119 and name HB or resid 2128 and name HG ) 2.2 0.6 0.6 volume=12863811.000 peak=460 ppm1=0.221 ppm2=1.699 assign ( resid 2051 and name H ) ( resid 2051 and name HD2# or resid 2051 and name HD1# ) 2.8 1.0 1.0 volume=266331.406 peak=17 ppm1=8.749 ppm2=0.851 assign ( resid 2140 and name HA ) ( resid 2140 and name H ) 2.5 0.8 0.8 volume=6227765.500 peak=1739 ppm1=4.471 ppm2=8.046 assign ( resid 2054 and name HB3 ) ( resid 2055 and name H ) 3.2 1.3 1.3 volume=1391249.500 peak=1840 ppm1=1.535 ppm2=9.085 assign ( resid 2094 and name HG2# ) ( resid 2119 and name HG2# ) 2.2 0.6 0.6 volume=14609914.000 peak=1133 ppm1=0.758 ppm2=0.431 assign ( resid 2126 and name HD2 ) ( resid 2126 and name HB2 ) 2.7 0.9 0.9 volume=3791040.500 peak=1522 ppm1=6.920 ppm2=2.901 assign ( resid 2068 and name HB# ) ( resid 2068 and name H or resid 2069 and name H ) 1.9 0.4 0.4 volume=34119036.000 peak=733 ppm1=1.657 ppm2=8.578 assign ( resid 2062 and name HA ) ( resid 2062 and name H ) 2.4 0.7 0.7 volume=7048084.500 peak=1811 ppm1=3.978 ppm2=8.368 assign ( resid 2115 and name HD2 ) ( resid 2114 and name HD2# ) 2.5 0.8 0.8 volume=5530672.000 peak=1911 ppm1=3.973 ppm2=0.904 assign ( resid 2047 and name HB2 or resid 2047 and name HB3 ) ( resid 2047 and name HA ) 2.4 0.7 0.7 volume=7435498.500 peak=1930 ppm1=3.816 ppm2=4.470 assign ( resid 2065 and name HB or resid 2105 and name HB ) ( resid 2065 and name HG2# or resid 2105 and name HG2# ) 1.7 0.4 0.4 volume=65849256.000 peak=658 ppm1=4.336 ppm2=1.304 assign ( resid 2094 and name HG12 ) ( resid 2089 and name HB2 ) 2.9 1.1 1.1 volume=2353459.500 peak=1115 ppm1=1.435 ppm2=2.801 assign ( resid 2100 and name HG ) ( resid 2101 and name H ) 2.8 0.9 0.9 volume=3403616.750 peak=1192 ppm1=1.807 ppm2=7.557 assign ( resid 2069 and name HB# ) ( resid 2069 and name HA ) 1.7 0.4 0.4 volume=57289420.000 peak=757 ppm1=1.556 ppm2=4.088 assign ( resid 2129 and name H ) ( resid 2067 and name HG2# or resid 2067 and name HG1# or resid 2129 and name HG2# ) 2.4 0.7 0.7 volume=661387.312 peak=384 ppm1=8.927 ppm2=1.092 assign ( resid 2054 and name HB2 ) ( resid 2054 and name HD2# or resid 2054 and name HD1# ) 2.3 0.7 0.7 volume=9951094.000 peak=1851 ppm1=1.866 ppm2=0.853 assign ( resid 2128 and name HD2# ) ( resid 2131 and name HD2 ) 2.5 0.8 0.8 volume=5447289.500 peak=1572 ppm1=1.045 ppm2=6.049 assign ( resid 2092 and name HD1# ) ( resid 2092 and name HA ) 1.9 0.5 0.5 volume=27816754.000 peak=1093 ppm1=0.924 ppm2=4.375 assign ( resid 2089 and name HZ ) ( resid 2089 and name HE# ) 2.3 0.6 0.6 volume=10828133.000 peak=1025 ppm1=6.915 ppm2=7.643 assign ( resid 2135 and name HG2 or resid 2135 and name HG3 ) ( resid 2131 and name HD2 ) 3.5 1.5 1.5 volume=854924.500 peak=1691 ppm1=1.169 ppm2=6.049 assign ( resid 2054 and name HB3 ) ( resid 2054 and name HA ) 3.0 1.1 1.1 volume=2020335.500 peak=1844 ppm1=1.553 ppm2=4.651 assign ( resid 2122 and name H ) ( resid 2121 and name H ) 2.5 0.8 0.8 volume=503184.375 peak=362 ppm1=7.317 ppm2=8.012 assign ( resid 2136 and name HD1# ) ( resid 2059 and name HE21 ) 3.1 1.2 1.2 volume=1800752.750 peak=1856 ppm1=0.869 ppm2=7.083 assign ( resid 2054 and name H ) ( resid 2054 and name HG or resid 2054 and name HB3 ) 2.4 0.7 0.7 volume=762317.312 peak=25 ppm1=7.405 ppm2=1.592 assign ( resid 2085 and name HB2 ) ( resid 2085 and name HA ) 2.2 0.6 0.6 volume=12217140.000 peak=978 ppm1=2.415 ppm2=4.215 assign ( resid 2120 and name HB2 ) ( resid 2120 and name HB3 ) 2.1 0.5 0.5 volume=19318246.000 peak=1442 ppm1=2.983 ppm2=3.187 assign ( resid 2118 and name HG ) ( resid 2118 and name HD2# ) 2.2 0.6 0.6 volume=13020896.000 peak=1403 ppm1=1.562 ppm2=1.070 assign ( resid 2119 and name HG12 ) ( resid 2119 and name HB ) 2.5 0.8 0.8 volume=6165812.000 peak=446 ppm1=0.806 ppm2=1.708 assign ( resid 2068 and name HA ) ( resid 2071 and name H ) 2.9 1.0 1.0 volume=2516502.500 peak=734 ppm1=4.038 ppm2=8.186 assign ( resid 2051 and name HA ) ( resid 2051 and name HG or resid 2051 and name HB3 ) 2.2 0.6 0.6 volume=13952518.000 peak=570 ppm1=4.509 ppm2=1.608 assign ( resid 2102 and name HG ) ( resid 2102 and name HD1# ) 2.4 0.7 0.7 volume=7069402.000 peak=1248 ppm1=1.325 ppm2=0.497 assign ( resid 2058 and name HB3 ) ( resid 2058 and name H ) 2.6 0.8 0.8 volume=4919791.000 peak=631 ppm1=2.085 ppm2=7.909 assign ( resid 2063 and name HB3 ) ( resid 2064 and name H ) 3.0 1.2 1.2 volume=1870143.125 peak=841 ppm1=1.319 ppm2=8.892 assign ( resid 2090 and name HE3 or resid 2090 and name HE2 ) ( resid 2090 and name HD2 or resid 2090 and name HD3 ) 1.8 0.4 0.4 volume=42578248.000 peak=1070 ppm1=3.032 ppm2=1.738 assign ( resid 2115 and name HB2 ) ( resid 2117 and name H ) 2.8 1.0 1.0 volume=2978711.500 peak=1905 ppm1=2.442 ppm2=6.754 assign ( resid 2058 and name HA or resid 2081 and name HA ) ( resid 2059 and name H or resid 2081 and name H ) 2.4 0.7 0.7 volume=7222350.500 peak=629 ppm1=4.134 ppm2=9.077 assign ( resid 2050 and name H ) ( resid 2050 and name HB3 ) 2.7 0.9 0.9 volume=330569.281 peak=15 ppm1=8.722 ppm2=1.816 assign ( resid 2128 and name HD1# ) ( resid 2128 and name HB3 ) 2.3 0.6 0.6 volume=10838420.000 peak=1565 ppm1=1.005 ppm2=2.246 assign ( resid 2083 and name HD1# ) ( resid 2083 and name HG13 ) 2.0 0.5 0.5 volume=26500774.000 peak=949 ppm1=0.742 ppm2=1.434 assign ( resid 2063 and name HD1# ) ( resid 2063 and name H ) 2.3 0.7 0.7 volume=9278331.000 peak=1819 ppm1=0.809 ppm2=7.932 assign ( resid 2099 and name H ) ( resid 2099 and name HB# ) 2.2 0.6 0.6 volume=1153405.125 peak=2 ppm1=9.127 ppm2=1.285 assign ( resid 2135 and name HD2 ) ( resid 2135 and name HG2 or resid 2135 and name HG3 ) 2.2 0.6 0.6 volume=14196737.000 peak=1703 ppm1=3.054 ppm2=1.178 assign ( resid 2066 and name HB3 ) ( resid 2067 and name H ) 2.5 0.8 0.8 volume=6157599.500 peak=683 ppm1=1.980 ppm2=8.830 assign ( resid 2108 and name HB3 or resid 2108 and name HB2 ) ( resid 2105 and name HG2# or resid 2107 and name HG2# ) 2.9 1.0 1.0 volume=2653556.750 peak=1329 ppm1=3.304 ppm2=1.309 assign ( resid 2128 and name HG ) ( resid 2128 and name HD2# or resid 2128 and name HD1# ) 1.9 0.4 0.4 volume=34294224.000 peak=1557 ppm1=1.642 ppm2=1.030 assign ( resid 2070 and name HB# ) ( resid 2102 and name HD2# or resid 2106 and name HD1# ) 1.8 0.4 0.4 volume=51176016.000 peak=779 ppm1=1.445 ppm2=0.795 assign ( resid 2063 and name HD1# or resid 2132 and name HD1# ) ( resid 2063 and name HB2 or resid 2132 and name HG ) 1.8 0.4 0.4 volume=45687200.000 peak=1637 ppm1=0.809 ppm2=2.031 assign ( resid 2089 and name HE# ) ( resid 2102 and name HD1# ) 2.9 1.0 1.0 volume=2532033.750 peak=1046 ppm1=7.643 ppm2=0.493 assign ( resid 2123 and name HB2 or resid 2123 and name HB3 ) ( resid 2123 and name HD2 ) 2.9 1.1 1.1 volume=2430790.500 peak=1477 ppm1=2.359 ppm2=3.649 assign ( resid 2070 and name HB# ) ( resid 2067 and name HA ) 2.3 0.7 0.7 volume=8915608.000 peak=774 ppm1=1.445 ppm2=3.524 assign ( resid 2119 and name HA ) ( resid 2119 and name HG13 ) 2.6 0.9 0.9 volume=4660805.500 peak=468 ppm1=3.852 ppm2=1.257 assign ( resid 2133 and name HE1 ) ( resid 2056 and name HG2 ) 3.0 1.1 1.1 volume=2218162.500 peak=1663 ppm1=7.736 ppm2=2.115 assign ( resid 2135 and name HD2 ) ( resid 2112 and name HD1# or resid 2132 and name HD1# ) 2.7 0.9 0.9 volume=3891005.500 peak=1700 ppm1=3.050 ppm2=0.764 assign ( resid 2112 and name HA ) ( resid 2112 and name HB3 ) 2.7 0.9 0.9 volume=3519504.500 peak=1365 ppm1=4.283 ppm2=1.584 assign ( resid 2059 and name HG2 ) ( resid 2059 and name HB2 ) 2.6 0.8 0.8 volume=5046063.500 peak=1773 ppm1=2.345 ppm2=1.845 assign ( resid 2095 and name HB3 ) ( resid 2096 and name HA ) 3.3 1.4 1.4 volume=1066108.000 peak=1143 ppm1=2.664 ppm2=4.240 assign ( resid 2075 and name HD2# ) ( resid 2075 and name HA ) 1.9 0.4 0.4 volume=32107568.000 peak=845 ppm1=0.800 ppm2=4.301 assign ( resid 2125 and name HD3 ) ( resid 2125 and name HD2 ) 2.5 0.8 0.8 volume=6306401.500 peak=1503 ppm1=2.537 ppm2=3.765 assign ( resid 2132 and name HB3 ) ( resid 2132 and name HA ) 2.5 0.8 0.8 volume=5903460.500 peak=1629 ppm1=1.208 ppm2=3.552 assign ( resid 2102 and name HD2# ) ( resid 2102 and name HB2 or resid 2106 and name HG ) 2.2 0.6 0.6 volume=13178135.000 peak=1260 ppm1=0.808 ppm2=1.832 assign ( resid 2060 and name HG3 ) ( resid 2060 and name H ) 2.5 0.8 0.8 volume=6396778.000 peak=1798 ppm1=1.941 ppm2=7.981 assign ( resid 2122 and name HB2 ) ( resid 2122 and name H ) 2.9 1.0 1.0 volume=2548872.000 peak=1455 ppm1=3.147 ppm2=7.315 assign ( resid 2074 and name H ) ( resid 2071 and name HA or resid 2073 and name HB ) 2.3 0.7 0.7 volume=872552.312 peak=131 ppm1=7.913 ppm2=4.358 assign ( resid 2132 and name HD2# ) ( resid 2131 and name HD2 ) 2.8 0.9 0.9 volume=3414828.250 peak=1824 ppm1=0.901 ppm2=6.046 assign ( resid 2128 and name HD1# ) ( resid 2089 and name HE# ) 2.4 0.7 0.7 volume=7693820.000 peak=1570 ppm1=1.006 ppm2=7.645 assign ( resid 2098 and name H ) ( resid 2098 and name HG2# ) 2.5 0.8 0.8 volume=619869.750 peak=223 ppm1=8.980 ppm2=1.392 assign ( resid 2118 and name HB2 ) ( resid 2119 and name HD1# ) 3.3 1.3 1.3 volume=1230935.625 peak=1414 ppm1=1.727 ppm2=0.221 assign ( resid 2066 and name HG ) ( resid 2067 and name H ) 2.9 1.0 1.0 volume=2736539.000 peak=688 ppm1=1.618 ppm2=8.810 assign ( resid 2124 and name H ) ( resid 2124 and name HG2# or resid 2128 and name HD2# or resid 2128 and name HD1# ) 2.7 0.9 0.9 volume=385903.156 peak=371 ppm1=7.438 ppm2=1.024 assign ( resid 2104 and name H ) ( resid 2104 and name HA ) 2.5 0.8 0.8 volume=594068.312 peak=265 ppm1=8.868 ppm2=4.397 assign ( resid 2131 and name HB3 ) ( resid 2128 and name HA ) 2.9 1.1 1.1 volume=2368215.250 peak=1604 ppm1=2.533 ppm2=4.081 assign ( resid 2132 and name HA ) ( resid 2135 and name HB2 or resid 2135 and name HB3 ) 2.5 0.8 0.8 volume=5544369.000 peak=1622 ppm1=3.554 ppm2=1.655 assign ( resid 2118 and name HB2 ) ( resid 2118 and name HB3 ) 2.4 0.7 0.7 volume=7073383.500 peak=1398 ppm1=1.722 ppm2=2.062 assign ( resid 2080 and name HD2 or resid 2115 and name HD3 or resid 2123 and name HD2 ) ( resid 2080 and name HG2 or resid 2115 and name HG2 or resid 2123 and name HG3 or resid 2123 and name HG2 ) 2.0 0.5 0.5 volume=22833724.000 peak=897 ppm1=3.717 ppm2=2.011 assign ( resid 2127 and name HB# ) ( resid 2127 and name HA ) 1.9 0.5 0.5 volume=31367804.000 peak=1543 ppm1=1.710 ppm2=4.139 assign ( resid 2119 and name HD1# ) ( resid 2089 and name HE# ) 2.8 1.0 1.0 volume=3126807.750 peak=1426 ppm1=0.220 ppm2=7.645 assign ( resid 2119 and name HD1# ) ( resid 2119 and name H ) 2.6 0.8 0.8 volume=5379183.000 peak=463 ppm1=0.222 ppm2=8.214 assign ( resid 2062 and name HB or resid 2134 and name HB ) ( resid 2063 and name H or resid 2135 and name H ) 2.2 0.6 0.6 volume=14790804.000 peak=1669 ppm1=4.253 ppm2=7.918 assign ( resid 2123 and name HD3 ) ( resid 2122 and name HA ) 2.9 1.0 1.0 volume=2531806.500 peak=1485 ppm1=3.401 ppm2=4.992 assign ( resid 2087 and name HB ) ( resid 2088 and name H ) 2.5 0.8 0.8 volume=5982785.500 peak=993 ppm1=3.972 ppm2=8.772 assign ( resid 2089 and name HZ ) ( resid 2071 and name HG2# or resid 2125 and name HG3 ) 3.1 1.2 1.2 volume=1816401.250 peak=1038 ppm1=6.912 ppm2=1.288 assign ( resid 2099 and name HA ) ( resid 2102 and name HD1# ) 2.8 1.0 1.0 volume=3182785.000 peak=800 ppm1=3.747 ppm2=0.472 assign ( resid 2102 and name HG ) ( resid 2102 and name H ) 2.9 1.1 1.1 volume=2284897.000 peak=1221 ppm1=1.324 ppm2=8.688 assign ( resid 2131 and name HB2 ) ( resid 2131 and name HB3 ) 2.4 0.7 0.7 volume=7728291.000 peak=1606 ppm1=2.845 ppm2=2.537 assign ( resid 2077 and name HE1 ) ( resid 2072 and name HA ) 3.1 1.2 1.2 volume=1569671.000 peak=861 ppm1=7.682 ppm2=3.696 assign ( resid 2112 and name H ) ( resid 2112 and name HB3 ) 2.4 0.7 0.7 volume=666912.375 peak=327 ppm1=7.660 ppm2=1.591 assign ( resid 2064 and name HB# or resid 2068 and name HB# or resid 2069 and name HB# or resid 2088 and name HB# ) ( resid 2060 and name HB3 or resid 2063 and name HB2 or resid 2080 and name HG2 or resid 2080 and name HB2 or resid 2090 and name HB3 ) 2.1 0.6 0.6 volume=15414718.000 peak=768 ppm1=1.554 ppm2=1.992 assign ( resid 2070 and name H ) ( resid 2071 and name H ) 2.5 0.8 0.8 volume=521634.688 peak=110 ppm1=8.550 ppm2=8.194 assign ( resid 2091 and name HB3 or resid 2091 and name HB2 ) ( resid 2092 and name H ) 2.9 1.0 1.0 volume=2720005.500 peak=1076 ppm1=2.821 ppm2=7.816 assign ( resid 2054 and name HG or resid 2066 and name HG ) ( resid 2054 and name HD2# or resid 2054 and name HD1# or resid 2066 and name HD2# or resid 2066 and name HD1# ) 1.6 0.3 0.3 volume=84410280.000 peak=704 ppm1=1.618 ppm2=0.851 assign ( resid 2063 and name H ) ( resid 2062 and name HG2# ) 2.7 0.9 0.9 volume=366658.594 peak=69 ppm1=7.924 ppm2=1.251 assign ( resid 2065 and name HB or resid 2105 and name HB ) ( resid 2066 and name HB2 or resid 2106 and name HG ) 2.6 0.9 0.9 volume=4404046.000 peak=663 ppm1=4.316 ppm2=1.817 assign ( resid 2061 and name HA ) ( resid 2061 and name H ) 2.3 0.6 0.6 volume=11275819.000 peak=1806 ppm1=4.112 ppm2=8.103 assign ( resid 2085 and name HB3 ) ( resid 2126 and name HB3 ) 2.6 0.8 0.8 volume=5346916.000 peak=981 ppm1=1.961 ppm2=2.914 assign ( resid 2073 and name HB ) ( resid 2073 and name H ) 2.2 0.6 0.6 volume=14940133.000 peak=804 ppm1=4.347 ppm2=8.198 assign ( resid 2121 and name HB2 ) ( resid 2122 and name HD2 ) 2.9 1.0 1.0 volume=2643943.750 peak=1449 ppm1=2.345 ppm2=6.830 assign ( resid 2049 and name HB2 ) ( resid 2049 and name H ) 3.3 1.3 1.3 volume=1195711.625 peak=1868 ppm1=1.992 ppm2=8.287 assign ( resid 2074 and name HG2# ) ( resid 2074 and name HB ) 1.9 0.4 0.4 volume=32545118.000 peak=823 ppm1=0.992 ppm2=2.210 assign ( resid 2116 and name HB2 ) ( resid 2116 and name HD3 or resid 2116 and name HD2 ) 2.6 0.9 0.9 volume=4384386.000 peak=1923 ppm1=2.342 ppm2=3.887 assign ( resid 2094 and name H ) ( resid 2094 and name HB ) 2.4 0.7 0.7 volume=777443.750 peak=210 ppm1=7.537 ppm2=1.724 assign ( resid 2094 and name HB ) ( resid 2094 and name HG2# ) 2.0 0.5 0.5 volume=22364692.000 peak=455 ppm1=1.719 ppm2=0.759 assign ( resid 2097 and name HB3 ) ( resid 2097 and name HB2 ) 1.7 0.4 0.4 volume=65584908.000 peak=492 ppm1=2.022 ppm2=1.760 assign ( resid 2071 and name HB ) ( resid 2094 and name HD1# or resid 2102 and name HD2# ) 2.2 0.6 0.6 volume=12194988.000 peak=518 ppm1=3.693 ppm2=0.787 assign ( resid 2055 and name HB3 ) ( resid 2055 and name HB2 ) 2.4 0.7 0.7 volume=8525856.000 peak=580 ppm1=4.434 ppm2=4.026 assign ( resid 2085 and name HA ) ( resid 2085 and name HB3 ) 2.1 0.5 0.5 volume=17836406.000 peak=881 ppm1=4.217 ppm2=2.024 assign ( resid 2083 and name HD1# ) ( resid 2083 and name HG12 ) 2.0 0.5 0.5 volume=25611046.000 peak=948 ppm1=0.744 ppm2=1.680 assign ( resid 2072 and name HA ) ( resid 2078 and name HB2 ) 3.0 1.1 1.1 volume=2065840.875 peak=530 ppm1=3.700 ppm2=3.102 assign ( resid 2110 and name HB ) ( resid 2110 and name HA ) 2.3 0.7 0.7 volume=9680258.000 peak=522 ppm1=4.150 ppm2=4.544 assign ( resid 2065 and name HA ) ( resid 2065 and name H ) 2.4 0.7 0.7 volume=8293523.500 peak=654 ppm1=4.005 ppm2=8.301 assign ( resid 2135 and name HG2 or resid 2135 and name HG3 ) ( resid 2135 and name HB2 or resid 2135 and name HB3 ) 2.1 0.6 0.6 volume=15933573.000 peak=1697 ppm1=1.177 ppm2=1.655 assign ( resid 2094 and name HG12 ) ( resid 2089 and name HD# ) 2.8 1.0 1.0 volume=2952042.250 peak=1112 ppm1=1.427 ppm2=7.145 assign ( resid 2099 and name H ) ( resid 2099 and name HA ) 2.6 0.9 0.9 volume=403949.562 peak=232 ppm1=9.123 ppm2=3.756 assign ( resid 2069 and name H ) ( resid 2068 and name HA or resid 2069 and name HA ) 2.4 0.7 0.7 volume=788000.312 peak=107 ppm1=8.638 ppm2=4.065 assign ( resid 2090 and name HG3 or resid 2090 and name HG2 ) ( resid 2090 and name HD2 or resid 2090 and name HD3 or resid 2090 and name HB2 ) 1.7 0.3 0.3 volume=71173432.000 peak=1066 ppm1=1.485 ppm2=1.744 assign ( resid 2065 and name H ) ( resid 2062 and name HA or resid 2065 and name HA ) 2.5 0.8 0.8 volume=594748.000 peak=79 ppm1=8.305 ppm2=3.995 assign ( resid 2100 and name H ) ( resid 2100 and name HB3 ) 2.4 0.7 0.7 volume=677507.938 peak=243 ppm1=7.284 ppm2=1.929 assign ( resid 2094 and name HB ) ( resid 2089 and name HD# ) 2.8 1.0 1.0 volume=3057952.250 peak=1104 ppm1=1.718 ppm2=7.153 assign ( resid 2073 and name HG2# or resid 2107 and name HG2# or resid 2110 and name HG2# ) ( resid 2074 and name H or resid 2110 and name H or resid 2114 and name H ) 2.4 0.7 0.7 volume=7809087.000 peak=667 ppm1=1.324 ppm2=7.946 assign ( resid 2109 and name H ) ( resid 2108 and name HB3 or resid 2108 and name HB2 ) 2.6 0.9 0.9 volume=416979.031 peak=304 ppm1=8.275 ppm2=3.320 assign ( resid 2131 and name HE1 ) ( resid 2135 and name HD2 ) 3.0 1.2 1.2 volume=1882766.750 peak=1527 ppm1=7.740 ppm2=3.060 assign ( resid 2131 and name HB3 ) ( resid 2131 and name HA ) 2.6 0.9 0.9 volume=4310624.500 peak=1603 ppm1=2.535 ppm2=4.252 assign ( resid 2103 and name HD2 ) ( resid 2103 and name H ) 3.5 1.5 1.5 volume=854994.562 peak=1271 ppm1=3.045 ppm2=7.844 assign ( resid 2050 and name HB2 ) ( resid 2050 and name HA ) 2.6 0.8 0.8 volume=4922080.500 peak=564 ppm1=1.933 ppm2=4.475 assign ( resid 2100 and name HD2# or resid 2128 and name HD2# ) ( resid 2104 and name HB3 or resid 2131 and name HB2 ) 2.7 0.9 0.9 volume=3686024.000 peak=721 ppm1=1.058 ppm2=2.892 assign ( resid 2054 and name HG or resid 2083 and name HG12 ) ( resid 2055 and name H or resid 2081 and name H ) 3.2 1.3 1.3 volume=1291450.875 peak=1841 ppm1=1.610 ppm2=9.050 assign ( resid 2066 and name HD2# ) ( resid 2109 and name HB2 ) 2.5 0.8 0.8 volume=6583225.500 peak=700 ppm1=0.795 ppm2=2.845 assign ( resid 2099 and name HA ) ( resid 2099 and name H ) 2.5 0.8 0.8 volume=6102535.000 peak=534 ppm1=3.749 ppm2=9.123 assign ( resid 2126 and name HB3 ) ( resid 2085 and name HB3 ) 2.7 0.9 0.9 volume=4222472.000 peak=1516 ppm1=2.923 ppm2=1.968 assign ( resid 2102 and name HA ) ( resid 2102 and name HB2 ) 2.5 0.8 0.8 volume=6538646.000 peak=1254 ppm1=3.970 ppm2=1.837 assign ( resid 2117 and name H ) ( resid 2117 and name HA ) 2.7 0.9 0.9 volume=335360.562 peak=341 ppm1=6.735 ppm2=4.197 assign ( resid 2105 and name HB ) ( resid 2105 and name H ) 2.3 0.6 0.6 volume=10705394.000 peak=659 ppm1=4.314 ppm2=8.572 assign ( resid 2094 and name HD1# ) ( resid 2089 and name HB2 ) 2.8 1.0 1.0 volume=3249648.250 peak=1116 ppm1=0.740 ppm2=2.793 assign ( resid 2121 and name H ) ( resid 2121 and name HA ) 2.5 0.8 0.8 volume=519790.031 peak=359 ppm1=7.998 ppm2=4.023 assign ( resid 2090 and name HG3 or resid 2090 and name HG2 ) ( resid 2090 and name HB3 ) 2.2 0.6 0.6 volume=12562842.000 peak=1067 ppm1=1.489 ppm2=1.928 assign ( resid 2060 and name HA ) ( resid 2060 and name HB3 or resid 2063 and name HB2 ) 2.1 0.5 0.5 volume=19758602.000 peak=1791 ppm1=3.531 ppm2=1.952 assign ( resid 2098 and name HG2# ) ( resid 2095 and name H ) 2.9 1.0 1.0 volume=2715105.250 peak=1160 ppm1=1.394 ppm2=7.997 assign ( resid 2129 and name H ) ( resid 2128 and name HB2 ) 2.8 1.0 1.0 volume=307637.344 peak=383 ppm1=8.930 ppm2=2.022 assign ( resid 2133 and name H ) ( resid 2133 and name HB3 ) 2.4 0.7 0.7 volume=673739.500 peak=399 ppm1=8.536 ppm2=3.284 assign ( resid 2092 and name H ) ( resid 2093 and name H ) 2.5 0.8 0.8 volume=543127.250 peak=201 ppm1=7.828 ppm2=7.497 assign ( resid 2098 and name HA ) ( resid 2098 and name H ) 2.5 0.8 0.8 volume=5448137.500 peak=1156 ppm1=4.070 ppm2=8.963 assign ( resid 2140 and name H ) ( resid 2140 and name HB3 ) 2.8 0.9 0.9 volume=311520.031 peak=424 ppm1=8.037 ppm2=3.080 assign ( resid 2098 and name H ) ( resid 2097 and name HB3 ) 2.6 0.8 0.8 volume=461568.156 peak=225 ppm1=8.974 ppm2=2.037 assign ( resid 2067 and name HA ) ( resid 2066 and name HG ) 2.8 1.0 1.0 volume=3383335.000 peak=724 ppm1=3.527 ppm2=1.608 assign ( resid 2133 and name HB2 ) ( resid 2133 and name HA ) 2.6 0.9 0.9 volume=4512958.500 peak=1649 ppm1=2.978 ppm2=3.866 assign ( resid 2109 and name HB3 ) ( resid 2109 and name HD21 ) 3.0 1.1 1.1 volume=1993002.125 peak=1339 ppm1=2.688 ppm2=7.425 assign ( resid 2088 and name HA ) ( resid 2089 and name H ) 2.3 0.7 0.7 volume=8981532.000 peak=1002 ppm1=4.448 ppm2=8.662 assign ( resid 2122 and name HD2 ) ( resid 2121 and name HB3 ) 3.0 1.1 1.1 volume=2118308.000 peak=1474 ppm1=6.836 ppm2=1.909 assign ( resid 2074 and name HA ) ( resid 2074 and name HB ) 2.1 0.5 0.5 volume=19594428.000 peak=812 ppm1=4.008 ppm2=2.206 assign ( resid 2133 and name HD2 ) ( resid 2060 and name HA ) 3.2 1.3 1.3 volume=1281766.500 peak=1659 ppm1=6.645 ppm2=3.540 assign ( resid 2089 and name HD# ) ( resid 2089 and name HB2 or resid 2089 and name HB3 ) 2.5 0.8 0.8 volume=6811903.500 peak=1032 ppm1=7.144 ppm2=2.778 assign ( resid 2102 and name HD2# ) ( resid 2103 and name H ) 3.1 1.2 1.2 volume=1749887.750 peak=1233 ppm1=0.801 ppm2=7.866 assign ( resid 2138 and name HG3 or resid 2138 and name HG2 ) ( resid 2138 and name HA ) 2.3 0.7 0.7 volume=9785982.000 peak=1734 ppm1=2.416 ppm2=4.396 assign ( resid 2119 and name HG13 ) ( resid 2103 and name HG2 ) 3.0 1.1 1.1 volume=1928627.250 peak=444 ppm1=1.272 ppm2=2.079 assign ( resid 2128 and name HA ) ( resid 2122 and name HB2 ) 2.7 0.9 0.9 volume=3609089.000 peak=1463 ppm1=4.073 ppm2=3.132 assign ( resid 2097 and name HB2 ) ( resid 2098 and name H ) 2.6 0.8 0.8 volume=5136045.500 peak=487 ppm1=1.764 ppm2=8.963 assign ( resid 2106 and name H ) ( resid 2105 and name H ) 2.7 0.9 0.9 volume=324446.594 peak=285 ppm1=8.321 ppm2=8.553 assign ( resid 2092 and name HA ) ( resid 2092 and name HD1# ) 1.9 0.4 0.4 volume=34097712.000 peak=1089 ppm1=4.374 ppm2=0.910 assign ( resid 2127 and name H ) ( resid 2126 and name HB2 ) 2.5 0.8 0.8 volume=553934.562 peak=377 ppm1=8.427 ppm2=2.905 assign ( resid 2062 and name HA ) ( resid 2062 and name HG2# ) 2.1 0.5 0.5 volume=18290034.000 peak=1813 ppm1=3.976 ppm2=1.208 assign ( resid 2063 and name HD2# ) ( resid 2133 and name H ) 2.4 0.7 0.7 volume=8233956.500 peak=1820 ppm1=0.874 ppm2=8.552 assign ( resid 2087 and name HB ) ( resid 2087 and name H ) 2.2 0.6 0.6 volume=12265560.000 peak=992 ppm1=3.974 ppm2=7.559 assign ( resid 2093 and name H ) ( resid 2075 and name HD1# or resid 2092 and name HD2# or resid 2094 and name HD1# ) 2.7 0.9 0.9 volume=355293.781 peak=205 ppm1=7.487 ppm2=0.776 assign ( resid 2063 and name HA or resid 2128 and name HA ) ( resid 2063 and name HD1# or resid 2066 and name HD2# or resid 2132 and name HD2# ) 1.9 0.5 0.5 volume=29588432.000 peak=1190 ppm1=4.119 ppm2=0.817 assign ( resid 2063 and name HG or resid 2100 and name HG or resid 2106 and name HG or resid 2115 and name HG2 or resid 2125 and name HG2 ) ( resid 2063 and name HA or resid 2085 and name HA or resid 2098 and name HA or resid 2106 and name HA or resid 2118 and name HA or resid 2125 and name HA ) 2.2 0.6 0.6 volume=12400882.000 peak=1191 ppm1=1.810 ppm2=4.150 assign ( resid 2054 and name HD2# or resid 2063 and name HD1# or resid 2075 and name HD1# or resid 2106 and name HD2# ) ( resid 2054 and name HB2 or resid 2063 and name HG or resid 2075 and name HG or resid 2106 and name HG ) 1.8 0.4 0.4 volume=50901380.000 peak=1638 ppm1=0.806 ppm2=1.802 assign ( resid 2089 and name HB3 ) ( resid 2089 and name HD# ) 2.5 0.8 0.8 volume=5472314.000 peak=1007 ppm1=2.777 ppm2=7.138 assign ( resid 2060 and name H ) ( resid 2059 and name HB3 ) 2.8 1.0 1.0 volume=285500.531 peak=53 ppm1=7.980 ppm2=2.589 assign ( resid 2126 and name HD2 ) ( resid 2127 and name HB# ) 3.1 1.2 1.2 volume=1847400.000 peak=1524 ppm1=6.917 ppm2=1.697 assign ( resid 2058 and name HB3 ) ( resid 2054 and name HB3 ) 2.5 0.8 0.8 volume=5866285.500 peak=646 ppm1=2.087 ppm2=1.556 assign ( resid 2122 and name HB2 ) ( resid 2122 and name HD2 ) 3.1 1.2 1.2 volume=1526386.750 peak=1460 ppm1=3.159 ppm2=6.836 assign ( resid 2119 and name HB ) ( resid 2119 and name HD1# ) 2.5 0.8 0.8 volume=6126937.000 peak=467 ppm1=1.704 ppm2=0.218 assign ( resid 2089 and name HA ) ( resid 2092 and name HG or resid 2092 and name HB3 or resid 2094 and name HB ) 2.6 0.8 0.8 volume=5211600.000 peak=1016 ppm1=4.167 ppm2=1.698 assign ( resid 2106 and name HD2# ) ( resid 2106 and name H ) 2.7 0.9 0.9 volume=3587304.750 peak=1304 ppm1=0.811 ppm2=8.312 assign ( resid 2058 and name HG3 or resid 2058 and name HG2 ) ( resid 2058 and name HE21 ) 2.5 0.8 0.8 volume=6488421.500 peak=610 ppm1=2.463 ppm2=7.680 assign ( resid 2094 and name HG2# ) ( resid 2099 and name HA ) 2.3 0.7 0.7 volume=10530530.000 peak=1132 ppm1=0.758 ppm2=3.749 assign ( resid 2125 and name HD2 ) ( resid 2124 and name HB or resid 2124 and name HA ) 2.4 0.7 0.7 volume=7747560.000 peak=1504 ppm1=3.762 ppm2=4.433 assign ( resid 2063 and name HB3 ) ( resid 2063 and name H ) 2.7 0.9 0.9 volume=3697586.500 peak=832 ppm1=1.320 ppm2=7.933 assign ( resid 2101 and name H ) ( resid 2100 and name HG ) 2.5 0.8 0.8 volume=534748.750 peak=250 ppm1=7.549 ppm2=1.823 assign ( resid 2071 and name HG2# ) ( resid 2071 and name H ) 2.2 0.6 0.6 volume=11922133.000 peak=875 ppm1=1.224 ppm2=8.250 assign ( resid 2106 and name HD2# ) ( resid 2103 and name HA ) 2.7 0.9 0.9 volume=4114281.250 peak=1314 ppm1=0.809 ppm2=3.712 assign ( resid 2094 and name HD1# ) ( resid 2094 and name HA ) 2.0 0.5 0.5 volume=20100798.000 peak=1123 ppm1=0.738 ppm2=4.003 assign ( resid 2088 and name HB# ) ( resid 2091 and name HB3 or resid 2091 and name HB2 ) 2.3 0.6 0.6 volume=11264881.000 peak=766 ppm1=1.536 ppm2=2.823 assign ( resid 2133 and name HB2 ) ( resid 2133 and name H ) 2.5 0.8 0.8 volume=6394741.000 peak=1640 ppm1=2.981 ppm2=8.540 assign ( resid 2066 and name HA ) ( resid 2066 and name HD1# ) 2.1 0.6 0.6 volume=16768081.000 peak=650 ppm1=4.230 ppm2=0.848 assign ( resid 2109 and name HB2 ) ( resid 2106 and name HA ) 2.8 1.0 1.0 volume=2994520.250 peak=1341 ppm1=2.841 ppm2=4.170 assign ( resid 2062 and name HB or resid 2065 and name HB or resid 2098 and name HB or resid 2105 and name HB ) ( resid 2059 and name HB2 or resid 2063 and name HG or resid 2066 and name HB2 or resid 2075 and name HG or resid 2102 and name HB2 or resid 2106 and name HG ) 2.7 0.9 0.9 volume=4164131.500 peak=1673 ppm1=4.258 ppm2=1.814 assign ( resid 2054 and name HB2 ) ( resid 2054 and name H ) 2.7 0.9 0.9 volume=3953086.750 peak=1837 ppm1=1.871 ppm2=7.400 assign ( resid 2049 and name HB2 ) ( resid 2047 and name HA or resid 2050 and name HA or resid 2110 and name HA ) 3.0 1.1 1.1 volume=1964203.500 peak=1865 ppm1=1.999 ppm2=4.524 assign ( resid 2133 and name HB3 ) ( resid 2130 and name HA ) 2.7 0.9 0.9 volume=4285640.500 peak=1650 ppm1=3.285 ppm2=3.978 assign ( resid 2134 and name H ) ( resid 2134 and name HG2# or resid 2135 and name HG2 or resid 2135 and name HG3 ) 2.5 0.8 0.8 volume=515438.344 peak=82 ppm1=8.264 ppm2=1.206 assign ( resid 2091 and name H ) ( resid 2090 and name H ) 2.8 1.0 1.0 volume=309614.438 peak=188 ppm1=7.186 ppm2=9.229 assign ( resid 2128 and name HB3 ) ( resid 2067 and name HG2# or resid 2128 and name HD1# ) 2.4 0.7 0.7 volume=8407398.000 peak=1554 ppm1=2.243 ppm2=1.030 assign ( resid 2130 and name H ) ( resid 2129 and name H ) 2.7 0.9 0.9 volume=355521.500 peak=127 ppm1=7.884 ppm2=8.920 assign ( resid 2102 and name HD1# ) ( resid 2102 and name H ) 2.8 1.0 1.0 volume=2864003.000 peak=1222 ppm1=0.506 ppm2=8.684 assign ( resid 2110 and name HG2# ) ( resid 2110 and name H ) 2.2 0.6 0.6 volume=11683268.000 peak=528 ppm1=1.258 ppm2=7.994 assign ( resid 2094 and name HD1# ) ( resid 2099 and name H ) 3.0 1.1 1.1 volume=2151841.250 peak=1128 ppm1=0.740 ppm2=9.123 assign ( resid 2118 and name HB2 ) ( resid 2119 and name H ) 2.9 1.1 1.1 volume=2483575.750 peak=1394 ppm1=1.724 ppm2=8.206 assign ( resid 2078 and name HA ) ( resid 2078 and name HB3 ) 2.4 0.7 0.7 volume=6984854.500 peak=863 ppm1=4.535 ppm2=3.243 assign ( resid 2112 and name H ) ( resid 2110 and name HB or resid 2112 and name HA ) 2.4 0.7 0.7 volume=674013.438 peak=326 ppm1=7.658 ppm2=4.189 assign ( resid 2131 and name HB3 ) ( resid 2132 and name H ) 2.9 1.0 1.0 volume=2697335.250 peak=1599 ppm1=2.542 ppm2=8.599 assign ( resid 2117 and name HG2# ) ( resid 2117 and name HB ) 2.5 0.8 0.8 volume=5549713.000 peak=1389 ppm1=1.164 ppm2=4.793 assign ( resid 2050 and name HD3 or resid 2050 and name HD2 ) ( resid 2050 and name HG3 or resid 2050 and name HG2 ) 1.9 0.5 0.5 volume=30965570.000 peak=557 ppm1=3.212 ppm2=1.646 assign ( resid 2069 and name H ) ( resid 2068 and name HB# or resid 2069 and name HB# ) 2.0 0.5 0.5 volume=1862589.375 peak=108 ppm1=8.639 ppm2=1.563 assign ( resid 2090 and name HA ) ( resid 2090 and name HG3 or resid 2090 and name HG2 ) 2.2 0.6 0.6 volume=11890747.000 peak=1063 ppm1=4.303 ppm2=1.509 assign ( resid 2118 and name HD2# ) ( resid 2118 and name HA ) 2.1 0.6 0.6 volume=17229898.000 peak=1409 ppm1=1.095 ppm2=4.087 assign ( resid 2104 and name H or resid 2128 and name H ) ( resid 2067 and name HG2# or resid 2100 and name HD2# or resid 2128 and name HD2# or resid 2128 and name HD1# ) 2.3 0.7 0.7 volume=828126.812 peak=272 ppm1=8.869 ppm2=1.054 assign ( resid 2130 and name HA ) ( resid 2130 and name HG2 or resid 2130 and name HB2 ) 2.0 0.5 0.5 volume=21029368.000 peak=1584 ppm1=3.989 ppm2=2.149 assign ( resid 2094 and name HG13 ) ( resid 2094 and name H ) 2.6 0.9 0.9 volume=4550981.500 peak=1110 ppm1=1.546 ppm2=7.526 assign ( resid 2105 and name HG2# or resid 2107 and name HG2# or resid 2110 and name HG2# ) ( resid 2105 and name HA or resid 2107 and name HA or resid 2110 and name HB ) 1.8 0.4 0.4 volume=42012976.000 peak=669 ppm1=1.317 ppm2=4.164 assign ( resid 2085 and name HG3 ) ( resid 2126 and name HB3 or resid 2126 and name HB2 ) 3.0 1.2 1.2 volume=1858077.125 peak=982 ppm1=2.021 ppm2=2.918 assign ( resid 2121 and name HB3 ) ( resid 2121 and name HA ) 2.3 0.7 0.7 volume=9349836.000 peak=1452 ppm1=1.900 ppm2=4.042 assign ( resid 2048 and name HB3 or resid 2048 and name HB2 or resid 2078 and name HB2 ) ( resid 2051 and name HD2# or resid 2051 and name HD1# or resid 2075 and name HD1# or resid 2083 and name HD1# ) 2.7 0.9 0.9 volume=4233880.000 peak=1872 ppm1=3.095 ppm2=0.774 assign ( resid 2112 and name HD1# ) ( resid 2112 and name H ) 2.6 0.9 0.9 volume=4548593.000 peak=1360 ppm1=0.670 ppm2=7.654 assign ( resid 2082 and name HB3 ) ( resid 2079 and name HG2# ) 2.7 0.9 0.9 volume=3785511.000 peak=917 ppm1=3.863 ppm2=1.213 assign ( resid 2102 and name HD2# ) ( resid 2089 and name HE# ) 2.9 1.0 1.0 volume=2622487.750 peak=1227 ppm1=0.805 ppm2=7.647 assign ( resid 2072 and name H ) ( resid 2083 and name HD1# or resid 2102 and name HD2# ) 2.6 0.9 0.9 volume=394222.562 peak=120 ppm1=8.378 ppm2=0.778 assign ( resid 2055 and name HA ) ( resid 2055 and name HB3 ) 2.6 0.9 0.9 volume=4322016.500 peak=581 ppm1=4.745 ppm2=4.424 assign ( resid 2102 and name HD2# ) ( resid 2071 and name H ) 2.6 0.9 0.9 volume=4432121.000 peak=1232 ppm1=0.806 ppm2=8.202 assign ( resid 2075 and name H ) ( resid 2075 and name HA ) 2.6 0.8 0.8 volume=441541.531 peak=133 ppm1=7.670 ppm2=4.311 assign ( resid 2070 and name HB# ) ( resid 2070 and name HA or resid 2105 and name HB ) 2.1 0.5 0.5 volume=19421476.000 peak=794 ppm1=1.403 ppm2=4.269 assign ( resid 2120 and name HD# ) ( resid 2120 and name HB2 ) 2.6 0.9 0.9 volume=4425517.500 peak=1443 ppm1=7.189 ppm2=2.980 assign ( resid 2080 and name HB3 ) ( resid 2080 and name HA ) 2.3 0.7 0.7 volume=10001204.000 peak=883 ppm1=2.151 ppm2=4.260 assign ( resid 2134 and name HA ) ( resid 2138 and name HG3 or resid 2138 and name HG2 ) 3.1 1.2 1.2 volume=1662787.250 peak=1678 ppm1=3.703 ppm2=2.424 assign ( resid 2063 and name HB3 or resid 2075 and name HB2 ) ( resid 2063 and name HD2# or resid 2075 and name HD1# or resid 2075 and name HD2# ) 2.0 0.5 0.5 volume=20857708.000 peak=835 ppm1=1.338 ppm2=0.820 assign ( resid 2089 and name HZ ) ( resid 2119 and name HD1# ) 3.4 1.4 1.4 volume=1012736.125 peak=1948 ppm1=6.915 ppm2=0.211 assign ( resid 2057 and name HA or resid 2118 and name HA ) ( resid 2057 and name HB2 or resid 2115 and name HG2 or resid 2118 and name HB3 ) 2.0 0.5 0.5 volume=23191700.000 peak=623 ppm1=4.076 ppm2=1.983 assign ( resid 2066 and name HD1# ) ( resid 2109 and name HB2 ) 2.4 0.7 0.7 volume=7733775.000 peak=699 ppm1=0.875 ppm2=2.855 assign ( resid 2064 and name HB# ) ( resid 2065 and name H ) 2.2 0.6 0.6 volume=14222445.000 peak=754 ppm1=1.565 ppm2=8.296 assign ( resid 2067 and name H ) ( resid 2066 and name H ) 2.7 0.9 0.9 volume=321192.094 peak=100 ppm1=8.811 ppm2=7.771 assign ( resid 2083 and name HG2# ) ( resid 2068 and name HA or resid 2083 and name HA ) 1.9 0.5 0.5 volume=30629740.000 peak=941 ppm1=0.786 ppm2=4.029 assign ( resid 2086 and name HB# ) ( resid 2086 and name HA ) 1.9 0.4 0.4 volume=34101544.000 peak=984 ppm1=1.328 ppm2=4.451 assign ( resid 2122 and name HB2 ) ( resid 2128 and name H ) 3.3 1.4 1.4 volume=1112372.750 peak=1457 ppm1=3.148 ppm2=8.882 assign ( resid 2049 and name HE# ) ( resid 2049 and name H ) 3.3 1.3 1.3 volume=1190513.750 peak=1870 ppm1=2.022 ppm2=8.285 assign ( resid 2135 and name HD3 ) ( resid 2112 and name HD2# or resid 2112 and name HD1# or resid 2132 and name HD1# ) 2.8 1.0 1.0 volume=2962762.000 peak=1702 ppm1=2.923 ppm2=0.764 assign ( resid 2125 and name HA ) ( resid 2128 and name H or resid 2129 and name H ) 2.9 1.1 1.1 volume=2264613.500 peak=1510 ppm1=4.114 ppm2=8.893 assign ( resid 2067 and name HA ) ( resid 2067 and name HB ) 2.5 0.8 0.8 volume=5680475.000 peak=722 ppm1=3.525 ppm2=2.253 assign ( resid 2117 and name HG2# ) ( resid 2120 and name HB2 ) 2.8 1.0 1.0 volume=3229686.000 peak=506 ppm1=1.165 ppm2=2.951 assign ( resid 2083 and name H ) ( resid 2083 and name HB ) 2.3 0.7 0.7 volume=823362.750 peak=157 ppm1=7.604 ppm2=2.202 assign ( resid 2087 and name HG2# ) ( resid 2092 and name HD2# ) 2.1 0.6 0.6 volume=16214042.000 peak=999 ppm1=1.350 ppm2=0.781 assign ( resid 2108 and name HB3 or resid 2108 and name HB2 ) ( resid 2108 and name H ) 2.4 0.7 0.7 volume=8809092.000 peak=1323 ppm1=3.302 ppm2=7.961 assign ( resid 2135 and name HD2 ) ( resid 2131 and name HE1 ) 3.0 1.1 1.1 volume=1960004.750 peak=1713 ppm1=3.056 ppm2=7.740 assign ( resid 2122 and name HB2 ) ( resid 2127 and name HB# or resid 2128 and name HG ) 2.8 1.0 1.0 volume=3177706.750 peak=1469 ppm1=3.143 ppm2=1.700 assign ( resid 2079 and name HB ) ( resid 2080 and name HG2 or resid 2080 and name HG3 or resid 2080 and name HB2 or resid 2081 and name HB3 or resid 2081 and name HB2 ) 2.8 1.0 1.0 volume=2828037.500 peak=877 ppm1=4.368 ppm2=2.047 assign ( resid 2133 and name HD2 ) ( resid 2133 and name HA ) 2.5 0.8 0.8 volume=5703353.000 peak=1658 ppm1=6.644 ppm2=3.855 assign ( resid 2120 and name HB3 ) ( resid 2096 and name H5 or resid 2117 and name HG2# ) 2.8 1.0 1.0 volume=2843370.750 peak=520 ppm1=3.187 ppm2=1.172 assign ( resid 2065 and name HB or resid 2105 and name HB ) ( resid 2065 and name H or resid 2106 and name H ) 2.1 0.5 0.5 volume=18788684.000 peak=660 ppm1=4.325 ppm2=8.302 assign ( resid 2135 and name HB2 or resid 2135 and name HB3 ) ( resid 2135 and name HA ) 2.6 0.8 0.8 volume=5007590.500 peak=1683 ppm1=1.660 ppm2=3.961 assign ( resid 2098 and name HA ) ( resid 2101 and name H ) 2.4 0.7 0.7 volume=6982055.000 peak=1161 ppm1=4.070 ppm2=7.547 assign ( resid 2090 and name HD2 or resid 2090 and name HD3 ) ( resid 2090 and name HA ) 2.7 0.9 0.9 volume=4189522.500 peak=511 ppm1=1.749 ppm2=4.301 assign ( resid 2067 and name H or resid 2104 and name H ) ( resid 2062 and name HG2# or resid 2063 and name HB3 or resid 2065 and name HG2# or resid 2071 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# or resid 2114 and name HD1# or resid 2119 and name HG13 ) 3.0 1.1 1.1 volume=177277.625 peak=97 ppm1=8.817 ppm2=1.284 assign ( resid 2089 and name HD# ) ( resid 2083 and name HG2# or resid 2092 and name HD2# or resid 2094 and name HG2# or resid 2094 and name HD1# ) 2.3 0.7 0.7 volume=9354453.000 peak=1050 ppm1=7.145 ppm2=0.767 assign ( resid 2133 and name H ) ( resid 2133 and name HA ) 2.7 0.9 0.9 volume=385304.906 peak=401 ppm1=8.537 ppm2=3.863 assign ( resid 2110 and name H ) ( resid 2106 and name HA or resid 2107 and name HA or resid 2110 and name HB ) 2.6 0.9 0.9 volume=416925.406 peak=314 ppm1=8.026 ppm2=4.172 assign ( resid 2066 and name HA ) ( resid 2069 and name H ) 2.7 0.9 0.9 volume=3974053.000 peak=681 ppm1=4.231 ppm2=8.610 assign ( resid 2140 and name H ) ( resid 2139 and name HA or resid 2140 and name HA ) 2.2 0.6 0.6 volume=1125420.500 peak=423 ppm1=8.046 ppm2=4.449 assign ( resid 2067 and name HA ) ( resid 2102 and name HD2# or resid 2106 and name HD1# ) 2.1 0.5 0.5 volume=18423060.000 peak=727 ppm1=3.525 ppm2=0.786 assign ( resid 2089 and name HA ) ( resid 2089 and name HD# ) 2.3 0.7 0.7 volume=9911678.000 peak=1003 ppm1=4.168 ppm2=7.156 assign ( resid 2106 and name HA ) ( resid 2106 and name H or resid 2109 and name H ) 2.5 0.8 0.8 volume=6741776.000 peak=1302 ppm1=4.175 ppm2=8.303 assign ( resid 2136 and name HA ) ( resid 2136 and name HD1# or resid 2136 and name HD2# ) 2.0 0.5 0.5 volume=25936350.000 peak=1720 ppm1=4.232 ppm2=0.953 assign ( resid 2122 and name HD2 ) ( resid 2122 and name HE1 ) 3.1 1.2 1.2 volume=1733549.125 peak=1475 ppm1=6.840 ppm2=7.305 assign ( resid 2057 and name HA or resid 2058 and name HA or resid 2061 and name HA or resid 2066 and name HA or resid 2081 and name HA or resid 2101 and name HA ) ( resid 2057 and name HB3 or resid 2058 and name HB3 or resid 2061 and name HB3 or resid 2066 and name HB3 or resid 2081 and name HB3 or resid 2081 and name HB2 or resid 2101 and name HB3 ) 1.8 0.4 0.4 volume=46673888.000 peak=906 ppm1=4.134 ppm2=2.068 assign ( resid 2112 and name HB2 ) ( resid 2112 and name HA ) 2.8 0.9 0.9 volume=3410228.250 peak=1362 ppm1=1.064 ppm2=4.284 assign ( resid 2094 and name HB ) ( resid 2089 and name HB2 ) 2.5 0.8 0.8 volume=5827050.500 peak=1105 ppm1=1.720 ppm2=2.790 assign ( resid 2059 and name HG3 ) ( resid 2059 and name HB3 ) 2.9 1.0 1.0 volume=2645699.000 peak=1770 ppm1=2.838 ppm2=2.589 assign ( resid 2128 and name HB3 ) ( resid 2128 and name HB2 ) 2.5 0.8 0.8 volume=6850310.000 peak=1552 ppm1=2.240 ppm2=1.987 assign ( resid 2138 and name HA ) ( resid 2138 and name HB3 or resid 2138 and name HB2 ) 2.0 0.5 0.5 volume=26032024.000 peak=1735 ppm1=4.398 ppm2=2.107 assign ( resid 2066 and name HG ) ( resid 2067 and name HA ) 3.0 1.1 1.1 volume=2109439.750 peak=692 ppm1=1.622 ppm2=3.534 assign ( resid 2075 and name HB3 ) ( resid 2075 and name H or resid 2077 and name HE1 ) 2.7 0.9 0.9 volume=4118766.750 peak=826 ppm1=1.570 ppm2=7.656 assign ( resid 2104 and name H ) ( resid 2104 and name HB3 ) 2.6 0.9 0.9 volume=420610.469 peak=268 ppm1=8.868 ppm2=2.895 assign ( resid 2102 and name HA ) ( resid 2074 and name HG1# ) 2.2 0.6 0.6 volume=12713412.000 peak=1256 ppm1=3.972 ppm2=1.042 assign ( resid 2094 and name H ) ( resid 2093 and name HA2 ) 2.9 1.1 1.1 volume=225453.734 peak=211 ppm1=7.536 ppm2=3.750 assign ( resid 2127 and name H ) ( resid 2124 and name HB ) 2.7 0.9 0.9 volume=324763.438 peak=376 ppm1=8.427 ppm2=4.427 assign ( resid 2060 and name HA ) ( resid 2129 and name HG2# ) 2.6 0.9 0.9 volume=4658069.000 peak=1579 ppm1=3.530 ppm2=1.090 assign ( resid 2129 and name HB ) ( resid 2129 and name HA ) 2.8 1.0 1.0 volume=2860551.250 peak=514 ppm1=3.536 ppm2=4.397 assign ( resid 2130 and name HG3 ) ( resid 2130 and name H ) 2.3 0.7 0.7 volume=10189883.000 peak=1585 ppm1=2.224 ppm2=7.892 assign ( resid 2067 and name HB or resid 2074 and name HB or resid 2080 and name HB3 ) ( resid 2066 and name HD2# or resid 2075 and name HD2# or resid 2083 and name HD1# or resid 2094 and name HD1# or resid 2106 and name HD2# or resid 2106 and name HD1# or resid 2132 and name HD2# ) 2.5 0.8 0.8 volume=6842220.500 peak=730 ppm1=2.247 ppm2=0.789 assign ( resid 2097 and name HD2# ) ( resid 2097 and name HB3 ) 2.0 0.5 0.5 volume=24885152.000 peak=499 ppm1=1.004 ppm2=2.007 assign ( resid 2049 and name HA ) ( resid 2049 and name HB3 ) 2.1 0.5 0.5 volume=17868814.000 peak=550 ppm1=4.332 ppm2=2.042 assign ( resid 2088 and name H ) ( resid 2088 and name HA ) 2.5 0.8 0.8 volume=496954.969 peak=437 ppm1=8.773 ppm2=4.449 assign ( resid 2123 and name HD2 ) ( resid 2123 and name HD3 ) 2.2 0.6 0.6 volume=12596088.000 peak=1479 ppm1=3.649 ppm2=3.404 assign ( resid 2051 and name H ) ( resid 2051 and name HB2 or resid 2051 and name HG or resid 2051 and name HB3 ) 2.7 0.9 0.9 volume=345754.375 peak=18 ppm1=8.739 ppm2=1.671 assign ( resid 2074 and name HG2# or resid 2124 and name HG2# ) ( resid 2089 and name H or resid 2102 and name H ) 2.3 0.7 0.7 volume=10132937.000 peak=817 ppm1=1.003 ppm2=8.676 assign ( resid 2066 and name H ) ( resid 2067 and name H ) 2.7 0.9 0.9 volume=355910.344 peak=84 ppm1=7.758 ppm2=8.816 assign ( resid 2089 and name HZ ) ( resid 2067 and name HG2# ) 2.4 0.7 0.7 volume=8639010.000 peak=1036 ppm1=6.915 ppm2=1.017 assign ( resid 2092 and name H or resid 2103 and name H or resid 2131 and name H or resid 2135 and name H ) ( resid 2063 and name HD2# or resid 2074 and name HG1# or resid 2092 and name HD1# or resid 2118 and name HD1# or resid 2128 and name HD2# or resid 2136 and name HD1# ) 2.7 0.9 0.9 volume=319281.281 peak=192 ppm1=7.819 ppm2=0.957 assign ( resid 2059 and name HB2 ) ( resid 2059 and name HG3 ) 2.9 1.0 1.0 volume=2665063.250 peak=1775 ppm1=1.825 ppm2=2.831 assign ( resid 2139 and name HA ) ( resid 2140 and name H ) 2.2 0.6 0.6 volume=12678699.000 peak=1738 ppm1=4.438 ppm2=8.043 assign ( resid 2102 and name HA ) ( resid 2102 and name H ) 2.6 0.8 0.8 volume=5102600.500 peak=1218 ppm1=3.971 ppm2=8.678 assign ( resid 2089 and name HE# ) ( resid 2128 and name HG ) 3.2 1.3 1.3 volume=1488791.500 peak=1042 ppm1=7.640 ppm2=1.687 assign ( resid 2102 and name HA ) ( resid 2102 and name HD1# ) 2.8 1.0 1.0 volume=3322619.500 peak=1244 ppm1=3.971 ppm2=0.503 assign ( resid 2102 and name HD1# ) ( resid 2102 and name HB2 ) 2.3 0.7 0.7 volume=10592486.000 peak=1263 ppm1=0.503 ppm2=1.845 assign ( resid 2067 and name HG2# ) ( resid 2089 and name HZ ) 2.8 1.0 1.0 volume=3075475.750 peak=876 ppm1=1.222 ppm2=6.919 assign ( resid 2083 and name HG12 ) ( resid 2083 and name HB ) 2.3 0.7 0.7 volume=9263844.000 peak=952 ppm1=1.687 ppm2=2.192 assign ( resid 2103 and name HA ) ( resid 2070 and name HB# or resid 2103 and name HG3 ) 2.7 0.9 0.9 volume=4222480.500 peak=1882 ppm1=3.714 ppm2=1.384 assign ( resid 2106 and name HD2# ) ( resid 2070 and name HA or resid 2106 and name HA or resid 2107 and name HA or resid 2118 and name HA or resid 2128 and name HA ) 2.7 0.9 0.9 volume=4101072.500 peak=1313 ppm1=0.810 ppm2=4.168 assign ( resid 2092 and name HB2 ) ( resid 2092 and name HB3 ) 2.2 0.6 0.6 volume=12579192.000 peak=1086 ppm1=2.117 ppm2=1.609 assign ( resid 2075 and name H ) ( resid 2074 and name HG2# ) 2.7 0.9 0.9 volume=367252.688 peak=134 ppm1=7.675 ppm2=1.028 assign ( resid 2134 and name HA ) ( resid 2137 and name H ) 3.2 1.3 1.3 volume=1398571.625 peak=1674 ppm1=3.694 ppm2=7.591 assign ( resid 2132 and name H ) ( resid 2131 and name HB2 ) 2.7 0.9 0.9 volume=365606.094 peak=389 ppm1=8.605 ppm2=2.855 assign ( resid 2088 and name H ) ( resid 2088 and name HB# ) 2.1 0.6 0.6 volume=1490894.625 peak=171 ppm1=8.776 ppm2=1.535 assign ( resid 2057 and name H ) ( resid 2057 and name HB2 ) 2.5 0.8 0.8 volume=625220.750 peak=426 ppm1=8.516 ppm2=2.018 assign ( resid 2089 and name HE# ) ( resid 2089 and name HD# ) 2.5 0.8 0.8 volume=6100242.000 peak=1026 ppm1=7.641 ppm2=7.142 assign ( resid 2088 and name H ) ( resid 2087 and name HG2# ) 2.3 0.7 0.7 volume=907401.250 peak=172 ppm1=8.773 ppm2=1.357 assign ( resid 2097 and name HD2# or resid 2100 and name HD1# ) ( resid 2097 and name HA ) 2.6 0.8 0.8 volume=5348338.000 peak=717 ppm1=1.061 ppm2=4.402 assign ( resid 2119 and name HD1# ) ( resid 2089 and name HZ ) 3.1 1.2 1.2 volume=1537029.375 peak=1428 ppm1=0.220 ppm2=6.904 assign ( resid 2122 and name HB2 ) ( resid 2122 and name HB3 ) 2.3 0.7 0.7 volume=9563126.000 peak=1465 ppm1=3.147 ppm2=2.370 assign ( resid 2089 and name HB3 ) ( resid 2090 and name H ) 3.1 1.2 1.2 volume=1553094.000 peak=1021 ppm1=2.748 ppm2=9.221 assign ( resid 2063 and name HG or resid 2097 and name HG or resid 2100 and name HG or resid 2106 and name HG ) ( resid 2064 and name H or resid 2098 and name H or resid 2104 and name H ) 3.1 1.2 1.2 volume=1678680.500 peak=1311 ppm1=1.814 ppm2=8.876 assign ( resid 2061 and name H ) ( resid 2061 and name HA ) 2.3 0.7 0.7 volume=814349.312 peak=55 ppm1=8.108 ppm2=4.113 assign ( resid 2084 and name HB2 or resid 2084 and name HB3 or resid 2087 and name HA ) ( resid 2092 and name HD1# or resid 2124 and name HG2# ) 2.6 0.9 0.9 volume=4647893.500 peak=957 ppm1=3.985 ppm2=0.941 assign ( resid 2055 and name HB2 ) ( resid 2055 and name HA ) 3.1 1.2 1.2 volume=1706867.000 peak=577 ppm1=4.045 ppm2=4.751 assign ( resid 2060 and name HG2 or resid 2130 and name HG3 or resid 2130 and name HG2 ) ( resid 2060 and name HE22 or resid 2130 and name HE22 ) 2.5 0.8 0.8 volume=6543919.000 peak=1805 ppm1=2.139 ppm2=7.048 assign ( resid 2080 and name HA ) ( resid 2080 and name HB3 or resid 2080 and name HB2 ) 2.0 0.5 0.5 volume=20306982.000 peak=880 ppm1=4.262 ppm2=2.121 assign ( resid 2115 and name HG3 ) ( resid 2118 and name HD2# ) 2.9 1.0 1.0 volume=2546076.000 peak=1915 ppm1=2.210 ppm2=1.108 assign ( resid 2120 and name HD# ) ( resid 2096 and name H4 or resid 2096 and name H5 or resid 2099 and name HB# or resid 2117 and name HG2# ) 2.6 0.8 0.8 volume=5201275.000 peak=524 ppm1=7.190 ppm2=1.185 assign ( resid 2083 and name HD1# ) ( resid 2077 and name HE1 or resid 2083 and name H or resid 2089 and name HE# ) 2.3 0.7 0.7 volume=8891757.000 peak=933 ppm1=0.744 ppm2=7.652 assign ( resid 2106 and name H ) ( resid 2106 and name HB2 ) 2.7 0.9 0.9 volume=374654.312 peak=292 ppm1=8.314 ppm2=1.096 assign ( resid 2071 and name HB ) ( resid 2071 and name HA ) 2.5 0.8 0.8 volume=5780881.500 peak=781 ppm1=3.694 ppm2=4.317 assign ( resid 2059 and name HA ) ( resid 2059 and name HB2 ) 2.5 0.8 0.8 volume=6427154.000 peak=1784 ppm1=3.829 ppm2=1.835 assign ( resid 2091 and name HB3 or resid 2091 and name HB2 ) ( resid 2088 and name H ) 3.0 1.1 1.1 volume=2019898.875 peak=1075 ppm1=2.823 ppm2=8.773 assign ( resid 2121 and name HB3 ) ( resid 2121 and name H ) 2.6 0.8 0.8 volume=4853907.000 peak=1447 ppm1=1.900 ppm2=7.995 assign ( resid 2098 and name HB ) ( resid 2099 and name H ) 3.0 1.1 1.1 volume=2084985.500 peak=1159 ppm1=4.197 ppm2=9.118 assign ( resid 2119 and name H ) ( resid 2119 and name HG2# ) 3.0 1.1 1.1 volume=186008.125 peak=352 ppm1=8.226 ppm2=0.415 assign ( resid 2102 and name HD2# ) ( resid 2119 and name HD1# ) 2.6 0.8 0.8 volume=5083013.000 peak=1249 ppm1=0.806 ppm2=0.216 assign ( resid 2121 and name HB3 ) ( resid 2121 and name HB2 ) 2.1 0.6 0.6 volume=15141733.000 peak=1453 ppm1=1.899 ppm2=2.346 assign ( resid 2054 and name HG or resid 2083 and name HG12 or resid 2128 and name HG ) ( resid 2053 and name HA3 or resid 2059 and name HA or resid 2082 and name HB3 or resid 2119 and name HA ) 3.0 1.1 1.1 volume=1947418.625 peak=691 ppm1=1.618 ppm2=3.826 assign ( resid 2067 and name HG1# ) ( resid 2068 and name H ) 2.4 0.7 0.7 volume=7290308.500 peak=709 ppm1=1.061 ppm2=8.575 assign ( resid 2084 and name HB2 or resid 2087 and name HA ) ( resid 2086 and name H or resid 2087 and name H ) 2.3 0.6 0.6 volume=11070948.000 peak=953 ppm1=3.987 ppm2=7.570 assign ( resid 2057 and name HG3 ) ( resid 2057 and name HA ) 2.0 0.5 0.5 volume=24617202.000 peak=620 ppm1=2.452 ppm2=4.095 assign ( resid 2112 and name HD1# ) ( resid 2135 and name HA ) 3.1 1.2 1.2 volume=1626085.750 peak=1944 ppm1=0.673 ppm2=3.955 assign ( resid 2104 and name HD21 ) ( resid 2101 and name HA ) 2.9 1.0 1.0 volume=244272.344 peak=276 ppm1=6.940 ppm2=4.144 assign ( resid 2136 and name H ) ( resid 2137 and name H ) 2.7 0.9 0.9 volume=320525.594 peak=411 ppm1=8.139 ppm2=7.587 assign ( resid 2098 and name HG2# ) ( resid 2074 and name HG2# ) 2.0 0.5 0.5 volume=24101522.000 peak=1164 ppm1=1.395 ppm2=1.005 assign ( resid 2102 and name HB2 ) ( resid 2102 and name HA ) 2.7 0.9 0.9 volume=4069023.000 peak=1234 ppm1=1.844 ppm2=3.983 assign ( resid 2080 and name HB3 ) ( resid 2081 and name H ) 3.0 1.2 1.2 volume=1863283.375 peak=885 ppm1=2.145 ppm2=9.065 assign ( resid 2095 and name HB2 ) ( resid 2095 and name HB3 ) 2.2 0.6 0.6 volume=11554432.000 peak=1146 ppm1=3.270 ppm2=2.667 assign ( resid 2102 and name H ) ( resid 2103 and name H ) 2.9 1.1 1.1 volume=207877.719 peak=261 ppm1=8.699 ppm2=7.820 assign ( resid 2050 and name HB3 ) ( resid 2050 and name HD3 or resid 2050 and name HD2 ) 2.4 0.7 0.7 volume=8280359.000 peak=561 ppm1=1.831 ppm2=3.209 assign ( resid 2067 and name HG1# or resid 2100 and name HD2# ) ( resid 2067 and name HB or resid 2101 and name HG3 ) 1.9 0.5 0.5 volume=29932994.000 peak=718 ppm1=1.064 ppm2=2.256 assign ( resid 2133 and name HA ) ( resid 2133 and name HB2 ) 2.5 0.8 0.8 volume=5677359.000 peak=474 ppm1=3.858 ppm2=2.981 assign ( resid 2100 and name HB3 ) ( resid 2100 and name H ) 2.3 0.7 0.7 volume=9760804.000 peak=1183 ppm1=1.939 ppm2=7.284 assign ( resid 2089 and name H ) ( resid 2088 and name HA ) 2.1 0.6 0.6 volume=1402602.125 peak=175 ppm1=8.662 ppm2=4.449 assign ( resid 2118 and name HD1# ) ( resid 2102 and name HD1# or resid 2119 and name HG2# ) 2.8 1.0 1.0 volume=3025619.750 peak=1415 ppm1=0.928 ppm2=0.470 assign ( resid 2064 and name HB# or resid 2068 and name HB# ) ( resid 2061 and name HA or resid 2064 and name HA or resid 2080 and name HA ) 1.8 0.4 0.4 volume=49660456.000 peak=756 ppm1=1.561 ppm2=4.195 assign ( resid 2067 and name H ) ( resid 2067 and name HA ) 2.6 0.9 0.9 volume=398965.844 peak=98 ppm1=8.807 ppm2=3.522 assign ( resid 2103 and name HD3 ) ( resid 2103 and name H ) 3.4 1.4 1.4 volume=1002866.750 peak=1270 ppm1=3.209 ppm2=7.833 assign ( resid 2065 and name HA ) ( resid 2065 and name HB ) 2.3 0.6 0.6 volume=10846001.000 peak=673 ppm1=4.001 ppm2=4.326 assign ( resid 2086 and name HA ) ( resid 2086 and name H ) 2.3 0.7 0.7 volume=9872352.000 peak=987 ppm1=4.452 ppm2=7.596 assign ( resid 2103 and name HG3 ) ( resid 2103 and name HD3 ) 2.9 1.1 1.1 volume=2264648.250 peak=1278 ppm1=1.397 ppm2=3.221 assign ( resid 2103 and name HG3 ) ( resid 2103 and name H ) 3.2 1.3 1.3 volume=1442405.750 peak=1893 ppm1=1.395 ppm2=7.821 assign ( resid 2113 and name HB3 ) ( resid 2114 and name H ) 3.1 1.2 1.2 volume=1828005.750 peak=1380 ppm1=2.534 ppm2=7.857 assign ( resid 2112 and name HA ) ( resid 2113 and name H ) 2.3 0.7 0.7 volume=9470216.000 peak=1361 ppm1=4.282 ppm2=8.556 assign ( resid 2059 and name H ) ( resid 2054 and name HB2 or resid 2059 and name HB2 ) 2.7 0.9 0.9 volume=320772.375 peak=48 ppm1=9.116 ppm2=1.847 assign ( resid 2088 and name HA ) ( resid 2088 and name HB# ) 2.1 0.5 0.5 volume=18060688.000 peak=1000 ppm1=4.451 ppm2=1.532 assign ( resid 2092 and name HD1# or resid 2114 and name HD2# ) ( resid 2087 and name HB or resid 2115 and name HD2 ) 2.1 0.6 0.6 volume=15419152.000 peak=1094 ppm1=0.921 ppm2=3.991 assign ( resid 2049 and name H or resid 2106 and name H ) ( resid 2049 and name HB3 or resid 2049 and name HB2 or resid 2106 and name HB3 ) 2.5 0.8 0.8 volume=577531.125 peak=289 ppm1=8.308 ppm2=2.005 assign ( resid 2126 and name HB2 ) ( resid 2085 and name HB2 ) 2.9 1.0 1.0 volume=2612409.000 peak=1518 ppm1=2.904 ppm2=2.419 assign ( resid 2127 and name HB# ) ( resid 2124 and name HG2# ) 2.4 0.7 0.7 volume=7561076.500 peak=1545 ppm1=1.711 ppm2=1.024 assign ( resid 2089 and name HB3 ) ( resid 2089 and name HA ) 2.8 1.0 1.0 volume=2865711.500 peak=1009 ppm1=2.774 ppm2=4.173 assign ( resid 2074 and name H ) ( resid 2074 and name HG1# ) 2.2 0.6 0.6 volume=1152769.250 peak=128 ppm1=7.919 ppm2=1.041 assign ( resid 2093 and name HA2 ) ( resid 2075 and name HD1# ) 2.7 0.9 0.9 volume=4244814.500 peak=1102 ppm1=3.752 ppm2=0.788 assign ( resid 2058 and name HA ) ( resid 2058 and name HG3 or resid 2058 and name HB2 or resid 2061 and name HG2 ) 2.0 0.5 0.5 volume=25788182.000 peak=652 ppm1=4.156 ppm2=2.463 assign ( resid 2072 and name HB# ) ( resid 2069 and name HA ) 2.2 0.6 0.6 volume=14873724.000 peak=795 ppm1=1.400 ppm2=4.076 assign ( resid 2133 and name HB2 ) ( resid 2133 and name HD2 ) 3.3 1.4 1.4 volume=1094712.750 peak=1642 ppm1=2.977 ppm2=6.642 assign ( resid 2118 and name HB3 ) ( resid 2119 and name H ) 3.1 1.2 1.2 volume=1851224.750 peak=1395 ppm1=2.073 ppm2=8.213 assign ( resid 2060 and name HA ) ( resid 2133 and name HB2 ) 3.3 1.3 1.3 volume=1227109.625 peak=1794 ppm1=3.533 ppm2=2.974 assign ( resid 2058 and name HB2 ) ( resid 2054 and name HD2# ) 2.6 0.9 0.9 volume=4544525.000 peak=648 ppm1=2.445 ppm2=0.843 assign ( resid 2129 and name H ) ( resid 2129 and name HA ) 2.4 0.7 0.7 volume=793185.562 peak=380 ppm1=8.925 ppm2=4.399 assign ( resid 2081 and name H ) ( resid 2082 and name H ) 3.1 1.2 1.2 volume=166444.812 peak=146 ppm1=9.069 ppm2=8.104 assign ( resid 2063 and name HB2 ) ( resid 2063 and name H ) 2.6 0.9 0.9 volume=4702645.000 peak=1817 ppm1=1.998 ppm2=7.937 assign ( resid 2054 and name HD1# or resid 2066 and name HD1# or resid 2092 and name HD2# ) ( resid 2054 and name HG or resid 2066 and name HG or resid 2092 and name HG ) 1.8 0.4 0.4 volume=42031408.000 peak=1096 ppm1=0.782 ppm2=1.646 assign ( resid 2104 and name HB2 ) ( resid 2104 and name HD21 ) 2.9 1.0 1.0 volume=2710688.750 peak=1294 ppm1=3.080 ppm2=6.956 assign ( resid 2101 and name HB2 or resid 2101 and name HB3 ) ( resid 2098 and name HG2# ) 2.4 0.7 0.7 volume=7000545.000 peak=1216 ppm1=2.097 ppm2=1.395 assign ( resid 2090 and name HG3 or resid 2090 and name HG2 ) ( resid 2091 and name H ) 3.8 1.8 1.8 volume=509599.094 peak=1938 ppm1=1.421 ppm2=7.242 assign ( resid 2110 and name HB ) ( resid 2112 and name HD2# ) 2.4 0.7 0.7 volume=8477220.000 peak=1354 ppm1=4.151 ppm2=0.779 assign ( resid 2063 and name HB3 ) ( resid 2063 and name HG ) 2.4 0.7 0.7 volume=6954070.500 peak=837 ppm1=1.326 ppm2=1.803 assign ( resid 2066 and name HB2 or resid 2100 and name HB2 ) ( resid 2066 and name HA or resid 2100 and name HA ) 2.3 0.7 0.7 volume=10212395.000 peak=1187 ppm1=1.809 ppm2=4.167 assign ( resid 2133 and name HE1 ) ( resid 2056 and name HB2 ) 2.9 1.0 1.0 volume=2577997.750 peak=1662 ppm1=7.735 ppm2=1.962 assign ( resid 2126 and name H ) ( resid 2126 and name HB3 or resid 2126 and name HB2 ) 2.2 0.6 0.6 volume=1124907.625 peak=37 ppm1=9.069 ppm2=2.910 assign ( resid 2059 and name HG3 ) ( resid 2059 and name HG2 ) 2.5 0.8 0.8 volume=6574126.500 peak=1771 ppm1=2.839 ppm2=2.339 assign ( resid 2104 and name HB2 ) ( resid 2105 and name H ) 2.9 1.1 1.1 volume=2495557.500 peak=1291 ppm1=3.075 ppm2=8.569 assign ( resid 2121 and name HA ) ( resid 2122 and name H ) 2.7 0.9 0.9 volume=3779744.750 peak=737 ppm1=4.029 ppm2=7.313 assign ( resid 2059 and name HB2 ) ( resid 2133 and name HD2 ) 3.0 1.1 1.1 volume=2118323.750 peak=1761 ppm1=1.820 ppm2=6.645 assign ( resid 2109 and name HD22 ) ( resid 2105 and name HG2# or resid 2110 and name HG2# ) 2.7 0.9 0.9 volume=348049.031 peak=311 ppm1=7.329 ppm2=1.316 assign ( resid 2102 and name HD1# ) ( resid 2071 and name HB ) 2.5 0.8 0.8 volume=6846643.000 peak=1243 ppm1=0.502 ppm2=3.716 assign ( resid 2062 and name H ) ( resid 2063 and name H ) 2.7 0.9 0.9 volume=392755.156 peak=58 ppm1=8.392 ppm2=7.944 assign ( resid 2102 and name HG ) ( resid 2102 and name HB2 ) 2.3 0.7 0.7 volume=9405356.000 peak=1259 ppm1=1.323 ppm2=1.858 assign ( resid 2058 and name HG3 or resid 2058 and name HG2 ) ( resid 2054 and name HA ) 3.6 1.6 1.6 volume=654188.312 peak=641 ppm1=2.482 ppm2=4.659 assign ( resid 2077 and name HD2 ) ( resid 2075 and name HD1# ) 2.6 0.8 0.8 volume=4903111.000 peak=855 ppm1=6.874 ppm2=0.775 assign ( resid 2094 and name HD1# ) ( resid 2102 and name H ) 3.1 1.2 1.2 volume=1685209.625 peak=1129 ppm1=0.740 ppm2=8.677 assign ( resid 2103 and name HD2 ) ( resid 2103 and name HG2 or resid 2118 and name HB3 ) 2.8 0.9 0.9 volume=3403590.250 peak=1887 ppm1=3.045 ppm2=2.064 assign ( resid 2081 and name HB3 or resid 2081 and name HB2 ) ( resid 2081 and name H ) 2.5 0.8 0.8 volume=6373759.000 peak=634 ppm1=2.050 ppm2=9.062 assign ( resid 2094 and name HG12 ) ( resid 2102 and name HD1# ) 3.0 1.1 1.1 volume=2139778.250 peak=1121 ppm1=1.430 ppm2=0.473 assign ( resid 2131 and name HA ) ( resid 2131 and name H ) 2.3 0.7 0.7 volume=9125212.000 peak=1593 ppm1=4.252 ppm2=7.918 assign ( resid 2063 and name HD1# or resid 2106 and name HD2# or resid 2132 and name HD2# ) ( resid 2064 and name H or resid 2067 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=3223936.750 peak=1822 ppm1=0.805 ppm2=8.857 assign ( resid 2129 and name HB ) ( resid 2126 and name HA ) 3.0 1.1 1.1 volume=2164208.500 peak=515 ppm1=3.536 ppm2=4.232 assign ( resid 2051 and name H ) ( resid 2050 and name HA or resid 2051 and name HA ) 2.5 0.8 0.8 volume=607926.625 peak=16 ppm1=8.741 ppm2=4.485 assign ( resid 2087 and name HB ) ( resid 2087 and name HG2# ) 2.0 0.5 0.5 volume=20375532.000 peak=991 ppm1=3.974 ppm2=1.356 assign ( resid 2119 and name HD1# ) ( resid 2119 and name HG13 ) 2.0 0.5 0.5 volume=24523030.000 peak=458 ppm1=0.221 ppm2=1.285 assign ( resid 2066 and name HB3 ) ( resid 2066 and name HD2# ) 1.9 0.5 0.5 volume=31668126.000 peak=687 ppm1=1.985 ppm2=0.814 assign ( resid 2105 and name HA ) ( resid 2105 and name H ) 2.5 0.8 0.8 volume=5774490.500 peak=1298 ppm1=4.125 ppm2=8.570 assign ( resid 2128 and name H ) ( resid 2127 and name HA or resid 2128 and name HA ) 2.3 0.6 0.6 volume=988035.562 peak=266 ppm1=8.874 ppm2=4.130 assign ( resid 2066 and name HB3 or resid 2100 and name HB3 or resid 2106 and name HB3 or resid 2128 and name HB2 ) ( resid 2063 and name HA or resid 2100 and name HA or resid 2106 and name HA or resid 2128 and name HA ) 2.2 0.6 0.6 volume=12908472.000 peak=1186 ppm1=1.960 ppm2=4.154 assign ( resid 2058 and name HA ) ( resid 2058 and name H ) 2.5 0.8 0.8 volume=6631518.500 peak=653 ppm1=4.159 ppm2=7.945 assign ( resid 2119 and name HD1# ) ( resid 2089 and name HD# ) 2.9 1.0 1.0 volume=2691799.750 peak=464 ppm1=0.220 ppm2=7.163 assign ( resid 2069 and name H ) ( resid 2066 and name HD1# or resid 2083 and name HG2# or resid 2083 and name HD1# or resid 2106 and name HD1# ) 3.0 1.1 1.1 volume=205106.844 peak=109 ppm1=8.634 ppm2=0.805 assign ( resid 2135 and name HB3 ) ( resid 2136 and name H ) 2.9 1.0 1.0 volume=2735165.750 peak=1682 ppm1=1.655 ppm2=8.135 assign ( resid 2085 and name HA ) ( resid 2086 and name H ) 3.0 1.2 1.2 volume=1900890.000 peak=962 ppm1=4.215 ppm2=7.592 assign ( resid 2091 and name H ) ( resid 2088 and name HB# or resid 2090 and name HG2 ) 2.3 0.6 0.6 volume=1044656.875 peak=191 ppm1=7.180 ppm2=1.533 assign ( resid 2098 and name HA or resid 2116 and name HA ) ( resid 2097 and name HB2 or resid 2100 and name HB2 or resid 2100 and name HG or resid 2118 and name HB2 ) 2.8 1.0 1.0 volume=2856227.250 peak=1878 ppm1=4.066 ppm2=1.782 assign ( resid 2102 and name HB2 ) ( resid 2102 and name H ) 2.5 0.8 0.8 volume=5792872.000 peak=1219 ppm1=1.850 ppm2=8.687 assign ( resid 2106 and name HD1# ) ( resid 2106 and name H ) 2.4 0.7 0.7 volume=7172638.000 peak=1305 ppm1=0.775 ppm2=8.305 assign ( resid 2075 and name HG ) ( resid 2075 and name H ) 2.6 0.8 0.8 volume=5011905.500 peak=825 ppm1=1.764 ppm2=7.659 assign ( resid 2077 and name HD2 ) ( resid 2075 and name HB2 ) 2.8 1.0 1.0 volume=3371373.750 peak=856 ppm1=6.875 ppm2=1.375 assign ( resid 2063 and name HD2# ) ( resid 2133 and name HB2 ) 2.4 0.7 0.7 volume=8788605.000 peak=1828 ppm1=0.874 ppm2=2.978 assign ( resid 2112 and name H ) ( resid 2112 and name HB2 ) 2.7 0.9 0.9 volume=370197.125 peak=329 ppm1=7.661 ppm2=1.067 assign ( resid 2116 and name HB2 ) ( resid 2117 and name H ) 3.2 1.3 1.3 volume=1476814.875 peak=1921 ppm1=2.338 ppm2=6.747 assign ( resid 2103 and name HA ) ( resid 2106 and name HB2 ) 2.6 0.9 0.9 volume=4328389.500 peak=1883 ppm1=3.714 ppm2=1.077 assign ( resid 2054 and name HB2 ) ( resid 2054 and name HA ) 3.2 1.3 1.3 volume=1369436.625 peak=1843 ppm1=1.865 ppm2=4.661 assign ( resid 2068 and name HA ) ( resid 2067 and name HG2# or resid 2067 and name HG1# ) 2.8 1.0 1.0 volume=2824377.000 peak=744 ppm1=4.041 ppm2=1.128 assign ( resid 2057 and name HB3 or resid 2060 and name HB2 ) ( resid 2057 and name HE22 or resid 2060 and name HE22 ) 3.0 1.1 1.1 volume=2210354.000 peak=1591 ppm1=2.112 ppm2=7.041 assign ( resid 2047 and name HB2 or resid 2047 and name HB3 ) ( resid 2136 and name HD1# or resid 2136 and name HD2# ) 2.9 1.0 1.0 volume=2781105.250 peak=535 ppm1=3.812 ppm2=0.940 assign ( resid 2112 and name HD1# ) ( resid 2114 and name H or resid 2135 and name H ) 3.2 1.3 1.3 volume=1348108.875 peak=1370 ppm1=0.670 ppm2=7.896 assign ( resid 2083 and name H ) ( resid 2082 and name H ) 2.6 0.8 0.8 volume=493350.031 peak=154 ppm1=7.598 ppm2=8.103 assign ( resid 2092 and name HD2# ) ( resid 2092 and name H ) 2.3 0.7 0.7 volume=9084972.000 peak=1092 ppm1=0.779 ppm2=7.815 assign ( resid 2059 and name HB2 ) ( resid 2060 and name H ) 2.9 1.0 1.0 volume=2701801.000 peak=1756 ppm1=1.827 ppm2=7.972 assign ( resid 2117 and name HG2# ) ( resid 2120 and name HD# ) 2.7 0.9 0.9 volume=3767942.250 peak=1387 ppm1=1.168 ppm2=7.184 assign ( resid 2118 and name HB3 ) ( resid 2114 and name HD2# or resid 2118 and name HD1# ) 2.5 0.8 0.8 volume=6241916.000 peak=1402 ppm1=2.064 ppm2=0.915 assign ( resid 2063 and name HA or resid 2128 and name HA ) ( resid 2064 and name H or resid 2128 and name H or resid 2129 and name H ) 2.6 0.8 0.8 volume=5416927.000 peak=1462 ppm1=4.090 ppm2=8.876 assign ( resid 2089 and name HA ) ( resid 2092 and name H ) 2.9 1.0 1.0 volume=2623593.000 peak=1022 ppm1=4.169 ppm2=7.820 assign ( resid 2129 and name HA ) ( resid 2130 and name H or resid 2131 and name H ) 2.4 0.7 0.7 volume=7188759.000 peak=1576 ppm1=4.396 ppm2=7.890 assign ( resid 2074 and name HG2# ) ( resid 2102 and name HD1# ) 2.7 0.9 0.9 volume=3495133.000 peak=821 ppm1=0.997 ppm2=0.494 assign ( resid 2120 and name HB2 ) ( resid 2120 and name H ) 2.5 0.8 0.8 volume=6014989.500 peak=1434 ppm1=2.981 ppm2=7.500 assign ( resid 2094 and name HG2# ) ( resid 2099 and name H ) 2.4 0.7 0.7 volume=8325893.000 peak=1131 ppm1=0.757 ppm2=9.121 assign ( resid 2087 and name HA ) ( resid 2087 and name HG2# ) 2.1 0.5 0.5 volume=19844382.000 peak=958 ppm1=4.002 ppm2=1.355 assign ( resid 2108 and name HA ) ( resid 2108 and name HB3 or resid 2108 and name HB2 ) 2.1 0.6 0.6 volume=17318378.000 peak=1330 ppm1=4.382 ppm2=3.306 assign ( resid 2061 and name H ) ( resid 2060 and name HB2 or resid 2061 and name HB3 ) 2.2 0.6 0.6 volume=1324100.250 peak=56 ppm1=8.108 ppm2=2.162 assign ( resid 2063 and name H ) ( resid 2062 and name HB or resid 2063 and name HA ) 2.6 0.8 0.8 volume=437016.781 peak=65 ppm1=7.940 ppm2=4.177 assign ( resid 2134 and name HA ) ( resid 2135 and name H ) 2.9 1.1 1.1 volume=2354237.500 peak=1675 ppm1=3.697 ppm2=7.911 assign ( resid 2115 and name HB3 ) ( resid 2115 and name HA ) 3.1 1.2 1.2 volume=1545169.500 peak=1904 ppm1=2.011 ppm2=4.922 assign ( resid 2059 and name HA ) ( resid 2059 and name H ) 2.6 0.9 0.9 volume=4329562.000 peak=1750 ppm1=3.830 ppm2=9.120 assign ( resid 2128 and name HD1# ) ( resid 2128 and name HB2 ) 2.2 0.6 0.6 volume=13315653.000 peak=1566 ppm1=1.005 ppm2=1.999 assign ( resid 2066 and name HD1# ) ( resid 2066 and name HA or resid 2106 and name HA ) 2.0 0.5 0.5 volume=22362548.000 peak=693 ppm1=0.877 ppm2=4.220 assign ( resid 2131 and name HB3 ) ( resid 2131 and name HD2 ) 3.1 1.2 1.2 volume=1660922.000 peak=1601 ppm1=2.538 ppm2=6.049 assign ( resid 2118 and name H ) ( resid 2118 and name HB2 ) 2.6 0.8 0.8 volume=469507.781 peak=349 ppm1=7.408 ppm2=1.715 assign ( resid 2112 and name HD1# ) ( resid 2112 and name HG ) 2.1 0.5 0.5 volume=18144958.000 peak=1376 ppm1=0.671 ppm2=1.404 assign ( resid 2099 and name HB# ) ( resid 2119 and name HG2# ) 2.3 0.7 0.7 volume=10477054.000 peak=1179 ppm1=1.284 ppm2=0.425 assign ( resid 2055 and name H ) ( resid 2058 and name H ) 3.0 1.1 1.1 volume=190964.219 peak=33 ppm1=9.060 ppm2=7.916 assign ( resid 2113 and name H ) ( resid 2113 and name HB3 ) 2.5 0.8 0.8 volume=603537.812 peak=334 ppm1=8.558 ppm2=2.541 assign ( resid 2102 and name HA ) ( resid 2102 and name HD2# ) 2.1 0.5 0.5 volume=19230056.000 peak=1252 ppm1=3.972 ppm2=0.802 assign ( resid 2097 and name HA ) ( resid 2098 and name H ) 3.0 1.1 1.1 volume=2252425.000 peak=1147 ppm1=4.416 ppm2=8.958 assign ( resid 2049 and name HE# ) ( resid 2112 and name HB3 or resid 2135 and name HB2 or resid 2135 and name HB3 or resid 2136 and name HB2 ) 2.5 0.8 0.8 volume=5439568.000 peak=1863 ppm1=2.020 ppm2=1.601 assign ( resid 2120 and name HB2 ) ( resid 2117 and name HA ) 2.5 0.8 0.8 volume=5635770.000 peak=1440 ppm1=2.983 ppm2=4.291 assign ( resid 2120 and name HD# ) ( resid 2120 and name HB3 ) 2.7 0.9 0.9 volume=4173589.750 peak=1444 ppm1=7.191 ppm2=3.183 assign ( resid 2092 and name HA ) ( resid 2093 and name H ) 2.9 1.0 1.0 volume=2548998.750 peak=1091 ppm1=4.377 ppm2=7.524 assign ( resid 2098 and name HA ) ( resid 2099 and name H ) 3.0 1.1 1.1 volume=2138035.250 peak=1158 ppm1=4.070 ppm2=9.117 assign ( resid 2092 and name HB2 ) ( resid 2092 and name H ) 2.6 0.8 0.8 volume=4826068.500 peak=1083 ppm1=2.116 ppm2=7.821 assign ( resid 2100 and name H ) ( resid 2099 and name H ) 2.7 0.9 0.9 volume=323205.938 peak=236 ppm1=7.284 ppm2=9.135 assign ( resid 2103 and name HA ) ( resid 2119 and name HD1# ) 3.1 1.2 1.2 volume=1835010.125 peak=1885 ppm1=3.722 ppm2=0.216 assign ( resid 2087 and name H ) ( resid 2087 and name HA or resid 2087 and name HB ) 2.0 0.5 0.5 volume=1896670.500 peak=5 ppm1=7.561 ppm2=3.986 assign ( resid 2118 and name HD2# ) ( resid 2115 and name HD3 ) 2.6 0.8 0.8 volume=5265240.500 peak=1412 ppm1=1.102 ppm2=3.709 assign ( resid 2059 and name HB3 ) ( resid 2133 and name HD2 ) 3.4 1.4 1.4 volume=1003583.938 peak=1762 ppm1=2.586 ppm2=6.641 assign ( resid 2101 and name HG2 ) ( resid 2101 and name HB2 or resid 2101 and name HB3 ) 1.9 0.4 0.4 volume=32782786.000 peak=1211 ppm1=2.401 ppm2=2.094 assign ( resid 2104 and name HB3 ) ( resid 2105 and name H ) 2.9 1.1 1.1 volume=2386947.500 peak=1289 ppm1=2.884 ppm2=8.567 assign ( resid 2059 and name HG3 ) ( resid 2059 and name H ) 2.8 1.0 1.0 volume=3143263.750 peak=1751 ppm1=2.844 ppm2=9.118 assign ( resid 2122 and name HD2 ) ( resid 2122 and name HB2 ) 3.1 1.2 1.2 volume=1640417.500 peak=1472 ppm1=6.837 ppm2=3.151 assign ( resid 2122 and name H ) ( resid 2119 and name HA ) 2.8 1.0 1.0 volume=263834.125 peak=365 ppm1=7.320 ppm2=3.861 assign ( resid 2089 and name HD# ) ( resid 2089 and name HA ) 2.5 0.8 0.8 volume=5957532.000 peak=1031 ppm1=7.147 ppm2=4.174 assign ( resid 2095 and name HB2 ) ( resid 2095 and name HA ) 3.0 1.2 1.2 volume=1864414.625 peak=1137 ppm1=3.269 ppm2=4.895 assign ( resid 2089 and name HZ ) ( resid 2125 and name HA ) 2.5 0.8 0.8 volume=5886539.500 peak=1030 ppm1=6.915 ppm2=4.114 assign ( resid 2124 and name HB ) ( resid 2125 and name HD3 ) 2.8 1.0 1.0 volume=3355962.000 peak=1497 ppm1=4.440 ppm2=2.531 assign ( resid 2069 and name HA ) ( resid 2069 and name HB# ) 1.9 0.4 0.4 volume=32152122.000 peak=760 ppm1=4.076 ppm2=1.551 assign ( resid 2128 and name HD2# ) ( resid 2102 and name HD1# or resid 2119 and name HG2# ) 2.9 1.1 1.1 volume=2335200.750 peak=1561 ppm1=1.047 ppm2=0.469 assign ( resid 2056 and name HG3 ) ( resid 2056 and name HD3 ) 2.5 0.8 0.8 volume=5779626.000 peak=594 ppm1=2.284 ppm2=3.982 assign ( resid 2122 and name HB3 ) ( resid 2127 and name HB# ) 2.7 0.9 0.9 volume=3874537.500 peak=1468 ppm1=2.373 ppm2=1.703 assign ( resid 2098 and name HA or resid 2116 and name HA ) ( resid 2097 and name H or resid 2119 and name H ) 3.4 1.5 1.5 volume=931026.938 peak=1879 ppm1=4.070 ppm2=8.211 assign ( resid 2118 and name H ) ( resid 2118 and name HD2# ) 2.7 0.9 0.9 volume=329945.375 peak=350 ppm1=7.413 ppm2=1.124 assign ( resid 2083 and name HA ) ( resid 2084 and name H ) 2.3 0.7 0.7 volume=10392070.000 peak=929 ppm1=4.026 ppm2=8.265 assign ( resid 2067 and name HB ) ( resid 2064 and name HB# or resid 2066 and name HG or resid 2068 and name HB# ) 2.7 0.9 0.9 volume=4161012.750 peak=728 ppm1=2.256 ppm2=1.624 assign ( resid 2089 and name HB2 ) ( resid 2089 and name H ) 3.0 1.1 1.1 volume=2065161.125 peak=1006 ppm1=2.805 ppm2=8.660 assign ( resid 2059 and name HG3 ) ( resid 2059 and name HE22 ) 2.9 1.0 1.0 volume=2619488.000 peak=1757 ppm1=2.839 ppm2=7.404 assign ( resid 2118 and name HD2# ) ( resid 2118 and name H or resid 2122 and name H ) 2.7 0.9 0.9 volume=3936013.000 peak=1392 ppm1=1.104 ppm2=7.389 assign ( resid 2050 and name HA ) ( resid 2050 and name HG2 ) 2.3 0.7 0.7 volume=9529376.000 peak=1860 ppm1=4.480 ppm2=1.644 assign ( resid 2127 and name HB# ) ( resid 2126 and name HB2 ) 2.9 1.0 1.0 volume=2670012.500 peak=1541 ppm1=1.711 ppm2=2.885 assign ( resid 2107 and name HA ) ( resid 2108 and name H or resid 2110 and name H ) 2.8 1.0 1.0 volume=2788526.750 peak=1320 ppm1=4.190 ppm2=7.982 assign ( resid 2057 and name HG2 or resid 2057 and name HG3 ) ( resid 2057 and name H ) 2.9 1.0 1.0 volume=2756850.750 peak=609 ppm1=2.452 ppm2=8.512 assign ( resid 2064 and name HA ) ( resid 2064 and name H or resid 2067 and name H ) 2.4 0.7 0.7 volume=7772641.500 peak=1835 ppm1=4.201 ppm2=8.876 assign ( resid 2102 and name HD1# ) ( resid 2094 and name HG12 or resid 2102 and name HB3 ) 2.2 0.6 0.6 volume=13784316.000 peak=1264 ppm1=0.501 ppm2=1.475 assign ( resid 2120 and name H ) ( resid 2119 and name H ) 2.6 0.9 0.9 volume=424900.125 peak=252 ppm1=7.495 ppm2=8.206 assign ( resid 2131 and name HB2 ) ( resid 2118 and name HD2# or resid 2128 and name HD2# ) 2.9 1.0 1.0 volume=2756933.000 peak=1608 ppm1=2.850 ppm2=1.046 assign ( resid 2094 and name HD1# ) ( resid 2098 and name HB ) 2.2 0.6 0.6 volume=11623321.000 peak=1122 ppm1=0.738 ppm2=4.199 assign ( resid 2102 and name HB2 ) ( resid 2102 and name HD1# ) 2.5 0.8 0.8 volume=6615271.000 peak=1245 ppm1=1.852 ppm2=0.499 assign ( resid 2136 and name HD1# ) ( resid 2136 and name H ) 2.6 0.8 0.8 volume=5300682.500 peak=1718 ppm1=0.869 ppm2=8.135 assign ( resid 2065 and name H ) ( resid 2066 and name H ) 2.7 0.9 0.9 volume=337807.656 peak=77 ppm1=8.306 ppm2=7.759 assign ( resid 2092 and name H or resid 2103 and name H ) ( resid 2087 and name HG2# or resid 2103 and name HG3 or resid 2119 and name HG13 ) 2.6 0.9 0.9 volume=429623.969 peak=194 ppm1=7.820 ppm2=1.353 assign ( resid 2130 and name HG2 ) ( resid 2130 and name HA ) 2.5 0.8 0.8 volume=6732117.500 peak=1588 ppm1=2.160 ppm2=3.992 assign ( resid 2137 and name HA ) ( resid 2137 and name HG2# ) 2.0 0.5 0.5 volume=21603520.000 peak=1730 ppm1=4.371 ppm2=0.991 assign ( resid 2065 and name H ) ( resid 2064 and name H ) 2.7 0.9 0.9 volume=355127.281 peak=76 ppm1=8.306 ppm2=8.895 assign ( resid 2110 and name H ) ( resid 2109 and name HB2 ) 2.9 1.1 1.1 volume=219448.047 peak=318 ppm1=8.010 ppm2=2.840 assign ( resid 2105 and name HA ) ( resid 2106 and name H ) 2.8 1.0 1.0 volume=3247529.000 peak=1299 ppm1=4.128 ppm2=8.307 assign ( resid 2112 and name HD1# ) ( resid 2047 and name HB2 or resid 2047 and name HB3 or resid 2111 and name HA3 ) 2.9 1.1 1.1 volume=2326619.500 peak=1372 ppm1=0.669 ppm2=3.826 assign ( resid 2133 and name H ) ( resid 2132 and name HB3 or resid 2135 and name HG2 or resid 2135 and name HG3 ) 2.7 0.9 0.9 volume=334111.125 peak=396 ppm1=8.538 ppm2=1.204 assign ( resid 2082 and name HB3 ) ( resid 2082 and name H ) 2.5 0.8 0.8 volume=5456318.000 peak=910 ppm1=3.864 ppm2=8.075 assign ( resid 2108 and name HB3 or resid 2108 and name HB2 ) ( resid 2108 and name HD2 ) 2.9 1.0 1.0 volume=2674668.250 peak=1326 ppm1=3.302 ppm2=7.027 assign ( resid 2055 and name HB3 ) ( resid 2056 and name HB3 or resid 2057 and name HG2 or resid 2058 and name HG3 or resid 2058 and name HG2 ) 2.9 1.0 1.0 volume=2654321.000 peak=584 ppm1=4.417 ppm2=2.462 assign ( resid 2085 and name HD2 or resid 2125 and name HD2 ) ( resid 2086 and name H or resid 2087 and name H or resid 2089 and name HE# ) 2.8 1.0 1.0 volume=3373350.750 peak=964 ppm1=3.817 ppm2=7.603 assign ( resid 2091 and name H ) ( resid 2091 and name HA ) 2.5 0.8 0.8 volume=525524.625 peak=189 ppm1=7.183 ppm2=4.627 assign ( resid 2074 and name HG1# ) ( resid 2074 and name HA or resid 2102 and name HA ) 1.9 0.4 0.4 volume=33400192.000 peak=818 ppm1=1.062 ppm2=3.998 assign ( resid 2102 and name HB3 ) ( resid 2102 and name H ) 2.6 0.8 0.8 volume=5234447.500 peak=1220 ppm1=1.511 ppm2=8.688 assign ( resid 2063 and name HG or resid 2097 and name HG or resid 2106 and name HG ) ( resid 2060 and name HA or resid 2067 and name HA or resid 2096 and name H28 ) 3.0 1.1 1.1 volume=2017453.250 peak=1312 ppm1=1.821 ppm2=3.529 assign ( resid 2085 and name HD2 ) ( resid 2084 and name HA ) 2.9 1.1 1.1 volume=2405430.750 peak=970 ppm1=3.819 ppm2=4.870 assign ( resid 2051 and name HB2 ) ( resid 2051 and name HA ) 2.7 0.9 0.9 volume=3620302.500 peak=575 ppm1=1.729 ppm2=4.492 assign ( resid 2060 and name HG3 ) ( resid 2057 and name HA or resid 2130 and name HA ) 2.8 1.0 1.0 volume=2931580.750 peak=1801 ppm1=1.943 ppm2=4.080 assign ( resid 2080 and name HA ) ( resid 2068 and name HB# or resid 2083 and name HG12 ) 2.5 0.8 0.8 volume=5972389.500 peak=878 ppm1=4.260 ppm2=1.664 assign ( resid 2054 and name HD1# or resid 2092 and name HD2# ) ( resid 2058 and name HG2 or resid 2058 and name HB2 or resid 2125 and name HD3 ) 2.5 0.8 0.8 volume=6516086.500 peak=1829 ppm1=0.870 ppm2=2.452 assign ( resid 2116 and name HB2 ) ( resid 2116 and name HA ) 2.2 0.6 0.6 volume=13242503.000 peak=1922 ppm1=2.340 ppm2=4.072 assign ( resid 2135 and name HG2 or resid 2135 and name HG3 ) ( resid 2135 and name HA ) 2.4 0.7 0.7 volume=7758889.000 peak=1693 ppm1=1.179 ppm2=3.961 assign ( resid 2102 and name H ) ( resid 2102 and name HB3 ) 2.5 0.8 0.8 volume=580504.438 peak=256 ppm1=8.692 ppm2=1.507 assign ( resid 2107 and name HA ) ( resid 2107 and name HG2# ) 2.2 0.6 0.6 volume=13028504.000 peak=1321 ppm1=4.188 ppm2=1.326 assign ( resid 2069 and name HB# ) ( resid 2069 and name H ) 1.8 0.4 0.4 volume=49784012.000 peak=748 ppm1=1.548 ppm2=8.633 assign ( resid 2134 and name H ) ( resid 2134 and name HB ) 2.3 0.7 0.7 volume=845182.250 peak=406 ppm1=8.271 ppm2=4.252 assign ( resid 2067 and name HG2# ) ( resid 2089 and name HE# ) 2.5 0.8 0.8 volume=5754349.500 peak=502 ppm1=1.126 ppm2=7.645 assign ( resid 2098 and name HG2# ) ( resid 2074 and name HB ) 2.3 0.7 0.7 volume=8855685.000 peak=1167 ppm1=1.395 ppm2=2.203 assign ( resid 2123 and name HB2 or resid 2123 and name HB3 ) ( resid 2094 and name HB or resid 2119 and name HB or resid 2127 and name HB# or resid 2128 and name HG ) 3.1 1.2 1.2 volume=1732022.625 peak=1487 ppm1=2.358 ppm2=1.731 assign ( resid 2122 and name HB3 ) ( resid 2128 and name HD2# ) 2.6 0.8 0.8 volume=5224888.000 peak=1467 ppm1=2.374 ppm2=1.041 assign ( resid 2124 and name HB ) ( resid 2124 and name HG2# ) 2.2 0.6 0.6 volume=13037062.000 peak=1495 ppm1=4.435 ppm2=1.011 assign ( resid 2074 and name HG1# ) ( resid 2074 and name HB ) 1.9 0.4 0.4 volume=35001824.000 peak=822 ppm1=1.063 ppm2=2.211 assign ( resid 2109 and name HB3 ) ( resid 2066 and name HD2# or resid 2066 and name HD1# ) 2.5 0.8 0.8 volume=5612418.000 peak=1342 ppm1=2.691 ppm2=0.814 assign ( resid 2110 and name HB ) ( resid 2110 and name HG2# ) 2.1 0.5 0.5 volume=18722978.000 peak=1353 ppm1=4.149 ppm2=1.256 assign ( resid 2076 and name HA2 ) ( resid 2076 and name H ) 2.6 0.8 0.8 volume=5164930.500 peak=849 ppm1=4.128 ppm2=7.763 assign ( resid 2118 and name HB3 ) ( resid 2118 and name HB2 ) 2.5 0.8 0.8 volume=6632566.000 peak=1399 ppm1=2.065 ppm2=1.713 assign ( resid 2119 and name HD1# ) ( resid 2119 and name HG12 ) 1.9 0.4 0.4 volume=35611560.000 peak=456 ppm1=0.221 ppm2=0.791 assign ( resid 2073 and name H ) ( resid 2072 and name HB# ) 2.5 0.8 0.8 volume=584336.875 peak=126 ppm1=8.195 ppm2=1.409 assign ( resid 2110 and name H ) ( resid 2109 and name H or resid 2111 and name H ) 2.3 0.7 0.7 volume=867823.062 peak=313 ppm1=8.019 ppm2=8.233 assign ( resid 2078 and name HD2 ) ( resid 2072 and name HB# ) 3.1 1.2 1.2 volume=1754730.000 peak=867 ppm1=6.958 ppm2=1.364 assign ( resid 2089 and name HB3 ) ( resid 2092 and name HD2# or resid 2094 and name HG2# or resid 2096 and name H8# ) 2.6 0.8 0.8 volume=5373414.000 peak=1015 ppm1=2.764 ppm2=0.767 assign ( resid 2105 and name H ) ( resid 2103 and name HG3 or resid 2105 and name HG2# ) 2.8 1.0 1.0 volume=310094.094 peak=283 ppm1=8.583 ppm2=1.322 assign ( resid 2115 and name HG2 ) ( resid 2117 and name H ) 3.1 1.2 1.2 volume=1554471.375 peak=1908 ppm1=1.922 ppm2=6.748 assign ( resid 2081 and name HG2 or resid 2081 and name HG3 ) ( resid 2079 and name HB ) 3.1 1.2 1.2 volume=1729270.500 peak=904 ppm1=2.315 ppm2=4.393 assign ( resid 2072 and name HA ) ( resid 2073 and name H ) 3.0 1.1 1.1 volume=1915792.750 peak=788 ppm1=3.699 ppm2=8.180 assign ( resid 2108 and name H ) ( resid 2108 and name HB3 or resid 2108 and name HB2 ) 2.4 0.7 0.7 volume=782321.812 peak=66 ppm1=7.955 ppm2=3.318 assign ( resid 2099 and name H ) ( resid 2096 and name HA or resid 2098 and name HB ) 2.8 1.0 1.0 volume=300113.438 peak=233 ppm1=9.123 ppm2=4.189 assign ( resid 2057 and name HB2 ) ( resid 2057 and name HG2 or resid 2057 and name HG3 ) 2.0 0.5 0.5 volume=26712692.000 peak=622 ppm1=1.992 ppm2=2.445 assign ( resid 2083 and name H ) ( resid 2083 and name HG2# or resid 2083 and name HD1# ) 2.5 0.8 0.8 volume=532972.938 peak=160 ppm1=7.596 ppm2=0.759 assign ( resid 2100 and name H ) ( resid 2097 and name HA ) 3.0 1.1 1.1 volume=175361.969 peak=239 ppm1=7.283 ppm2=4.381 assign ( resid 2065 and name HG2# ) ( resid 2065 and name HA ) 1.9 0.4 0.4 volume=35777860.000 peak=671 ppm1=1.323 ppm2=4.003 assign ( resid 2066 and name HD1# ) ( resid 2067 and name H ) 2.8 1.0 1.0 volume=2841144.250 peak=694 ppm1=0.876 ppm2=8.822 assign ( resid 2067 and name HG1# ) ( resid 2067 and name H ) 2.0 0.5 0.5 volume=21342114.000 peak=708 ppm1=1.064 ppm2=8.820 assign ( resid 2137 and name HB ) ( resid 2137 and name HG2# ) 1.9 0.5 0.5 volume=30377744.000 peak=1731 ppm1=4.236 ppm2=0.993 assign ( resid 2134 and name H ) ( resid 2135 and name H ) 2.8 1.0 1.0 volume=292817.781 peak=407 ppm1=8.263 ppm2=7.923 assign ( resid 2088 and name HB# ) ( resid 2088 and name H ) 1.9 0.4 0.4 volume=33452738.000 peak=751 ppm1=1.537 ppm2=8.772 assign ( resid 2099 and name HA ) ( resid 2119 and name HD1# ) 3.1 1.2 1.2 volume=1797091.500 peak=1180 ppm1=3.746 ppm2=0.216 assign ( resid 2132 and name HB2 ) ( resid 2132 and name HA ) 2.5 0.8 0.8 volume=5820408.000 peak=1628 ppm1=2.029 ppm2=3.547 assign ( resid 2065 and name HB ) ( resid 2066 and name H ) 2.5 0.8 0.8 volume=6709123.000 peak=662 ppm1=4.333 ppm2=7.774 assign ( resid 2083 and name H ) ( resid 2082 and name HA ) 2.8 1.0 1.0 volume=302622.969 peak=155 ppm1=7.604 ppm2=4.424 assign ( resid 2129 and name HA ) ( resid 2129 and name HB ) 2.7 0.9 0.9 volume=3688118.750 peak=1574 ppm1=4.399 ppm2=3.536 assign ( resid 2070 and name HA ) ( resid 2066 and name HD1# or resid 2102 and name HD2# or resid 2106 and name HD1# ) 2.4 0.7 0.7 volume=7465888.500 peak=776 ppm1=4.183 ppm2=0.808 assign ( resid 2072 and name HB# ) ( resid 2073 and name H ) 2.2 0.6 0.6 volume=11891676.000 peak=793 ppm1=1.399 ppm2=8.184 assign ( resid 2055 and name H ) ( resid 2058 and name H ) 2.9 1.1 1.1 volume=215674.125 peak=32 ppm1=9.059 ppm2=7.955 assign ( resid 2133 and name HA ) ( resid 2063 and name HD2# ) 2.0 0.5 0.5 volume=21358730.000 peak=472 ppm1=3.856 ppm2=0.862 assign ( resid 2118 and name HD2# ) ( resid 2118 and name HG ) 2.0 0.5 0.5 volume=20785650.000 peak=1417 ppm1=1.101 ppm2=1.569 assign ( resid 2054 and name HG or resid 2128 and name HG ) ( resid 2058 and name HG3 or resid 2058 and name HG2 or resid 2058 and name HB2 or resid 2059 and name HG2 or resid 2122 and name HB3 or resid 2123 and name HB3 ) 2.7 0.9 0.9 volume=4172853.250 peak=703 ppm1=1.616 ppm2=2.412 assign ( resid 2097 and name H ) ( resid 2098 and name H ) 2.4 0.7 0.7 volume=707319.062 peak=217 ppm1=8.237 ppm2=8.987 assign ( resid 2126 and name H ) ( resid 2085 and name HA or resid 2126 and name HA ) 2.4 0.7 0.7 volume=762406.312 peak=36 ppm1=9.066 ppm2=4.266 assign ( resid 2107 and name H ) ( resid 2108 and name H ) 2.8 1.0 1.0 volume=274615.062 peak=298 ppm1=9.116 ppm2=7.945 assign ( resid 2063 and name HA ) ( resid 2063 and name H ) 2.5 0.8 0.8 volume=5737218.500 peak=1816 ppm1=4.113 ppm2=7.925 assign ( resid 2118 and name H ) ( resid 2118 and name HA ) 2.5 0.8 0.8 volume=501852.688 peak=347 ppm1=7.408 ppm2=4.081 assign ( resid 2099 and name HB# ) ( resid 2099 and name H ) 2.0 0.5 0.5 volume=22979312.000 peak=1176 ppm1=1.282 ppm2=9.117 assign ( resid 2118 and name HB2 ) ( resid 2118 and name H ) 2.7 0.9 0.9 volume=4001304.000 peak=1391 ppm1=1.721 ppm2=7.400 assign ( resid 2054 and name HG or resid 2066 and name HG or resid 2128 and name HG ) ( resid 2059 and name HG3 or resid 2109 and name HB2 or resid 2131 and name HB2 ) 2.9 1.1 1.1 volume=2374591.000 peak=698 ppm1=1.611 ppm2=2.833 assign ( resid 2048 and name HD2 ) ( resid 2047 and name HA ) 3.4 1.4 1.4 volume=980353.750 peak=1877 ppm1=6.946 ppm2=4.513 assign ( resid 2113 and name HA ) ( resid 2113 and name HB2 ) 2.3 0.7 0.7 volume=9111496.000 peak=1383 ppm1=4.633 ppm2=2.686 assign ( resid 2104 and name HB2 ) ( resid 2104 and name HD22 ) 2.6 0.8 0.8 volume=4950428.500 peak=1290 ppm1=3.081 ppm2=7.830 assign ( resid 2132 and name HD2# ) ( resid 2132 and name HA ) 2.3 0.6 0.6 volume=11379548.000 peak=1633 ppm1=0.798 ppm2=3.546 assign ( resid 2049 and name HE# ) ( resid 2112 and name HD2# or resid 2136 and name HD1# ) 1.7 0.3 0.3 volume=68780120.000 peak=542 ppm1=2.019 ppm2=0.844 assign ( resid 2122 and name HD2 ) ( resid 2118 and name HA ) 2.8 1.0 1.0 volume=3020679.000 peak=1473 ppm1=6.840 ppm2=4.074 assign ( resid 2052 and name HD21 ) ( resid 2052 and name HD22 ) 2.2 0.6 0.6 volume=1359735.750 peak=20 ppm1=7.072 ppm2=7.810 assign ( resid 2100 and name HG ) ( resid 2100 and name H ) 2.5 0.8 0.8 volume=6758617.500 peak=1184 ppm1=1.806 ppm2=7.281 assign ( resid 2115 and name HB3 or resid 2116 and name HB3 ) ( resid 2116 and name HD3 or resid 2116 and name HD2 ) 2.6 0.9 0.9 volume=4594252.500 peak=599 ppm1=1.957 ppm2=3.822 assign ( resid 2057 and name H ) ( resid 2056 and name HD2 or resid 2056 and name HD3 or resid 2057 and name HA ) 2.6 0.8 0.8 volume=456298.031 peak=39 ppm1=8.515 ppm2=4.049 assign ( resid 2063 and name H ) ( resid 2063 and name HB2 ) 2.6 0.8 0.8 volume=462332.156 peak=67 ppm1=7.930 ppm2=1.999 assign ( resid 2059 and name HA ) ( resid 2059 and name HB3 ) 2.7 0.9 0.9 volume=3726213.500 peak=1768 ppm1=3.829 ppm2=2.581 assign ( resid 2075 and name HD1# ) ( resid 2077 and name HD2 ) 2.9 1.1 1.1 volume=2504823.500 peak=844 ppm1=0.810 ppm2=6.951 assign ( resid 2124 and name HB ) ( resid 2125 and name HD2 ) 2.7 0.9 0.9 volume=4299259.500 peak=1498 ppm1=4.435 ppm2=3.764 assign ( resid 2075 and name HB2 ) ( resid 2075 and name H or resid 2076 and name H ) 2.8 1.0 1.0 volume=3359944.000 peak=827 ppm1=1.363 ppm2=7.668 assign ( resid 2128 and name H ) ( resid 2128 and name HB3 ) 2.3 0.6 0.6 volume=1017984.688 peak=269 ppm1=8.871 ppm2=2.228 assign ( resid 2086 and name H ) ( resid 2084 and name HB2 or resid 2085 and name HD3 ) 2.6 0.9 0.9 volume=396594.875 peak=165 ppm1=7.617 ppm2=3.994 assign ( resid 2100 and name HA ) ( resid 2101 and name H ) 2.9 1.1 1.1 volume=2441297.750 peak=1185 ppm1=4.154 ppm2=7.548 assign ( resid 2108 and name HD2 ) ( resid 2105 and name HG2# or resid 2107 and name HG2# ) 3.0 1.2 1.2 volume=1853377.750 peak=1331 ppm1=7.028 ppm2=1.321 assign ( resid 2092 and name H or resid 2103 and name H ) ( resid 2092 and name HD2# or resid 2119 and name HG12 ) 2.6 0.8 0.8 volume=442155.781 peak=193 ppm1=7.819 ppm2=0.775 assign ( resid 2104 and name H or resid 2128 and name H ) ( resid 2103 and name HG2 or resid 2128 and name HB2 ) 2.4 0.7 0.7 volume=765295.750 peak=270 ppm1=8.873 ppm2=2.023 assign ( resid 2084 and name H ) ( resid 2083 and name HA or resid 2084 and name HB3 ) 2.1 0.6 0.6 volume=1431624.500 peak=161 ppm1=8.274 ppm2=4.009 assign ( resid 2105 and name HA ) ( resid 2105 and name HG2# ) 2.0 0.5 0.5 volume=20375544.000 peak=1301 ppm1=4.125 ppm2=1.311 assign ( resid 2137 and name HB ) ( resid 2138 and name H ) 2.9 1.0 1.0 volume=2573946.750 peak=1725 ppm1=4.237 ppm2=7.740 assign ( resid 2061 and name HG2 ) ( resid 2062 and name H ) 2.9 1.0 1.0 volume=2541653.750 peak=1808 ppm1=2.441 ppm2=8.382 assign ( resid 2076 and name H ) ( resid 2075 and name HB3 ) 3.0 1.1 1.1 volume=176404.625 peak=142 ppm1=7.762 ppm2=1.540 assign ( resid 2104 and name HA ) ( resid 2104 and name H ) 2.6 0.8 0.8 volume=5204132.500 peak=1286 ppm1=4.407 ppm2=8.867 assign ( resid 2093 and name HA2 ) ( resid 2093 and name H or resid 2094 and name H ) 2.2 0.6 0.6 volume=11591524.000 peak=1098 ppm1=3.755 ppm2=7.497 assign ( resid 2068 and name H ) ( resid 2068 and name HB# ) 2.2 0.6 0.6 volume=1244322.000 peak=103 ppm1=8.566 ppm2=1.654 assign ( resid 2129 and name HG2# ) ( resid 2064 and name H ) 2.1 0.6 0.6 volume=15944858.000 peak=503 ppm1=1.094 ppm2=8.900 assign ( resid 2066 and name HA ) ( resid 2066 and name HB2 ) 2.2 0.6 0.6 volume=12206243.000 peak=684 ppm1=4.231 ppm2=1.787 assign ( resid 2059 and name H ) ( resid 2058 and name HB3 ) 2.9 1.0 1.0 volume=249195.891 peak=47 ppm1=9.113 ppm2=2.102 assign ( resid 2101 and name HG2 ) ( resid 2102 and name H ) 3.1 1.2 1.2 volume=1576540.000 peak=1205 ppm1=2.406 ppm2=8.678 assign ( resid 2104 and name HA ) ( resid 2104 and name HB2 ) 2.4 0.7 0.7 volume=7366449.500 peak=1295 ppm1=4.406 ppm2=3.073 assign ( resid 2137 and name HB ) ( resid 2137 and name H ) 2.7 0.9 0.9 volume=3639735.750 peak=1722 ppm1=4.234 ppm2=7.582 assign ( resid 2080 and name HD3 ) ( resid 2080 and name HD2 ) 2.1 0.5 0.5 volume=19026598.000 peak=892 ppm1=3.943 ppm2=3.714 assign ( resid 2064 and name HB# or resid 2068 and name HB# ) ( resid 2060 and name HA or resid 2067 and name HA or resid 2129 and name HB ) 3.1 1.2 1.2 volume=1673525.750 peak=1542 ppm1=1.659 ppm2=3.522 assign ( resid 2074 and name HG1# ) ( resid 2071 and name H or resid 2073 and name H ) 2.7 0.9 0.9 volume=3639858.250 peak=816 ppm1=1.065 ppm2=8.187 assign ( resid 2133 and name HE1 ) ( resid 2056 and name HB3 or resid 2059 and name HB3 ) 3.1 1.2 1.2 volume=1651419.125 peak=1664 ppm1=7.734 ppm2=2.491 assign ( resid 2095 and name HB2 ) ( resid 2095 and name H ) 3.1 1.2 1.2 volume=1648335.500 peak=1139 ppm1=3.267 ppm2=8.004 assign ( resid 2076 and name HA3 ) ( resid 2076 and name H ) 2.5 0.8 0.8 volume=6271927.000 peak=850 ppm1=3.773 ppm2=7.769 assign ( resid 2115 and name HG3 or resid 2116 and name HG2 or resid 2116 and name HG3 ) ( resid 2117 and name H ) 3.1 1.2 1.2 volume=1536868.000 peak=1906 ppm1=2.211 ppm2=6.742 assign ( resid 2077 and name HD2 ) ( resid 2075 and name HB3 ) 3.1 1.2 1.2 volume=1831449.750 peak=857 ppm1=6.874 ppm2=1.566 assign ( resid 2119 and name HG12 ) ( resid 2119 and name HD1# ) 2.3 0.7 0.7 volume=9870797.000 peak=448 ppm1=0.803 ppm2=0.216 assign ( resid 2104 and name HB3 ) ( resid 2104 and name H ) 2.6 0.9 0.9 volume=4630157.000 peak=1288 ppm1=2.887 ppm2=8.870 assign ( resid 2135 and name HA ) ( resid 2135 and name HB2 or resid 2135 and name HB3 ) 2.2 0.6 0.6 volume=11728407.000 peak=1705 ppm1=3.963 ppm2=1.659 assign ( resid 2126 and name HE1 ) ( resid 2130 and name HG3 or resid 2130 and name HG2 ) 3.0 1.1 1.1 volume=2053275.125 peak=1529 ppm1=7.656 ppm2=2.170 assign ( resid 2078 and name H ) ( resid 2077 and name HA ) 2.6 0.9 0.9 volume=412494.406 peak=436 ppm1=8.693 ppm2=4.369 assign ( resid 2083 and name HG2# ) ( resid 2078 and name HD2 or resid 2089 and name HZ ) 3.3 1.4 1.4 volume=1183433.125 peak=1945 ppm1=0.780 ppm2=6.921 assign ( resid 2097 and name HD1# ) ( resid 2097 and name HB2 or resid 2097 and name HG ) 1.7 0.4 0.4 volume=52208528.000 peak=497 ppm1=0.945 ppm2=1.748 assign ( resid 2049 and name HG2 ) ( resid 2051 and name HD1# or resid 2136 and name HD1# ) 2.4 0.7 0.7 volume=7426627.500 peak=538 ppm1=2.492 ppm2=0.853 assign ( resid 2064 and name H ) ( resid 2065 and name H ) 2.6 0.9 0.9 volume=399122.906 peak=75 ppm1=8.897 ppm2=8.306 assign ( resid 2056 and name HG3 ) ( resid 2056 and name HA ) 2.9 1.0 1.0 volume=2582708.250 peak=593 ppm1=2.288 ppm2=4.375 assign ( resid 2089 and name HD# ) ( resid 2094 and name HG12 ) 2.8 1.0 1.0 volume=3330690.750 peak=1051 ppm1=7.143 ppm2=1.428 assign ( resid 2133 and name H ) ( resid 2063 and name HD2# ) 2.5 0.8 0.8 volume=540039.625 peak=395 ppm1=8.534 ppm2=0.856 assign ( resid 2082 and name HA ) ( resid 2083 and name H ) 2.5 0.8 0.8 volume=6804062.000 peak=912 ppm1=4.430 ppm2=7.598 assign ( resid 2138 and name HG3 or resid 2138 and name HG2 ) ( resid 2134 and name HG2# ) 2.5 0.8 0.8 volume=5543371.500 peak=1736 ppm1=2.415 ppm2=1.214 assign ( resid 2112 and name HD1# ) ( resid 2113 and name H ) 2.6 0.9 0.9 volume=4319808.500 peak=1369 ppm1=0.670 ppm2=8.557 assign ( resid 2091 and name H ) ( resid 2092 and name H ) 2.5 0.8 0.8 volume=600993.375 peak=187 ppm1=7.180 ppm2=7.824 assign ( resid 2106 and name HB2 ) ( resid 2106 and name HG ) 2.6 0.9 0.9 volume=4539379.500 peak=1308 ppm1=1.090 ppm2=1.830 assign ( resid 2138 and name HG3 or resid 2138 and name HG2 ) ( resid 2134 and name HA ) 3.2 1.2 1.2 volume=1509576.500 peak=1933 ppm1=2.413 ppm2=3.684 assign ( resid 2119 and name HD1# ) ( resid 2102 and name HB3 ) 2.3 0.6 0.6 volume=10663040.000 peak=1432 ppm1=0.220 ppm2=1.560 assign ( resid 2084 and name HB2 or resid 2084 and name HB3 ) ( resid 2085 and name HG2 or resid 2085 and name HG3 ) 2.9 1.0 1.0 volume=2757657.250 peak=956 ppm1=3.974 ppm2=2.045 assign ( resid 2122 and name HB3 ) ( resid 2122 and name HE1 or resid 2122 and name H ) 3.0 1.1 1.1 volume=2051814.500 peak=1456 ppm1=2.371 ppm2=7.317 assign ( resid 2101 and name H ) ( resid 2100 and name H ) 2.6 0.8 0.8 volume=480360.031 peak=245 ppm1=7.545 ppm2=7.283 assign ( resid 2125 and name HG2 ) ( resid 2089 and name HE# ) 3.0 1.2 1.2 volume=1866859.375 peak=1928 ppm1=1.908 ppm2=7.639 assign ( resid 2061 and name H ) ( resid 2061 and name HG3 or resid 2061 and name HG2 ) 2.6 0.8 0.8 volume=457531.844 peak=57 ppm1=8.110 ppm2=2.475 assign ( resid 2106 and name H ) ( resid 2105 and name HB ) 2.5 0.8 0.8 volume=607120.812 peak=286 ppm1=8.327 ppm2=4.310 assign ( resid 2057 and name HB2 or resid 2060 and name HB2 ) ( resid 2058 and name H or resid 2060 and name H ) 2.3 0.7 0.7 volume=10047952.000 peak=619 ppm1=2.029 ppm2=7.904 assign ( resid 2128 and name H ) ( resid 2127 and name HB# or resid 2128 and name HG ) 2.4 0.7 0.7 volume=667569.938 peak=271 ppm1=8.874 ppm2=1.698 assign ( resid 2087 and name H ) ( resid 2086 and name HA ) 2.6 0.8 0.8 volume=459738.625 peak=167 ppm1=7.557 ppm2=4.453 assign ( resid 2107 and name H ) ( resid 2105 and name HG2# or resid 2107 and name HG2# ) 2.7 0.9 0.9 volume=386007.750 peak=295 ppm1=9.113 ppm2=1.341 assign ( resid 2096 and name H ) ( resid 2095 and name HB3 ) 2.5 0.8 0.8 volume=512738.688 peak=12 ppm1=9.105 ppm2=2.664 assign ( resid 2054 and name HD2# ) ( resid 2054 and name H ) 2.7 0.9 0.9 volume=4286597.000 peak=1839 ppm1=0.868 ppm2=7.401 assign ( resid 2109 and name H ) ( resid 2066 and name HD2# or resid 2066 and name HD1# or resid 2106 and name HD1# ) 3.0 1.1 1.1 volume=182229.094 peak=308 ppm1=8.281 ppm2=0.824 assign ( resid 2105 and name HG2# or resid 2117 and name HG2# ) ( resid 2108 and name HB3 or resid 2108 and name HB2 or resid 2120 and name HB3 ) 2.8 1.0 1.0 volume=3053084.000 peak=873 ppm1=1.220 ppm2=3.251 assign ( resid 2085 and name HD2 ) ( resid 2085 and name HD3 ) 2.1 0.6 0.6 volume=16313192.000 peak=968 ppm1=3.822 ppm2=4.062 assign ( resid 2054 and name HB2 ) ( resid 2054 and name HB3 ) 2.3 0.7 0.7 volume=10442290.000 peak=1850 ppm1=1.868 ppm2=1.578 assign ( resid 2137 and name H ) ( resid 2136 and name HA or resid 2137 and name HB ) 2.5 0.8 0.8 volume=507357.969 peak=417 ppm1=7.590 ppm2=4.239 assign ( resid 2094 and name H ) ( resid 2094 and name HG13 ) 2.6 0.9 0.9 volume=407727.719 peak=209 ppm1=7.539 ppm2=1.542 assign ( resid 2073 and name H ) ( resid 2073 and name HB ) 2.3 0.7 0.7 volume=923970.750 peak=124 ppm1=8.188 ppm2=4.351 assign ( resid 2097 and name HG ) ( resid 2097 and name HA ) 2.4 0.7 0.7 volume=8456168.000 peak=491 ppm1=1.729 ppm2=4.417 assign ( resid 2068 and name HA ) ( resid 2068 and name H or resid 2069 and name H ) 2.4 0.7 0.7 volume=8714839.000 peak=731 ppm1=4.040 ppm2=8.572 assign ( resid 2109 and name HD22 ) ( resid 2109 and name HA ) 3.0 1.1 1.1 volume=185353.266 peak=312 ppm1=7.324 ppm2=4.589 assign ( resid 2078 and name HD2 ) ( resid 2083 and name HD1# ) 2.5 0.8 0.8 volume=5679795.000 peak=868 ppm1=6.957 ppm2=0.777 assign ( resid 2060 and name H ) ( resid 2060 and name HG3 ) 2.4 0.7 0.7 volume=745787.312 peak=52 ppm1=7.979 ppm2=1.958 assign ( resid 2111 and name H ) ( resid 2110 and name HA ) 2.8 1.0 1.0 volume=276493.844 peak=321 ppm1=8.206 ppm2=4.565 assign ( resid 2110 and name HA ) ( resid 2110 and name HG2# ) 2.1 0.6 0.6 volume=16754379.000 peak=1352 ppm1=4.528 ppm2=1.256 assign ( resid 2120 and name HB2 ) ( resid 2117 and name HG2# ) 2.8 1.0 1.0 volume=2905728.000 peak=521 ppm1=2.979 ppm2=1.179 assign ( resid 2070 and name HB# ) ( resid 2070 and name HA ) 1.9 0.4 0.4 volume=32581228.000 peak=773 ppm1=1.444 ppm2=4.177 assign ( resid 2072 and name HA ) ( resid 2077 and name HE1 ) 2.8 1.0 1.0 volume=3385137.000 peak=789 ppm1=3.703 ppm2=7.679 assign ( resid 2094 and name HG13 ) ( resid 2089 and name HD# ) 2.9 1.1 1.1 volume=2348382.750 peak=1111 ppm1=1.545 ppm2=7.156 assign ( resid 2106 and name HG ) ( resid 2106 and name H ) 2.5 0.8 0.8 volume=6141837.500 peak=1193 ppm1=1.821 ppm2=8.317 assign ( resid 2126 and name HB3 or resid 2126 and name HB2 ) ( resid 2126 and name H ) 2.5 0.8 0.8 volume=6164045.500 peak=1513 ppm1=2.915 ppm2=9.066 assign ( resid 2109 and name HB3 or resid 2113 and name HB2 ) ( resid 2109 and name HA or resid 2113 and name HA ) 2.4 0.7 0.7 volume=6938551.500 peak=1079 ppm1=2.690 ppm2=4.620 assign ( resid 2100 and name H ) ( resid 2100 and name HG ) 2.2 0.6 0.6 volume=1180855.375 peak=242 ppm1=7.283 ppm2=1.812 assign ( resid 2100 and name H ) ( resid 2098 and name HA or resid 2100 and name HA ) 2.6 0.8 0.8 volume=488174.812 peak=238 ppm1=7.284 ppm2=4.156 assign ( resid 2062 and name HA or resid 2065 and name HA or resid 2073 and name HA ) ( resid 2062 and name HB or resid 2065 and name HB or resid 2073 and name HB ) 2.2 0.6 0.6 volume=12164555.000 peak=672 ppm1=3.984 ppm2=4.288 assign ( resid 2117 and name HA ) ( resid 2117 and name HG2# ) 2.0 0.5 0.5 volume=23952554.000 peak=482 ppm1=4.209 ppm2=1.171 assign ( resid 2066 and name HD2# ) ( resid 2067 and name H ) 2.8 1.0 1.0 volume=3177610.250 peak=695 ppm1=0.799 ppm2=8.808 assign ( resid 2103 and name HG2 ) ( resid 2103 and name HD2 ) 3.0 1.1 1.1 volume=1985583.750 peak=1280 ppm1=1.996 ppm2=3.038 assign ( resid 2135 and name HB2 ) ( resid 2112 and name HD1# ) 2.5 0.8 0.8 volume=6566436.000 peak=1688 ppm1=1.655 ppm2=0.729 assign ( resid 2083 and name HB ) ( resid 2083 and name HG13 ) 2.4 0.7 0.7 volume=7123054.500 peak=921 ppm1=2.199 ppm2=1.457 assign ( resid 2100 and name HD2# ) ( resid 2104 and name HD21 ) 2.8 1.0 1.0 volume=3221628.750 peak=1197 ppm1=0.998 ppm2=6.946 assign ( resid 2096 and name H ) ( resid 2095 and name HB2 ) 2.4 0.7 0.7 volume=635147.875 peak=11 ppm1=9.108 ppm2=3.272 assign ( resid 2092 and name H or resid 2131 and name H ) ( resid 2089 and name HA or resid 2128 and name HA or resid 2131 and name HA ) 2.7 0.9 0.9 volume=381914.719 peak=198 ppm1=7.815 ppm2=4.159 assign ( resid 2083 and name H ) ( resid 2083 and name HG12 ) 2.5 0.8 0.8 volume=627455.688 peak=158 ppm1=7.602 ppm2=1.691 assign ( resid 2054 and name HB3 ) ( resid 2054 and name H ) 2.8 1.0 1.0 volume=2876029.000 peak=1838 ppm1=1.554 ppm2=7.400 assign ( resid 2067 and name H ) ( resid 2066 and name HG ) 2.8 1.0 1.0 volume=267256.562 peak=94 ppm1=8.809 ppm2=1.606 assign ( resid 2133 and name HD2 ) ( resid 2133 and name HB2 ) 3.0 1.1 1.1 volume=1979037.625 peak=1656 ppm1=6.638 ppm2=2.977 assign ( resid 2062 and name H ) ( resid 2061 and name H ) 2.6 0.9 0.9 volume=414800.531 peak=59 ppm1=8.395 ppm2=8.100 assign ( resid 2110 and name H ) ( resid 2066 and name HD2# or resid 2066 and name HD1# or resid 2112 and name HD2# or resid 2132 and name HD1# ) 2.9 1.1 1.1 volume=217502.453 peak=317 ppm1=8.012 ppm2=0.796 assign ( resid 2103 and name HG2 ) ( resid 2103 and name H ) 3.1 1.2 1.2 volume=1641408.625 peak=1894 ppm1=2.010 ppm2=7.807 assign ( resid 2099 and name HA ) ( resid 2100 and name H ) 3.0 1.2 1.2 volume=1905445.000 peak=791 ppm1=3.746 ppm2=7.283 assign ( resid 2099 and name H ) ( resid 2097 and name HB2 or resid 2097 and name HG or resid 2100 and name HG or resid 2102 and name HB2 or resid 2119 and name HB ) 3.0 1.1 1.1 volume=182006.500 peak=231 ppm1=9.127 ppm2=1.760 assign ( resid 2121 and name H ) ( resid 2120 and name H ) 2.5 0.8 0.8 volume=523843.094 peak=358 ppm1=8.002 ppm2=7.505 assign ( resid 2134 and name H ) ( resid 2133 and name HB2 ) 2.9 1.0 1.0 volume=240994.016 peak=403 ppm1=8.261 ppm2=2.978 assign ( resid 2096 and name H ) ( resid 2097 and name H ) 3.0 1.1 1.1 volume=199948.938 peak=216 ppm1=9.106 ppm2=8.225 assign ( resid 2135 and name HA ) ( resid 2135 and name HD2 ) 2.5 0.8 0.8 volume=6278976.000 peak=1708 ppm1=3.963 ppm2=3.058 assign ( resid 2110 and name HB ) ( resid 2049 and name HE# ) 3.0 1.1 1.1 volume=2189939.250 peak=1351 ppm1=4.143 ppm2=2.022 assign ( resid 2056 and name HB2 ) ( resid 2133 and name HE1 ) 3.4 1.4 1.4 volume=1014343.438 peak=596 ppm1=2.007 ppm2=7.719 assign ( resid 2099 and name HB# ) ( resid 2097 and name H or resid 2119 and name H ) 2.7 0.9 0.9 volume=3598359.750 peak=1177 ppm1=1.285 ppm2=8.219 assign ( resid 2120 and name HB3 ) ( resid 2120 and name HB2 ) 2.0 0.5 0.5 volume=20819940.000 peak=1441 ppm1=3.188 ppm2=2.983 assign ( resid 2050 and name H ) ( resid 2049 and name HB2 or resid 2050 and name HB2 ) 2.9 1.0 1.0 volume=254344.766 peak=14 ppm1=8.726 ppm2=2.024 assign ( resid 2102 and name HD2# ) ( resid 2072 and name H or resid 2106 and name H ) 2.9 1.0 1.0 volume=2738498.250 peak=1231 ppm1=0.805 ppm2=8.330 assign ( resid 2062 and name HB ) ( resid 2062 and name HG2# ) 1.8 0.4 0.4 volume=51388364.000 peak=1812 ppm1=4.250 ppm2=1.213 assign ( resid 2049 and name HG3 ) ( resid 2136 and name HD1# ) 2.4 0.7 0.7 volume=7970190.000 peak=539 ppm1=2.410 ppm2=0.852 assign ( resid 2101 and name HA ) ( resid 2101 and name H ) 2.3 0.7 0.7 volume=9350098.000 peak=1200 ppm1=4.138 ppm2=7.552 assign ( resid 2136 and name HA ) ( resid 2136 and name HG or resid 2136 and name HB3 ) 2.1 0.6 0.6 volume=16879810.000 peak=1719 ppm1=4.231 ppm2=1.763 assign ( resid 2059 and name HB2 ) ( resid 2059 and name H ) 2.8 1.0 1.0 volume=2800392.500 peak=1754 ppm1=1.831 ppm2=9.115 assign ( resid 2089 and name HE# ) ( resid 2083 and name HG2# or resid 2083 and name HD1# or resid 2092 and name HD2# or resid 2102 and name HD2# or resid 2106 and name HD2# ) 2.7 0.9 0.9 volume=4210956.500 peak=1045 ppm1=7.641 ppm2=0.783 assign ( resid 2122 and name H ) ( resid 2121 and name HB2 ) 2.5 0.8 0.8 volume=603684.688 peak=367 ppm1=7.315 ppm2=2.361 assign ( resid 2054 and name H ) ( resid 2053 and name HA3 ) 2.9 1.1 1.1 volume=227252.375 peak=23 ppm1=7.425 ppm2=3.823 assign ( resid 2071 and name HG2# or resid 2087 and name HG2# ) ( resid 2083 and name HG2# or resid 2083 and name HD1# or resid 2092 and name HD2# ) 1.6 0.3 0.3 volume=99185928.000 peak=807 ppm1=1.259 ppm2=0.783 assign ( resid 2133 and name HE1 ) ( resid 2059 and name HE21 or resid 2060 and name HE22 ) 3.2 1.2 1.2 volume=1511168.875 peak=1661 ppm1=7.732 ppm2=7.049 assign ( resid 2089 and name HB3 ) ( resid 2102 and name HD1# or resid 2119 and name HG2# ) 3.0 1.1 1.1 volume=2147511.750 peak=1013 ppm1=2.744 ppm2=0.429 assign ( resid 2059 and name HA ) ( resid 2059 and name HG2 ) 2.7 0.9 0.9 volume=4202939.000 peak=1769 ppm1=3.830 ppm2=2.343 assign ( resid 2120 and name HA ) ( resid 2120 and name HB2 ) 2.4 0.7 0.7 volume=7718371.500 peak=1061 ppm1=4.283 ppm2=2.992 assign ( resid 2068 and name HB# ) ( resid 2065 and name H or resid 2071 and name H ) 2.9 1.1 1.1 volume=2293965.500 peak=735 ppm1=1.656 ppm2=8.228 assign ( resid 2125 and name HA ) ( resid 2089 and name HZ ) 2.4 0.7 0.7 volume=8112045.000 peak=1500 ppm1=4.114 ppm2=6.916 assign ( resid 2097 and name HA ) ( resid 2097 and name HB2 or resid 2097 and name HG ) 2.1 0.5 0.5 volume=18237312.000 peak=495 ppm1=4.409 ppm2=1.757 assign ( resid 2136 and name H ) ( resid 2135 and name HB3 or resid 2136 and name HB2 ) 2.6 0.8 0.8 volume=446327.750 peak=414 ppm1=8.142 ppm2=1.588 assign ( resid 2108 and name HD2 ) ( resid 2108 and name HB3 or resid 2108 and name HB2 ) 2.6 0.9 0.9 volume=4651246.000 peak=1332 ppm1=7.026 ppm2=3.320 assign ( resid 2050 and name HB3 ) ( resid 2051 and name HD2# or resid 2051 and name HD1# ) 3.1 1.2 1.2 volume=1562836.500 peak=568 ppm1=1.831 ppm2=0.861 assign ( resid 2099 and name HA ) ( resid 2099 and name HB# ) 2.1 0.5 0.5 volume=19037640.000 peak=801 ppm1=3.748 ppm2=1.282 assign ( resid 2083 and name HG2# ) ( resid 2083 and name HG13 ) 2.1 0.5 0.5 volume=18829946.000 peak=950 ppm1=0.779 ppm2=1.435 assign ( resid 2076 and name H ) ( resid 2076 and name HA3 ) 2.4 0.7 0.7 volume=690322.750 peak=141 ppm1=7.764 ppm2=3.769 assign ( resid 2083 and name HA or resid 2094 and name HA ) ( resid 2083 and name HG12 or resid 2094 and name HB ) 2.4 0.7 0.7 volume=8298637.500 peak=931 ppm1=4.020 ppm2=1.701 assign ( resid 2093 and name HA3 ) ( resid 2093 and name H or resid 2094 and name H ) 2.3 0.7 0.7 volume=10052874.000 peak=1099 ppm1=4.472 ppm2=7.500 assign ( resid 2092 and name H or resid 2135 and name H ) ( resid 2092 and name HB3 or resid 2135 and name HB2 or resid 2135 and name HB3 ) 2.3 0.7 0.7 volume=853958.625 peak=195 ppm1=7.822 ppm2=1.684 assign ( resid 2108 and name H ) ( resid 2107 and name HB or resid 2108 and name HA ) 2.4 0.7 0.7 volume=697385.188 peak=299 ppm1=7.950 ppm2=4.375 assign ( resid 2066 and name HB2 ) ( resid 2066 and name HA ) 2.3 0.6 0.6 volume=10878966.000 peak=686 ppm1=1.790 ppm2=4.219 assign ( resid 2097 and name HD1# ) ( resid 2097 and name H ) 2.7 0.9 0.9 volume=3878460.000 peak=1154 ppm1=0.942 ppm2=8.218 assign ( resid 2058 and name HB3 or resid 2138 and name HB3 or resid 2138 and name HB2 ) ( resid 2061 and name H or resid 2134 and name H or resid 2136 and name H ) 3.0 1.1 1.1 volume=1935385.125 peak=1206 ppm1=2.088 ppm2=8.179 assign ( resid 2131 and name HD2 ) ( resid 2131 and name HB2 ) 2.9 1.1 1.1 volume=2285931.500 peak=1611 ppm1=6.046 ppm2=2.858 assign ( resid 2089 and name HA ) ( resid 2092 and name HD2# ) 2.1 0.6 0.6 volume=15158899.000 peak=1011 ppm1=4.169 ppm2=0.773 assign ( resid 2125 and name HG2 ) ( resid 2125 and name HG3 ) 2.3 0.6 0.6 volume=11294462.000 peak=1832 ppm1=1.818 ppm2=1.306 assign ( resid 2119 and name HG2# ) ( resid 2089 and name HD# ) 2.4 0.7 0.7 volume=7681446.500 peak=439 ppm1=0.425 ppm2=7.157 assign ( resid 2052 and name H ) ( resid 2052 and name HB3 or resid 2052 and name HB2 ) 2.6 0.8 0.8 volume=491414.250 peak=19 ppm1=8.306 ppm2=2.780 assign ( resid 2103 and name HG3 ) ( resid 2103 and name HG2 ) 2.3 0.6 0.6 volume=11250499.000 peak=1896 ppm1=1.400 ppm2=1.998 assign ( resid 2119 and name HB ) ( resid 2119 and name HG2# ) 2.2 0.6 0.6 volume=11965686.000 peak=466 ppm1=1.706 ppm2=0.423 assign ( resid 2130 and name HG2 ) ( resid 2126 and name HE1 ) 3.2 1.3 1.3 volume=1420212.875 peak=1941 ppm1=2.157 ppm2=7.648 assign ( resid 2106 and name HA ) ( resid 2066 and name HD2# or resid 2106 and name HD1# ) 1.9 0.5 0.5 volume=29363886.000 peak=1310 ppm1=4.175 ppm2=0.787 assign ( resid 2050 and name HB2 ) ( resid 2051 and name HD2# or resid 2051 and name HD1# ) 3.4 1.4 1.4 volume=1007117.000 peak=567 ppm1=1.922 ppm2=0.862 assign ( resid 2077 and name HE1 ) ( resid 2072 and name HB# ) 2.6 0.9 0.9 volume=4360566.000 peak=859 ppm1=7.679 ppm2=1.398 assign ( resid 2063 and name HD2# ) ( resid 2133 and name HB3 ) 2.6 0.8 0.8 volume=5241729.000 peak=1827 ppm1=0.874 ppm2=3.275 assign ( resid 2112 and name H ) ( resid 2112 and name HD2# ) 2.6 0.9 0.9 volume=430277.000 peak=330 ppm1=7.659 ppm2=0.756 assign ( resid 2083 and name HG2# or resid 2094 and name HG2# ) ( resid 2083 and name H or resid 2089 and name HE# or resid 2094 and name H ) 2.4 0.7 0.7 volume=7031433.000 peak=1125 ppm1=0.768 ppm2=7.555 assign ( resid 2083 and name HB ) ( resid 2083 and name HG2# ) 2.0 0.5 0.5 volume=22457638.000 peak=919 ppm1=2.198 ppm2=0.775 assign ( resid 2103 and name HD3 ) ( resid 2118 and name HD2# or resid 2118 and name HD1# ) 2.9 1.0 1.0 volume=2580182.500 peak=554 ppm1=3.213 ppm2=1.031 assign ( resid 2060 and name HG2 ) ( resid 2060 and name HA ) 2.4 0.7 0.7 volume=7122528.500 peak=1796 ppm1=2.119 ppm2=3.528 assign ( resid 2129 and name HG2# ) ( resid 2060 and name HA or resid 2129 and name HB ) 2.0 0.5 0.5 volume=25156600.000 peak=1582 ppm1=1.097 ppm2=3.535 assign ( resid 2097 and name HB3 or resid 2100 and name HB3 or resid 2106 and name HB3 or resid 2128 and name HB2 ) ( resid 2097 and name HD2# or resid 2100 and name HD1# or resid 2106 and name HB2 or resid 2128 and name HD2# or resid 2128 and name HD1# ) 2.0 0.5 0.5 volume=23763248.000 peak=1149 ppm1=2.018 ppm2=1.005 assign ( resid 2102 and name HD1# ) ( resid 2094 and name HA or resid 2102 and name HA ) 2.7 0.9 0.9 volume=4043177.750 peak=1238 ppm1=0.503 ppm2=3.981 assign ( resid 2113 and name HA ) ( resid 2113 and name HB3 ) 2.2 0.6 0.6 volume=11685041.000 peak=1384 ppm1=4.635 ppm2=2.533 assign ( resid 2065 and name H ) ( resid 2067 and name HG1# or resid 2129 and name HG2# ) 2.9 1.1 1.1 volume=222086.125 peak=434 ppm1=8.312 ppm2=1.076 assign ( resid 2080 and name HD3 ) ( resid 2081 and name H ) 3.5 1.5 1.5 volume=808716.812 peak=898 ppm1=3.937 ppm2=9.062 assign ( resid 2140 and name HD2 ) ( resid 2140 and name HA ) 3.0 1.1 1.1 volume=2126695.000 peak=1745 ppm1=7.056 ppm2=4.462 assign ( resid 2133 and name HB2 ) ( resid 2130 and name HA ) 2.8 1.0 1.0 volume=3384425.000 peak=1651 ppm1=2.979 ppm2=3.974 assign ( resid 2134 and name HA ) ( resid 2134 and name HB ) 2.4 0.7 0.7 volume=8517131.000 peak=1670 ppm1=3.703 ppm2=4.249 assign ( resid 2123 and name HA ) ( resid 2123 and name HB2 or resid 2123 and name HB3 ) 2.1 0.6 0.6 volume=15820870.000 peak=1489 ppm1=5.155 ppm2=2.355 assign ( resid 2073 and name HA ) ( resid 2073 and name HG2# ) 2.0 0.5 0.5 volume=22884178.000 peak=802 ppm1=3.927 ppm2=1.266 assign ( resid 2074 and name HG1# ) ( resid 2102 and name HD1# ) 2.4 0.7 0.7 volume=7641040.000 peak=820 ppm1=1.061 ppm2=0.498 assign ( resid 2094 and name HG2# ) ( resid 2089 and name HD# ) 2.8 1.0 1.0 volume=3253327.250 peak=1130 ppm1=0.759 ppm2=7.164 assign ( resid 2097 and name HG or resid 2100 and name HG or resid 2128 and name HG or resid 2136 and name HG ) ( resid 2097 and name HD2# or resid 2097 and name HD1# or resid 2100 and name HD2# or resid 2128 and name HD2# or resid 2128 and name HD1# or resid 2136 and name HD1# or resid 2136 and name HD2# ) 1.8 0.4 0.4 volume=37875972.000 peak=1150 ppm1=1.745 ppm2=0.944 assign ( resid 2130 and name H ) ( resid 2130 and name HG3 or resid 2130 and name HB2 ) 2.2 0.6 0.6 volume=1091032.875 peak=129 ppm1=7.892 ppm2=2.164 assign ( resid 2085 and name HB2 ) ( resid 2086 and name H ) 3.0 1.2 1.2 volume=1883336.625 peak=972 ppm1=2.415 ppm2=7.611 assign ( resid 2069 and name HA ) ( resid 2080 and name HG3 or resid 2080 and name HB3 ) 2.3 0.7 0.7 volume=10518313.000 peak=762 ppm1=4.077 ppm2=2.129 assign ( resid 2132 and name HA ) ( resid 2132 and name H ) 2.6 0.8 0.8 volume=5172990.500 peak=1616 ppm1=3.555 ppm2=8.595 assign ( resid 2063 and name HG or resid 2075 and name HG or resid 2106 and name HG ) ( resid 2063 and name HD1# or resid 2063 and name HD2# or resid 2075 and name HD1# or resid 2075 and name HD2# or resid 2106 and name HD2# or resid 2106 and name HD1# ) 1.7 0.4 0.4 volume=53011184.000 peak=1831 ppm1=1.814 ppm2=0.812 assign ( resid 2112 and name H ) ( resid 2111 and name H ) 2.6 0.8 0.8 volume=460453.688 peak=325 ppm1=7.657 ppm2=8.208 assign ( resid 2092 and name HD1# or resid 2114 and name HD2# ) ( resid 2092 and name H or resid 2114 and name H ) 2.4 0.7 0.7 volume=7370125.000 peak=533 ppm1=0.921 ppm2=7.828 assign ( resid 2135 and name HG2 or resid 2135 and name HG3 ) ( resid 2135 and name HD2 ) 2.4 0.7 0.7 volume=7517379.500 peak=1695 ppm1=1.178 ppm2=3.053 assign ( resid 2063 and name H ) ( resid 2063 and name HD1# ) 2.6 0.9 0.9 volume=415565.312 peak=68 ppm1=7.926 ppm2=0.848 assign ( resid 2059 and name HG3 ) ( resid 2054 and name HB3 ) 2.7 0.9 0.9 volume=3462672.250 peak=1781 ppm1=2.843 ppm2=1.591 assign ( resid 2101 and name HB2 ) ( resid 2101 and name H ) 2.1 0.6 0.6 volume=16132614.000 peak=637 ppm1=2.098 ppm2=7.550 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 ) 2.4 0.7 0.7 volume=7512017.500 peak=1077 ppm1=2.839 ppm2=4.615 assign ( resid 2071 and name HG2# ) ( resid 2071 and name H or resid 2072 and name H ) 2.2 0.6 0.6 volume=14312761.000 peak=665 ppm1=1.320 ppm2=8.296 assign ( resid 2131 and name HE1 ) ( resid 2135 and name HD3 ) 3.0 1.2 1.2 volume=1890296.000 peak=1526 ppm1=7.736 ppm2=2.919 assign ( resid 2074 and name HB ) ( resid 2075 and name H ) 2.8 1.0 1.0 volume=3208727.750 peak=810 ppm1=2.212 ppm2=7.658 assign ( resid 2119 and name HG2# ) ( resid 2089 and name HE# ) 2.9 1.1 1.1 volume=2318518.000 peak=1430 ppm1=0.425 ppm2=7.647 assign ( resid 2063 and name HB3 ) ( resid 2060 and name HA or resid 2129 and name HB ) 2.9 1.0 1.0 volume=2577644.500 peak=839 ppm1=1.317 ppm2=3.534 assign ( resid 2049 and name HG2 ) ( resid 2051 and name HG or resid 2051 and name HB3 or resid 2112 and name HB3 or resid 2135 and name HB3 or resid 2136 and name HB2 ) 3.0 1.1 1.1 volume=2174483.250 peak=541 ppm1=2.492 ppm2=1.616 assign ( resid 2067 and name HA ) ( resid 2070 and name HB# ) 2.4 0.7 0.7 volume=7441586.000 peak=725 ppm1=3.524 ppm2=1.444 assign ( resid 2102 and name H ) ( resid 2101 and name HB2 ) 2.5 0.8 0.8 volume=505595.656 peak=254 ppm1=8.697 ppm2=2.096 assign ( resid 2071 and name H ) ( resid 2071 and name HA ) 2.4 0.7 0.7 volume=635307.188 peak=115 ppm1=8.200 ppm2=4.328 assign ( resid 2066 and name HB2 or resid 2092 and name HB3 ) ( resid 2066 and name HA or resid 2092 and name HA ) 2.6 0.8 0.8 volume=4811107.000 peak=489 ppm1=1.692 ppm2=4.347 assign ( resid 2085 and name HB3 ) ( resid 2126 and name H ) 2.9 1.0 1.0 volume=2649011.500 peak=977 ppm1=1.971 ppm2=9.069 assign ( resid 2061 and name HB3 ) ( resid 2061 and name H ) 2.3 0.6 0.6 volume=11485912.000 peak=1809 ppm1=2.151 ppm2=8.100 assign ( resid 2078 and name HB3 ) ( resid 2078 and name HD2 ) 2.9 1.1 1.1 volume=2280709.500 peak=866 ppm1=3.245 ppm2=6.961 assign ( resid 2060 and name H ) ( resid 2060 and name HG2 or resid 2060 and name HB2 ) 2.4 0.7 0.7 volume=682055.250 peak=51 ppm1=7.983 ppm2=2.109 assign ( resid 2111 and name H ) ( resid 2110 and name H ) 2.6 0.8 0.8 volume=452537.500 peak=320 ppm1=8.213 ppm2=8.010 assign ( resid 2049 and name H ) ( resid 2048 and name HA ) 2.7 0.9 0.9 volume=359633.688 peak=288 ppm1=8.296 ppm2=4.744 assign ( resid 2067 and name HG2# or resid 2079 and name HG2# or resid 2105 and name HG2# ) ( resid 2081 and name H or resid 2107 and name H or resid 2126 and name H ) 2.8 1.0 1.0 volume=2991786.000 peak=874 ppm1=1.220 ppm2=9.066 assign ( resid 2135 and name HA ) ( resid 2136 and name H ) 2.8 1.0 1.0 volume=3105619.000 peak=1679 ppm1=3.963 ppm2=8.128 assign ( resid 2133 and name HA ) ( resid 2133 and name HB3 ) 2.7 0.9 0.9 volume=4068358.750 peak=475 ppm1=3.855 ppm2=3.281 assign ( resid 2089 and name H ) ( resid 2089 and name HA ) 2.6 0.9 0.9 volume=412638.906 peak=176 ppm1=8.648 ppm2=4.177 assign ( resid 2059 and name HB3 ) ( resid 2059 and name HB2 ) 2.4 0.7 0.7 volume=7531444.500 peak=1786 ppm1=2.591 ppm2=1.830 assign ( resid 2098 and name HG2# ) ( resid 2098 and name H ) 2.2 0.6 0.6 volume=12717972.000 peak=1157 ppm1=1.395 ppm2=8.966 assign ( resid 2100 and name H ) ( resid 2100 and name HD1# or resid 2100 and name HD2# ) 2.7 0.9 0.9 volume=334863.719 peak=241 ppm1=7.282 ppm2=1.041 assign ( resid 2068 and name H ) ( resid 2067 and name HG1# ) 2.7 0.9 0.9 volume=372642.219 peak=102 ppm1=8.564 ppm2=1.101 assign ( resid 2083 and name HG13 ) ( resid 2068 and name HA or resid 2083 and name HA ) 2.7 0.9 0.9 volume=4301781.500 peak=942 ppm1=1.459 ppm2=4.036 assign ( resid 2056 and name HB2 ) ( resid 2056 and name HA ) 2.5 0.8 0.8 volume=5687251.000 peak=592 ppm1=2.011 ppm2=4.368 assign ( resid 2082 and name H ) ( resid 2081 and name HA ) 2.8 0.9 0.9 volume=311894.031 peak=149 ppm1=8.110 ppm2=4.124 assign ( resid 2103 and name HA ) ( resid 2104 and name H ) 3.0 1.2 1.2 volume=1895693.375 peak=1273 ppm1=3.715 ppm2=8.865 assign ( resid 2135 and name HG2 or resid 2135 and name HG3 ) ( resid 2135 and name H ) 2.4 0.7 0.7 volume=8711102.000 peak=1690 ppm1=1.177 ppm2=7.907 assign ( resid 2100 and name HD2# ) ( resid 2101 and name HA ) 2.1 0.6 0.6 volume=15233977.000 peak=1198 ppm1=0.997 ppm2=4.148 assign ( resid 2104 and name HB2 ) ( resid 2104 and name H ) 2.7 0.9 0.9 volume=4304614.500 peak=1287 ppm1=3.079 ppm2=8.873 assign ( resid 2132 and name HB3 ) ( resid 2063 and name HD2# or resid 2132 and name HD1# ) 2.0 0.5 0.5 volume=21395476.000 peak=1630 ppm1=1.207 ppm2=0.811 assign ( resid 2127 and name H ) ( resid 2128 and name H ) 2.6 0.8 0.8 volume=440405.469 peak=374 ppm1=8.428 ppm2=8.893 assign ( resid 2067 and name H ) ( resid 2066 and name HB3 ) 2.6 0.8 0.8 volume=447036.688 peak=93 ppm1=8.808 ppm2=1.992 assign ( resid 2136 and name HA ) ( resid 2136 and name H ) 2.4 0.7 0.7 volume=7132268.500 peak=1716 ppm1=4.233 ppm2=8.138 assign ( resid 2127 and name HA ) ( resid 2130 and name HG3 or resid 2130 and name HB2 ) 2.4 0.7 0.7 volume=8321839.000 peak=1535 ppm1=4.143 ppm2=2.158 assign ( resid 2109 and name H ) ( resid 2109 and name HA ) 2.6 0.9 0.9 volume=426119.562 peak=301 ppm1=8.277 ppm2=4.595 assign ( resid 2057 and name HE22 or resid 2061 and name HE22 or resid 2138 and name HE21 ) ( resid 2057 and name HG2 or resid 2057 and name HG3 or resid 2061 and name HG3 or resid 2061 and name HG2 or resid 2138 and name HG2 ) 2.3 0.7 0.7 volume=927938.875 peak=41 ppm1=6.962 ppm2=2.459 assign ( resid 2070 and name HB# ) ( resid 2102 and name HD1# ) 2.7 0.9 0.9 volume=4203100.000 peak=778 ppm1=1.446 ppm2=0.492 assign ( resid 2094 and name HG12 ) ( resid 2094 and name HG2# or resid 2094 and name HD1# ) 2.1 0.5 0.5 volume=18123168.000 peak=1119 ppm1=1.425 ppm2=0.757 assign ( resid 2119 and name H ) ( resid 2103 and name HG2 or resid 2118 and name HB3 ) 2.9 1.1 1.1 volume=224073.188 peak=356 ppm1=8.227 ppm2=2.051 assign ( resid 2071 and name HG2# ) ( resid 2071 and name HB ) 2.0 0.5 0.5 volume=22117042.000 peak=785 ppm1=1.249 ppm2=3.698 assign ( resid 2135 and name HA ) ( resid 2135 and name HD3 ) 2.7 0.9 0.9 volume=4096737.000 peak=1709 ppm1=3.965 ppm2=2.928 assign ( resid 2083 and name HG2# ) ( resid 2083 and name HB ) 2.0 0.5 0.5 volume=27062160.000 peak=947 ppm1=0.787 ppm2=2.199 assign ( resid 2082 and name H ) ( resid 2081 and name H ) 2.7 0.9 0.9 volume=327449.500 peak=147 ppm1=8.105 ppm2=9.063 assign ( resid 2129 and name HA ) ( resid 2129 and name HG2# ) 2.1 0.6 0.6 volume=15995145.000 peak=1575 ppm1=4.398 ppm2=1.086 assign ( resid 2056 and name HB2 ) ( resid 2057 and name H ) 3.1 1.2 1.2 volume=1740375.625 peak=597 ppm1=2.011 ppm2=8.511 assign ( resid 2138 and name HB2 ) ( resid 2138 and name H ) 2.5 0.8 0.8 volume=6393296.500 peak=632 ppm1=2.138 ppm2=7.773 assign ( resid 2109 and name H ) ( resid 2105 and name HA or resid 2106 and name HA or resid 2107 and name HA ) 2.7 0.9 0.9 volume=318971.625 peak=303 ppm1=8.274 ppm2=4.173 assign ( resid 2138 and name HB2 ) ( resid 2138 and name HA ) 2.3 0.7 0.7 volume=10578413.000 peak=1276 ppm1=2.138 ppm2=4.396 assign ( resid 2138 and name H ) ( resid 2138 and name HB3 or resid 2138 and name HB2 ) 2.5 0.8 0.8 volume=530538.062 peak=422 ppm1=7.743 ppm2=2.094 assign ( resid 2101 and name HA ) ( resid 2104 and name HD22 ) 2.6 0.8 0.8 volume=5179184.500 peak=1203 ppm1=4.140 ppm2=7.832 assign ( resid 2104 and name HB3 ) ( resid 2104 and name HD22 ) 2.5 0.8 0.8 volume=5673215.500 peak=1292 ppm1=2.887 ppm2=7.829 assign ( resid 2132 and name HD2# ) ( resid 2132 and name HG or resid 2132 and name HB2 ) 1.9 0.4 0.4 volume=37187252.000 peak=1636 ppm1=0.794 ppm2=2.084 assign ( resid 2059 and name HA ) ( resid 2060 and name H or resid 2063 and name H ) 2.8 1.0 1.0 volume=3257203.500 peak=1755 ppm1=3.829 ppm2=7.966 assign ( resid 2119 and name HG13 ) ( resid 2118 and name HB2 or resid 2119 and name HB ) 2.5 0.8 0.8 volume=5594098.000 peak=443 ppm1=1.268 ppm2=1.717 assign ( resid 2058 and name HB3 ) ( resid 2054 and name HD2# or resid 2054 and name HD1# ) 2.3 0.6 0.6 volume=10664208.000 peak=645 ppm1=2.088 ppm2=0.839 assign ( resid 2058 and name H ) ( resid 2057 and name H ) 2.8 1.0 1.0 volume=281797.406 peak=428 ppm1=7.926 ppm2=8.517 assign ( resid 2119 and name HA ) ( resid 2119 and name HD1# ) 2.1 0.6 0.6 volume=15636979.000 peak=470 ppm1=3.852 ppm2=0.218 assign ( resid 2127 and name HA ) ( resid 2130 and name H ) 2.6 0.9 0.9 volume=4521905.000 peak=1531 ppm1=4.156 ppm2=7.899 assign ( resid 2140 and name HA ) ( resid 2140 and name HB2 ) 2.1 0.6 0.6 volume=15430610.000 peak=1743 ppm1=4.473 ppm2=3.191 assign ( resid 2089 and name HZ ) ( resid 2125 and name HG2 or resid 2128 and name HB2 ) 3.0 1.1 1.1 volume=2137524.750 peak=1034 ppm1=6.913 ppm2=2.004 assign ( resid 2061 and name HG2 ) ( resid 2061 and name HE22 ) 2.5 0.8 0.8 volume=6157919.500 peak=608 ppm1=2.449 ppm2=6.960 assign ( resid 2095 and name HB2 ) ( resid 2097 and name H ) 3.5 1.5 1.5 volume=859524.625 peak=1141 ppm1=3.260 ppm2=8.239 assign ( resid 2064 and name H ) ( resid 2064 and name HB# ) 2.2 0.6 0.6 volume=1244715.375 peak=71 ppm1=8.894 ppm2=1.566 assign ( resid 2071 and name HA ) ( resid 2071 and name HB ) 2.3 0.7 0.7 volume=10127894.000 peak=783 ppm1=4.326 ppm2=3.691 assign ( resid 2102 and name HB3 ) ( resid 2099 and name HA or resid 2103 and name HA ) 2.9 1.0 1.0 volume=2698641.250 peak=1240 ppm1=1.510 ppm2=3.737 assign ( resid 2127 and name H ) ( resid 2127 and name HA ) 2.5 0.8 0.8 volume=545349.750 peak=375 ppm1=8.426 ppm2=4.144 assign ( resid 2055 and name H ) ( resid 2054 and name HA ) 2.2 0.6 0.6 volume=1110607.750 peak=28 ppm1=9.047 ppm2=4.680 assign ( resid 2062 and name HG2# or resid 2105 and name HG2# or resid 2107 and name HG2# or resid 2110 and name HG2# or resid 2117 and name HG2# ) ( resid 2062 and name HB or resid 2105 and name HA or resid 2107 and name HA or resid 2110 and name HB or resid 2117 and name HA ) 1.8 0.4 0.4 volume=45712420.000 peak=1349 ppm1=1.255 ppm2=4.178 assign ( resid 2120 and name HB3 ) ( resid 2117 and name HA or resid 2120 and name HA ) 2.6 0.8 0.8 volume=5285005.000 peak=1439 ppm1=3.186 ppm2=4.288 assign ( resid 2061 and name HA ) ( resid 2064 and name HB# ) 2.0 0.5 0.5 volume=20358060.000 peak=651 ppm1=4.105 ppm2=1.563 assign ( resid 2093 and name HA2 ) ( resid 2093 and name HA3 ) 2.0 0.5 0.5 volume=21156354.000 peak=1100 ppm1=3.754 ppm2=4.474 assign ( resid 2133 and name HB3 ) ( resid 2133 and name H ) 2.5 0.8 0.8 volume=6067394.000 peak=1639 ppm1=3.285 ppm2=8.543 assign ( resid 2117 and name HG2# ) ( resid 2120 and name HB3 ) 2.6 0.9 0.9 volume=4436324.000 peak=505 ppm1=1.167 ppm2=3.203 assign ( resid 2110 and name HA ) ( resid 2110 and name H ) 2.7 0.9 0.9 volume=3871332.250 peak=1345 ppm1=4.528 ppm2=8.012 assign ( resid 2130 and name HG2 ) ( resid 2130 and name H ) 2.3 0.7 0.7 volume=9925288.000 peak=1586 ppm1=2.157 ppm2=7.896 assign ( resid 2078 and name HB3 ) ( resid 2072 and name HB# ) 3.0 1.1 1.1 volume=2111332.500 peak=1942 ppm1=3.254 ppm2=1.378 assign ( resid 2083 and name HA or resid 2094 and name HA ) ( resid 2083 and name HG13 or resid 2094 and name HG12 or resid 2098 and name HG2# ) 2.4 0.7 0.7 volume=8157944.500 peak=932 ppm1=4.014 ppm2=1.438 assign ( resid 2101 and name HA ) ( resid 2104 and name HD21 ) 2.9 1.0 1.0 volume=2774733.750 peak=1207 ppm1=4.137 ppm2=6.958 assign ( resid 2063 and name HA ) ( resid 2062 and name HG2# or resid 2063 and name HB3 ) 2.4 0.7 0.7 volume=7380176.000 peak=1834 ppm1=4.125 ppm2=1.298 assign ( resid 2074 and name HA ) ( resid 2074 and name H ) 2.3 0.7 0.7 volume=9892685.000 peak=808 ppm1=4.007 ppm2=7.910 assign ( resid 2133 and name H ) ( resid 2132 and name HB2 ) 2.6 0.9 0.9 volume=414868.562 peak=397 ppm1=8.535 ppm2=2.056 assign ( resid 2104 and name H ) ( resid 2104 and name HB2 ) 2.4 0.7 0.7 volume=674925.438 peak=267 ppm1=8.872 ppm2=3.086 assign ( resid 2108 and name HB3 or resid 2108 and name HB2 ) ( resid 2109 and name H ) 2.6 0.8 0.8 volume=5401799.000 peak=1324 ppm1=3.304 ppm2=8.262 assign ( resid 2134 and name HB ) ( resid 2134 and name H ) 2.2 0.6 0.6 volume=13938255.000 peak=1667 ppm1=4.249 ppm2=8.258 assign ( resid 2066 and name H ) ( resid 2065 and name H ) 2.7 0.9 0.9 volume=359544.531 peak=83 ppm1=7.754 ppm2=8.306 assign ( resid 2057 and name HA ) ( resid 2057 and name H ) 2.9 1.0 1.0 volume=2667714.250 peak=612 ppm1=4.078 ppm2=8.525 assign ( resid 2119 and name HG2# ) ( resid 2120 and name H or resid 2124 and name H ) 2.8 1.0 1.0 volume=2784559.000 peak=1431 ppm1=0.425 ppm2=7.504 assign ( resid 2076 and name HA2 or resid 2111 and name HA2 ) ( resid 2076 and name HA3 or resid 2111 and name HA3 ) 1.9 0.5 0.5 volume=28890456.000 peak=852 ppm1=4.119 ppm2=3.784 assign ( resid 2056 and name HD2 ) ( resid 2056 and name HG3 ) 2.5 0.8 0.8 volume=6557900.500 peak=603 ppm1=3.948 ppm2=2.288 assign ( resid 2075 and name HB2 ) ( resid 2075 and name HA ) 2.7 0.9 0.9 volume=3974654.500 peak=833 ppm1=1.364 ppm2=4.307 assign ( resid 2054 and name HB3 ) ( resid 2058 and name HB2 ) 2.7 0.9 0.9 volume=3619456.000 peak=1847 ppm1=1.554 ppm2=2.450 assign ( resid 2120 and name H ) ( resid 2120 and name HB2 ) 2.6 0.8 0.8 volume=489323.844 peak=248 ppm1=7.499 ppm2=2.984 assign ( resid 2072 and name H ) ( resid 2072 and name HA ) 2.5 0.8 0.8 volume=575086.062 peak=122 ppm1=8.379 ppm2=3.702 assign ( resid 2107 and name H ) ( resid 2106 and name HB2 ) 3.0 1.1 1.1 volume=192829.281 peak=296 ppm1=9.124 ppm2=1.090 assign ( resid 2090 and name H ) ( resid 2089 and name H ) 3.0 1.1 1.1 volume=191424.984 peak=438 ppm1=9.227 ppm2=8.662 assign ( resid 2072 and name HA ) ( resid 2072 and name HB# ) 2.1 0.5 0.5 volume=18665762.000 peak=798 ppm1=3.702 ppm2=1.393 assign ( resid 2138 and name H ) ( resid 2138 and name HG3 or resid 2138 and name HG2 ) 2.7 0.9 0.9 volume=349867.469 peak=421 ppm1=7.745 ppm2=2.407 assign ( resid 2094 and name HG2# ) ( resid 2099 and name HB# ) 1.9 0.5 0.5 volume=27329748.000 peak=513 ppm1=0.764 ppm2=1.265 assign ( resid 2132 and name HA ) ( resid 2132 and name HB3 or resid 2135 and name HG2 or resid 2135 and name HG3 ) 2.3 0.7 0.7 volume=9438429.000 peak=1623 ppm1=3.557 ppm2=1.201 assign ( resid 2056 and name HG2 or resid 2080 and name HG3 or resid 2115 and name HG3 or resid 2116 and name HG2 or resid 2116 and name HG3 ) ( resid 2056 and name HD2 or resid 2080 and name HD3 or resid 2115 and name HD2 or resid 2116 and name HD3 or resid 2116 and name HD2 ) 2.0 0.5 0.5 volume=24144040.000 peak=900 ppm1=2.130 ppm2=3.924 assign ( resid 2101 and name HB2 ) ( resid 2100 and name H ) 3.2 1.3 1.3 volume=1474784.500 peak=638 ppm1=2.100 ppm2=7.273 assign ( resid 2128 and name HD1# ) ( resid 2119 and name HD1# ) 2.1 0.6 0.6 volume=15374656.000 peak=1563 ppm1=1.006 ppm2=0.216 assign ( resid 2089 and name HD# ) ( resid 2092 and name HB3 or resid 2094 and name HG13 ) 2.9 1.0 1.0 volume=2621781.250 peak=1053 ppm1=7.151 ppm2=1.537 assign ( resid 2060 and name HB2 or resid 2115 and name HG3 or resid 2116 and name HG2 or resid 2116 and name HG3 ) ( resid 2117 and name HG2# or resid 2118 and name HD2# or resid 2129 and name HG2# ) 2.4 0.7 0.7 volume=7469871.500 peak=899 ppm1=2.127 ppm2=1.157 assign ( resid 2123 and name HD2 ) ( resid 2123 and name HG3 or resid 2123 and name HG2 ) 2.2 0.6 0.6 volume=12506572.000 peak=1484 ppm1=3.643 ppm2=2.021 assign ( resid 2119 and name HD1# ) ( resid 2089 and name HB2 or resid 2089 and name HB3 ) 3.1 1.2 1.2 volume=1842686.375 peak=1429 ppm1=0.221 ppm2=2.782 assign ( resid 2133 and name HD2 ) ( resid 2063 and name HD2# or resid 2137 and name HG2# ) 2.6 0.8 0.8 volume=4960385.000 peak=1652 ppm1=6.643 ppm2=0.971 assign ( resid 2050 and name HB3 ) ( resid 2050 and name HA ) 2.6 0.9 0.9 volume=4436134.000 peak=565 ppm1=1.830 ppm2=4.479 assign ( resid 2065 and name H ) ( resid 2064 and name HB# ) 2.4 0.7 0.7 volume=662911.938 peak=80 ppm1=8.302 ppm2=1.574 assign ( resid 2085 and name HD3 ) ( resid 2085 and name HG2 or resid 2085 and name HG3 ) 2.2 0.6 0.6 volume=11635565.000 peak=966 ppm1=4.064 ppm2=2.036 assign ( resid 2058 and name H ) ( resid 2059 and name H ) 2.7 0.9 0.9 volume=374175.688 peak=427 ppm1=7.930 ppm2=9.105 assign ( resid 2063 and name H ) ( resid 2064 and name H ) 2.8 0.9 0.9 volume=314991.188 peak=432 ppm1=7.940 ppm2=8.897 assign ( resid 2130 and name HA ) ( resid 2133 and name H ) 2.6 0.8 0.8 volume=5246756.500 peak=1224 ppm1=3.979 ppm2=8.564 assign ( resid 2105 and name H ) ( resid 2105 and name HA ) 2.5 0.8 0.8 volume=601070.375 peak=281 ppm1=8.584 ppm2=4.144 assign ( resid 2071 and name H ) ( resid 2070 and name HB# ) 2.5 0.8 0.8 volume=587391.312 peak=119 ppm1=8.201 ppm2=1.440 assign ( resid 2097 and name HB3 ) ( resid 2098 and name H ) 2.4 0.7 0.7 volume=7212743.500 peak=486 ppm1=2.022 ppm2=8.951 assign ( resid 2055 and name HB2 ) ( resid 2055 and name HB3 ) 2.4 0.7 0.7 volume=7364628.500 peak=578 ppm1=4.037 ppm2=4.430 assign ( resid 2102 and name HD1# ) ( resid 2074 and name H or resid 2103 and name H ) 3.1 1.2 1.2 volume=1717528.875 peak=1230 ppm1=0.507 ppm2=7.802 assign ( resid 2089 and name HD# ) ( resid 2071 and name HG2# or resid 2125 and name HG3 ) 2.6 0.8 0.8 volume=4935320.500 peak=1054 ppm1=7.152 ppm2=1.254 assign ( resid 2047 and name HB2 or resid 2047 and name HB3 ) ( resid 2112 and name HD1# ) 3.1 1.2 1.2 volume=1806837.750 peak=532 ppm1=3.811 ppm2=0.661 assign ( resid 2070 and name HB# ) ( resid 2071 and name H ) 2.2 0.6 0.6 volume=12062400.000 peak=771 ppm1=1.442 ppm2=8.205 assign ( resid 2071 and name HB ) ( resid 2068 and name H or resid 2070 and name H ) 3.3 1.4 1.4 volume=1136277.125 peak=786 ppm1=3.698 ppm2=8.577 assign ( resid 2117 and name HG2# ) ( resid 2117 and name H ) 2.3 0.6 0.6 volume=10907594.000 peak=479 ppm1=1.167 ppm2=6.743 assign ( resid 2090 and name H ) ( resid 2090 and name HB3 ) 2.3 0.7 0.7 volume=862047.438 peak=181 ppm1=9.224 ppm2=1.936 assign ( resid 2071 and name H ) ( resid 2083 and name HD1# or resid 2102 and name HD2# ) 2.6 0.9 0.9 volume=427403.906 peak=118 ppm1=8.201 ppm2=0.793 assign ( resid 2097 and name HD1# ) ( resid 2098 and name H ) 3.1 1.2 1.2 volume=1811313.125 peak=1153 ppm1=0.942 ppm2=8.965 assign ( resid 2081 and name HG2 or resid 2081 and name HG3 ) ( resid 2081 and name HA ) 2.1 0.6 0.6 volume=15865314.000 peak=903 ppm1=2.314 ppm2=4.127 assign ( resid 2075 and name HD2# or resid 2102 and name HD2# ) ( resid 2067 and name HG2# or resid 2074 and name HG2# or resid 2128 and name HD1# ) 1.8 0.4 0.4 volume=42345764.000 peak=848 ppm1=0.796 ppm2=1.057 assign ( resid 2065 and name HG2# or resid 2073 and name HG2# or resid 2105 and name HG2# or resid 2107 and name HG2# ) ( resid 2065 and name HB or resid 2073 and name HB or resid 2105 and name HB or resid 2107 and name HB ) 1.7 0.4 0.4 volume=65701812.000 peak=670 ppm1=1.321 ppm2=4.333 assign ( resid 2090 and name HE3 or resid 2090 and name HE2 ) ( resid 2091 and name H ) 3.3 1.4 1.4 volume=1159505.250 peak=1072 ppm1=3.031 ppm2=7.198 assign ( resid 2086 and name HA ) ( resid 2086 and name HB# ) 1.8 0.4 0.4 volume=38619388.000 peak=983 ppm1=4.451 ppm2=1.329 assign ( resid 2101 and name HG3 ) ( resid 2100 and name HD2# ) 2.4 0.7 0.7 volume=8280419.000 peak=1214 ppm1=2.266 ppm2=1.004 assign ( resid 2098 and name HB ) ( resid 2075 and name HD2# or resid 2094 and name HD1# ) 2.2 0.6 0.6 volume=13239655.000 peak=1169 ppm1=4.204 ppm2=0.754 assign ( resid 2119 and name HG2# ) ( resid 2089 and name HB2 or resid 2089 and name HB3 ) 2.5 0.8 0.8 volume=5571489.000 peak=1422 ppm1=0.425 ppm2=2.779 assign ( resid 2072 and name HB# ) ( resid 2078 and name HB2 ) 2.5 0.8 0.8 volume=5839834.500 peak=797 ppm1=1.398 ppm2=3.098 assign ( resid 2082 and name HA ) ( resid 2082 and name HB2 ) 2.2 0.6 0.6 volume=12932839.000 peak=916 ppm1=4.429 ppm2=3.975 assign ( resid 2135 and name H ) ( resid 2136 and name H ) 2.4 0.7 0.7 volume=657509.062 peak=408 ppm1=7.919 ppm2=8.195 assign ( resid 2103 and name HA ) ( resid 2103 and name H ) 2.6 0.8 0.8 volume=4761975.500 peak=1269 ppm1=3.715 ppm2=7.818 assign ( resid 2135 and name HB2 or resid 2135 and name HB3 ) ( resid 2135 and name HG2 or resid 2135 and name HG3 ) 2.3 0.7 0.7 volume=9814351.000 peak=1686 ppm1=1.660 ppm2=1.178 assign ( resid 2120 and name H ) ( resid 2121 and name H ) 2.5 0.8 0.8 volume=505388.719 peak=253 ppm1=7.499 ppm2=8.012 assign ( resid 2097 and name HB2 ) ( resid 2097 and name H ) 2.4 0.7 0.7 volume=7924941.000 peak=485 ppm1=1.758 ppm2=8.226 assign ( resid 2099 and name HB# ) ( resid 2100 and name H or resid 2120 and name HE# or resid 2120 and name HD# ) 2.2 0.6 0.6 volume=12856324.000 peak=1178 ppm1=1.280 ppm2=7.275 assign ( resid 2067 and name HG2# ) ( resid 2067 and name HB or resid 2128 and name HB3 ) 1.9 0.5 0.5 volume=30112166.000 peak=719 ppm1=1.127 ppm2=2.254 assign ( resid 2132 and name HG ) ( resid 2132 and name HA ) 2.7 0.9 0.9 volume=3930497.750 peak=1627 ppm1=2.103 ppm2=3.549 assign ( resid 2094 and name HD1# ) ( resid 2102 and name HD1# ) 2.1 0.6 0.6 volume=15471413.000 peak=1134 ppm1=0.739 ppm2=0.489 assign ( resid 2108 and name HA ) ( resid 2108 and name H ) 2.4 0.7 0.7 volume=7931418.000 peak=1322 ppm1=4.383 ppm2=7.957 assign ( resid 2135 and name H ) ( resid 2135 and name HB3 ) 2.4 0.7 0.7 volume=795922.250 peak=410 ppm1=7.916 ppm2=1.670 assign ( resid 2102 and name HB2 ) ( resid 2099 and name HA ) 2.7 0.9 0.9 volume=3796074.500 peak=1239 ppm1=1.852 ppm2=3.740 assign ( resid 2061 and name HB2 ) ( resid 2062 and name H ) 2.6 0.9 0.9 volume=4423405.500 peak=1810 ppm1=2.197 ppm2=8.386 assign ( resid 2083 and name H ) ( resid 2083 and name HA ) 2.4 0.8 0.8 volume=630467.188 peak=156 ppm1=7.604 ppm2=4.030 assign ( resid 2089 and name HZ ) ( resid 2089 and name HD# ) 2.9 1.1 1.1 volume=2456771.000 peak=1028 ppm1=6.912 ppm2=7.146 assign ( resid 2110 and name H ) ( resid 2109 and name HB3 ) 2.9 1.1 1.1 volume=219552.703 peak=319 ppm1=8.019 ppm2=2.689
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