NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
557085 | 2lqg | 18313 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 784} (( segid " " and resid 1042 and name HB3 )) (( segid " " and resid 1039 and name HA )) 2.900 1.100 1.100 peak 784 spectrum 1 weight 0.10000E+01 volume 0.15584E-02 ppm1 2.199 ppm2 3.945 CV 1 ASSI { 3363} (( segid " " and resid 990 and name HB2 )) ( segid " " and resid 1034 and name HD1%) 4.100 2.100 1.900 peak 3363 spectrum 1 weight 0.10000E+01 volume 0.95388E-03 ppm1 4.131 ppm2 0.825 CV 1 ASSI { 3278} (( segid " " and resid 963 and name HA )) ( segid " " and resid 966 and name HD1%) 3.500 1.500 1.500 peak 3278 spectrum 1 weight 0.10000E+01 volume 0.75574E-03 ppm1 3.695 ppm2 -0.049 CV 1 ASSI { 3197} (( segid " " and resid 1036 and name HA )) (( segid " " and resid 1036 and name H )) 2.500 0.800 0.800 peak 3197 spectrum 1 weight 0.10000E+01 volume 0.43663E-02 ppm1 3.922 ppm2 7.943 CV 1 ASSI { 3162} (( segid " " and resid 927 and name HB3 )) ( segid " " and resid 924 and name HB% ) 4.200 2.200 1.800 peak 3162 spectrum 1 weight 0.10000E+01 volume 0.55083E-03 ppm1 3.760 ppm2 1.268 CV 1 ASSI { 1005} (( segid " " and resid 964 and name HB3 )) ( segid " " and resid 963 and name HG2%) 3.600 1.600 1.600 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.10613E-02 ppm1 2.274 ppm2 0.842 CV 1 ASSI { 282} ( segid " " and resid 994 and name HD2%) (( segid " " and resid 1035 and name H )) 2.700 0.900 0.900 peak 282 spectrum 1 weight 0.10000E+01 volume 0.36341E-02 ppm1 0.918 ppm2 8.523 CV 1 ASSI { 248} ( segid " " and resid 1038 and name HB% ) ( segid " " and resid 917 and name HD2%) 2.500 0.800 0.800 peak 248 spectrum 1 weight 0.10000E+01 volume 0.70300E-02 ppm1 1.396 ppm2 0.853 CV 1 ASSI { 3307} (( segid " " and resid 996 and name HG2 )) (( segid " " and resid 996 and name HA )) 3.600 1.600 1.600 peak 3307 spectrum 1 weight 0.10000E+01 volume 0.15551E-02 ppm1 1.924 ppm2 4.169 CV 1 ASSI { 1821} (( segid " " and resid 983 and name HG2 )) (( segid " " and resid 983 and name HB3 )) 2.800 1.000 1.000 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.18976E-02 ppm1 2.708 ppm2 1.955 CV 1 ASSI { 1289} (( segid " " and resid 948 and name HA )) (( segid " " and resid 948 and name HB3 )) 2.500 0.800 0.800 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.34057E-02 ppm1 4.400 ppm2 1.860 CV 1 ASSI { 1683} (( segid " " and resid 994 and name HB2 )) ( segid " " and resid 994 and name HD1%) 2.500 0.800 0.800 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.47391E-02 ppm1 1.449 ppm2 0.925 CV 1 OR { 1683} (( segid " " and resid 994 and name HB2 )) ( segid " " and resid 994 and name HD2%) ASSI { 2852} (( segid " " and resid 951 and name HA )) (( segid " " and resid 951 and name HB3 )) 2.600 0.800 0.800 peak 2852 spectrum 1 weight 0.10000E+01 volume 0.45510E-02 ppm1 4.083 ppm2 1.530 CV 1 OR { 2852} (( segid " " and resid 951 and name HA )) (( segid " " and resid 951 and name HG )) ASSI { 3415} ( segid " " and resid 908 and name HD1%) (( segid " " and resid 908 and name HG12)) 2.600 0.900 0.900 peak 3415 spectrum 1 weight 0.10000E+01 volume 0.38289E-02 ppm1 0.765 ppm2 1.347 CV 1 ASSI { 270} (( segid " " and resid 962 and name HB3 )) ( segid " " and resid 993 and name HD% ) 2.700 0.900 0.900 peak 270 spectrum 1 weight 0.10000E+01 volume 0.12730E-02 ppm1 2.086 ppm2 6.993 CV 1 ASSI { 2031} (( segid " " and resid 963 and name HB )) (( segid " " and resid 963 and name HG13)) 2.900 1.000 1.000 peak 2031 spectrum 1 weight 0.10000E+01 volume 0.10613E-02 ppm1 1.992 ppm2 2.193 CV 1 ASSI { 1154} ( segid " " and resid 970 and name HG2%) (( segid " " and resid 922 and name HG2 )) 2.900 1.000 1.000 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.21327E-02 ppm1 0.916 ppm2 1.314 CV 1 ASSI { 1404} (( segid " " and resid 966 and name HB2 )) ( segid " " and resid 993 and name HD% ) 3.600 1.600 1.600 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.72883E-03 ppm1 1.330 ppm2 6.994 CV 1 ASSI { 2945} ( segid " " and resid 1044 and name HB% ) (( segid " " and resid 1044 and name H )) 2.100 0.600 0.600 peak 2945 spectrum 1 weight 0.10000E+01 volume 0.14134E-01 ppm1 1.308 ppm2 7.312 CV 1 ASSI { 916} (( segid " " and resid 962 and name HG2 )) (( segid " " and resid 962 and name HA )) 2.800 1.000 1.000 peak 916 spectrum 1 weight 0.10000E+01 volume 0.21260E-02 ppm1 2.481 ppm2 4.365 CV 1 ASSI { 757} (( segid " " and resid 1025 and name HA )) (( segid " " and resid 1025 and name HB3 )) 2.300 0.700 0.700 peak 757 spectrum 1 weight 0.10000E+01 volume 0.74796E-02 ppm1 4.011 ppm2 1.905 CV 1 OR { 757} (( segid " " and resid 1025 and name HA )) (( segid " " and resid 1025 and name HB2 )) ASSI { 1808} ( segid " " and resid 986 and name HD1%) (( segid " " and resid 986 and name HG )) 2.300 0.700 0.700 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.65027E-02 ppm1 0.858 ppm2 1.290 CV 1 ASSI { 2465} ( segid " " and resid 921 and name HB% ) (( segid " " and resid 924 and name H )) 4.100 2.100 1.900 peak 2465 spectrum 1 weight 0.10000E+01 volume 0.61798E-03 ppm1 1.172 ppm2 8.224 CV 1 ASSI { 1742} ( segid " " and resid 1027 and name HD2%) (( segid " " and resid 1001 and name HB )) 3.600 1.700 1.700 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.18742E-02 ppm1 0.821 ppm2 2.171 CV 1 ASSI { 1817} ( segid " " and resid 932 and name HD1%) (( segid " " and resid 956 and name HB3 )) 3.600 1.600 1.600 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.12461E-02 ppm1 0.828 ppm2 2.707 CV 1 ASSI { 1667} ( segid " " and resid 1020 and name HD2%) (( segid " " and resid 931 and name HB )) 3.800 1.800 1.800 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.96392E-03 ppm1 0.797 ppm2 4.222 CV 1 ASSI { 2393} (( segid " " and resid 918 and name HA )) (( segid " " and resid 918 and name HB3 )) 2.700 0.900 0.900 peak 2393 spectrum 1 weight 0.10000E+01 volume 0.23679E-02 ppm1 3.644 ppm2 1.705 CV 1 ASSI { 867} (( segid " " and resid 912 and name HB )) (( segid " " and resid 913 and name H )) 2.600 0.800 0.800 peak 867 spectrum 1 weight 0.10000E+01 volume 0.30363E-02 ppm1 4.504 ppm2 8.211 CV 1 ASSI { 1232} ( segid " " and resid 1029 and name HG2%) (( segid " " and resid 1033 and name HG2 )) 2.800 1.000 1.000 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.30430E-02 ppm1 1.237 ppm2 2.345 CV 1 OR { 1232} ( segid " " and resid 1029 and name HG2%) (( segid " " and resid 1033 and name HG3 )) ASSI { 568} (( segid " " and resid 909 and name HB3 )) (( segid " " and resid 910 and name HD3 )) 4.100 2.100 1.900 peak 568 spectrum 1 weight 0.10000E+01 volume 0.10513E-02 ppm1 2.493 ppm2 3.687 CV 1 ASSI { 3138} ( segid " " and resid 987 and name HG2%) (( segid " " and resid 991 and name H )) 3.200 1.300 1.300 peak 3138 spectrum 1 weight 0.10000E+01 volume 0.18843E-02 ppm1 0.802 ppm2 8.257 CV 1 ASSI { 2695} (( segid " " and resid 1007 and name HA )) (( segid " " and resid 1007 and name HB3 )) 2.900 1.000 1.000 peak 2695 spectrum 1 weight 0.10000E+01 volume 0.21395E-02 ppm1 4.302 ppm2 3.896 CV 1 ASSI { 2562} (( segid " " and resid 984 and name HB2 )) (( segid " " and resid 984 and name HB3 )) 1.900 0.400 0.400 peak 2562 spectrum 1 weight 0.10000E+01 volume 0.95220E-02 ppm1 1.773 ppm2 1.562 CV 1 ASSI { 3446} (( segid " " and resid 953 and name HA )) (( segid " " and resid 956 and name H )) 3.100 1.200 1.200 peak 3446 spectrum 1 weight 0.10000E+01 volume 0.14107E-02 ppm1 3.550 ppm2 8.025 CV 1 ASSI { 2543} (( segid " " and resid 927 and name HB2 )) (( segid " " and resid 926 and name H )) 4.400 2.400 1.600 peak 2543 spectrum 1 weight 0.10000E+01 volume 0.65493E-03 ppm1 3.872 ppm2 7.899 CV 1 ASSI { 813} (( segid " " and resid 1042 and name HA )) (( segid " " and resid 1042 and name HB3 )) 2.800 1.000 1.000 peak 813 spectrum 1 weight 0.10000E+01 volume 0.40035E-02 ppm1 4.111 ppm2 2.196 CV 1 ASSI { 3157} (( segid " " and resid 1028 and name HA3 )) (( segid " " and resid 1029 and name H )) 2.900 1.000 1.000 peak 3157 spectrum 1 weight 0.10000E+01 volume 0.16424E-02 ppm1 4.083 ppm2 8.078 CV 1 ASSI { 1703} (( segid " " and resid 916 and name HD2 )) (( segid " " and resid 916 and name HG2 )) 2.800 1.000 1.000 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.20958E-02 ppm1 3.131 ppm2 1.729 CV 1 ASSI { 1577} (( segid " " and resid 910 and name HA )) (( segid " " and resid 910 and name HB2 )) 2.400 0.700 0.700 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.10207E-01 ppm1 4.218 ppm2 2.105 CV 1 ASSI { 1472} ( segid " " and resid 963 and name HG2%) ( segid " " and resid 963 and name HD1%) 1.800 0.400 0.400 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.25153E-01 ppm1 0.847 ppm2 0.928 CV 1 OR { 1472} ( segid " " and resid 963 and name HG2%) (( segid " " and resid 963 and name HG12)) ASSI { 1675} (( segid " " and resid 974 and name HG3 )) (( segid " " and resid 974 and name HG2 )) 1.900 0.400 0.400 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.10324E-01 ppm1 2.270 ppm2 2.488 CV 1 ASSI { 2973} (( segid " " and resid 992 and name HB2 )) ( segid " " and resid 989 and name HB% ) 3.000 3.000 3.000 peak 2973 spectrum 1 weight 0.10000E+01 volume 0.85313E-03 ppm1 4.020 ppm2 1.405 CV 1 ASSI { 1544} (( segid " " and resid 987 and name HG13)) ( segid " " and resid 1041 and name HB% ) 3.700 1.700 1.700 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.10177E-02 ppm1 0.709 ppm2 1.304 CV 1 ASSI { 1990} (( segid " " and resid 945 and name HA )) (( segid " " and resid 945 and name HB2 )) 2.500 0.800 0.800 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.48835E-02 ppm1 4.350 ppm2 3.797 CV 1 ASSI { 213} (( segid " " and resid 969 and name HA2 )) (( segid " " and resid 986 and name HA )) 4.100 2.100 1.900 peak 213 spectrum 1 weight 0.10000E+01 volume 0.88667E-03 ppm1 3.798 ppm2 4.041 CV 1 ASSI { 1801} ( segid " " and resid 921 and name HB% ) (( segid " " and resid 921 and name H )) 2.300 0.600 0.600 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.79938E-02 ppm1 1.170 ppm2 9.024 CV 1 ASSI { 2095} (( segid " " and resid 993 and name HB3 )) (( segid " " and resid 993 and name HB2 )) 2.000 0.500 0.500 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.54377E-02 ppm1 2.961 ppm2 3.382 CV 1 ASSI { 2538} (( segid " " and resid 956 and name HA )) (( segid " " and resid 956 and name HB3 )) 2.800 1.000 1.000 peak 2538 spectrum 1 weight 0.10000E+01 volume 0.26198E-02 ppm1 4.230 ppm2 2.705 CV 1 ASSI { 2328} (( segid " " and resid 1033 and name HA )) (( segid " " and resid 1033 and name H )) 2.500 0.800 0.800 peak 2328 spectrum 1 weight 0.10000E+01 volume 0.40203E-02 ppm1 4.167 ppm2 7.834 CV 1 ASSI { 2527} (( segid " " and resid 993 and name HB3 )) (( segid " " and resid 990 and name HA )) 3.100 1.200 1.200 peak 2527 spectrum 1 weight 0.10000E+01 volume 0.79603E-03 ppm1 2.965 ppm2 3.959 CV 1 ASSI { 1379} ( segid " " and resid 994 and name HD2%) (( segid " " and resid 1032 and name HA )) 3.500 1.600 1.600 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.10311E-02 ppm1 0.917 ppm2 4.138 CV 1 ASSI { 155} ( segid " " and resid 959 and name HG1%) (( segid " " and resid 962 and name HG2 )) 4.200 2.200 1.800 peak 155 spectrum 1 weight 0.10000E+01 volume 0.64489E-03 ppm1 0.845 ppm2 2.473 CV 1 ASSI { 1274} ( segid " " and resid 1034 and name HD2%) (( segid " " and resid 1034 and name HG )) 2.200 0.600 0.600 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.75472E-02 ppm1 0.895 ppm2 1.460 CV 1 ASSI { 1612} (( segid " " and resid 967 and name HA )) (( segid " " and resid 970 and name H )) 3.000 1.100 1.100 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.20118E-02 ppm1 3.276 ppm2 8.053 CV 1 ASSI { 2240} (( segid " " and resid 912 and name HA )) (( segid " " and resid 915 and name HB2 )) 3.900 1.900 1.900 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.66503E-03 ppm1 4.192 ppm2 2.098 CV 1 ASSI { 2406} (( segid " " and resid 920 and name HA )) (( segid " " and resid 923 and name H )) 3.800 1.800 1.800 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.15685E-02 ppm1 4.021 ppm2 8.120 CV 1 ASSI { 2224} ( segid " " and resid 914 and name HG1%) ( segid " " and resid 1041 and name HB% ) 2.800 1.000 1.000 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.30531E-02 ppm1 0.903 ppm2 1.305 CV 1 ASSI { 1588} (( segid " " and resid 908 and name HA )) (( segid " " and resid 908 and name HG13)) 3.100 1.200 1.200 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.16995E-02 ppm1 4.117 ppm2 1.089 CV 1 ASSI { 2573} (( segid " " and resid 926 and name HA )) ( segid " " and resid 925 and name HB% ) 3.000 1.100 1.100 peak 2573 spectrum 1 weight 0.10000E+01 volume 0.24787E-02 ppm1 4.092 ppm2 1.227 CV 1 ASSI { 1609} ( segid " " and resid 970 and name HG2%) (( segid " " and resid 918 and name HG3 )) 4.100 2.100 1.900 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.88333E-03 ppm1 0.919 ppm2 2.445 CV 1 ASSI { 2898} ( segid " " and resid 966 and name HD2%) ( segid " " and resid 921 and name HB% ) 2.400 0.700 0.700 peak 2898 spectrum 1 weight 0.10000E+01 volume 0.69224E-02 ppm1 0.490 ppm2 1.169 CV 1 ASSI { 2923} (( segid " " and resid 1036 and name HB )) ( segid " " and resid 1037 and name HB% ) 4.000 2.000 2.000 peak 2923 spectrum 1 weight 0.10000E+01 volume 0.63813E-03 ppm1 4.088 ppm2 1.321 CV 1 ASSI { 2026} ( segid " " and resid 967 and name HG2%) ( segid " " and resid 925 and name HB% ) 2.200 0.600 0.600 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.93743E-02 ppm1 0.846 ppm2 1.230 CV 1 ASSI { 2686} ( segid " " and resid 1031 and name HD1%) (( segid " " and resid 998 and name HA3 )) 3.400 1.500 1.500 peak 2686 spectrum 1 weight 0.10000E+01 volume 0.16323E-02 ppm1 0.702 ppm2 3.649 CV 1 ASSI { 1499} ( segid " " and resid 912 and name HG2%) (( segid " " and resid 914 and name H )) 3.900 1.900 1.900 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.95722E-03 ppm1 1.227 ppm2 7.998 CV 1 ASSI { 1761} (( segid " " and resid 1001 and name HA )) ( segid " " and resid 1027 and name HD2%) 3.400 1.400 1.400 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.89678E-03 ppm1 3.278 ppm2 0.815 CV 1 ASSI { 1031} ( segid " " and resid 953 and name HG2%) (( segid " " and resid 956 and name HB3 )) 4.300 2.300 1.700 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.50380E-03 ppm1 0.961 ppm2 2.728 CV 1 ASSI { 1768} (( segid " " and resid 913 and name HB3 )) (( segid " " and resid 913 and name H )) 4.100 2.100 1.900 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.79262E-03 ppm1 1.262 ppm2 8.209 CV 1 ASSI { 2743} ( segid " " and resid 932 and name HG2%) (( segid " " and resid 932 and name H )) 3.400 1.500 1.500 peak 2743 spectrum 1 weight 0.10000E+01 volume 0.31236E-02 ppm1 0.850 ppm2 8.383 CV 1 ASSI { 2715} ( segid " " and resid 1001 and name HG2%) (( segid " " and resid 1027 and name H )) 3.800 1.800 1.800 peak 2715 spectrum 1 weight 0.10000E+01 volume 0.14610E-02 ppm1 1.022 ppm2 8.799 CV 1 ASSI { 390} (( segid " " and resid 984 and name HB2 )) ( segid " " and resid 984 and name HD2%) 2.600 0.800 0.800 peak 390 spectrum 1 weight 0.10000E+01 volume 0.53303E-02 ppm1 1.772 ppm2 0.844 CV 1 OR { 390} (( segid " " and resid 984 and name HB2 )) ( segid " " and resid 984 and name HD1%) ASSI { 207} (( segid " " and resid 1018 and name HG3 )) (( segid " " and resid 1018 and name HA )) 3.400 1.500 1.500 peak 207 spectrum 1 weight 0.10000E+01 volume 0.18976E-02 ppm1 2.576 ppm2 4.186 CV 1 ASSI { 2360} (( segid " " and resid 916 and name HD2 )) (( segid " " and resid 916 and name HG3 )) 2.900 1.000 1.000 peak 2360 spectrum 1 weight 0.10000E+01 volume 0.21563E-02 ppm1 3.132 ppm2 1.549 CV 1 ASSI { 3496} (( segid " " and resid 962 and name HA )) ( segid " " and resid 993 and name HD% ) 4.500 2.500 1.500 peak 3496 spectrum 1 weight 0.10000E+01 volume 0.61463E-03 ppm1 4.365 ppm2 6.988 CV 1 ASSI { 2691} (( segid " " and resid 1002 and name HA )) (( segid " " and resid 1005 and name HD2 )) 3.100 1.200 1.200 peak 2691 spectrum 1 weight 0.10000E+01 volume 0.16021E-02 ppm1 3.989 ppm2 1.593 CV 1 OR { 2691} (( segid " " and resid 1002 and name HA )) (( segid " " and resid 1005 and name HD3 )) ASSI { 260} (( segid " " and resid 1031 and name HB3 )) (( segid " " and resid 1031 and name HA )) 2.800 1.000 1.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.12897E-02 ppm1 1.465 ppm2 4.042 CV 1 ASSI { 1905} ( segid " " and resid 959 and name HG2%) (( segid " " and resid 1000 and name HG3 )) 3.300 1.400 1.400 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.16995E-02 ppm1 0.750 ppm2 2.174 CV 1 ASSI { 1393} (( segid " " and resid 1024 and name HA )) (( segid " " and resid 1027 and name HB2 )) 3.200 1.300 1.300 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.25425E-02 ppm1 3.919 ppm2 1.893 CV 1 ASSI { 430} (( segid " " and resid 1005 and name HD2 )) (( segid " " and resid 1005 and name H )) 4.000 2.000 2.000 peak 430 spectrum 1 weight 0.10000E+01 volume 0.11520E-02 ppm1 1.588 ppm2 8.229 CV 1 OR { 430} (( segid " " and resid 1005 and name HD3 )) (( segid " " and resid 1005 and name H )) ASSI { 3108} ( segid " " and resid 1011 and name HG2%) (( segid " " and resid 1016 and name HB3 )) 2.900 1.000 1.000 peak 3108 spectrum 1 weight 0.10000E+01 volume 0.24653E-02 ppm1 0.950 ppm2 3.726 CV 1 ASSI { 747} (( segid " " and resid 977 and name HB2 )) (( segid " " and resid 977 and name HD3 )) 4.200 2.200 1.800 peak 747 spectrum 1 weight 0.10000E+01 volume 0.86987E-03 ppm1 2.272 ppm2 3.532 CV 1 ASSI { 1270} ( segid " " and resid 914 and name HG1%) (( segid " " and resid 917 and name H )) 4.100 2.100 1.900 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.70868E-03 ppm1 0.903 ppm2 7.589 CV 1 ASSI { 1694} (( segid " " and resid 979 and name HB3 )) (( segid " " and resid 979 and name HB2 )) 2.100 0.500 0.500 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.52295E-02 ppm1 3.854 ppm2 4.089 CV 1 ASSI { 1508} (( segid " " and resid 942 and name HA )) (( segid " " and resid 942 and name HD3 )) 3.400 1.400 1.400 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.10916E-02 ppm1 4.349 ppm2 3.557 CV 1 ASSI { 996} (( segid " " and resid 1009 and name HD3 )) ( segid " " and resid 1008 and name HG2%) 3.800 1.800 1.800 peak 996 spectrum 1 weight 0.10000E+01 volume 0.18910E-02 ppm1 3.578 ppm2 1.102 CV 1 OR { 996} (( segid " " and resid 1009 and name HD2 )) ( segid " " and resid 1008 and name HG2%) ASSI { 3262} ( segid " " and resid 959 and name HG2%) ( segid " " and resid 928 and name HB% ) 3.700 1.700 1.700 peak 3262 spectrum 1 weight 0.10000E+01 volume 0.14308E-02 ppm1 0.751 ppm2 1.648 CV 1 ASSI { 2235} (( segid " " and resid 911 and name HB3 )) (( segid " " and resid 911 and name H )) 3.100 1.200 1.200 peak 2235 spectrum 1 weight 0.10000E+01 volume 0.41043E-02 ppm1 2.980 ppm2 8.107 CV 1 ASSI { 3124} (( segid " " and resid 1025 and name HB2 )) (( segid " " and resid 1025 and name H )) 2.400 0.700 0.700 peak 3124 spectrum 1 weight 0.10000E+01 volume 0.53235E-02 ppm1 1.904 ppm2 7.950 CV 1 OR { 3124} (( segid " " and resid 1025 and name HB3 )) (( segid " " and resid 1025 and name H )) ASSI { 321} (( segid " " and resid 967 and name HA )) (( segid " " and resid 970 and name HB )) 2.600 0.800 0.800 peak 321 spectrum 1 weight 0.10000E+01 volume 0.31471E-02 ppm1 3.276 ppm2 2.185 CV 1 ASSI { 2487} ( segid " " and resid 963 and name HD1%) (( segid " " and resid 959 and name HB )) 3.800 1.800 1.800 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.70868E-03 ppm1 0.935 ppm2 2.066 CV 1 ASSI { 491} (( segid " " and resid 980 and name HD2 )) (( segid " " and resid 980 and name HD3 )) 1.900 0.400 0.400 peak 491 spectrum 1 weight 0.10000E+01 volume 0.97534E-02 ppm1 4.238 ppm2 3.987 CV 1 ASSI { 3482} ( segid " " and resid 1037 and name HB% ) (( segid " " and resid 916 and name HB3 )) 2.900 1.100 1.100 peak 3482 spectrum 1 weight 0.10000E+01 volume 0.22268E-02 ppm1 1.321 ppm2 1.841 CV 1 OR { 3482} ( segid " " and resid 1037 and name HB% ) (( segid " " and resid 916 and name HB2 )) ASSI { 306} (( segid " " and resid 916 and name HD2 )) (( segid " " and resid 916 and name HD3 )) 1.800 0.400 0.400 peak 306 spectrum 1 weight 0.10000E+01 volume 0.12397E-01 ppm1 3.134 ppm2 3.049 CV 1 ASSI { 1312} (( segid " " and resid 920 and name HA )) (( segid " " and resid 921 and name H )) 3.300 1.300 1.300 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.10009E-02 ppm1 4.019 ppm2 9.022 CV 1 ASSI { 386} ( segid " " and resid 966 and name HD2%) (( segid " " and resid 990 and name HA )) 2.400 0.700 0.700 peak 386 spectrum 1 weight 0.10000E+01 volume 0.55452E-02 ppm1 0.490 ppm2 3.967 CV 1 ASSI { 2909} (( segid " " and resid 937 and name HA )) (( segid " " and resid 938 and name H )) 3.100 1.200 1.200 peak 2909 spectrum 1 weight 0.10000E+01 volume 0.19111E-02 ppm1 4.340 ppm2 7.812 CV 1 ASSI { 3096} (( segid " " and resid 970 and name HA )) ( segid " " and resid 986 and name HD1%) 3.000 1.100 1.100 peak 3096 spectrum 1 weight 0.10000E+01 volume 0.16659E-02 ppm1 3.437 ppm2 0.856 CV 1 ASSI { 1968} ( segid " " and resid 966 and name HD1%) ( segid " " and resid 993 and name HE% ) 2.900 1.100 1.100 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.20353E-02 ppm1 -0.045 ppm2 6.923 CV 1 ASSI { 2356} (( segid " " and resid 913 and name HB3 )) (( segid " " and resid 914 and name H )) 3.900 1.900 1.900 peak 2356 spectrum 1 weight 0.10000E+01 volume 0.67173E-03 ppm1 1.254 ppm2 7.993 CV 1 ASSI { 3079} (( segid " " and resid 980 and name HG2 )) (( segid " " and resid 980 and name HD2 )) 2.300 0.600 0.600 peak 3079 spectrum 1 weight 0.10000E+01 volume 0.50884E-02 ppm1 1.987 ppm2 4.246 CV 1 ASSI { 766} (( segid " " and resid 911 and name HB2 )) ( segid " " and resid 911 and name HD% ) 3.100 1.200 1.200 peak 766 spectrum 1 weight 0.10000E+01 volume 0.13233E-02 ppm1 3.134 ppm2 7.175 CV 1 ASSI { 1426} (( segid " " and resid 939 and name HA )) ( segid " " and resid 939 and name HB% ) 2.200 0.600 0.600 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.11984E-01 ppm1 4.174 ppm2 1.324 CV 1 ASSI { 2498} (( segid " " and resid 1035 and name HA )) (( segid " " and resid 1035 and name HD2 )) 4.300 2.300 1.700 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.75574E-03 ppm1 3.806 ppm2 3.227 CV 1 ASSI { 1334} (( segid " " and resid 992 and name HB2 )) (( segid " " and resid 992 and name H )) 2.500 0.800 0.800 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.52429E-02 ppm1 4.018 ppm2 8.326 CV 1 ASSI { 426} (( segid " " and resid 1018 and name HA )) (( segid " " and resid 1018 and name HB3 )) 2.500 0.800 0.800 peak 426 spectrum 1 weight 0.10000E+01 volume 0.41144E-02 ppm1 4.187 ppm2 2.093 CV 1 ASSI { 642} (( segid " " and resid 1031 and name HA )) (( segid " " and resid 1031 and name H )) 2.800 1.000 1.000 peak 642 spectrum 1 weight 0.10000E+01 volume 0.19950E-02 ppm1 4.041 ppm2 9.205 CV 1 ASSI { 2043} (( segid " " and resid 969 and name HA3 )) (( segid " " and resid 968 and name H )) 4.700 2.700 1.300 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.54747E-03 ppm1 3.320 ppm2 8.198 CV 1 ASSI { 865} ( segid " " and resid 1031 and name HD2%) (( segid " " and resid 994 and name HA )) 2.400 0.700 0.700 peak 865 spectrum 1 weight 0.10000E+01 volume 0.52161E-02 ppm1 0.943 ppm2 3.816 CV 1 ASSI { 1716} ( segid " " and resid 967 and name HG1%) (( segid " " and resid 970 and name H )) 4.000 2.000 2.000 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.63143E-03 ppm1 0.794 ppm2 8.049 CV 1 ASSI { 2818} ( segid " " and resid 965 and name HD2%) (( segid " " and resid 965 and name HG )) 2.100 0.500 0.500 peak 2818 spectrum 1 weight 0.10000E+01 volume 0.14022E-01 ppm1 0.835 ppm2 1.724 CV 1 ASSI { 1964} (( segid " " and resid 1035 and name HA )) ( segid " " and resid 994 and name HD1%) 2.300 0.600 0.600 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.61936E-02 ppm1 3.803 ppm2 0.925 CV 1 ASSI { 1579} (( segid " " and resid 923 and name HG3 )) (( segid " " and resid 923 and name H )) 3.300 1.400 1.400 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.30262E-02 ppm1 2.132 ppm2 8.120 CV 1 ASSI { 330} (( segid " " and resid 969 and name HA3 )) (( segid " " and resid 969 and name H )) 2.400 0.700 0.700 peak 330 spectrum 1 weight 0.10000E+01 volume 0.47458E-02 ppm1 3.325 ppm2 7.984 CV 1 ASSI { 2486} ( segid " " and resid 967 and name HG1%) (( segid " " and resid 968 and name HA )) 3.000 1.100 1.100 peak 2486 spectrum 1 weight 0.10000E+01 volume 0.20521E-02 ppm1 0.793 ppm2 3.956 CV 1 ASSI { 1789} (( segid " " and resid 936 and name HG2 )) (( segid " " and resid 936 and name H )) 3.100 1.200 1.200 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.29557E-02 ppm1 2.541 ppm2 8.464 CV 1 ASSI { 1489} ( segid " " and resid 982 and name HB% ) (( segid " " and resid 983 and name HG2 )) 3.700 1.700 1.700 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.92027E-03 ppm1 1.454 ppm2 2.701 CV 1 ASSI { 428} (( segid " " and resid 954 and name HG3 )) (( segid " " and resid 954 and name HE21)) 3.000 1.100 1.100 peak 428 spectrum 1 weight 0.10000E+01 volume 0.11823E-02 ppm1 2.352 ppm2 7.447 CV 1 ASSI { 665} (( segid " " and resid 995 and name HA )) (( segid " " and resid 996 and name HD2 )) 3.800 1.800 1.800 peak 665 spectrum 1 weight 0.10000E+01 volume 0.95388E-03 ppm1 4.301 ppm2 4.059 CV 1 ASSI { 516} ( segid " " and resid 1032 and name HB% ) ( segid " " and resid 1029 and name HG2%) 3.300 1.400 1.400 peak 516 spectrum 1 weight 0.10000E+01 volume 0.13905E-02 ppm1 1.550 ppm2 1.234 CV 1 ASSI { 966} ( segid " " and resid 932 and name HD1%) ( segid " " and resid 960 and name HB% ) 2.400 0.700 0.700 peak 966 spectrum 1 weight 0.10000E+01 volume 0.70737E-02 ppm1 0.827 ppm2 1.500 CV 1 ASSI { 2515} (( segid " " and resid 937 and name HB2 )) (( segid " " and resid 934 and name HA )) 2.700 0.900 0.900 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.39229E-02 ppm1 3.171 ppm2 4.148 CV 1 OR { 2515} (( segid " " and resid 937 and name HB3 )) (( segid " " and resid 934 and name HA )) ASSI { 2533} ( segid " " and resid 1008 and name HG2%) (( segid " " and resid 1005 and name HB3 )) 3.800 1.800 1.800 peak 2533 spectrum 1 weight 0.10000E+01 volume 0.92027E-03 ppm1 1.100 ppm2 1.800 CV 1 ASSI { 40} (( segid " " and resid 977 and name HG2 )) (( segid " " and resid 977 and name HD2 )) 2.500 0.800 0.800 peak 40 spectrum 1 weight 0.10000E+01 volume 0.28885E-02 ppm1 1.911 ppm2 3.328 CV 1 ASSI { 3091} ( segid " " and resid 994 and name HD2%) (( segid " " and resid 1034 and name HB3 )) 2.800 1.000 1.000 peak 3091 spectrum 1 weight 0.10000E+01 volume 0.12730E-02 ppm1 0.918 ppm2 1.227 CV 1 ASSI { 2173} (( segid " " and resid 994 and name HB2 )) (( segid " " and resid 994 and name HG )) 3.000 1.100 1.100 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.11252E-02 ppm1 1.447 ppm2 2.308 CV 1 ASSI { 3466} (( segid " " and resid 1040 and name HB2 )) ( segid " " and resid 913 and name HD1%) 3.900 1.900 1.900 peak 3466 spectrum 1 weight 0.10000E+01 volume 0.74898E-03 ppm1 1.732 ppm2 0.864 CV 1 ASSI { 2295} ( segid " " and resid 987 and name HD1%) (( segid " " and resid 987 and name HB )) 2.400 0.700 0.700 peak 2295 spectrum 1 weight 0.10000E+01 volume 0.62169E-02 ppm1 0.710 ppm2 1.868 CV 1 ASSI { 3325} ( segid " " and resid 1000 and name HE% ) ( segid " " and resid 1027 and name HD2%) 1.700 0.400 0.500 peak 3325 spectrum 1 weight 0.10000E+01 volume 0.34229E-01 ppm1 1.974 ppm2 0.829 CV 1 ASSI { 3507} ( segid " " and resid 952 and name HD1%) (( segid " " and resid 952 and name H )) 3.900 1.900 1.900 peak 3507 spectrum 1 weight 0.10000E+01 volume 0.10681E-02 ppm1 0.831 ppm2 8.011 CV 1 ASSI { 612} (( segid " " and resid 927 and name HA )) (( segid " " and resid 928 and name H )) 3.300 1.400 1.400 peak 612 spectrum 1 weight 0.10000E+01 volume 0.11520E-02 ppm1 4.214 ppm2 8.954 CV 1 ASSI { 2242} ( segid " " and resid 965 and name HD1%) (( segid " " and resid 989 and name HA )) 3.800 1.800 1.800 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.53067E-03 ppm1 0.936 ppm2 4.184 CV 1 ASSI { 1453} ( segid " " and resid 1010 and name HG2%) (( segid " " and resid 1009 and name HB3 )) 2.900 1.000 1.000 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.10748E-02 ppm1 1.180 ppm2 2.355 CV 1 ASSI { 1678} (( segid " " and resid 963 and name HA )) (( segid " " and resid 966 and name HB3 )) 3.500 1.500 1.500 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.17163E-02 ppm1 3.691 ppm2 1.588 CV 1 ASSI { 1365} ( segid " " and resid 921 and name HB% ) (( segid " " and resid 918 and name HG2 )) 4.100 2.100 1.900 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.60794E-03 ppm1 1.171 ppm2 1.942 CV 1 ASSI { 2674} (( segid " " and resid 964 and name HD3 )) ( segid " " and resid 963 and name HG2%) 3.200 1.300 1.300 peak 2674 spectrum 1 weight 0.10000E+01 volume 0.25324E-02 ppm1 3.680 ppm2 0.845 CV 1 OR { 2674} (( segid " " and resid 964 and name HD2 )) ( segid " " and resid 963 and name HG2%) ASSI { 2963} (( segid " " and resid 1035 and name HA )) (( segid " " and resid 1038 and name H )) 3.200 1.300 1.300 peak 2963 spectrum 1 weight 0.10000E+01 volume 0.91358E-03 ppm1 3.802 ppm2 8.724 CV 1 ASSI { 2279} (( segid " " and resid 1035 and name HA )) (( segid " " and resid 1035 and name HB3 )) 2.900 1.100 1.100 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.27373E-02 ppm1 3.804 ppm2 2.027 CV 1 ASSI { 3132} (( segid " " and resid 931 and name HA )) (( segid " " and resid 1023 and name HB2 )) 3.200 1.300 1.300 peak 3132 spectrum 1 weight 0.10000E+01 volume 0.16458E-02 ppm1 3.805 ppm2 3.324 CV 1 ASSI { 3071} ( segid " " and resid 932 and name HD1%) ( segid " " and resid 929 and name HG2%) 3.800 1.800 1.800 peak 3071 spectrum 1 weight 0.10000E+01 volume 0.97403E-03 ppm1 0.828 ppm2 1.224 CV 1 ASSI { 979} (( segid " " and resid 927 and name HB3 )) (( segid " " and resid 1027 and name H )) 3.800 1.800 1.800 peak 979 spectrum 1 weight 0.10000E+01 volume 0.62809E-03 ppm1 3.760 ppm2 8.795 CV 1 ASSI { 2144} (( segid " " and resid 974 and name HA )) (( segid " " and resid 974 and name HG2 )) 2.800 1.000 1.000 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.24317E-02 ppm1 3.950 ppm2 2.476 CV 1 ASSI { 2529} (( segid " " and resid 977 and name HD3 )) (( segid " " and resid 976 and name H )) 3.400 1.400 1.400 peak 2529 spectrum 1 weight 0.10000E+01 volume 0.10110E-02 ppm1 3.533 ppm2 7.053 CV 1 ASSI { 3228} (( segid " " and resid 909 and name HA )) (( segid " " and resid 910 and name HD2 )) 2.100 0.500 0.500 peak 3228 spectrum 1 weight 0.10000E+01 volume 0.13569E-01 ppm1 4.767 ppm2 3.767 CV 1 ASSI { 1731} ( segid " " and resid 912 and name HG2%) ( segid " " and resid 914 and name HG2%) 3.400 1.500 1.500 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.13032E-02 ppm1 1.228 ppm2 0.794 CV 1 ASSI { 444} (( segid " " and resid 978 and name HB3 )) (( segid " " and resid 978 and name H )) 3.000 1.100 1.100 peak 444 spectrum 1 weight 0.10000E+01 volume 0.24485E-02 ppm1 2.640 ppm2 8.368 CV 1 ASSI { 760} (( segid " " and resid 918 and name HA )) ( segid " " and resid 986 and name HD1%) 2.800 1.000 1.000 peak 760 spectrum 1 weight 0.10000E+01 volume 0.23410E-02 ppm1 3.645 ppm2 0.856 CV 1 ASSI { 956} ( segid " " and resid 952 and name HD2%) (( segid " " and resid 1000 and name HG2 )) 2.900 1.100 1.100 peak 956 spectrum 1 weight 0.10000E+01 volume 0.19950E-02 ppm1 0.704 ppm2 2.319 CV 1 ASSI { 939} (( segid " " and resid 1034 and name HG )) ( segid " " and resid 1034 and name HD1%) 2.900 1.000 1.000 peak 939 spectrum 1 weight 0.10000E+01 volume 0.16391E-02 ppm1 1.461 ppm2 0.826 CV 1 ASSI { 2970} (( segid " " and resid 963 and name HB )) ( segid " " and resid 963 and name HD1%) 2.600 0.900 0.900 peak 2970 spectrum 1 weight 0.10000E+01 volume 0.30329E-02 ppm1 1.987 ppm2 0.931 CV 1 OR { 2970} (( segid " " and resid 963 and name HB )) (( segid " " and resid 963 and name HG12)) ASSI { 870} (( segid " " and resid 930 and name HB2 )) (( segid " " and resid 930 and name H )) 2.700 0.900 0.900 peak 870 spectrum 1 weight 0.10000E+01 volume 0.32042E-02 ppm1 2.196 ppm2 7.887 CV 1 OR { 870} (( segid " " and resid 930 and name HB3 )) (( segid " " and resid 930 and name H )) ASSI { 3484} (( segid " " and resid 1005 and name HE3 )) ( segid " " and resid 1024 and name HB% ) 3.400 1.400 1.400 peak 3484 spectrum 1 weight 0.10000E+01 volume 0.94042E-03 ppm1 2.837 ppm2 1.423 CV 1 ASSI { 1652} ( segid " " and resid 1027 and name HD1%) ( segid " " and resid 1031 and name HD1%) 3.700 1.700 1.700 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.71538E-03 ppm1 0.905 ppm2 0.702 CV 1 ASSI { 376} ( segid " " and resid 1034 and name HD1%) (( segid " " and resid 1034 and name HB2 )) 2.600 0.800 0.800 peak 376 spectrum 1 weight 0.10000E+01 volume 0.28750E-02 ppm1 0.821 ppm2 2.197 CV 1 ASSI { 783} (( segid " " and resid 1035 and name HD3 )) (( segid " " and resid 1035 and name HG2 )) 2.500 0.800 0.800 peak 783 spectrum 1 weight 0.10000E+01 volume 0.40237E-02 ppm1 3.198 ppm2 1.466 CV 1 OR { 783} (( segid " " and resid 1035 and name HD2 )) (( segid " " and resid 1035 and name HG2 )) ASSI { 2635} ( segid " " and resid 970 and name HG1%) (( segid " " and resid 967 and name HA )) 3.800 1.800 1.800 peak 2635 spectrum 1 weight 0.10000E+01 volume 0.14476E-02 ppm1 0.726 ppm2 3.279 CV 1 ASSI { 2259} (( segid " " and resid 993 and name HB2 )) (( segid " " and resid 990 and name HA )) 3.700 1.700 1.700 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.86987E-03 ppm1 3.385 ppm2 3.969 CV 1 ASSI { 35} (( segid " " and resid 973 and name HA )) (( segid " " and resid 974 and name H )) 3.300 1.400 1.400 peak 35 spectrum 1 weight 0.10000E+01 volume 0.10647E-02 ppm1 4.000 ppm2 8.176 CV 1 ASSI { 3291} ( segid " " and resid 1031 and name HD1%) (( segid " " and resid 997 and name HA3 )) 2.900 1.100 1.100 peak 3291 spectrum 1 weight 0.10000E+01 volume 0.13401E-02 ppm1 0.702 ppm2 3.202 CV 1 ASSI { 1763} (( segid " " and resid 961 and name HA )) (( segid " " and resid 961 and name HG3 )) 3.100 1.200 1.200 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.34393E-02 ppm1 4.068 ppm2 2.261 CV 1 ASSI { 1770} ( segid " " and resid 1011 and name HD1%) (( segid " " and resid 1008 and name HA )) 2.400 0.700 0.700 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.50414E-02 ppm1 0.610 ppm2 3.636 CV 1 ASSI { 3331} (( segid " " and resid 1043 and name HB2 )) (( segid " " and resid 1043 and name HB3 )) 1.800 0.400 0.400 peak 3331 spectrum 1 weight 0.10000E+01 volume 0.12760E-01 ppm1 1.925 ppm2 2.075 CV 1 ASSI { 1288} (( segid " " and resid 995 and name HB3 )) (( segid " " and resid 995 and name H )) 2.200 0.600 0.600 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.75741E-02 ppm1 2.163 ppm2 8.336 CV 1 OR { 1288} (( segid " " and resid 995 and name HB2 )) (( segid " " and resid 995 and name H )) ASSI { 3420} (( segid " " and resid 988 and name HA )) (( segid " " and resid 991 and name HG3 )) 3.400 1.500 1.500 peak 3420 spectrum 1 weight 0.10000E+01 volume 0.71203E-03 ppm1 4.144 ppm2 2.509 CV 1 ASSI { 1325} (( segid " " and resid 967 and name HA )) ( segid " " and resid 967 and name HG2%) 2.300 0.600 0.600 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.85110E-02 ppm1 3.276 ppm2 0.844 CV 1 ASSI { 1367} ( segid " " and resid 975 and name HB% ) (( segid " " and resid 976 and name HG2 )) 2.600 0.900 0.900 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.41446E-02 ppm1 1.461 ppm2 2.210 CV 1 ASSI { 416} ( segid " " and resid 1027 and name HD2%) ( segid " " and resid 1004 and name HB% ) 3.100 1.200 1.200 peak 416 spectrum 1 weight 0.10000E+01 volume 0.72883E-03 ppm1 0.820 ppm2 1.287 CV 1 ASSI { 2522} (( segid " " and resid 953 and name HB )) (( segid " " and resid 954 and name H )) 2.700 0.900 0.900 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.25157E-02 ppm1 2.047 ppm2 8.192 CV 1 ASSI { 2707} (( segid " " and resid 1028 and name HA2 )) (( segid " " and resid 1031 and name HB2 )) 3.200 1.300 1.300 peak 2707 spectrum 1 weight 0.10000E+01 volume 0.87998E-03 ppm1 3.701 ppm2 2.023 CV 1 OR { 2707} (( segid " " and resid 1028 and name HA2 )) (( segid " " and resid 1031 and name HG )) ASSI { 2380} (( segid " " and resid 927 and name HB2 )) (( segid " " and resid 927 and name HA )) 2.600 0.900 0.900 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.32949E-02 ppm1 3.875 ppm2 4.214 CV 1 ASSI { 1344} ( segid " " and resid 1027 and name HD2%) (( segid " " and resid 931 and name HB )) 2.800 1.000 1.000 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.24015E-02 ppm1 0.821 ppm2 4.234 CV 1 ASSI { 578} (( segid " " and resid 1042 and name HG3 )) ( segid " " and resid 987 and name HG2%) 2.800 1.000 1.000 peak 578 spectrum 1 weight 0.10000E+01 volume 0.20320E-02 ppm1 2.341 ppm2 0.802 CV 1 ASSI { 110} ( segid " " and resid 966 and name HD1%) (( segid " " and resid 925 and name HA )) 2.800 1.000 1.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.27608E-02 ppm1 -0.046 ppm2 3.709 CV 1 ASSI { 2532} ( segid " " and resid 1036 and name HG2%) (( segid " " and resid 1036 and name H )) 3.400 1.400 1.400 peak 2532 spectrum 1 weight 0.10000E+01 volume 0.29624E-02 ppm1 1.197 ppm2 7.943 CV 1 ASSI { 2332} (( segid " " and resid 922 and name HG3 )) (( segid " " and resid 922 and name H )) 2.500 0.800 0.800 peak 2332 spectrum 1 weight 0.10000E+01 volume 0.22066E-02 ppm1 1.638 ppm2 8.136 CV 1 ASSI { 1961} (( segid " " and resid 973 and name HB2 )) (( segid " " and resid 974 and name H )) 3.800 1.800 1.800 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.89008E-03 ppm1 3.565 ppm2 8.175 CV 1 ASSI { 159} (( segid " " and resid 913 and name HB3 )) (( segid " " and resid 913 and name HB2 )) 2.100 0.500 0.500 peak 159 spectrum 1 weight 0.10000E+01 volume 0.50649E-02 ppm1 1.259 ppm2 1.899 CV 1 ASSI { 1982} (( segid " " and resid 942 and name HD3 )) (( segid " " and resid 942 and name HD2 )) 1.700 0.400 0.500 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.18997E-01 ppm1 3.560 ppm2 3.749 CV 1 ASSI { 649} (( segid " " and resid 1005 and name HE2 )) (( segid " " and resid 1025 and name HA )) 3.300 1.400 1.400 peak 649 spectrum 1 weight 0.10000E+01 volume 0.77248E-03 ppm1 2.757 ppm2 4.006 CV 1 ASSI { 2165} (( segid " " and resid 914 and name HA )) ( segid " " and resid 917 and name HD1%) 3.300 1.400 1.400 peak 2165 spectrum 1 weight 0.10000E+01 volume 0.14409E-02 ppm1 3.463 ppm2 0.698 CV 1 ASSI { 1118} ( segid " " and resid 970 and name HG2%) (( segid " " and resid 922 and name HG3 )) 2.900 1.000 1.000 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.21193E-02 ppm1 0.916 ppm2 1.635 CV 1 ASSI { 935} (( segid " " and resid 928 and name HA )) (( segid " " and resid 931 and name H )) 3.000 1.100 1.100 peak 935 spectrum 1 weight 0.10000E+01 volume 0.16088E-02 ppm1 4.046 ppm2 8.043 CV 1 ASSI { 1645} (( segid " " and resid 966 and name HB2 )) (( segid " " and resid 967 and name H )) 2.800 1.000 1.000 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.13368E-02 ppm1 1.330 ppm2 8.218 CV 1 ASSI { 395} (( segid " " and resid 962 and name HG3 )) (( segid " " and resid 962 and name HA )) 3.300 1.400 1.400 peak 395 spectrum 1 weight 0.10000E+01 volume 0.21025E-02 ppm1 2.398 ppm2 4.367 CV 1 ASSI { 238} ( segid " " and resid 994 and name HD1%) (( segid " " and resid 991 and name HA )) 2.200 0.600 0.600 peak 238 spectrum 1 weight 0.10000E+01 volume 0.46182E-02 ppm1 0.932 ppm2 3.997 CV 1 ASSI { 2367} (( segid " " and resid 1018 and name HG2 )) (( segid " " and resid 1018 and name HA )) 3.000 1.100 1.100 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.17566E-02 ppm1 2.698 ppm2 4.188 CV 1 ASSI { 2924} ( segid " " and resid 912 and name HG2%) (( segid " " and resid 912 and name HB )) 2.200 0.600 0.600 peak 2924 spectrum 1 weight 0.10000E+01 volume 0.10268E-01 ppm1 1.228 ppm2 4.506 CV 1 ASSI { 1230} ( segid " " and resid 1027 and name HD1%) (( segid " " and resid 1027 and name HG )) 2.100 0.600 0.600 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.99148E-02 ppm1 0.932 ppm2 1.359 CV 1 ASSI { 2366} (( segid " " and resid 1023 and name HA )) (( segid " " and resid 1023 and name H )) 2.600 0.800 0.800 peak 2366 spectrum 1 weight 0.10000E+01 volume 0.39095E-02 ppm1 4.118 ppm2 8.371 CV 1 ASSI { 812} ( segid " " and resid 913 and name HD2%) (( segid " " and resid 913 and name HG )) 2.100 0.500 0.500 peak 812 spectrum 1 weight 0.10000E+01 volume 0.13824E-01 ppm1 0.785 ppm2 1.719 CV 1 ASSI { 1804} (( segid " " and resid 912 and name HA )) (( segid " " and resid 912 and name HB )) 2.500 0.800 0.800 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.40002E-02 ppm1 4.196 ppm2 4.506 CV 1 ASSI { 3212} ( segid " " and resid 914 and name HG2%) (( segid " " and resid 914 and name HB )) 2.100 0.600 0.600 peak 3212 spectrum 1 weight 0.10000E+01 volume 0.12253E-01 ppm1 0.797 ppm2 1.920 CV 1 ASSI { 241} (( segid " " and resid 996 and name HG3 )) (( segid " " and resid 996 and name HB3 )) 2.500 0.800 0.800 peak 241 spectrum 1 weight 0.10000E+01 volume 0.23276E-02 ppm1 1.764 ppm2 1.422 CV 1 ASSI { 3227} ( segid " " and resid 913 and name HD2%) (( segid " " and resid 1040 and name H )) 4.300 2.300 1.700 peak 3227 spectrum 1 weight 0.10000E+01 volume 0.78593E-03 ppm1 0.785 ppm2 8.319 CV 1 ASSI { 3034} (( segid " " and resid 948 and name HA )) (( segid " " and resid 948 and name HB2 )) 2.600 0.800 0.800 peak 3034 spectrum 1 weight 0.10000E+01 volume 0.70198E-02 ppm1 4.399 ppm2 2.168 CV 1 ASSI { 1525} (( segid " " and resid 1011 and name HG12)) (( segid " " and resid 1011 and name HG13)) 2.100 0.500 0.500 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.49238E-02 ppm1 1.120 ppm2 1.490 CV 1 ASSI { 2121} (( segid " " and resid 915 and name HA )) (( segid " " and resid 915 and name H )) 2.800 1.000 1.000 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.23444E-02 ppm1 3.845 ppm2 7.786 CV 1 ASSI { 1339} (( segid " " and resid 1042 and name HB3 )) (( segid " " and resid 1042 and name HG2 )) 2.600 0.900 0.900 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.25358E-02 ppm1 2.194 ppm2 2.421 CV 1 ASSI { 1009} (( segid " " and resid 981 and name HA )) (( segid " " and resid 984 and name HB3 )) 3.700 1.700 1.700 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.15853E-02 ppm1 4.120 ppm2 1.563 CV 1 ASSI { 2807} (( segid " " and resid 927 and name HB3 )) (( segid " " and resid 928 and name H )) 2.900 1.000 1.000 peak 2807 spectrum 1 weight 0.10000E+01 volume 0.18339E-02 ppm1 3.756 ppm2 8.952 CV 1 ASSI { 2041} (( segid " " and resid 919 and name HA )) (( segid " " and resid 920 and name H )) 3.500 1.500 1.500 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.86318E-03 ppm1 4.123 ppm2 8.376 CV 1 ASSI { 2226} ( segid " " and resid 987 and name HD1%) (( segid " " and resid 987 and name H )) 3.300 1.400 1.400 peak 2226 spectrum 1 weight 0.10000E+01 volume 0.35602E-02 ppm1 0.712 ppm2 8.442 CV 1 ASSI { 1163} ( segid " " and resid 953 and name HG2%) (( segid " " and resid 954 and name HA )) 4.200 2.200 1.800 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.91023E-03 ppm1 0.959 ppm2 3.949 CV 1 ASSI { 1147} ( segid " " and resid 1001 and name HG2%) (( segid " " and resid 1002 and name H )) 3.600 1.600 1.600 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.21327E-02 ppm1 1.022 ppm2 7.632 CV 1 ASSI { 1943} (( segid " " and resid 990 and name HA )) ( segid " " and resid 1034 and name HD1%) 3.300 1.400 1.400 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.14678E-02 ppm1 3.967 ppm2 0.833 CV 1 ASSI { 2767} ( segid " " and resid 1011 and name HG2%) (( segid " " and resid 1011 and name HG12)) 2.600 0.900 0.900 peak 2767 spectrum 1 weight 0.10000E+01 volume 0.30698E-02 ppm1 0.950 ppm2 1.119 CV 1 ASSI { 374} ( segid " " and resid 912 and name HG2%) (( segid " " and resid 911 and name HA )) 3.400 1.400 1.400 peak 374 spectrum 1 weight 0.10000E+01 volume 0.14039E-02 ppm1 1.228 ppm2 4.729 CV 1 ASSI { 2473} (( segid " " and resid 1040 and name HG2 )) ( segid " " and resid 913 and name HD2%) 4.100 2.100 1.900 peak 2473 spectrum 1 weight 0.10000E+01 volume 0.83298E-03 ppm1 1.570 ppm2 0.784 CV 1 ASSI { 2467} (( segid " " and resid 949 and name HA )) (( segid " " and resid 950 and name HD3 )) 2.900 1.000 1.000 peak 2467 spectrum 1 weight 0.10000E+01 volume 0.24250E-02 ppm1 4.430 ppm2 3.659 CV 1 ASSI { 276} (( segid " " and resid 998 and name HA3 )) ( segid " " and resid 1001 and name HG2%) 4.400 2.400 1.600 peak 276 spectrum 1 weight 0.10000E+01 volume 0.10781E-02 ppm1 3.648 ppm2 1.020 CV 1 ASSI { 3250} (( segid " " and resid 960 and name HA )) (( segid " " and resid 959 and name HB )) 3.700 1.700 1.700 peak 3250 spectrum 1 weight 0.10000E+01 volume 0.75574E-03 ppm1 3.930 ppm2 2.062 CV 1 ASSI { 2555} ( segid " " and resid 929 and name HG2%) (( segid " " and resid 930 and name H )) 3.100 1.200 1.200 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.30396E-02 ppm1 1.227 ppm2 7.887 CV 1 ASSI { 234} ( segid " " and resid 929 and name HG2%) (( segid " " and resid 929 and name HB )) 2.200 0.600 0.600 peak 234 spectrum 1 weight 0.10000E+01 volume 0.10204E-01 ppm1 1.227 ppm2 4.424 CV 1 ASSI { 685} (( segid " " and resid 1007 and name HB3 )) ( segid " " and resid 1020 and name HD1%) 3.300 1.400 1.400 peak 685 spectrum 1 weight 0.10000E+01 volume 0.10446E-02 ppm1 3.903 ppm2 0.749 CV 1 ASSI { 2037} (( segid " " and resid 1023 and name HB2 )) (( segid " " and resid 1024 and name H )) 3.200 1.300 1.300 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.86652E-03 ppm1 3.321 ppm2 8.666 CV 1 ASSI { 2876} (( segid " " and resid 994 and name HA )) ( segid " " and resid 993 and name HD% ) 3.600 1.600 1.600 peak 2876 spectrum 1 weight 0.10000E+01 volume 0.56426E-03 ppm1 3.813 ppm2 6.994 CV 1 ASSI { 2485} (( segid " " and resid 1001 and name HA )) ( segid " " and resid 1024 and name HB% ) 2.800 1.000 1.000 peak 2485 spectrum 1 weight 0.10000E+01 volume 0.26668E-02 ppm1 3.279 ppm2 1.426 CV 1 ASSI { 2221} (( segid " " and resid 913 and name HB3 )) (( segid " " and resid 913 and name HG )) 3.400 1.500 1.500 peak 2221 spectrum 1 weight 0.10000E+01 volume 0.11856E-02 ppm1 1.259 ppm2 1.717 CV 1 ASSI { 2607} (( segid " " and resid 1022 and name HA )) (( segid " " and resid 1022 and name HB3 )) 2.800 1.000 1.000 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.46249E-02 ppm1 3.994 ppm2 2.223 CV 1 ASSI { 2206} (( segid " " and resid 919 and name HA )) (( segid " " and resid 919 and name HB2 )) 2.400 0.700 0.700 peak 2206 spectrum 1 weight 0.10000E+01 volume 0.75705E-02 ppm1 4.124 ppm2 3.089 CV 1 OR { 2206} (( segid " " and resid 919 and name HA )) (( segid " " and resid 919 and name HB3 )) ASSI { 308} ( segid " " and resid 952 and name HD2%) (( segid " " and resid 1004 and name H )) 3.000 1.100 1.100 peak 308 spectrum 1 weight 0.10000E+01 volume 0.24989E-02 ppm1 0.705 ppm2 8.808 CV 1 ASSI { 178} ( segid " " and resid 1029 and name HG2%) (( segid " " and resid 1029 and name H )) 3.300 1.400 1.400 peak 178 spectrum 1 weight 0.10000E+01 volume 0.34494E-02 ppm1 1.237 ppm2 8.077 CV 1 ASSI { 998} ( segid " " and resid 1031 and name HD1%) (( segid " " and resid 997 and name H )) 4.200 2.200 1.800 peak 998 spectrum 1 weight 0.10000E+01 volume 0.66169E-03 ppm1 0.704 ppm2 7.834 CV 1 ASSI { 1666} ( segid " " and resid 1011 and name HG2%) (( segid " " and resid 1012 and name H )) 2.800 1.000 1.000 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.30430E-02 ppm1 0.950 ppm2 8.544 CV 1 ASSI { 389} (( segid " " and resid 916 and name HA )) (( segid " " and resid 916 and name HG2 )) 3.000 1.100 1.100 peak 389 spectrum 1 weight 0.10000E+01 volume 0.23981E-02 ppm1 3.891 ppm2 1.728 CV 1 ASSI { 967} (( segid " " and resid 922 and name HA )) ( segid " " and resid 970 and name HG2%) 3.100 1.200 1.200 peak 967 spectrum 1 weight 0.10000E+01 volume 0.14778E-02 ppm1 3.689 ppm2 0.917 CV 1 ASSI { 1287} (( segid " " and resid 995 and name HG3 )) (( segid " " and resid 999 and name HE3 )) 3.400 1.500 1.500 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.78593E-03 ppm1 2.399 ppm2 2.836 CV 1 OR { 1287} (( segid " " and resid 995 and name HG3 )) (( segid " " and resid 999 and name HE2 )) ASSI { 1553} (( segid " " and resid 919 and name HA )) (( segid " " and resid 922 and name HG2 )) 4.500 2.600 1.500 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.62809E-03 ppm1 4.120 ppm2 1.312 CV 1 ASSI { 2116} (( segid " " and resid 983 and name HG3 )) (( segid " " and resid 983 and name HB3 )) 2.800 1.000 1.000 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.26836E-02 ppm1 2.264 ppm2 1.960 CV 1 ASSI { 1065} ( segid " " and resid 1008 and name HG1%) (( segid " " and resid 1008 and name HA )) 2.400 0.700 0.700 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.67478E-02 ppm1 0.896 ppm2 3.632 CV 1 ASSI { 3100} (( segid " " and resid 919 and name HA )) (( segid " " and resid 922 and name HB2 )) 2.800 1.000 1.000 peak 3100 spectrum 1 weight 0.10000E+01 volume 0.30094E-02 ppm1 4.123 ppm2 1.821 CV 1 OR { 3100} (( segid " " and resid 919 and name HA )) (( segid " " and resid 922 and name HB3 )) ASSI { 2175} (( segid " " and resid 958 and name HA )) (( segid " " and resid 961 and name HB3 )) 2.700 0.900 0.900 peak 2175 spectrum 1 weight 0.10000E+01 volume 0.39431E-02 ppm1 4.151 ppm2 2.075 CV 1 OR { 2175} (( segid " " and resid 958 and name HA )) (( segid " " and resid 961 and name HB2 )) ASSI { 3468} (( segid " " and resid 910 and name HD3 )) (( segid " " and resid 910 and name HG3 )) 2.300 0.700 0.700 peak 3468 spectrum 1 weight 0.10000E+01 volume 0.48500E-02 ppm1 3.688 ppm2 1.714 CV 1 ASSI { 1373} (( segid " " and resid 996 and name HA )) (( segid " " and resid 996 and name HD3 )) 3.300 1.300 1.300 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.11117E-02 ppm1 4.165 ppm2 3.491 CV 1 ASSI { 887} (( segid " " and resid 1026 and name HB3 )) (( segid " " and resid 1027 and name H )) 3.600 1.600 1.600 peak 887 spectrum 1 weight 0.10000E+01 volume 0.12125E-02 ppm1 2.860 ppm2 8.796 CV 1 ASSI { 1693} (( segid " " and resid 937 and name HB3 )) (( segid " " and resid 938 and name H )) 2.800 1.000 1.000 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.35199E-02 ppm1 3.171 ppm2 7.809 CV 1 OR { 1693} (( segid " " and resid 937 and name HB2 )) (( segid " " and resid 938 and name H )) ASSI { 2624} (( segid " " and resid 976 and name HG2 )) (( segid " " and resid 976 and name HB3 )) 2.700 0.900 0.900 peak 2624 spectrum 1 weight 0.10000E+01 volume 0.38692E-02 ppm1 2.218 ppm2 2.028 CV 1 ASSI { 926} ( segid " " and resid 917 and name HD2%) (( segid " " and resid 917 and name H )) 3.600 1.700 1.700 peak 926 spectrum 1 weight 0.10000E+01 volume 0.15047E-02 ppm1 0.853 ppm2 7.601 CV 1 ASSI { 1547} (( segid " " and resid 917 and name HB3 )) (( segid " " and resid 917 and name HB2 )) 2.300 0.700 0.700 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.25358E-02 ppm1 1.116 ppm2 2.170 CV 1 ASSI { 1679} (( segid " " and resid 990 and name HA )) (( segid " " and resid 990 and name HB3 )) 2.500 0.800 0.800 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.32277E-02 ppm1 3.969 ppm2 3.393 CV 1 ASSI { 2531} (( segid " " and resid 1007 and name HB3 )) (( segid " " and resid 952 and name HG )) 3.800 1.800 1.800 peak 2531 spectrum 1 weight 0.10000E+01 volume 0.59785E-03 ppm1 3.901 ppm2 1.415 CV 1 ASSI { 2723} (( segid " " and resid 1035 and name HB3 )) ( segid " " and resid 994 and name HD2%) 3.900 1.900 1.900 peak 2723 spectrum 1 weight 0.10000E+01 volume 0.16357E-02 ppm1 2.033 ppm2 0.925 CV 1 OR { 2723} (( segid " " and resid 1035 and name HB3 )) ( segid " " and resid 994 and name HD1%) ASSI { 732} ( segid " " and resid 987 and name HD1%) (( segid " " and resid 984 and name HA )) 2.400 0.700 0.700 peak 732 spectrum 1 weight 0.10000E+01 volume 0.53336E-02 ppm1 0.710 ppm2 3.977 CV 1 ASSI { 2341} (( segid " " and resid 932 and name HA )) (( segid " " and resid 932 and name HG12)) 2.500 0.800 0.800 peak 2341 spectrum 1 weight 0.10000E+01 volume 0.30295E-02 ppm1 3.696 ppm2 0.933 CV 1 ASSI { 2475} ( segid " " and resid 967 and name HG2%) (( segid " " and resid 922 and name HA )) 2.600 0.800 0.800 peak 2475 spectrum 1 weight 0.10000E+01 volume 0.41883E-02 ppm1 0.846 ppm2 3.696 CV 1 ASSI { 2197} (( segid " " and resid 910 and name HD2 )) (( segid " " and resid 909 and name HB2 )) 3.900 1.900 1.900 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.80273E-03 ppm1 3.771 ppm2 2.681 CV 1 ASSI { 1963} (( segid " " and resid 998 and name HA3 )) (( segid " " and resid 1001 and name H )) 4.200 2.200 1.800 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.77588E-03 ppm1 3.648 ppm2 7.922 CV 1 ASSI { 840} (( segid " " and resid 948 and name HB2 )) (( segid " " and resid 948 and name HB3 )) 1.800 0.400 0.400 peak 840 spectrum 1 weight 0.10000E+01 volume 0.12467E-01 ppm1 2.169 ppm2 1.859 CV 1 ASSI { 1040} (( segid " " and resid 1018 and name HG2 )) (( segid " " and resid 1018 and name HB3 )) 2.600 0.800 0.800 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.55922E-02 ppm1 2.697 ppm2 2.092 CV 1 ASSI { 349} (( segid " " and resid 996 and name HA )) (( segid " " and resid 996 and name HB2 )) 2.600 0.800 0.800 peak 349 spectrum 1 weight 0.10000E+01 volume 0.57433E-02 ppm1 4.169 ppm2 2.010 CV 1 ASSI { 305} ( segid " " and resid 1011 and name HD1%) (( segid " " and resid 1013 and name H )) 4.400 2.400 1.600 peak 305 spectrum 1 weight 0.10000E+01 volume 0.99417E-03 ppm1 0.611 ppm2 7.536 CV 1 ASSI { 173} (( segid " " and resid 911 and name HB2 )) (( segid " " and resid 911 and name H )) 2.700 0.900 0.900 peak 173 spectrum 1 weight 0.10000E+01 volume 0.25828E-02 ppm1 3.135 ppm2 8.107 CV 1 ASSI { 2754} ( segid " " and resid 952 and name HD2%) (( segid " " and resid 952 and name H )) 3.700 1.700 1.700 peak 2754 spectrum 1 weight 0.10000E+01 volume 0.14443E-02 ppm1 0.704 ppm2 8.015 CV 1 ASSI { 523} (( segid " " and resid 940 and name HA )) (( segid " " and resid 940 and name H )) 2.800 1.000 1.000 peak 523 spectrum 1 weight 0.10000E+01 volume 0.30833E-02 ppm1 4.375 ppm2 7.624 CV 1 ASSI { 385} (( segid " " and resid 971 and name HG2 )) (( segid " " and resid 971 and name HA )) 2.700 0.900 0.900 peak 385 spectrum 1 weight 0.10000E+01 volume 0.27407E-02 ppm1 1.711 ppm2 3.951 CV 1 ASSI { 1842} (( segid " " and resid 977 and name HB2 )) (( segid " " and resid 977 and name HB3 )) 1.800 0.400 0.400 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.14657E-01 ppm1 2.273 ppm2 1.826 CV 1 ASSI { 2463} (( segid " " and resid 1031 and name HB3 )) (( segid " " and resid 1031 and name H )) 3.700 1.800 1.800 peak 2463 spectrum 1 weight 0.10000E+01 volume 0.13636E-02 ppm1 1.463 ppm2 9.205 CV 1 ASSI { 2054} ( segid " " and resid 932 and name HG2%) (( segid " " and resid 936 and name HB2 )) 3.500 1.500 1.500 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.11184E-02 ppm1 0.849 ppm2 2.138 CV 1 ASSI { 722} ( segid " " and resid 966 and name HD1%) (( segid " " and resid 990 and name HA )) 3.100 1.200 1.200 peak 722 spectrum 1 weight 0.10000E+01 volume 0.19883E-02 ppm1 -0.046 ppm2 3.967 CV 1 ASSI { 290} (( segid " " and resid 1036 and name HA )) ( segid " " and resid 1036 and name HG2%) 2.400 0.700 0.700 peak 290 spectrum 1 weight 0.10000E+01 volume 0.65427E-02 ppm1 3.921 ppm2 1.196 CV 1 ASSI { 2062} ( segid " " and resid 932 and name HD1%) (( segid " " and resid 960 and name H )) 2.900 1.000 1.000 peak 2062 spectrum 1 weight 0.10000E+01 volume 0.26298E-02 ppm1 0.827 ppm2 8.669 CV 1 ASSI { 1724} ( segid " " and resid 1001 and name HG2%) (( segid " " and resid 1000 and name HB3 )) 3.400 1.500 1.500 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.90347E-03 ppm1 1.022 ppm2 2.309 CV 1 ASSI { 1765} ( segid " " and resid 987 and name HD1%) (( segid " " and resid 984 and name H )) 3.800 1.800 1.800 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.55083E-03 ppm1 0.710 ppm2 8.311 CV 1 ASSI { 1772} ( segid " " and resid 970 and name HG2%) (( segid " " and resid 918 and name H )) 4.200 2.200 1.800 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.59449E-03 ppm1 0.915 ppm2 8.756 CV 1 ASSI { 3015} ( segid " " and resid 1034 and name HD2%) (( segid " " and resid 990 and name HB3 )) 2.800 1.000 1.000 peak 3015 spectrum 1 weight 0.10000E+01 volume 0.21160E-02 ppm1 0.896 ppm2 3.393 CV 1 ASSI { 450} (( segid " " and resid 1029 and name HB )) (( segid " " and resid 1030 and name HA )) 3.700 1.700 1.700 peak 450 spectrum 1 weight 0.10000E+01 volume 0.66169E-03 ppm1 4.253 ppm2 4.146 CV 1 ASSI { 3429} (( segid " " and resid 931 and name HB )) (( segid " " and resid 932 and name H )) 2.900 1.000 1.000 peak 3429 spectrum 1 weight 0.10000E+01 volume 0.12730E-02 ppm1 4.237 ppm2 8.384 CV 1 ASSI { 2021} (( segid " " and resid 991 and name HA )) (( segid " " and resid 991 and name HB3 )) 2.400 0.700 0.700 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.35972E-02 ppm1 3.998 ppm2 2.006 CV 1 ASSI { 2749} (( segid " " and resid 1035 and name HD2 )) (( segid " " and resid 1035 and name HB2 )) 2.900 1.100 1.100 peak 2749 spectrum 1 weight 0.10000E+01 volume 0.17533E-02 ppm1 3.199 ppm2 1.969 CV 1 OR { 2749} (( segid " " and resid 1035 and name HD3 )) (( segid " " and resid 1035 and name HB2 )) ASSI { 1538} (( segid " " and resid 917 and name HA )) ( segid " " and resid 917 and name HD2%) 2.500 0.800 0.800 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.63616E-02 ppm1 4.047 ppm2 0.854 CV 1 ASSI { 2283} (( segid " " and resid 986 and name HB3 )) ( segid " " and resid 986 and name HD2%) 2.900 1.000 1.000 peak 2283 spectrum 1 weight 0.10000E+01 volume 0.17029E-02 ppm1 1.373 ppm2 0.674 CV 1 ASSI { 1352} ( segid " " and resid 921 and name HB% ) (( segid " " and resid 921 and name HA )) 2.200 0.600 0.600 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.83029E-02 ppm1 1.171 ppm2 3.813 CV 1 ASSI { 210} (( segid " " and resid 1010 and name HA )) ( segid " " and resid 1010 and name HG2%) 2.600 0.800 0.800 peak 210 spectrum 1 weight 0.10000E+01 volume 0.55922E-02 ppm1 4.394 ppm2 1.177 CV 1 ASSI { 2098} ( segid " " and resid 975 and name HB% ) (( segid " " and resid 972 and name HA2 )) 2.400 0.700 0.700 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.47257E-02 ppm1 1.461 ppm2 3.803 CV 1 ASSI { 2061} (( segid " " and resid 965 and name HB2 )) ( segid " " and resid 989 and name HB% ) 4.000 2.000 2.000 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.67843E-03 ppm1 1.558 ppm2 1.397 CV 1 ASSI { 1179} ( segid " " and resid 914 and name HG1%) (( segid " " and resid 913 and name HG )) 3.000 3.000 3.000 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.81953E-03 ppm1 0.902 ppm2 1.706 CV 1 ASSI { 2639} ( segid " " and resid 1038 and name HB% ) (( segid " " and resid 991 and name HE21)) 3.000 1.100 1.100 peak 2639 spectrum 1 weight 0.10000E+01 volume 0.18237E-02 ppm1 1.395 ppm2 7.185 CV 1 ASSI { 3000} ( segid " " and resid 1044 and name HB% ) (( segid " " and resid 1044 and name HA )) 2.200 0.600 0.600 peak 3000 spectrum 1 weight 0.10000E+01 volume 0.13794E-01 ppm1 1.308 ppm2 3.955 CV 1 ASSI { 2658} ( segid " " and resid 970 and name HG1%) (( segid " " and resid 974 and name HG3 )) 2.800 1.000 1.000 peak 2658 spectrum 1 weight 0.10000E+01 volume 0.18742E-02 ppm1 0.727 ppm2 2.274 CV 1 ASSI { 2601} ( segid " " and resid 970 and name HG1%) (( segid " " and resid 970 and name HB )) 2.100 0.600 0.600 peak 2601 spectrum 1 weight 0.10000E+01 volume 0.98580E-02 ppm1 0.727 ppm2 2.183 CV 1 ASSI { 2621} ( segid " " and resid 970 and name HG1%) (( segid " " and resid 974 and name H )) 3.300 1.400 1.400 peak 2621 spectrum 1 weight 0.10000E+01 volume 0.13704E-02 ppm1 0.726 ppm2 8.170 CV 1 ASSI { 1788} ( segid " " and resid 970 and name HG1%) (( segid " " and resid 922 and name HE3 )) 3.200 1.300 1.300 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.19010E-02 ppm1 0.727 ppm2 2.820 CV 1 OR { 1788} ( segid " " and resid 970 and name HG1%) (( segid " " and resid 922 and name HE2 )) ASSI { 2308} ( segid " " and resid 970 and name HG2%) (( segid " " and resid 971 and name H )) 3.700 1.700 1.700 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.17734E-02 ppm1 0.917 ppm2 8.296 CV 1 ASSI { 2184} (( segid " " and resid 999 and name HE2 )) (( segid " " and resid 999 and name H )) 4.000 2.000 2.000 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.84638E-03 ppm1 2.835 ppm2 7.750 CV 1 OR { 2184} (( segid " " and resid 999 and name HE3 )) (( segid " " and resid 999 and name H )) ASSI { 873} ( segid " " and resid 935 and name HB% ) (( segid " " and resid 932 and name HA )) 2.400 0.700 0.700 peak 873 spectrum 1 weight 0.10000E+01 volume 0.58643E-02 ppm1 1.353 ppm2 3.699 CV 1 ASSI { 520} ( segid " " and resid 966 and name HD1%) (( segid " " and resid 966 and name HG )) 2.200 0.600 0.600 peak 520 spectrum 1 weight 0.10000E+01 volume 0.77756E-02 ppm1 -0.046 ppm2 1.100 CV 1 ASSI { 1174} (( segid " " and resid 923 and name HB2 )) (( segid " " and resid 923 and name HG2 )) 2.400 0.700 0.700 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.59214E-02 ppm1 1.974 ppm2 2.203 CV 1 OR { 1174} (( segid " " and resid 923 and name HB3 )) (( segid " " and resid 923 and name HG2 )) ASSI { 1306} (( segid " " and resid 993 and name HB2 )) ( segid " " and resid 1034 and name HD2%) 4.000 2.000 2.000 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.10210E-02 ppm1 3.384 ppm2 0.909 CV 1 ASSI { 1096} ( segid " " and resid 982 and name HB% ) (( segid " " and resid 982 and name H )) 2.300 0.600 0.600 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.85917E-02 ppm1 1.456 ppm2 8.058 CV 1 ASSI { 999} ( segid " " and resid 970 and name HG2%) (( segid " " and resid 921 and name HA )) 4.400 2.400 1.600 peak 999 spectrum 1 weight 0.10000E+01 volume 0.75908E-03 ppm1 0.916 ppm2 3.815 CV 1 ASSI { 2368} ( segid " " and resid 959 and name HG2%) ( segid " " and resid 993 and name HE% ) 3.800 1.800 1.800 peak 2368 spectrum 1 weight 0.10000E+01 volume 0.10143E-02 ppm1 0.749 ppm2 6.922 CV 1 ASSI { 2106} (( segid " " and resid 927 and name HB3 )) ( segid " " and resid 928 and name HB% ) 4.000 2.000 2.000 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.60118E-03 ppm1 3.760 ppm2 1.648 CV 1 ASSI { 2273} ( segid " " and resid 994 and name HD1%) (( segid " " and resid 994 and name HG )) 2.200 0.600 0.600 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.76177E-02 ppm1 0.933 ppm2 2.305 CV 1 ASSI { 1890} (( segid " " and resid 971 and name HD2 )) ( segid " " and resid 967 and name HG1%) 2.700 0.900 0.900 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.37315E-02 ppm1 3.078 ppm2 0.791 CV 1 OR { 1890} (( segid " " and resid 971 and name HD3 )) ( segid " " and resid 967 and name HG1%) ASSI { 285} ( segid " " and resid 952 and name HD2%) ( segid " " and resid 1000 and name HE% ) 3.000 3.000 3.000 peak 285 spectrum 1 weight 0.10000E+01 volume 0.31840E-02 ppm1 0.704 ppm2 1.983 CV 1 ASSI { 1734} ( segid " " and resid 914 and name HG1%) (( segid " " and resid 983 and name HE21)) 3.200 1.300 1.300 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.13737E-02 ppm1 0.902 ppm2 7.466 CV 1 ASSI { 3031} (( segid " " and resid 983 and name HB3 )) (( segid " " and resid 984 and name H )) 3.400 1.500 1.500 peak 3031 spectrum 1 weight 0.10000E+01 volume 0.13200E-02 ppm1 1.950 ppm2 8.316 CV 1 ASSI { 420} (( segid " " and resid 965 and name HA )) (( segid " " and resid 968 and name HB2 )) 2.900 1.000 1.000 peak 420 spectrum 1 weight 0.10000E+01 volume 0.23914E-02 ppm1 4.039 ppm2 2.154 CV 1 ASSI { 1998} (( segid " " and resid 940 and name HA )) (( segid " " and resid 941 and name H )) 2.800 1.000 1.000 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.29321E-02 ppm1 4.375 ppm2 7.743 CV 1 ASSI { 3188} ( segid " " and resid 1008 and name HG2%) (( segid " " and resid 1007 and name H )) 3.500 1.500 1.500 peak 3188 spectrum 1 weight 0.10000E+01 volume 0.11319E-02 ppm1 1.102 ppm2 7.633 CV 1 ASSI { 565} (( segid " " and resid 1008 and name HA )) (( segid " " and resid 1008 and name HB )) 3.000 1.100 1.100 peak 565 spectrum 1 weight 0.10000E+01 volume 0.17600E-02 ppm1 3.634 ppm2 2.260 CV 1 ASSI { 2826} ( segid " " and resid 934 and name HB% ) (( segid " " and resid 931 and name HA )) 2.500 0.800 0.800 peak 2826 spectrum 1 weight 0.10000E+01 volume 0.48600E-02 ppm1 1.508 ppm2 3.818 CV 1 ASSI { 2149} (( segid " " and resid 908 and name HG13)) (( segid " " and resid 908 and name HG12)) 2.000 0.500 0.500 peak 2149 spectrum 1 weight 0.10000E+01 volume 0.73654E-02 ppm1 1.080 ppm2 1.350 CV 1 ASSI { 36} (( segid " " and resid 974 and name HA )) (( segid " " and resid 974 and name HG3 )) 2.800 1.000 1.000 peak 36 spectrum 1 weight 0.10000E+01 volume 0.54579E-02 ppm1 3.950 ppm2 2.265 CV 1 ASSI { 1280} (( segid " " and resid 952 and name HB2 )) (( segid " " and resid 952 and name HB3 )) 2.200 0.600 0.600 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.41211E-02 ppm1 2.009 ppm2 1.408 CV 1 ASSI { 1875} (( segid " " and resid 1035 and name HD2 )) ( segid " " and resid 994 and name HD1%) 3.300 1.400 1.400 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.16491E-02 ppm1 3.236 ppm2 0.927 CV 1 OR { 1875} (( segid " " and resid 1035 and name HD3 )) ( segid " " and resid 994 and name HD1%) OR { 1875} (( segid " " and resid 1035 and name HD3 )) ( segid " " and resid 994 and name HD2%) ASSI { 1945} ( segid " " and resid 967 and name HG1%) (( segid " " and resid 967 and name H )) 3.300 1.300 1.300 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.52564E-02 ppm1 0.793 ppm2 8.209 CV 1 ASSI { 2396} ( segid " " and resid 1002 and name HB% ) (( segid " " and resid 1001 and name HB )) 2.900 1.100 1.100 peak 2396 spectrum 1 weight 0.10000E+01 volume 0.41648E-02 ppm1 1.414 ppm2 2.162 CV 1 ASSI { 1122} ( segid " " and resid 1017 and name HB% ) (( segid " " and resid 1018 and name HG3 )) 4.200 2.200 1.800 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.73218E-03 ppm1 1.493 ppm2 2.591 CV 1 ASSI { 2868} (( segid " " and resid 918 and name HB2 )) ( segid " " and resid 970 and name HG1%) 4.500 2.600 1.500 peak 2868 spectrum 1 weight 0.10000E+01 volume 0.65158E-03 ppm1 2.339 ppm2 0.728 CV 1 ASSI { 165} (( segid " " and resid 918 and name HA )) ( segid " " and resid 921 and name HB% ) 2.800 0.900 0.900 peak 165 spectrum 1 weight 0.10000E+01 volume 0.25795E-02 ppm1 3.645 ppm2 1.169 CV 1 ASSI { 1723} ( segid " " and resid 1037 and name HB% ) (( segid " " and resid 1037 and name H )) 2.200 0.600 0.600 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.90850E-02 ppm1 1.322 ppm2 8.541 CV 1 ASSI { 1841} ( segid " " and resid 1036 and name HG2%) (( segid " " and resid 1033 and name HA )) 3.600 1.600 1.600 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.16659E-02 ppm1 1.197 ppm2 4.165 CV 1 ASSI { 1690} (( segid " " and resid 1028 and name HA2 )) (( segid " " and resid 1029 and name H )) 3.700 1.700 1.700 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.12629E-02 ppm1 3.705 ppm2 8.077 CV 1 ASSI { 2508} (( segid " " and resid 951 and name HG )) (( segid " " and resid 951 and name HA )) 3.400 1.400 1.400 peak 2508 spectrum 1 weight 0.10000E+01 volume 0.14107E-02 ppm1 1.523 ppm2 4.079 CV 1 ASSI { 2271} (( segid " " and resid 969 and name HA3 )) (( segid " " and resid 986 and name HA )) 3.100 1.200 1.200 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.96392E-03 ppm1 3.327 ppm2 4.042 CV 1 ASSI { 2878} ( segid " " and resid 928 and name HB% ) (( segid " " and resid 925 and name HA )) 2.500 0.800 0.800 peak 2878 spectrum 1 weight 0.10000E+01 volume 0.55956E-02 ppm1 1.648 ppm2 3.720 CV 1 ASSI { 1563} ( segid " " and resid 984 and name HD2%) (( segid " " and resid 984 and name H )) 2.900 1.000 1.000 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.23040E-02 ppm1 0.846 ppm2 8.314 CV 1 ASSI { 606} (( segid " " and resid 1014 and name HG2 )) (( segid " " and resid 1014 and name H )) 3.400 1.400 1.400 peak 606 spectrum 1 weight 0.10000E+01 volume 0.12293E-02 ppm1 2.388 ppm2 8.898 CV 1 ASSI { 73} ( segid " " and resid 1034 and name HD1%) ( segid " " and resid 966 and name HD1%) 3.200 1.300 1.300 peak 73 spectrum 1 weight 0.10000E+01 volume 0.15249E-02 ppm1 0.822 ppm2 -0.049 CV 1 ASSI { 1218} (( segid " " and resid 965 and name HA )) (( segid " " and resid 965 and name H )) 2.600 0.800 0.800 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.34393E-02 ppm1 4.038 ppm2 6.858 CV 1 ASSI { 714} ( segid " " and resid 924 and name HB% ) ( segid " " and resid 1031 and name HD2%) 2.300 0.600 0.600 peak 714 spectrum 1 weight 0.10000E+01 volume 0.95453E-02 ppm1 1.274 ppm2 0.939 CV 1 ASSI { 1993} (( segid " " and resid 996 and name HD3 )) (( segid " " and resid 996 and name HG3 )) 2.400 0.700 0.700 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.22805E-02 ppm1 3.490 ppm2 1.763 CV 1 ASSI { 1343} ( segid " " and resid 965 and name HD2%) (( segid " " and resid 965 and name HA )) 2.100 0.500 0.500 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.14049E-01 ppm1 0.837 ppm2 4.038 CV 1 ASSI { 2365} ( segid " " and resid 928 and name HB% ) (( segid " " and resid 928 and name HA )) 2.200 0.600 0.600 peak 2365 spectrum 1 weight 0.10000E+01 volume 0.84775E-02 ppm1 1.648 ppm2 4.046 CV 1 ASSI { 3470} (( segid " " and resid 947 and name HA3 )) (( segid " " and resid 947 and name H )) 3.100 1.200 1.200 peak 3470 spectrum 1 weight 0.10000E+01 volume 0.17498E-02 ppm1 4.022 ppm2 8.090 CV 1 ASSI { 1091} (( segid " " and resid 973 and name HB2 )) ( segid " " and resid 982 and name HB% ) 3.700 1.700 1.700 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.84972E-03 ppm1 3.565 ppm2 1.455 CV 1 ASSI { 2331} (( segid " " and resid 922 and name HA )) (( segid " " and resid 922 and name HB3 )) 2.400 0.700 0.700 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.58911E-02 ppm1 3.690 ppm2 1.819 CV 1 OR { 2331} (( segid " " and resid 922 and name HA )) (( segid " " and resid 922 and name HB2 )) ASSI { 906} ( segid " " and resid 1034 and name HD2%) ( segid " " and resid 966 and name HD2%) 3.100 1.200 1.200 peak 906 spectrum 1 weight 0.10000E+01 volume 0.12528E-02 ppm1 0.895 ppm2 0.488 CV 1 ASSI { 1241} (( segid " " and resid 1000 and name HG2 )) (( segid " " and resid 1000 and name HA )) 3.000 1.100 1.100 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.22234E-02 ppm1 2.320 ppm2 4.218 CV 1 ASSI { 2105} (( segid " " and resid 1033 and name HG3 )) ( segid " " and resid 1037 and name HB% ) 3.600 1.600 1.600 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.97403E-03 ppm1 2.343 ppm2 1.324 CV 1 OR { 2105} (( segid " " and resid 1033 and name HG2 )) ( segid " " and resid 1037 and name HB% ) ASSI { 896} (( segid " " and resid 961 and name HG2 )) (( segid " " and resid 961 and name H )) 2.600 0.900 0.900 peak 896 spectrum 1 weight 0.10000E+01 volume 0.31673E-02 ppm1 2.440 ppm2 7.463 CV 1 ASSI { 437} (( segid " " and resid 1025 and name HA )) (( segid " " and resid 1026 and name H )) 3.200 1.200 1.200 peak 437 spectrum 1 weight 0.10000E+01 volume 0.16592E-02 ppm1 4.011 ppm2 8.125 CV 1 ASSI { 3199} ( segid " " and resid 1034 and name HD1%) (( segid " " and resid 990 and name HB3 )) 2.800 0.900 0.900 peak 3199 spectrum 1 weight 0.10000E+01 volume 0.30900E-02 ppm1 0.822 ppm2 3.397 CV 1 ASSI { 2791} (( segid " " and resid 980 and name HB3 )) (( segid " " and resid 981 and name H )) 4.100 2.100 1.900 peak 2791 spectrum 1 weight 0.10000E+01 volume 0.65828E-03 ppm1 2.377 ppm2 7.894 CV 1 ASSI { 3316} (( segid " " and resid 914 and name HA )) (( segid " " and resid 914 and name H )) 2.700 0.900 0.900 peak 3316 spectrum 1 weight 0.10000E+01 volume 0.25761E-02 ppm1 3.465 ppm2 8.003 CV 1 ASSI { 2787} (( segid " " and resid 934 and name HA )) (( segid " " and resid 935 and name H )) 3.300 1.400 1.400 peak 2787 spectrum 1 weight 0.10000E+01 volume 0.12159E-02 ppm1 4.149 ppm2 8.791 CV 1 ASSI { 96} (( segid " " and resid 1034 and name HB2 )) (( segid " " and resid 1034 and name HA )) 3.000 1.200 1.200 peak 96 spectrum 1 weight 0.10000E+01 volume 0.93373E-03 ppm1 2.200 ppm2 3.964 CV 1 ASSI { 3056} (( segid " " and resid 908 and name HA )) (( segid " " and resid 908 and name HG12)) 3.400 1.500 1.500 peak 3056 spectrum 1 weight 0.10000E+01 volume 0.98407E-03 ppm1 4.116 ppm2 1.353 CV 1 ASSI { 2830} (( segid " " and resid 1027 and name HB3 )) ( segid " " and resid 1027 and name HD1%) 3.400 1.500 1.500 peak 2830 spectrum 1 weight 0.10000E+01 volume 0.23343E-02 ppm1 1.360 ppm2 0.931 CV 1 ASSI { 934} (( segid " " and resid 943 and name HG3 )) (( segid " " and resid 943 and name HB3 )) 2.800 0.900 0.900 peak 934 spectrum 1 weight 0.10000E+01 volume 0.30934E-02 ppm1 1.371 ppm2 1.730 CV 1 OR { 934} (( segid " " and resid 943 and name HG2 )) (( segid " " and resid 943 and name HB3 )) ASSI { 3234} (( segid " " and resid 919 and name HB3 )) (( segid " " and resid 920 and name H )) 2.700 0.900 0.900 peak 3234 spectrum 1 weight 0.10000E+01 volume 0.39028E-02 ppm1 3.090 ppm2 8.371 CV 1 OR { 3234} (( segid " " and resid 919 and name HB2 )) (( segid " " and resid 920 and name H )) ASSI { 3360} (( segid " " and resid 999 and name HG2 )) (( segid " " and resid 999 and name H )) 3.500 1.500 1.500 peak 3360 spectrum 1 weight 0.10000E+01 volume 0.17297E-02 ppm1 1.359 ppm2 7.749 CV 1 ASSI { 1529} (( segid " " and resid 1005 and name HA )) (( segid " " and resid 1005 and name HG3 )) 2.800 1.000 1.000 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.31471E-02 ppm1 3.777 ppm2 1.617 CV 1 ASSI { 661} ( segid " " and resid 970 and name HG1%) (( segid " " and resid 921 and name HA )) 3.100 3.100 2.900 peak 661 spectrum 1 weight 0.10000E+01 volume 0.61463E-03 ppm1 0.726 ppm2 3.826 CV 1 ASSI { 1229} ( segid " " and resid 970 and name HG1%) (( segid " " and resid 922 and name HD3 )) 2.700 0.900 0.900 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.39464E-02 ppm1 0.727 ppm2 1.587 CV 1 OR { 1229} ( segid " " and resid 970 and name HG1%) (( segid " " and resid 922 and name HD2 )) ASSI { 2343} (( segid " " and resid 1022 and name HG2 )) (( segid " " and resid 1026 and name HD21)) 3.400 1.500 1.500 peak 2343 spectrum 1 weight 0.10000E+01 volume 0.13569E-02 ppm1 2.402 ppm2 7.694 CV 1 OR { 2343} (( segid " " and resid 1022 and name HG3 )) (( segid " " and resid 1026 and name HD21)) ASSI { 1502} (( segid " " and resid 964 and name HB3 )) (( segid " " and resid 965 and name H )) 4.100 2.100 1.900 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.69523E-03 ppm1 2.275 ppm2 6.858 CV 1 ASSI { 1038} (( segid " " and resid 962 and name HA )) (( segid " " and resid 962 and name HB2 )) 2.900 1.000 1.000 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.28582E-02 ppm1 4.367 ppm2 2.720 CV 1 ASSI { 831} (( segid " " and resid 1039 and name HA )) (( segid " " and resid 1039 and name HB3 )) 2.600 0.900 0.900 peak 831 spectrum 1 weight 0.10000E+01 volume 0.63681E-02 ppm1 3.944 ppm2 2.212 CV 1 ASSI { 2220} (( segid " " and resid 1012 and name HB2 )) (( segid " " and resid 1013 and name H )) 3.400 1.400 1.400 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.94377E-03 ppm1 1.920 ppm2 7.547 CV 1 ASSI { 1481} (( segid " " and resid 962 and name HB3 )) ( segid " " and resid 993 and name HE% ) 4.300 2.300 1.700 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.60459E-03 ppm1 2.081 ppm2 6.927 CV 1 ASSI { 2584} ( segid " " and resid 1031 and name HD1%) ( segid " " and resid 1027 and name HD2%) 3.500 1.500 1.500 peak 2584 spectrum 1 weight 0.10000E+01 volume 0.11789E-02 ppm1 0.702 ppm2 0.825 CV 1 ASSI { 2447} (( segid " " and resid 979 and name HA )) (( segid " " and resid 980 and name HG3 )) 4.700 2.700 1.300 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.78928E-03 ppm1 4.928 ppm2 2.118 CV 1 ASSI { 410} (( segid " " and resid 965 and name HB2 )) (( segid " " and resid 965 and name HB3 )) 1.900 0.500 0.500 peak 410 spectrum 1 weight 0.10000E+01 volume 0.76476E-02 ppm1 1.558 ppm2 2.065 CV 1 ASSI { 2863} ( segid " " and resid 946 and name HB% ) (( segid " " and resid 946 and name HA )) 2.200 0.600 0.600 peak 2863 spectrum 1 weight 0.10000E+01 volume 0.12209E-01 ppm1 1.372 ppm2 4.396 CV 1 ASSI { 3264} ( segid " " and resid 913 and name HD2%) (( segid " " and resid 914 and name H )) 4.400 2.400 1.600 peak 3264 spectrum 1 weight 0.10000E+01 volume 0.70868E-03 ppm1 0.785 ppm2 8.005 CV 1 ASSI { 2120} (( segid " " and resid 1033 and name HG3 )) (( segid " " and resid 1034 and name H )) 3.000 1.100 1.100 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.13401E-02 ppm1 2.345 ppm2 8.177 CV 1 OR { 2120} (( segid " " and resid 1033 and name HG2 )) (( segid " " and resid 1034 and name H )) ASSI { 2822} ( segid " " and resid 966 and name HD2%) ( segid " " and resid 1034 and name HD1%) 2.800 0.900 0.900 peak 2822 spectrum 1 weight 0.10000E+01 volume 0.33285E-02 ppm1 0.492 ppm2 0.834 CV 1 ASSI { 2597} ( segid " " and resid 917 and name HD1%) (( segid " " and resid 1038 and name HA )) 2.600 0.800 0.800 peak 2597 spectrum 1 weight 0.10000E+01 volume 0.35199E-02 ppm1 0.700 ppm2 3.983 CV 1 ASSI { 2321} ( segid " " and resid 1032 and name HB% ) (( segid " " and resid 1036 and name H )) 4.000 2.000 2.000 peak 2321 spectrum 1 weight 0.10000E+01 volume 0.57097E-03 ppm1 1.550 ppm2 7.943 CV 1 ASSI { 1236} ( segid " " and resid 951 and name HD2%) (( segid " " and resid 951 and name H )) 3.400 1.500 1.500 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.10345E-02 ppm1 0.798 ppm2 7.924 CV 1 ASSI { 2294} ( segid " " and resid 934 and name HB% ) (( segid " " and resid 1019 and name HB3 )) 3.200 1.300 1.300 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.15148E-02 ppm1 1.516 ppm2 2.129 CV 1 ASSI { 1955} (( segid " " and resid 998 and name HA2 )) (( segid " " and resid 998 and name H )) 2.700 0.900 0.900 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.48197E-02 ppm1 3.929 ppm2 8.274 CV 1 ASSI { 3017} ( segid " " and resid 1037 and name HB% ) (( segid " " and resid 916 and name HD2 )) 3.900 1.900 1.900 peak 3017 spectrum 1 weight 0.10000E+01 volume 0.91023E-03 ppm1 1.322 ppm2 3.130 CV 1 ASSI { 1396} (( segid " " and resid 953 and name HA )) (( segid " " and resid 956 and name HB2 )) 3.100 1.200 1.200 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.16223E-02 ppm1 3.549 ppm2 3.236 CV 1 ASSI { 2270} (( segid " " and resid 937 and name HB2 )) (( segid " " and resid 936 and name H )) 4.300 2.300 1.700 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.62474E-03 ppm1 3.170 ppm2 8.465 CV 1 OR { 2270} (( segid " " and resid 937 and name HB3 )) (( segid " " and resid 936 and name H )) ASSI { 1036} (( segid " " and resid 963 and name HG13)) (( segid " " and resid 963 and name H )) 2.400 0.700 0.700 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.20622E-02 ppm1 2.198 ppm2 7.921 CV 1 ASSI { 1811} (( segid " " and resid 1027 and name HG )) (( segid " " and resid 1027 and name HB2 )) 3.200 1.300 1.300 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.15148E-02 ppm1 1.360 ppm2 1.897 CV 1 ASSI { 3051} (( segid " " and resid 1018 and name HG2 )) (( segid " " and resid 1018 and name HG3 )) 1.700 0.400 0.500 peak 3051 spectrum 1 weight 0.10000E+01 volume 0.18684E-01 ppm1 2.697 ppm2 2.577 CV 1 ASSI { 859} (( segid " " and resid 927 and name HB2 )) (( segid " " and resid 927 and name HB3 )) 1.900 0.400 0.400 peak 859 spectrum 1 weight 0.10000E+01 volume 0.11379E-01 ppm1 3.875 ppm2 3.757 CV 1 ASSI { 561} (( segid " " and resid 942 and name HG2 )) (( segid " " and resid 942 and name HA )) 3.800 1.800 1.800 peak 561 spectrum 1 weight 0.10000E+01 volume 0.11890E-02 ppm1 1.991 ppm2 4.350 CV 1 ASSI { 3343} (( segid " " and resid 1026 and name HA )) (( segid " " and resid 1026 and name HB2 )) 3.000 1.100 1.100 peak 3343 spectrum 1 weight 0.10000E+01 volume 0.27709E-02 ppm1 4.414 ppm2 2.926 CV 1 ASSI { 1187} (( segid " " and resid 955 and name HA )) (( segid " " and resid 956 and name H )) 3.500 1.500 1.500 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.85313E-03 ppm1 4.197 ppm2 8.019 CV 1 ASSI { 2647} ( segid " " and resid 970 and name HG2%) ( segid " " and resid 921 and name HB% ) 2.100 0.500 0.500 peak 2647 spectrum 1 weight 0.10000E+01 volume 0.11917E-01 ppm1 0.917 ppm2 1.170 CV 1 ASSI { 3002} (( segid " " and resid 1034 and name HB3 )) (( segid " " and resid 1034 and name HA )) 3.300 1.300 1.300 peak 3002 spectrum 1 weight 0.10000E+01 volume 0.13502E-02 ppm1 1.225 ppm2 3.960 CV 1 ASSI { 2919} (( segid " " and resid 951 and name HB3 )) (( segid " " and resid 951 and name HA )) 2.700 0.900 0.900 peak 2919 spectrum 1 weight 0.10000E+01 volume 0.27205E-02 ppm1 1.535 ppm2 4.079 CV 1 ASSI { 3502} (( segid " " and resid 1042 and name HB2 )) (( segid " " and resid 1039 and name HA )) 3.200 1.200 1.200 peak 3502 spectrum 1 weight 0.10000E+01 volume 0.13032E-02 ppm1 2.115 ppm2 3.945 CV 1 ASSI { 486} (( segid " " and resid 962 and name HB2 )) ( segid " " and resid 993 and name HD% ) 3.100 1.200 1.200 peak 486 spectrum 1 weight 0.10000E+01 volume 0.15249E-02 ppm1 2.718 ppm2 6.994 CV 1 ASSI { 1644} (( segid " " and resid 1034 and name HA )) ( segid " " and resid 920 and name HB% ) 2.500 0.800 0.800 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.46686E-02 ppm1 3.960 ppm2 1.420 CV 1 ASSI { 2867} ( segid " " and resid 1027 and name HD2%) (( segid " " and resid 1027 and name HA )) 3.900 1.900 1.900 peak 2867 spectrum 1 weight 0.10000E+01 volume 0.15618E-02 ppm1 0.819 ppm2 4.322 CV 1 ASSI { 3198} ( segid " " and resid 1001 and name HG1%) (( segid " " and resid 1001 and name HB )) 2.100 0.600 0.600 peak 3198 spectrum 1 weight 0.10000E+01 volume 0.11050E-01 ppm1 0.886 ppm2 2.154 CV 1 ASSI { 193} ( segid " " and resid 1004 and name HB% ) ( segid " " and resid 1008 and name HG2%) 3.100 1.200 1.200 peak 193 spectrum 1 weight 0.10000E+01 volume 0.14610E-02 ppm1 1.311 ppm2 1.114 CV 1 ASSI { 1315} (( segid " " and resid 919 and name HB2 )) (( segid " " and resid 919 and name HD2 )) 3.200 1.200 1.200 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.15853E-02 ppm1 3.089 ppm2 6.928 CV 1 OR { 1315} (( segid " " and resid 919 and name HB3 )) (( segid " " and resid 919 and name HD2 )) ASSI { 3128} (( segid " " and resid 994 and name HA )) ( segid " " and resid 994 and name HD2%) 2.100 0.500 0.500 peak 3128 spectrum 1 weight 0.10000E+01 volume 0.10613E-01 ppm1 3.812 ppm2 0.923 CV 1 ASSI { 3208} ( segid " " and resid 952 and name HD1%) ( segid " " and resid 1020 and name HD1%) 2.500 0.800 0.800 peak 3208 spectrum 1 weight 0.10000E+01 volume 0.53370E-02 ppm1 0.832 ppm2 0.748 CV 1 ASSI { 2464} (( segid " " and resid 943 and name HE2 )) (( segid " " and resid 943 and name HG3 )) 2.600 0.900 0.900 peak 2464 spectrum 1 weight 0.10000E+01 volume 0.47626E-02 ppm1 2.928 ppm2 1.370 CV 1 OR { 2464} (( segid " " and resid 943 and name HE2 )) (( segid " " and resid 943 and name HG2 )) OR { 2464} (( segid " " and resid 943 and name HE3 )) (( segid " " and resid 943 and name HG2 )) OR { 2464} (( segid " " and resid 943 and name HE3 )) (( segid " " and resid 943 and name HG3 )) ASSI { 3012} (( segid " " and resid 961 and name HA )) (( segid " " and resid 961 and name HG2 )) 3.100 1.200 1.200 peak 3012 spectrum 1 weight 0.10000E+01 volume 0.17835E-02 ppm1 4.067 ppm2 2.435 CV 1 ASSI { 66} ( segid " " and resid 1001 and name HG2%) (( segid " " and resid 1031 and name HG )) 3.400 1.500 1.500 peak 66 spectrum 1 weight 0.10000E+01 volume 0.14980E-02 ppm1 1.020 ppm2 2.014 CV 1 OR { 66} ( segid " " and resid 1001 and name HG2%) (( segid " " and resid 1031 and name HB2 )) ASSI { 1465} ( segid " " and resid 932 and name HD1%) (( segid " " and resid 932 and name HG13)) 2.100 0.600 0.600 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.98072E-02 ppm1 0.827 ppm2 1.821 CV 1 ASSI { 2303} (( segid " " and resid 964 and name HA )) (( segid " " and resid 964 and name HB2 )) 2.900 1.000 1.000 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.38189E-02 ppm1 4.241 ppm2 1.731 CV 1 ASSI { 814} ( segid " " and resid 959 and name HG1%) (( segid " " and resid 929 and name H )) 4.200 2.200 1.800 peak 814 spectrum 1 weight 0.10000E+01 volume 0.76243E-03 ppm1 0.853 ppm2 8.357 CV 1 ASSI { 401} ( segid " " and resid 934 and name HB% ) (( segid " " and resid 934 and name HA )) 2.200 0.600 0.600 peak 401 spectrum 1 weight 0.10000E+01 volume 0.11530E-01 ppm1 1.518 ppm2 4.147 CV 1 ASSI { 1372} (( segid " " and resid 1009 and name HB3 )) (( segid " " and resid 1009 and name HD3 )) 2.900 1.100 1.100 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.22167E-02 ppm1 2.354 ppm2 3.577 CV 1 OR { 1372} (( segid " " and resid 1009 and name HB3 )) (( segid " " and resid 1009 and name HD2 )) ASSI { 447} (( segid " " and resid 995 and name HA )) ( segid " " and resid 994 and name HD2%) 4.300 2.300 1.700 peak 447 spectrum 1 weight 0.10000E+01 volume 0.60118E-03 ppm1 4.300 ppm2 0.932 CV 1 ASSI { 2935} (( segid " " and resid 914 and name HA )) (( segid " " and resid 918 and name H )) 3.800 1.800 1.800 peak 2935 spectrum 1 weight 0.10000E+01 volume 0.63143E-03 ppm1 3.464 ppm2 8.751 CV 1 ASSI { 2566} (( segid " " and resid 937 and name HB2 )) (( segid " " and resid 937 and name H )) 2.400 0.700 0.700 peak 2566 spectrum 1 weight 0.10000E+01 volume 0.65427E-02 ppm1 3.171 ppm2 7.934 CV 1 OR { 2566} (( segid " " and resid 937 and name HB3 )) (( segid " " and resid 937 and name H )) ASSI { 676} (( segid " " and resid 987 and name HA )) (( segid " " and resid 990 and name HG )) 3.100 1.200 1.200 peak 676 spectrum 1 weight 0.10000E+01 volume 0.15215E-02 ppm1 3.361 ppm2 3.585 CV 1 ASSI { 2030} (( segid " " and resid 918 and name HA )) (( segid " " and resid 918 and name HG2 )) 2.800 1.000 1.000 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.19782E-02 ppm1 3.643 ppm2 1.935 CV 1 ASSI { 819} (( segid " " and resid 972 and name HA3 )) (( segid " " and resid 973 and name H )) 3.000 1.100 1.100 peak 819 spectrum 1 weight 0.10000E+01 volume 0.21798E-02 ppm1 3.804 ppm2 7.291 CV 1 OR { 819} (( segid " " and resid 972 and name HA2 )) (( segid " " and resid 973 and name H )) ASSI { 2481} (( segid " " and resid 1000 and name HB3 )) (( segid " " and resid 1001 and name H )) 3.100 1.200 1.200 peak 2481 spectrum 1 weight 0.10000E+01 volume 0.84972E-03 ppm1 2.307 ppm2 7.922 CV 1 ASSI { 484} (( segid " " and resid 922 and name HA )) (( segid " " and resid 922 and name HG3 )) 3.200 1.300 1.300 peak 484 spectrum 1 weight 0.10000E+01 volume 0.19481E-02 ppm1 3.691 ppm2 1.635 CV 1 ASSI { 2287} (( segid " " and resid 1033 and name HG2 )) (( segid " " and resid 1033 and name HB2 )) 2.300 0.700 0.700 peak 2287 spectrum 1 weight 0.10000E+01 volume 0.76644E-02 ppm1 2.346 ppm2 2.080 CV 1 OR { 2287} (( segid " " and resid 1033 and name HG3 )) (( segid " " and resid 1033 and name HB2 )) ASSI { 1437} ( segid " " and resid 966 and name HD1%) (( segid " " and resid 966 and name HA )) 3.500 1.500 1.500 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.23343E-02 ppm1 -0.046 ppm2 3.889 CV 1 ASSI { 3010} ( segid " " and resid 1036 and name HG2%) (( segid " " and resid 1039 and name HB3 )) 3.700 1.700 1.700 peak 3010 spectrum 1 weight 0.10000E+01 volume 0.59113E-03 ppm1 1.195 ppm2 2.228 CV 1 ASSI { 877} (( segid " " and resid 910 and name HD3 )) (( segid " " and resid 910 and name HB2 )) 4.100 2.100 1.900 peak 877 spectrum 1 weight 0.10000E+01 volume 0.10849E-02 ppm1 3.689 ppm2 2.106 CV 1 ASSI { 191} ( segid " " and resid 913 and name HD2%) (( segid " " and resid 916 and name HD2 )) 3.300 1.300 1.300 peak 191 spectrum 1 weight 0.10000E+01 volume 0.12091E-02 ppm1 0.785 ppm2 3.129 CV 1 ASSI { 2150} (( segid " " and resid 947 and name HA3 )) (( segid " " and resid 948 and name HG3 )) 4.400 2.400 1.600 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.86318E-03 ppm1 4.019 ppm2 1.919 CV 1 OR { 2150} (( segid " " and resid 947 and name HA3 )) (( segid " " and resid 948 and name HG2 )) ASSI { 2194} ( segid " " and resid 965 and name HD1%) (( segid " " and resid 965 and name HB3 )) 2.400 0.700 0.700 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.82826E-02 ppm1 0.938 ppm2 2.066 CV 1 ASSI { 64} (( segid " " and resid 956 and name HB2 )) ( segid " " and resid 932 and name HG2%) 3.300 1.400 1.400 peak 64 spectrum 1 weight 0.10000E+01 volume 0.10479E-02 ppm1 3.235 ppm2 0.840 CV 1 OR { 64} (( segid " " and resid 956 and name HB2 )) ( segid " " and resid 932 and name HD1%) ASSI { 2553} (( segid " " and resid 962 and name HB3 )) (( segid " " and resid 962 and name HA )) 2.800 1.000 1.000 peak 2553 spectrum 1 weight 0.10000E+01 volume 0.15383E-02 ppm1 2.084 ppm2 4.369 CV 1 ASSI { 2643} (( segid " " and resid 943 and name HA )) (( segid " " and resid 943 and name HD3 )) 3.600 1.600 1.600 peak 2643 spectrum 1 weight 0.10000E+01 volume 0.12192E-02 ppm1 4.251 ppm2 1.616 CV 1 OR { 2643} (( segid " " and resid 943 and name HA )) (( segid " " and resid 943 and name HD2 )) ASSI { 2298} (( segid " " and resid 966 and name HB3 )) ( segid " " and resid 967 and name HG2%) 3.700 1.700 1.700 peak 2298 spectrum 1 weight 0.10000E+01 volume 0.10949E-02 ppm1 1.594 ppm2 0.842 CV 1 ASSI { 253} ( segid " " and resid 932 and name HG2%) (( segid " " and resid 936 and name HG2 )) 3.000 1.200 1.200 peak 253 spectrum 1 weight 0.10000E+01 volume 0.30329E-02 ppm1 0.849 ppm2 2.539 CV 1 ASSI { 615} ( segid " " and resid 925 and name HB% ) ( segid " " and resid 928 and name HB% ) 3.500 1.500 1.500 peak 615 spectrum 1 weight 0.10000E+01 volume 0.20857E-02 ppm1 1.231 ppm2 1.644 CV 1 ASSI { 2801} (( segid " " and resid 949 and name HA )) (( segid " " and resid 949 and name H )) 3.000 1.200 1.200 peak 2801 spectrum 1 weight 0.10000E+01 volume 0.14778E-02 ppm1 4.430 ppm2 8.587 CV 1 ASSI { 2338} (( segid " " and resid 1042 and name HB2 )) (( segid " " and resid 1042 and name HG3 )) 2.500 0.800 0.800 peak 2338 spectrum 1 weight 0.10000E+01 volume 0.29288E-02 ppm1 2.115 ppm2 2.336 CV 1 ASSI { 731} (( segid " " and resid 976 and name HA )) (( segid " " and resid 976 and name HG3 )) 3.100 1.200 1.200 peak 731 spectrum 1 weight 0.10000E+01 volume 0.27340E-02 ppm1 4.786 ppm2 2.187 CV 1 ASSI { 2002} (( segid " " and resid 962 and name HG2 )) (( segid " " and resid 996 and name HG2 )) 4.300 2.400 1.700 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.84972E-03 ppm1 2.482 ppm2 1.922 CV 1 ASSI { 1537} ( segid " " and resid 970 and name HG2%) (( segid " " and resid 973 and name HB3 )) 3.800 1.800 1.800 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.10210E-02 ppm1 0.917 ppm2 3.951 CV 1 ASSI { 3289} (( segid " " and resid 996 and name HB3 )) ( segid " " and resid 959 and name HG2%) 3.400 1.400 1.400 peak 3289 spectrum 1 weight 0.10000E+01 volume 0.32344E-02 ppm1 1.419 ppm2 0.750 CV 1 ASSI { 3191} ( segid " " and resid 1001 and name HG1%) ( segid " " and resid 1001 and name HG2%) 2.100 0.600 0.600 peak 3191 spectrum 1 weight 0.10000E+01 volume 0.12216E-01 ppm1 0.885 ppm2 1.023 CV 1 ASSI { 422} (( segid " " and resid 995 and name HA )) (( segid " " and resid 995 and name HB3 )) 2.200 0.600 0.600 peak 422 spectrum 1 weight 0.10000E+01 volume 0.94718E-02 ppm1 4.302 ppm2 2.163 CV 1 OR { 422} (( segid " " and resid 995 and name HA )) (( segid " " and resid 995 and name HB2 )) ASSI { 277} (( segid " " and resid 939 and name HA )) (( segid " " and resid 939 and name H )) 2.600 0.900 0.900 peak 277 spectrum 1 weight 0.10000E+01 volume 0.42353E-02 ppm1 4.175 ppm2 7.808 CV 1 ASSI { 1049} (( segid " " and resid 953 and name HA )) (( segid " " and resid 954 and name H )) 3.200 1.300 1.300 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.12662E-02 ppm1 3.550 ppm2 8.190 CV 1 ASSI { 726} (( segid " " and resid 959 and name HB )) (( segid " " and resid 956 and name HA )) 2.800 0.900 0.900 peak 726 spectrum 1 weight 0.10000E+01 volume 0.22873E-02 ppm1 2.053 ppm2 4.240 CV 1 ASSI { 799} (( segid " " and resid 915 and name HB3 )) (( segid " " and resid 915 and name HB2 )) 2.100 0.600 0.600 peak 799 spectrum 1 weight 0.10000E+01 volume 0.47828E-02 ppm1 1.737 ppm2 2.098 CV 1 ASSI { 3528} (( segid " " and resid 1035 and name HA )) (( segid " " and resid 1035 and name H )) 2.600 0.900 0.900 peak 3528 spectrum 1 weight 0.10000E+01 volume 0.31337E-02 ppm1 3.803 ppm2 8.524 CV 1 ASSI { 2190} (( segid " " and resid 1026 and name HA )) (( segid " " and resid 1026 and name HB3 )) 2.600 0.800 0.800 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.36073E-02 ppm1 4.415 ppm2 2.857 CV 1 ASSI { 1033} (( segid " " and resid 996 and name HD3 )) (( segid " " and resid 995 and name HG2 )) 4.000 2.000 2.000 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.72213E-03 ppm1 3.489 ppm2 2.291 CV 1 ASSI { 657} (( segid " " and resid 927 and name HB2 )) ( segid " " and resid 1030 and name HB% ) 3.000 1.200 1.200 peak 657 spectrum 1 weight 0.10000E+01 volume 0.20421E-02 ppm1 3.876 ppm2 1.506 CV 1 ASSI { 3064} ( segid " " and resid 1003 and name HB% ) (( segid " " and resid 1004 and name H )) 2.600 0.900 0.900 peak 3064 spectrum 1 weight 0.10000E+01 volume 0.44368E-02 ppm1 1.331 ppm2 8.810 CV 1 ASSI { 622} ( segid " " and resid 1038 and name HB% ) (( segid " " and resid 1035 and name HA )) 2.700 0.900 0.900 peak 622 spectrum 1 weight 0.10000E+01 volume 0.28011E-02 ppm1 1.395 ppm2 3.805 CV 1 ASSI { 2257} ( segid " " and resid 1027 and name HD2%) (( segid " " and resid 931 and name H )) 3.100 1.200 1.200 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.70198E-03 ppm1 0.822 ppm2 8.047 CV 1 ASSI { 2534} (( segid " " and resid 986 and name HB3 )) (( segid " " and resid 986 and name HA )) 3.100 1.200 1.200 peak 2534 spectrum 1 weight 0.10000E+01 volume 0.15551E-02 ppm1 1.373 ppm2 4.041 CV 1 ASSI { 1951} ( segid " " and resid 963 and name HG2%) (( segid " " and resid 993 and name HZ )) 4.400 2.400 1.600 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.46350E-03 ppm1 0.848 ppm2 6.771 CV 1 ASSI { 3081} (( segid " " and resid 987 and name HA )) (( segid " " and resid 990 and name H )) 3.300 1.400 1.400 peak 3081 spectrum 1 weight 0.10000E+01 volume 0.97068E-03 ppm1 3.361 ppm2 8.114 CV 1 ASSI { 666} (( segid " " and resid 999 and name HE2 )) (( segid " " and resid 995 and name HG2 )) 3.500 1.500 1.500 peak 666 spectrum 1 weight 0.10000E+01 volume 0.67508E-03 ppm1 2.833 ppm2 2.293 CV 1 OR { 666} (( segid " " and resid 999 and name HE3 )) (( segid " " and resid 995 and name HG2 )) ASSI { 3037} ( segid " " and resid 970 and name HG2%) ( segid " " and resid 925 and name HB% ) 2.900 1.100 1.100 peak 3037 spectrum 1 weight 0.10000E+01 volume 0.99083E-03 ppm1 0.916 ppm2 1.245 CV 1 ASSI { 2440} ( segid " " and resid 917 and name HD2%) (( segid " " and resid 990 and name H )) 3.500 1.500 1.500 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.83633E-03 ppm1 0.854 ppm2 8.117 CV 1 ASSI { 3516} (( segid " " and resid 970 and name HA )) (( segid " " and resid 970 and name HB )) 3.000 1.100 1.100 peak 3516 spectrum 1 weight 0.10000E+01 volume 0.18675E-02 ppm1 3.439 ppm2 2.185 CV 1 ASSI { 1941} (( segid " " and resid 968 and name HB2 )) (( segid " " and resid 968 and name H )) 2.400 0.700 0.700 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.48634E-02 ppm1 2.146 ppm2 8.196 CV 1 ASSI { 2882} (( segid " " and resid 991 and name HB3 )) ( segid " " and resid 994 and name HD1%) 4.000 2.000 2.000 peak 2882 spectrum 1 weight 0.10000E+01 volume 0.87998E-03 ppm1 2.003 ppm2 0.931 CV 1 ASSI { 1204} (( segid " " and resid 958 and name HA )) (( segid " " and resid 961 and name H )) 3.100 1.200 1.200 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.14073E-02 ppm1 4.152 ppm2 7.461 CV 1 ASSI { 2087} (( segid " " and resid 976 and name HG3 )) ( segid " " and resid 975 and name HB% ) 2.900 1.000 1.000 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.27877E-02 ppm1 2.217 ppm2 1.459 CV 1 OR { 2087} (( segid " " and resid 976 and name HG2 )) ( segid " " and resid 975 and name HB% ) ASSI { 1482} (( segid " " and resid 1009 and name HB2 )) (( segid " " and resid 1009 and name HB3 )) 1.800 0.400 0.400 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.13626E-01 ppm1 1.790 ppm2 2.352 CV 1 ASSI { 1551} ( segid " " and resid 970 and name HG1%) (( segid " " and resid 922 and name HG3 )) 2.600 0.800 0.800 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.33318E-02 ppm1 0.727 ppm2 1.632 CV 1 ASSI { 3187} (( segid " " and resid 996 and name HD2 )) (( segid " " and resid 995 and name HB2 )) 3.200 1.300 1.300 peak 3187 spectrum 1 weight 0.10000E+01 volume 0.41077E-02 ppm1 4.061 ppm2 2.162 CV 1 OR { 3187} (( segid " " and resid 996 and name HD2 )) (( segid " " and resid 995 and name HB3 )) ASSI { 1176} (( segid " " and resid 1005 and name HA )) (( segid " " and resid 1005 and name HB3 )) 2.300 0.700 0.700 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.68483E-02 ppm1 3.777 ppm2 1.794 CV 1 OR { 1176} (( segid " " and resid 1005 and name HA )) (( segid " " and resid 1005 and name HB2 )) ASSI { 2335} (( segid " " and resid 987 and name HB )) ( segid " " and resid 988 and name HB% ) 4.000 2.000 2.000 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.69864E-03 ppm1 1.868 ppm2 1.441 CV 1 ASSI { 2906} (( segid " " and resid 923 and name HG2 )) (( segid " " and resid 923 and name HE21)) 2.800 1.000 1.000 peak 2906 spectrum 1 weight 0.10000E+01 volume 0.18405E-02 ppm1 2.205 ppm2 7.438 CV 1 ASSI { 162} (( segid " " and resid 1033 and name HG2 )) (( segid " " and resid 1033 and name H )) 2.300 0.700 0.700 peak 162 spectrum 1 weight 0.10000E+01 volume 0.50582E-02 ppm1 2.346 ppm2 7.834 CV 1 OR { 162} (( segid " " and resid 1033 and name HG3 )) (( segid " " and resid 1033 and name H )) ASSI { 954} (( segid " " and resid 948 and name HD2 )) (( segid " " and resid 948 and name HB2 )) 3.600 1.600 1.600 peak 954 spectrum 1 weight 0.10000E+01 volume 0.11050E-02 ppm1 3.627 ppm2 2.164 CV 1 ASSI { 407} ( segid " " and resid 928 and name HB% ) (( segid " " and resid 1027 and name HG )) 4.400 2.500 1.600 peak 407 spectrum 1 weight 0.10000E+01 volume 0.58442E-03 ppm1 1.647 ppm2 1.353 CV 1 ASSI { 1897} ( segid " " and resid 1027 and name HD2%) (( segid " " and resid 1027 and name H )) 4.000 2.000 2.000 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.15215E-02 ppm1 0.820 ppm2 8.801 CV 1 ASSI { 2812} ( segid " " and resid 925 and name HB% ) (( segid " " and resid 967 and name H )) 3.300 1.300 1.300 peak 2812 spectrum 1 weight 0.10000E+01 volume 0.16290E-02 ppm1 1.231 ppm2 8.222 CV 1 ASSI { 1700} (( segid " " and resid 964 and name HD2 )) (( segid " " and resid 963 and name H )) 2.500 0.800 0.800 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.31236E-02 ppm1 3.667 ppm2 7.921 CV 1 OR { 1700} (( segid " " and resid 964 and name HD3 )) (( segid " " and resid 963 and name H )) ASSI { 643} (( segid " " and resid 916 and name HA )) ( segid " " and resid 1037 and name HB% ) 3.300 1.300 1.300 peak 643 spectrum 1 weight 0.10000E+01 volume 0.21126E-02 ppm1 3.932 ppm2 1.322 CV 1 ASSI { 3405} (( segid " " and resid 974 and name HG2 )) (( segid " " and resid 974 and name H )) 3.000 1.100 1.100 peak 3405 spectrum 1 weight 0.10000E+01 volume 0.28986E-02 ppm1 2.478 ppm2 8.177 CV 1 ASSI { 1930} (( segid " " and resid 976 and name HA )) (( segid " " and resid 977 and name HD3 )) 2.500 0.800 0.800 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.62773E-02 ppm1 4.784 ppm2 3.533 CV 1 ASSI { 639} ( segid " " and resid 959 and name HG2%) (( segid " " and resid 959 and name HB )) 2.200 0.600 0.600 peak 639 spectrum 1 weight 0.10000E+01 volume 0.84805E-02 ppm1 0.751 ppm2 2.056 CV 1 ASSI { 3004} (( segid " " and resid 918 and name HB3 )) (( segid " " and resid 918 and name HB2 )) 2.200 0.600 0.600 peak 3004 spectrum 1 weight 0.10000E+01 volume 0.36711E-02 ppm1 1.707 ppm2 2.345 CV 1 ASSI { 2045} ( segid " " and resid 914 and name HG1%) (( segid " " and resid 914 and name HA )) 2.300 0.700 0.700 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.90013E-02 ppm1 0.903 ppm2 3.465 CV 1 ASSI { 49} ( segid " " and resid 1030 and name HB% ) (( segid " " and resid 1030 and name HA )) 2.200 0.600 0.600 peak 49 spectrum 1 weight 0.10000E+01 volume 0.10140E-01 ppm1 1.506 ppm2 4.150 CV 1 ASSI { 3511} (( segid " " and resid 962 and name HG3 )) (( segid " " and resid 962 and name HE22)) 3.800 1.800 1.800 peak 3511 spectrum 1 weight 0.10000E+01 volume 0.11923E-02 ppm1 2.403 ppm2 6.606 CV 1 ASSI { 244} (( segid " " and resid 930 and name HA )) (( segid " " and resid 930 and name HG3 )) 3.100 1.200 1.200 peak 244 spectrum 1 weight 0.10000E+01 volume 0.29254E-02 ppm1 4.112 ppm2 2.445 CV 1 ASSI { 403} (( segid " " and resid 1031 and name HB2 )) (( segid " " and resid 1031 and name H )) 2.800 1.000 1.000 peak 403 spectrum 1 weight 0.10000E+01 volume 0.15215E-02 ppm1 2.023 ppm2 9.205 CV 1 ASSI { 2513} ( segid " " and resid 914 and name HG2%) (( segid " " and resid 915 and name H )) 3.000 1.100 1.100 peak 2513 spectrum 1 weight 0.10000E+01 volume 0.20186E-02 ppm1 0.799 ppm2 7.788 CV 1 ASSI { 2873} (( segid " " and resid 980 and name HD3 )) (( segid " " and resid 980 and name HG2 )) 3.300 1.300 1.300 peak 2873 spectrum 1 weight 0.10000E+01 volume 0.20454E-02 ppm1 3.987 ppm2 1.988 CV 1 ASSI { 2542} (( segid " " and resid 1018 and name HA )) (( segid " " and resid 1018 and name HB2 )) 2.900 1.000 1.000 peak 2542 spectrum 1 weight 0.10000E+01 volume 0.37180E-02 ppm1 4.187 ppm2 2.180 CV 1 ASSI { 1286} (( segid " " and resid 1014 and name HB3 )) ( segid " " and resid 1015 and name HB% ) 3.700 1.700 1.700 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.12024E-02 ppm1 2.065 ppm2 1.443 CV 1 OR { 1286} (( segid " " and resid 1014 and name HB2 )) ( segid " " and resid 1015 and name HB% ) ASSI { 352} ( segid " " and resid 1031 and name HD1%) ( segid " " and resid 1031 and name HD2%) 2.200 0.600 0.600 peak 352 spectrum 1 weight 0.10000E+01 volume 0.10882E-01 ppm1 0.702 ppm2 0.940 CV 1 ASSI { 3119} (( segid " " and resid 927 and name HB3 )) ( segid " " and resid 1027 and name HD2%) 4.000 2.000 2.000 peak 3119 spectrum 1 weight 0.10000E+01 volume 0.77248E-03 ppm1 3.759 ppm2 0.823 CV 1 ASSI { 1100} (( segid " " and resid 993 and name HB3 )) (( segid " " and resid 993 and name HA )) 3.100 1.200 1.200 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.19379E-02 ppm1 2.961 ppm2 4.047 CV 1 ASSI { 713} (( segid " " and resid 916 and name HD2 )) (( segid " " and resid 916 and name HB3 )) 2.900 1.000 1.000 peak 713 spectrum 1 weight 0.10000E+01 volume 0.26265E-02 ppm1 3.131 ppm2 1.850 CV 1 OR { 713} (( segid " " and resid 916 and name HD2 )) (( segid " " and resid 916 and name HB2 )) ASSI { 364} ( segid " " and resid 1031 and name HD1%) (( segid " " and resid 1031 and name HB3 )) 2.700 0.900 0.900 peak 364 spectrum 1 weight 0.10000E+01 volume 0.36778E-02 ppm1 0.702 ppm2 1.462 CV 1 ASSI { 2124} ( segid " " and resid 1011 and name HG2%) ( segid " " and resid 1011 and name HD1%) 2.200 0.600 0.600 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.93504E-02 ppm1 0.950 ppm2 0.609 CV 1 ASSI { 3304} ( segid " " and resid 1001 and name HG2%) (( segid " " and resid 1027 and name HG )) 2.200 0.600 0.600 peak 3304 spectrum 1 weight 0.10000E+01 volume 0.66133E-02 ppm1 1.021 ppm2 1.359 CV 1 OR { 3304} ( segid " " and resid 1001 and name HG2%) (( segid " " and resid 1027 and name HB3 )) ASSI { 2441} ( segid " " and resid 966 and name HD2%) ( segid " " and resid 989 and name HB% ) 2.400 0.700 0.700 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.69158E-02 ppm1 0.490 ppm2 1.398 CV 1 ASSI { 267} ( segid " " and resid 970 and name HG2%) (( segid " " and resid 967 and name H )) 3.500 1.600 1.600 peak 267 spectrum 1 weight 0.10000E+01 volume 0.89678E-03 ppm1 0.917 ppm2 8.210 CV 1 ASSI { 1150} ( segid " " and resid 1008 and name HG1%) ( segid " " and resid 1008 and name HG2%) 2.100 0.500 0.500 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.16243E-01 ppm1 0.898 ppm2 1.102 CV 1 ASSI { 2771} (( segid " " and resid 1022 and name HA )) (( segid " " and resid 1022 and name H )) 2.500 0.800 0.800 peak 2771 spectrum 1 weight 0.10000E+01 volume 0.53672E-02 ppm1 3.996 ppm2 8.389 CV 1 ASSI { 3111} ( segid " " and resid 1032 and name HB% ) (( segid " " and resid 1033 and name HG2 )) 3.900 1.900 1.900 peak 3111 spectrum 1 weight 0.10000E+01 volume 0.15685E-02 ppm1 1.550 ppm2 2.343 CV 1 OR { 3111} ( segid " " and resid 1032 and name HB% ) (( segid " " and resid 1033 and name HG3 )) ASSI { 3486} ( segid " " and resid 1002 and name HB% ) (( segid " " and resid 1002 and name HA )) 2.000 0.500 0.500 peak 3486 spectrum 1 weight 0.10000E+01 volume 0.21831E-01 ppm1 1.411 ppm2 3.994 CV 1 ASSI { 3355} ( segid " " and resid 914 and name HG2%) (( segid " " and resid 918 and name HG3 )) 2.800 1.000 1.000 peak 3355 spectrum 1 weight 0.10000E+01 volume 0.23477E-02 ppm1 0.798 ppm2 2.440 CV 1 ASSI { 2075} (( segid " " and resid 1040 and name HD3 )) ( segid " " and resid 1036 and name HG2%) 3.200 1.300 1.300 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.26735E-02 ppm1 1.574 ppm2 1.196 CV 1 OR { 2075} (( segid " " and resid 1040 and name HD2 )) ( segid " " and resid 1036 and name HG2%) ASSI { 3061} (( segid " " and resid 977 and name HB2 )) (( segid " " and resid 978 and name H )) 3.600 1.600 1.600 peak 3061 spectrum 1 weight 0.10000E+01 volume 0.66838E-03 ppm1 2.273 ppm2 8.368 CV 1 ASSI { 1575} (( segid " " and resid 976 and name HA )) (( segid " " and resid 976 and name HB3 )) 2.600 0.900 0.900 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.21663E-02 ppm1 4.787 ppm2 2.033 CV 1 ASSI { 2558} ( segid " " and resid 928 and name HB% ) ( segid " " and resid 993 and name HE% ) 3.000 1.100 1.100 peak 2558 spectrum 1 weight 0.10000E+01 volume 0.40842E-02 ppm1 1.648 ppm2 6.923 CV 1 ASSI { 1191} (( segid " " and resid 998 and name HA3 )) (( segid " " and resid 999 and name H )) 3.000 1.100 1.100 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.14846E-02 ppm1 3.643 ppm2 7.749 CV 1 ASSI { 2669} ( segid " " and resid 959 and name HG1%) ( segid " " and resid 960 and name HB% ) 3.700 1.700 1.700 peak 2669 spectrum 1 weight 0.10000E+01 volume 0.14174E-02 ppm1 0.848 ppm2 1.495 CV 1 ASSI { 189} (( segid " " and resid 980 and name HD2 )) (( segid " " and resid 981 and name H )) 3.300 1.400 1.400 peak 189 spectrum 1 weight 0.10000E+01 volume 0.63813E-03 ppm1 4.235 ppm2 7.896 CV 1 ASSI { 705} (( segid " " and resid 1040 and name HG3 )) (( segid " " and resid 1040 and name HB2 )) 2.700 0.900 0.900 peak 705 spectrum 1 weight 0.10000E+01 volume 0.19447E-02 ppm1 1.505 ppm2 1.734 CV 1 ASSI { 3424} ( segid " " and resid 1032 and name HB% ) (( segid " " and resid 1032 and name HA )) 2.000 0.500 0.500 peak 3424 spectrum 1 weight 0.10000E+01 volume 0.16646E-01 ppm1 1.551 ppm2 4.137 CV 1 ASSI { 311} (( segid " " and resid 962 and name HG3 )) (( segid " " and resid 959 and name HA )) 3.500 1.600 1.600 peak 311 spectrum 1 weight 0.10000E+01 volume 0.91693E-03 ppm1 2.399 ppm2 3.390 CV 1 ASSI { 181} ( segid " " and resid 921 and name HB% ) (( segid " " and resid 970 and name HA )) 4.000 2.000 2.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.84638E-03 ppm1 1.171 ppm2 3.430 CV 1 ASSI { 940} (( segid " " and resid 911 and name HB2 )) (( segid " " and resid 915 and name HB2 )) 3.500 1.500 1.500 peak 940 spectrum 1 weight 0.10000E+01 volume 0.13536E-02 ppm1 3.134 ppm2 2.100 CV 1 ASSI { 1013} (( segid " " and resid 1043 and name HG3 )) (( segid " " and resid 1041 and name H )) 4.200 2.200 1.800 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.61798E-03 ppm1 2.435 ppm2 7.614 CV 1 ASSI { 1318} ( segid " " and resid 1031 and name HD1%) (( segid " " and resid 1001 and name H )) 3.100 1.200 1.200 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.65158E-03 ppm1 0.704 ppm2 7.923 CV 1 ASSI { 2033} (( segid " " and resid 1018 and name HG2 )) (( segid " " and resid 1018 and name HB2 )) 2.500 0.800 0.800 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.51287E-02 ppm1 2.698 ppm2 2.179 CV 1 ASSI { 1024} ( segid " " and resid 1027 and name HD2%) (( segid " " and resid 1024 and name HA )) 3.200 1.300 1.300 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.15114E-02 ppm1 0.821 ppm2 3.925 CV 1 ASSI { 708} ( segid " " and resid 914 and name HG1%) (( segid " " and resid 915 and name HB2 )) 4.200 2.200 1.800 peak 708 spectrum 1 weight 0.10000E+01 volume 0.75908E-03 ppm1 0.905 ppm2 2.110 CV 1 ASSI { 2705} ( segid " " and resid 1000 and name HE% ) (( segid " " and resid 932 and name HA )) 2.900 1.100 1.100 peak 2705 spectrum 1 weight 0.10000E+01 volume 0.31840E-02 ppm1 1.974 ppm2 3.701 CV 1 ASSI { 1815} (( segid " " and resid 910 and name HD3 )) (( segid " " and resid 911 and name H )) 3.600 1.600 1.600 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.11957E-02 ppm1 3.688 ppm2 8.108 CV 1 ASSI { 22} ( segid " " and resid 1004 and name HB% ) (( segid " " and resid 1005 and name HG3 )) 3.200 1.300 1.300 peak 22 spectrum 1 weight 0.10000E+01 volume 0.12965E-02 ppm1 1.273 ppm2 1.642 CV 1 ASSI { 2083} ( segid " " and resid 970 and name HG2%) ( segid " " and resid 966 and name HD1%) 3.600 1.600 1.600 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.10311E-02 ppm1 0.916 ppm2 -0.046 CV 1 ASSI { 1669} ( segid " " and resid 1020 and name HD1%) (( segid " " and resid 935 and name H )) 4.100 2.100 1.900 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.45006E-03 ppm1 0.756 ppm2 8.799 CV 1 ASSI { 2838} (( segid " " and resid 986 and name HA )) ( segid " " and resid 986 and name HD2%) 2.500 0.800 0.800 peak 2838 spectrum 1 weight 0.10000E+01 volume 0.53874E-02 ppm1 4.040 ppm2 0.674 CV 1 ASSI { 1189} ( segid " " and resid 1003 and name HB% ) (( segid " " and resid 1000 and name HA )) 2.400 0.700 0.700 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.48264E-02 ppm1 1.331 ppm2 4.216 CV 1 ASSI { 103} (( segid " " and resid 1025 and name HD2 )) (( segid " " and resid 1025 and name HB3 )) 2.700 0.900 0.900 peak 103 spectrum 1 weight 0.10000E+01 volume 0.35401E-02 ppm1 1.617 ppm2 1.909 CV 1 OR { 103} (( segid " " and resid 1025 and name HD2 )) (( segid " " and resid 1025 and name HB2 )) OR { 103} (( segid " " and resid 1025 and name HD3 )) (( segid " " and resid 1025 and name HB3 )) OR { 103} (( segid " " and resid 1025 and name HD3 )) (( segid " " and resid 1025 and name HB2 )) ASSI { 2140} ( segid " " and resid 967 and name HG2%) ( segid " " and resid 966 and name HD1%) 2.800 1.000 1.000 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.11755E-02 ppm1 0.847 ppm2 -0.049 CV 1 ASSI { 890} ( segid " " and resid 1027 and name HD1%) (( segid " " and resid 1001 and name H )) 4.600 2.600 1.400 peak 890 spectrum 1 weight 0.10000E+01 volume 0.62474E-03 ppm1 0.935 ppm2 7.921 CV 1 ASSI { 1916} (( segid " " and resid 986 and name HB3 )) (( segid " " and resid 986 and name HB2 )) 2.300 0.700 0.700 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.25392E-02 ppm1 1.373 ppm2 2.100 CV 1 ASSI { 506} (( segid " " and resid 922 and name HE3 )) (( segid " " and resid 922 and name H )) 3.800 1.800 1.800 peak 506 spectrum 1 weight 0.10000E+01 volume 0.82957E-03 ppm1 2.820 ppm2 8.134 CV 1 OR { 506} (( segid " " and resid 922 and name HE2 )) (( segid " " and resid 922 and name H )) ASSI { 862} (( segid " " and resid 1011 and name HA )) (( segid " " and resid 1012 and name HB2 )) 4.000 2.000 2.000 peak 862 spectrum 1 weight 0.10000E+01 volume 0.82288E-03 ppm1 3.961 ppm2 1.918 CV 1 ASSI { 2422} (( segid " " and resid 1004 and name HA )) (( segid " " and resid 1007 and name H )) 3.100 1.200 1.200 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.11823E-02 ppm1 3.866 ppm2 7.633 CV 1 ASSI { 1655} (( segid " " and resid 1033 and name HB3 )) (( segid " " and resid 1033 and name H )) 2.700 0.900 0.900 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.24350E-02 ppm1 1.945 ppm2 7.833 CV 1 ASSI { 345} (( segid " " and resid 974 and name HG3 )) (( segid " " and resid 974 and name HB2 )) 2.600 0.900 0.900 peak 345 spectrum 1 weight 0.10000E+01 volume 0.23914E-02 ppm1 2.272 ppm2 1.836 CV 1 ASSI { 3266} (( segid " " and resid 954 and name HG3 )) (( segid " " and resid 951 and name HA )) 3.700 1.700 1.700 peak 3266 spectrum 1 weight 0.10000E+01 volume 0.70533E-03 ppm1 2.356 ppm2 4.076 CV 1 ASSI { 1518} (( segid " " and resid 978 and name HA )) (( segid " " and resid 978 and name HB3 )) 2.500 0.800 0.800 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.54344E-02 ppm1 4.600 ppm2 2.642 CV 1 ASSI { 952} (( segid " " and resid 919 and name HB3 )) ( segid " " and resid 920 and name HB% ) 3.900 1.900 1.900 peak 952 spectrum 1 weight 0.10000E+01 volume 0.85648E-03 ppm1 3.088 ppm2 1.420 CV 1 OR { 952} (( segid " " and resid 919 and name HB2 )) ( segid " " and resid 920 and name HB% ) ASSI { 337} (( segid " " and resid 908 and name HB )) ( segid " " and resid 908 and name HG2%) 2.500 0.800 0.800 peak 337 spectrum 1 weight 0.10000E+01 volume 0.46518E-02 ppm1 1.720 ppm2 0.795 CV 1 ASSI { 2930} (( segid " " and resid 989 and name HA )) ( segid " " and resid 989 and name HB% ) 2.200 0.600 0.600 peak 2930 spectrum 1 weight 0.10000E+01 volume 0.96966E-02 ppm1 4.189 ppm2 1.400 CV 1 ASSI { 735} ( segid " " and resid 914 and name HG2%) (( segid " " and resid 914 and name HA )) 2.800 1.000 1.000 peak 735 spectrum 1 weight 0.10000E+01 volume 0.53403E-02 ppm1 0.798 ppm2 3.465 CV 1 ASSI { 1460} (( segid " " and resid 1025 and name HG3 )) (( segid " " and resid 1025 and name HB3 )) 2.700 0.900 0.900 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.29960E-02 ppm1 1.513 ppm2 1.904 CV 1 OR { 1460} (( segid " " and resid 1025 and name HG3 )) (( segid " " and resid 1025 and name HB2 )) ASSI { 2460} (( segid " " and resid 964 and name HB2 )) (( segid " " and resid 964 and name HG2 )) 2.400 0.700 0.700 peak 2460 spectrum 1 weight 0.10000E+01 volume 0.39733E-02 ppm1 1.732 ppm2 1.984 CV 1 ASSI { 2681} (( segid " " and resid 1019 and name HA )) (( segid " " and resid 1019 and name HB3 )) 2.700 0.900 0.900 peak 2681 spectrum 1 weight 0.10000E+01 volume 0.61027E-02 ppm1 4.151 ppm2 2.118 CV 1 ASSI { 2} ( segid " " and resid 924 and name HB% ) ( segid " " and resid 1030 and name HB% ) 2.800 1.000 1.000 peak 2 spectrum 1 weight 0.10000E+01 volume 0.41312E-02 ppm1 1.272 ppm2 1.507 CV 1 ASSI { 843} ( segid " " and resid 959 and name HG2%) (( segid " " and resid 960 and name HA )) 4.500 2.600 1.500 peak 843 spectrum 1 weight 0.10000E+01 volume 0.54075E-03 ppm1 0.751 ppm2 3.927 CV 1 ASSI { 1043} ( segid " " and resid 921 and name HB% ) (( segid " " and resid 970 and name HB )) 4.500 2.500 1.500 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.83968E-03 ppm1 1.170 ppm2 2.190 CV 1 ASSI { 1495} (( segid " " and resid 942 and name HB2 )) (( segid " " and resid 943 and name H )) 3.700 1.700 1.700 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.68853E-03 ppm1 2.241 ppm2 8.336 CV 1 ASSI { 3014} (( segid " " and resid 936 and name HG3 )) ( segid " " and resid 932 and name HG2%) 2.900 1.000 1.000 peak 3014 spectrum 1 weight 0.10000E+01 volume 0.16525E-02 ppm1 2.350 ppm2 0.844 CV 1 ASSI { 824} ( segid " " and resid 1034 and name HD2%) (( segid " " and resid 990 and name HB2 )) 4.200 2.200 1.800 peak 824 spectrum 1 weight 0.10000E+01 volume 0.10479E-02 ppm1 0.896 ppm2 4.135 CV 1 ASSI { 771} (( segid " " and resid 1005 and name HA )) (( segid " " and resid 1005 and name H )) 2.600 0.800 0.800 peak 771 spectrum 1 weight 0.10000E+01 volume 0.37517E-02 ppm1 3.777 ppm2 8.232 CV 1 ASSI { 1732} ( segid " " and resid 931 and name HG2%) (( segid " " and resid 931 and name HA )) 2.400 0.700 0.700 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.61900E-02 ppm1 0.960 ppm2 3.802 CV 1 ASSI { 793} ( segid " " and resid 1031 and name HD1%) (( segid " " and resid 1028 and name HA2 )) 2.900 1.100 1.100 peak 793 spectrum 1 weight 0.10000E+01 volume 0.14241E-02 ppm1 0.701 ppm2 3.706 CV 1 ASSI { 1953} (( segid " " and resid 956 and name HB3 )) (( segid " " and resid 932 and name HG13)) 4.800 2.900 1.200 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.41648E-03 ppm1 2.712 ppm2 1.823 CV 1 ASSI { 1207} ( segid " " and resid 1044 and name HB% ) ( segid " " and resid 913 and name HD1%) 2.400 0.700 0.700 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.67275E-02 ppm1 1.308 ppm2 0.865 CV 1 ASSI { 2057} ( segid " " and resid 1001 and name HG2%) (( segid " " and resid 998 and name H )) 4.200 2.200 1.800 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.69523E-03 ppm1 1.022 ppm2 8.272 CV 1 ASSI { 1177} (( segid " " and resid 973 and name HB2 )) (( segid " " and resid 986 and name HB3 )) 4.200 2.200 1.800 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.66169E-03 ppm1 3.566 ppm2 1.369 CV 1 ASSI { 147} ( segid " " and resid 959 and name HG2%) (( segid " " and resid 1000 and name HB3 )) 2.800 1.000 1.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.44603E-02 ppm1 0.750 ppm2 2.313 CV 1 ASSI { 3181} ( segid " " and resid 914 and name HG2%) (( segid " " and resid 912 and name HB )) 3.700 1.700 1.700 peak 3181 spectrum 1 weight 0.10000E+01 volume 0.72548E-03 ppm1 0.798 ppm2 4.492 CV 1 ASSI { 2891} ( segid " " and resid 1001 and name HG2%) ( segid " " and resid 1024 and name HB% ) 3.000 1.200 1.200 peak 2891 spectrum 1 weight 0.10000E+01 volume 0.32143E-02 ppm1 1.021 ppm2 1.422 CV 1 ASSI { 1728} (( segid " " and resid 962 and name HB3 )) (( segid " " and resid 962 and name HB2 )) 2.000 0.500 0.500 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.47391E-02 ppm1 2.084 ppm2 2.719 CV 1 ASSI { 514} ( segid " " and resid 987 and name HG2%) (( segid " " and resid 988 and name H )) 3.000 1.100 1.100 peak 514 spectrum 1 weight 0.10000E+01 volume 0.29153E-02 ppm1 0.802 ppm2 8.516 CV 1 ASSI { 1155} ( segid " " and resid 1008 and name HG1%) (( segid " " and resid 1008 and name HB )) 2.100 0.600 0.600 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.94646E-02 ppm1 0.897 ppm2 2.263 CV 1 ASSI { 1103} (( segid " " and resid 1035 and name HB3 )) (( segid " " and resid 1035 and name HD3 )) 3.200 1.300 1.300 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.93373E-03 ppm1 2.030 ppm2 3.208 CV 1 ASSI { 2672} (( segid " " and resid 970 and name HB )) (( segid " " and resid 971 and name HB3 )) 3.800 1.800 1.800 peak 2672 spectrum 1 weight 0.10000E+01 volume 0.17230E-02 ppm1 2.202 ppm2 1.781 CV 1 OR { 2672} (( segid " " and resid 970 and name HB )) (( segid " " and resid 971 and name HB2 )) ASSI { 1969} (( segid " " and resid 979 and name HA )) (( segid " " and resid 980 and name HD3 )) 2.400 0.700 0.700 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.43730E-02 ppm1 4.927 ppm2 3.987 CV 1 ASSI { 1615} (( segid " " and resid 914 and name HA )) (( segid " " and resid 917 and name HA )) 4.300 2.300 1.700 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.60118E-03 ppm1 3.460 ppm2 4.045 CV 1 ASSI { 633} (( segid " " and resid 971 and name HG3 )) (( segid " " and resid 971 and name H )) 2.800 1.000 1.000 peak 633 spectrum 1 weight 0.10000E+01 volume 0.15013E-02 ppm1 1.549 ppm2 8.294 CV 1 ASSI { 259} (( segid " " and resid 1005 and name HB3 )) (( segid " " and resid 1008 and name HB )) 3.700 1.700 1.700 peak 259 spectrum 1 weight 0.10000E+01 volume 0.84638E-03 ppm1 1.776 ppm2 2.279 CV 1 OR { 259} (( segid " " and resid 1005 and name HB2 )) (( segid " " and resid 1008 and name HB )) ASSI { 3417} (( segid " " and resid 980 and name HD2 )) (( segid " " and resid 980 and name HB3 )) 4.100 2.100 1.900 peak 3417 spectrum 1 weight 0.10000E+01 volume 0.87998E-03 ppm1 4.233 ppm2 2.373 CV 1 ASSI { 1106} ( segid " " and resid 952 and name HD2%) ( segid " " and resid 952 and name HD1%) 2.100 0.600 0.600 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.14248E-01 ppm1 0.704 ppm2 0.826 CV 1 ASSI { 2943} (( segid " " and resid 989 and name HA )) (( segid " " and resid 992 and name HB3 )) 2.800 1.000 1.000 peak 2943 spectrum 1 weight 0.10000E+01 volume 0.17734E-02 ppm1 4.188 ppm2 3.975 CV 1 ASSI { 980} (( segid " " and resid 1039 and name HG2 )) (( segid " " and resid 1039 and name H )) 3.700 1.700 1.700 peak 980 spectrum 1 weight 0.10000E+01 volume 0.19211E-02 ppm1 2.428 ppm2 7.848 CV 1 ASSI { 2708} (( segid " " and resid 1005 and name HA )) ( segid " " and resid 1008 and name HG1%) 4.200 2.200 1.800 peak 2708 spectrum 1 weight 0.10000E+01 volume 0.11252E-02 ppm1 3.780 ppm2 0.894 CV 1 ASSI { 2064} ( segid " " and resid 966 and name HD2%) ( segid " " and resid 993 and name HD% ) 3.300 1.400 1.400 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.15282E-02 ppm1 0.490 ppm2 6.992 CV 1 ASSI { 3259} (( segid " " and resid 1013 and name HB3 )) (( segid " " and resid 1016 and name H )) 3.400 1.400 1.400 peak 3259 spectrum 1 weight 0.10000E+01 volume 0.75574E-03 ppm1 2.619 ppm2 7.965 CV 1 OR { 3259} (( segid " " and resid 1013 and name HB2 )) (( segid " " and resid 1016 and name H )) ASSI { 3390} (( segid " " and resid 1009 and name HD2 )) (( segid " " and resid 1010 and name H )) 3.000 1.100 1.100 peak 3390 spectrum 1 weight 0.10000E+01 volume 0.13200E-02 ppm1 3.571 ppm2 7.728 CV 1 OR { 3390} (( segid " " and resid 1009 and name HD3 )) (( segid " " and resid 1010 and name H )) ASSI { 2231} (( segid " " and resid 961 and name HG2 )) ( segid " " and resid 960 and name HB% ) 3.400 1.400 1.400 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.92027E-03 ppm1 2.438 ppm2 1.495 CV 1 ASSI { 2794} ( segid " " and resid 913 and name HD1%) (( segid " " and resid 913 and name H )) 3.700 1.700 1.700 peak 2794 spectrum 1 weight 0.10000E+01 volume 0.16458E-02 ppm1 0.866 ppm2 8.207 CV 1 ASSI { 2604} (( segid " " and resid 1027 and name HB3 )) ( segid " " and resid 1027 and name HD2%) 2.600 0.900 0.900 peak 2604 spectrum 1 weight 0.10000E+01 volume 0.26702E-02 ppm1 1.359 ppm2 0.825 CV 1 ASSI { 2929} (( segid " " and resid 930 and name HA )) ( segid " " and resid 933 and name HB% ) 2.500 0.800 0.800 peak 2929 spectrum 1 weight 0.10000E+01 volume 0.56258E-02 ppm1 4.112 ppm2 1.431 CV 1 ASSI { 2678} (( segid " " and resid 999 and name HE3 )) (( segid " " and resid 996 and name HA )) 3.800 1.800 1.800 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.66169E-03 ppm1 2.834 ppm2 4.172 CV 1 OR { 2678} (( segid " " and resid 999 and name HE2 )) (( segid " " and resid 996 and name HA )) ASSI { 2638} ( segid " " and resid 966 and name HD2%) (( segid " " and resid 993 and name H )) 3.900 1.900 1.900 peak 2638 spectrum 1 weight 0.10000E+01 volume 0.81953E-03 ppm1 0.488 ppm2 7.678 CV 1 ASSI { 382} (( segid " " and resid 999 and name HA )) (( segid " " and resid 999 and name HB2 )) 2.400 0.700 0.700 peak 382 spectrum 1 weight 0.10000E+01 volume 0.71777E-02 ppm1 4.043 ppm2 1.806 CV 1 OR { 382} (( segid " " and resid 999 and name HA )) (( segid " " and resid 999 and name HB3 )) ASSI { 820} ( segid " " and resid 1001 and name HG1%) (( segid " " and resid 1005 and name HD2 )) 2.600 0.800 0.800 peak 820 spectrum 1 weight 0.10000E+01 volume 0.62504E-02 ppm1 0.886 ppm2 1.597 CV 1 OR { 820} ( segid " " and resid 1001 and name HG1%) (( segid " " and resid 1005 and name HD3 )) ASSI { 2990} ( segid " " and resid 1031 and name HD2%) (( segid " " and resid 1032 and name H )) 4.300 2.300 1.700 peak 2990 spectrum 1 weight 0.10000E+01 volume 0.92027E-03 ppm1 0.943 ppm2 7.718 CV 1 ASSI { 1658} (( segid " " and resid 1036 and name HA )) (( segid " " and resid 1039 and name HB2 )) 2.900 1.100 1.100 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.26131E-02 ppm1 3.922 ppm2 2.125 CV 1 ASSI { 1603} (( segid " " and resid 996 and name HD3 )) (( segid " " and resid 996 and name HG2 )) 2.900 1.000 1.000 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.27743E-02 ppm1 3.488 ppm2 1.923 CV 1 ASSI { 958} (( segid " " and resid 952 and name HB3 )) (( segid " " and resid 952 and name HA )) 3.100 1.200 1.200 peak 958 spectrum 1 weight 0.10000E+01 volume 0.13468E-02 ppm1 1.411 ppm2 3.906 CV 1 ASSI { 3006} (( segid " " and resid 1022 and name HG2 )) (( segid " " and resid 1022 and name HE22)) 3.800 1.800 1.800 peak 3006 spectrum 1 weight 0.10000E+01 volume 0.13133E-02 ppm1 2.401 ppm2 6.874 CV 1 OR { 3006} (( segid " " and resid 1022 and name HG3 )) (( segid " " and resid 1022 and name HE22)) ASSI { 3298} (( segid " " and resid 977 and name HG3 )) (( segid " " and resid 978 and name H )) 4.200 2.200 1.800 peak 3298 spectrum 1 weight 0.10000E+01 volume 0.87328E-03 ppm1 1.863 ppm2 8.366 CV 1 ASSI { 144} (( segid " " and resid 918 and name HB3 )) (( segid " " and resid 918 and name HG3 )) 3.600 1.600 1.600 peak 144 spectrum 1 weight 0.10000E+01 volume 0.10513E-02 ppm1 1.709 ppm2 2.439 CV 1 ASSI { 3075} (( segid " " and resid 993 and name HB3 )) ( segid " " and resid 1034 and name HD2%) 3.000 1.100 1.100 peak 3075 spectrum 1 weight 0.10000E+01 volume 0.13603E-02 ppm1 2.960 ppm2 0.904 CV 1 ASSI { 1261} (( segid " " and resid 910 and name HG2 )) (( segid " " and resid 910 and name HD3 )) 3.100 1.200 1.200 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.28616E-02 ppm1 1.849 ppm2 3.688 CV 1 ASSI { 1134} (( segid " " and resid 1036 and name HA )) (( segid " " and resid 1036 and name HB )) 2.500 0.800 0.800 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.64016E-02 ppm1 3.921 ppm2 4.093 CV 1 ASSI { 509} ( segid " " and resid 935 and name HB% ) (( segid " " and resid 933 and name H )) 3.100 3.100 2.900 peak 509 spectrum 1 weight 0.10000E+01 volume 0.73553E-03 ppm1 1.356 ppm2 7.555 CV 1 ASSI { 1468} (( segid " " and resid 1020 and name HA )) (( segid " " and resid 1020 and name H )) 2.700 0.900 0.900 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.27944E-02 ppm1 3.929 ppm2 7.959 CV 1 ASSI { 1673} (( segid " " and resid 992 and name HA )) (( segid " " and resid 993 and name H )) 3.100 1.200 1.200 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.13704E-02 ppm1 4.196 ppm2 7.676 CV 1 ASSI { 1369} ( segid " " and resid 970 and name HG1%) (( segid " " and resid 918 and name HB3 )) 2.400 0.700 0.700 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.36744E-02 ppm1 0.726 ppm2 1.705 CV 1 ASSI { 2133} (( segid " " and resid 922 and name HA )) ( segid " " and resid 921 and name HB% ) 3.800 1.800 1.800 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.67508E-03 ppm1 3.691 ppm2 1.163 CV 1 ASSI { 3348} (( segid " " and resid 922 and name HG2 )) (( segid " " and resid 922 and name H )) 3.700 1.700 1.700 peak 3348 spectrum 1 weight 0.10000E+01 volume 0.13737E-02 ppm1 1.320 ppm2 8.130 CV 1 ASSI { 3023} (( segid " " and resid 1036 and name HA )) (( segid " " and resid 1035 and name HG2 )) 3.200 1.300 1.300 peak 3023 spectrum 1 weight 0.10000E+01 volume 0.84303E-03 ppm1 3.921 ppm2 1.472 CV 1 ASSI { 1389} (( segid " " and resid 984 and name HG )) (( segid " " and resid 981 and name HA )) 3.700 1.700 1.700 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.78258E-03 ppm1 1.736 ppm2 4.122 CV 1 ASSI { 312} (( segid " " and resid 977 and name HG3 )) (( segid " " and resid 977 and name HB2 )) 3.000 1.100 1.100 peak 312 spectrum 1 weight 0.10000E+01 volume 0.24888E-02 ppm1 1.859 ppm2 2.272 CV 1 ASSI { 2917} (( segid " " and resid 961 and name HG3 )) ( segid " " and resid 960 and name HB% ) 4.300 2.300 1.700 peak 2917 spectrum 1 weight 0.10000E+01 volume 0.51388E-03 ppm1 2.259 ppm2 1.501 CV 1 ASSI { 488} (( segid " " and resid 911 and name HB2 )) (( segid " " and resid 911 and name HA )) 3.200 1.300 1.300 peak 488 spectrum 1 weight 0.10000E+01 volume 0.19211E-02 ppm1 3.134 ppm2 4.734 CV 1 ASSI { 3103} ( segid " " and resid 965 and name HD2%) ( segid " " and resid 965 and name HD1%) 1.900 0.500 0.500 peak 3103 spectrum 1 weight 0.10000E+01 volume 0.29392E-01 ppm1 0.839 ppm2 0.933 CV 1 ASSI { 3078} ( segid " " and resid 953 and name HG1%) (( segid " " and resid 953 and name HB )) 2.100 0.600 0.600 peak 3078 spectrum 1 weight 0.10000E+01 volume 0.12317E-01 ppm1 0.885 ppm2 2.050 CV 1 ASSI { 815} (( segid " " and resid 994 and name HA )) (( segid " " and resid 994 and name HG )) 2.900 1.100 1.100 peak 815 spectrum 1 weight 0.10000E+01 volume 0.18876E-02 ppm1 3.813 ppm2 2.307 CV 1 ASSI { 1016} ( segid " " and resid 967 and name HG1%) (( segid " " and resid 922 and name HA )) 3.800 1.800 1.800 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.65493E-03 ppm1 0.792 ppm2 3.693 CV 1 ASSI { 360} ( segid " " and resid 928 and name HB% ) (( segid " " and resid 927 and name H )) 4.000 2.000 2.000 peak 360 spectrum 1 weight 0.10000E+01 volume 0.96392E-03 ppm1 1.647 ppm2 8.509 CV 1 ASSI { 185} (( segid " " and resid 964 and name HB2 )) (( segid " " and resid 964 and name HD2 )) 3.400 1.400 1.400 peak 185 spectrum 1 weight 0.10000E+01 volume 0.18104E-02 ppm1 1.732 ppm2 3.675 CV 1 ASSI { 621} (( segid " " and resid 948 and name HD2 )) (( segid " " and resid 948 and name HG2 )) 2.400 0.700 0.700 peak 621 spectrum 1 weight 0.10000E+01 volume 0.58004E-02 ppm1 3.628 ppm2 1.919 CV 1 OR { 621} (( segid " " and resid 948 and name HD2 )) (( segid " " and resid 948 and name HG3 )) ASSI { 2664} (( segid " " and resid 914 and name HA )) (( segid " " and resid 917 and name H )) 3.000 1.100 1.100 peak 2664 spectrum 1 weight 0.10000E+01 volume 0.17432E-02 ppm1 3.464 ppm2 7.593 CV 1 ASSI { 2251} (( segid " " and resid 917 and name HA )) (( segid " " and resid 917 and name HB3 )) 2.900 1.100 1.100 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.19481E-02 ppm1 4.046 ppm2 1.116 CV 1 ASSI { 3273} ( segid " " and resid 934 and name HB% ) (( segid " " and resid 937 and name HB2 )) 3.900 1.900 1.900 peak 3273 spectrum 1 weight 0.10000E+01 volume 0.10244E-02 ppm1 1.518 ppm2 3.169 CV 1 OR { 3273} ( segid " " and resid 934 and name HB% ) (( segid " " and resid 937 and name HB3 )) ASSI { 2047} ( segid " " and resid 966 and name HD2%) ( segid " " and resid 993 and name HE% ) 3.900 1.900 1.900 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.67843E-03 ppm1 0.489 ppm2 6.922 CV 1 ASSI { 3087} (( segid " " and resid 997 and name HA2 )) (( segid " " and resid 998 and name H )) 3.700 1.700 1.700 peak 3087 spectrum 1 weight 0.10000E+01 volume 0.96392E-03 ppm1 3.257 ppm2 8.275 CV 1 ASSI { 4} (( segid " " and resid 1034 and name HB2 )) (( segid " " and resid 1034 and name HG )) 3.300 1.400 1.400 peak 4 spectrum 1 weight 0.10000E+01 volume 0.11352E-02 ppm1 2.193 ppm2 1.457 CV 1 ASSI { 1593} (( segid " " and resid 973 and name HB3 )) (( segid " " and resid 974 and name H )) 3.400 1.400 1.400 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.82623E-03 ppm1 3.943 ppm2 8.176 CV 1 ASSI { 608} (( segid " " and resid 1011 and name HB )) (( segid " " and resid 1011 and name HG12)) 3.500 1.500 1.500 peak 608 spectrum 1 weight 0.10000E+01 volume 0.10613E-02 ppm1 1.848 ppm2 1.115 CV 1 ASSI { 1926} (( segid " " and resid 995 and name HG2 )) (( segid " " and resid 995 and name HB3 )) 2.100 0.500 0.500 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.11893E-01 ppm1 2.289 ppm2 2.161 CV 1 OR { 1926} (( segid " " and resid 995 and name HG2 )) (( segid " " and resid 995 and name HB2 )) ASSI { 436} (( segid " " and resid 1007 and name HA )) (( segid " " and resid 1008 and name H )) 3.300 1.400 1.400 peak 436 spectrum 1 weight 0.10000E+01 volume 0.82288E-03 ppm1 4.304 ppm2 7.535 CV 1 ASSI { 1243} ( segid " " and resid 982 and name HB% ) (( segid " " and resid 983 and name H )) 2.700 0.900 0.900 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.38021E-02 ppm1 1.458 ppm2 7.788 CV 1 ASSI { 3230} (( segid " " and resid 1013 and name HA )) (( segid " " and resid 1013 and name H )) 2.900 1.000 1.000 peak 3230 spectrum 1 weight 0.10000E+01 volume 0.19817E-02 ppm1 4.627 ppm2 7.542 CV 1 ASSI { 440} (( segid " " and resid 934 and name HA )) (( segid " " and resid 934 and name H )) 2.600 0.800 0.800 peak 440 spectrum 1 weight 0.10000E+01 volume 0.43764E-02 ppm1 4.149 ppm2 7.985 CV 1 ASSI { 1629} (( segid " " and resid 933 and name HA )) (( segid " " and resid 936 and name HG2 )) 4.000 2.000 2.000 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.89343E-03 ppm1 4.116 ppm2 2.541 CV 1 ASSI { 2947} (( segid " " and resid 1040 and name HG2 )) (( segid " " and resid 1040 and name HG3 )) 1.700 0.400 0.500 peak 2947 spectrum 1 weight 0.10000E+01 volume 0.15164E-01 ppm1 1.567 ppm2 1.502 CV 1 ASSI { 1240} (( segid " " and resid 1031 and name HA )) (( segid " " and resid 1034 and name HB3 )) 2.600 0.800 0.800 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.19749E-02 ppm1 4.044 ppm2 1.235 CV 1 ASSI { 1037} ( segid " " and resid 931 and name HG2%) (( segid " " and resid 1023 and name HA )) 4.000 2.000 2.000 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.91358E-03 ppm1 0.960 ppm2 4.127 CV 1 ASSI { 960} (( segid " " and resid 1001 and name HA )) (( segid " " and resid 1001 and name H )) 2.700 0.900 0.900 peak 960 spectrum 1 weight 0.10000E+01 volume 0.30262E-02 ppm1 3.279 ppm2 7.923 CV 1 ASSI { 1657} (( segid " " and resid 937 and name HA )) (( segid " " and resid 937 and name HB2 )) 2.400 0.700 0.700 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.81044E-02 ppm1 4.341 ppm2 3.170 CV 1 OR { 1657} (( segid " " and resid 937 and name HA )) (( segid " " and resid 937 and name HB3 )) ASSI { 2079} (( segid " " and resid 987 and name HA )) (( segid " " and resid 987 and name HB )) 3.000 1.200 1.200 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.16055E-02 ppm1 3.360 ppm2 1.869 CV 1 ASSI { 1164} (( segid " " and resid 926 and name HA )) (( segid " " and resid 927 and name H )) 3.400 1.400 1.400 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.12159E-02 ppm1 4.093 ppm2 8.505 CV 1 ASSI { 1233} (( segid " " and resid 1010 and name HA )) (( segid " " and resid 1011 and name H )) 3.200 1.300 1.300 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.14006E-02 ppm1 4.396 ppm2 7.303 CV 1 ASSI { 2655} (( segid " " and resid 1028 and name HA3 )) ( segid " " and resid 1031 and name HD1%) 4.500 2.600 1.500 peak 2655 spectrum 1 weight 0.10000E+01 volume 0.70868E-03 ppm1 4.089 ppm2 0.703 CV 1 ASSI { 2727} (( segid " " and resid 1040 and name HE3 )) ( segid " " and resid 1036 and name HG2%) 3.300 1.300 1.300 peak 2727 spectrum 1 weight 0.10000E+01 volume 0.26131E-02 ppm1 2.884 ppm2 1.196 CV 1 ASSI { 2044} (( segid " " and resid 956 and name HB3 )) (( segid " " and resid 932 and name HG12)) 3.600 1.600 1.600 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.57097E-03 ppm1 2.704 ppm2 0.941 CV 1 ASSI { 2984} (( segid " " and resid 915 and name HA )) (( segid " " and resid 915 and name HB2 )) 2.900 1.000 1.000 peak 2984 spectrum 1 weight 0.10000E+01 volume 0.18405E-02 ppm1 3.845 ppm2 2.098 CV 1 ASSI { 3288} (( segid " " and resid 957 and name HB3 )) (( segid " " and resid 957 and name HE3 )) 3.800 1.800 1.800 peak 3288 spectrum 1 weight 0.10000E+01 volume 0.62809E-03 ppm1 1.847 ppm2 2.878 CV 1 OR { 3288} (( segid " " and resid 957 and name HB2 )) (( segid " " and resid 957 and name HE3 )) OR { 3288} (( segid " " and resid 957 and name HB2 )) (( segid " " and resid 957 and name HE2 )) OR { 3288} (( segid " " and resid 957 and name HB3 )) (( segid " " and resid 957 and name HE2 )) ASSI { 2342} ( segid " " and resid 984 and name HD1%) (( segid " " and resid 985 and name H )) 3.900 1.900 1.900 peak 2342 spectrum 1 weight 0.10000E+01 volume 0.10143E-02 ppm1 0.842 ppm2 7.880 CV 1 ASSI { 2286} (( segid " " and resid 1018 and name HG3 )) (( segid " " and resid 1015 and name HA )) 3.500 1.500 1.500 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.85983E-03 ppm1 2.580 ppm2 4.114 CV 1 ASSI { 2013} ( segid " " and resid 1038 and name HB% ) (( segid " " and resid 1039 and name HB2 )) 3.300 1.400 1.400 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.12326E-02 ppm1 1.393 ppm2 2.124 CV 1 ASSI { 1125} (( segid " " and resid 910 and name HB3 )) (( segid " " and resid 910 and name HD3 )) 3.200 1.300 1.300 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.14812E-02 ppm1 1.692 ppm2 3.688 CV 1 ASSI { 1090} (( segid " " and resid 1043 and name HB2 )) (( segid " " and resid 1043 and name H )) 3.000 1.100 1.100 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.34427E-02 ppm1 1.925 ppm2 7.527 CV 1 ASSI { 2810} (( segid " " and resid 919 and name HA )) (( segid " " and resid 919 and name HD2 )) 3.400 1.400 1.400 peak 2810 spectrum 1 weight 0.10000E+01 volume 0.10983E-02 ppm1 4.124 ppm2 6.929 CV 1 ASSI { 3035} (( segid " " and resid 1031 and name HG )) (( segid " " and resid 1031 and name H )) 2.900 1.000 1.000 peak 3035 spectrum 1 weight 0.10000E+01 volume 0.12830E-02 ppm1 2.010 ppm2 9.205 CV 1 ASSI { 1071} ( segid " " and resid 959 and name HG2%) (( segid " " and resid 997 and name HA2 )) 2.300 0.700 0.700 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.43025E-02 ppm1 0.751 ppm2 3.258 CV 1 ASSI { 2023} ( segid " " and resid 934 and name HB% ) (( segid " " and resid 1020 and name HA )) 2.500 0.800 0.800 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.55519E-02 ppm1 1.519 ppm2 3.924 CV 1 ASSI { 3474} (( segid " " and resid 949 and name HG2 )) (( segid " " and resid 949 and name HE22)) 3.600 1.600 1.600 peak 3474 spectrum 1 weight 0.10000E+01 volume 0.16995E-02 ppm1 2.306 ppm2 6.739 CV 1 OR { 3474} (( segid " " and resid 949 and name HG3 )) (( segid " " and resid 949 and name HE22)) ASSI { 3020} ( segid " " and resid 986 and name HD1%) (( segid " " and resid 973 and name HB2 )) 2.800 1.000 1.000 peak 3020 spectrum 1 weight 0.10000E+01 volume 0.18439E-02 ppm1 0.859 ppm2 3.572 CV 1 ASSI { 2378} (( segid " " and resid 1020 and name HA )) (( segid " " and resid 1023 and name HB3 )) 3.800 1.800 1.800 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.13603E-02 ppm1 3.929 ppm2 2.794 CV 1 ASSI { 232} (( segid " " and resid 922 and name HB2 )) ( segid " " and resid 970 and name HG1%) 4.400 2.500 1.600 peak 232 spectrum 1 weight 0.10000E+01 volume 0.94377E-03 ppm1 1.818 ppm2 0.727 CV 1 OR { 232} (( segid " " and resid 922 and name HB3 )) ( segid " " and resid 970 and name HG1%) ASSI { 3406} (( segid " " and resid 1025 and name HA )) (( segid " " and resid 1028 and name H )) 3.000 1.100 1.100 peak 3406 spectrum 1 weight 0.10000E+01 volume 0.15081E-02 ppm1 4.012 ppm2 8.586 CV 1 ASSI { 2437} (( segid " " and resid 965 and name HB3 )) ( segid " " and resid 965 and name HD2%) 2.900 1.100 1.100 peak 2437 spectrum 1 weight 0.10000E+01 volume 0.17264E-02 ppm1 2.067 ppm2 0.838 CV 1 ASSI { 2198} (( segid " " and resid 995 and name HG2 )) (( segid " " and resid 995 and name H )) 3.800 1.800 1.800 peak 2198 spectrum 1 weight 0.10000E+01 volume 0.18171E-02 ppm1 2.287 ppm2 8.334 CV 1 ASSI { 2500} (( segid " " and resid 1018 and name HG3 )) (( segid " " and resid 1018 and name HB2 )) 2.400 0.700 0.700 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.50750E-02 ppm1 2.578 ppm2 2.179 CV 1 ASSI { 752} (( segid " " and resid 913 and name HB3 )) (( segid " " and resid 1041 and name HA )) 3.100 1.200 1.200 peak 752 spectrum 1 weight 0.10000E+01 volume 0.10748E-02 ppm1 1.261 ppm2 4.035 CV 1 ASSI { 948} (( segid " " and resid 930 and name HG2 )) (( segid " " and resid 930 and name H )) 2.700 0.900 0.900 peak 948 spectrum 1 weight 0.10000E+01 volume 0.29758E-02 ppm1 2.511 ppm2 7.887 CV 1 ASSI { 3448} (( segid " " and resid 1005 and name HA )) (( segid " " and resid 1008 and name HB )) 3.300 1.400 1.400 peak 3448 spectrum 1 weight 0.10000E+01 volume 0.13065E-02 ppm1 3.776 ppm2 2.260 CV 1 ASSI { 1868} (( segid " " and resid 958 and name HA )) (( segid " " and resid 961 and name HG3 )) 3.500 1.500 1.500 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.90013E-03 ppm1 4.150 ppm2 2.262 CV 1 ASSI { 1624} (( segid " " and resid 1033 and name HA )) (( segid " " and resid 1032 and name H )) 4.300 2.300 1.700 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.57433E-03 ppm1 4.170 ppm2 7.711 CV 1 ASSI { 2389} (( segid " " and resid 948 and name HD3 )) (( segid " " and resid 948 and name HD2 )) 1.800 0.400 0.400 peak 2389 spectrum 1 weight 0.10000E+01 volume 0.16343E-01 ppm1 3.549 ppm2 3.628 CV 1 ASSI { 2828} (( segid " " and resid 984 and name HG )) (( segid " " and resid 984 and name HA )) 3.400 1.400 1.400 peak 2828 spectrum 1 weight 0.10000E+01 volume 0.16491E-02 ppm1 1.735 ppm2 3.971 CV 1 ASSI { 2710} ( segid " " and resid 1001 and name HG1%) (( segid " " and resid 1005 and name HG2 )) 3.200 1.300 1.300 peak 2710 spectrum 1 weight 0.10000E+01 volume 0.36073E-02 ppm1 0.886 ppm2 1.343 CV 1 ASSI { 738} (( segid " " and resid 942 and name HD2 )) (( segid " " and resid 941 and name HA )) 2.300 0.600 0.600 peak 738 spectrum 1 weight 0.10000E+01 volume 0.81110E-02 ppm1 3.750 ppm2 4.512 CV 1 ASSI { 1921} (( segid " " and resid 990 and name HA )) (( segid " " and resid 991 and name H )) 3.200 1.300 1.300 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.14846E-02 ppm1 3.968 ppm2 8.257 CV 1 ASSI { 1800} ( segid " " and resid 959 and name HG2%) (( segid " " and resid 997 and name H )) 3.200 1.200 1.200 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.21697E-02 ppm1 0.751 ppm2 7.837 CV 1 ASSI { 704} (( segid " " and resid 1002 and name HA )) (( segid " " and resid 1005 and name HB2 )) 2.700 0.900 0.900 peak 704 spectrum 1 weight 0.10000E+01 volume 0.32479E-02 ppm1 3.990 ppm2 1.794 CV 1 OR { 704} (( segid " " and resid 1002 and name HA )) (( segid " " and resid 1005 and name HB3 )) ASSI { 3504} (( segid " " and resid 914 and name HB )) (( segid " " and resid 914 and name H )) 2.900 1.000 1.000 peak 3504 spectrum 1 weight 0.10000E+01 volume 0.37550E-02 ppm1 1.910 ppm2 8.002 CV 1 ASSI { 1028} ( segid " " and resid 987 and name HD1%) (( segid " " and resid 983 and name HB3 )) 3.100 1.200 1.200 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.92362E-03 ppm1 0.712 ppm2 1.955 CV 1 ASSI { 373} (( segid " " and resid 970 and name HA )) (( segid " " and resid 973 and name HA )) 4.200 2.200 1.800 peak 373 spectrum 1 weight 0.10000E+01 volume 0.65828E-03 ppm1 3.436 ppm2 4.009 CV 1 ASSI { 3498} ( segid " " and resid 917 and name HD1%) (( segid " " and resid 987 and name H )) 3.600 1.700 1.700 peak 3498 spectrum 1 weight 0.10000E+01 volume 0.10043E-02 ppm1 0.700 ppm2 8.442 CV 1 ASSI { 884} (( segid " " and resid 974 and name HG3 )) (( segid " " and resid 974 and name HE22)) 3.900 1.900 1.900 peak 884 spectrum 1 weight 0.10000E+01 volume 0.11084E-02 ppm1 2.274 ppm2 6.550 CV 1 ASSI { 3340} ( segid " " and resid 970 and name HG1%) (( segid " " and resid 974 and name HG2 )) 2.900 1.000 1.000 peak 3340 spectrum 1 weight 0.10000E+01 volume 0.39061E-02 ppm1 0.726 ppm2 2.472 CV 1 ASSI { 797} ( segid " " and resid 1011 and name HG2%) (( segid " " and resid 1011 and name HB )) 2.300 0.600 0.600 peak 797 spectrum 1 weight 0.10000E+01 volume 0.68853E-02 ppm1 0.950 ppm2 1.846 CV 1 ASSI { 2525} (( segid " " and resid 963 and name HA )) (( segid " " and resid 966 and name HB2 )) 3.100 1.200 1.200 peak 2525 spectrum 1 weight 0.10000E+01 volume 0.95388E-03 ppm1 3.691 ppm2 1.328 CV 1 ASSI { 614} (( segid " " and resid 968 and name HA )) (( segid " " and resid 972 and name H )) 3.400 1.500 1.500 peak 614 spectrum 1 weight 0.10000E+01 volume 0.95053E-03 ppm1 3.960 ppm2 8.625 CV 1 ASSI { 3378} ( segid " " and resid 1020 and name HD2%) ( segid " " and resid 1008 and name HG2%) 2.800 1.000 1.000 peak 3378 spectrum 1 weight 0.10000E+01 volume 0.12763E-02 ppm1 0.815 ppm2 1.100 CV 1 ASSI { 3327} (( segid " " and resid 1016 and name HA )) ( segid " " and resid 1011 and name HG2%) 3.900 1.900 1.900 peak 3327 spectrum 1 weight 0.10000E+01 volume 0.96057E-03 ppm1 4.209 ppm2 0.944 CV 1 ASSI { 961} (( segid " " and resid 1008 and name HA )) (( segid " " and resid 1011 and name HB )) 3.400 1.500 1.500 peak 961 spectrum 1 weight 0.10000E+01 volume 0.95053E-03 ppm1 3.632 ppm2 1.849 CV 1 ASSI { 3057} (( segid " " and resid 1033 and name HA )) (( segid " " and resid 1034 and name H )) 3.300 1.400 1.400 peak 3057 spectrum 1 weight 0.10000E+01 volume 0.10546E-02 ppm1 4.167 ppm2 8.179 CV 1 ASSI { 2244} (( segid " " and resid 987 and name HG13)) (( segid " " and resid 987 and name HG12)) 2.100 0.600 0.600 peak 2244 spectrum 1 weight 0.10000E+01 volume 0.35334E-02 ppm1 0.709 ppm2 1.723 CV 1 ASSI { 2676} (( segid " " and resid 963 and name HG12)) (( segid " " and resid 963 and name HB )) 3.300 1.400 1.400 peak 2676 spectrum 1 weight 0.10000E+01 volume 0.97737E-03 ppm1 0.925 ppm2 1.982 CV 1 ASSI { 1973} ( segid " " and resid 987 and name HD1%) (( segid " " and resid 987 and name HA )) 3.500 1.500 1.500 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.32344E-02 ppm1 0.711 ppm2 3.363 CV 1 ASSI { 1884} (( segid " " and resid 994 and name HA )) (( segid " " and resid 998 and name H )) 3.300 1.400 1.400 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.78928E-03 ppm1 3.810 ppm2 8.272 CV 1 ASSI { 1619} ( segid " " and resid 952 and name HD2%) (( segid " " and resid 1000 and name HA )) 3.300 1.400 1.400 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.12226E-02 ppm1 0.704 ppm2 4.219 CV 1 ASSI { 367} (( segid " " and resid 933 and name HA )) ( segid " " and resid 935 and name HB% ) 4.000 2.000 2.000 peak 367 spectrum 1 weight 0.10000E+01 volume 0.62809E-03 ppm1 4.120 ppm2 1.351 CV 1 ASSI { 3126} ( segid " " and resid 1010 and name HG2%) (( segid " " and resid 1009 and name HB2 )) 3.100 3.100 2.900 peak 3126 spectrum 1 weight 0.10000E+01 volume 0.19514E-02 ppm1 1.180 ppm2 1.790 CV 1 ASSI { 7} ( segid " " and resid 941 and name HB% ) (( segid " " and resid 942 and name HD3 )) 3.100 1.200 1.200 peak 7 spectrum 1 weight 0.10000E+01 volume 0.58777E-02 ppm1 1.281 ppm2 3.560 CV 1 ASSI { 2663} (( segid " " and resid 916 and name HD3 )) (( segid " " and resid 916 and name HB2 )) 2.800 1.000 1.000 peak 2663 spectrum 1 weight 0.10000E+01 volume 0.29187E-02 ppm1 3.056 ppm2 1.848 CV 1 OR { 2663} (( segid " " and resid 916 and name HD3 )) (( segid " " and resid 916 and name HB3 )) ASSI { 3039} (( segid " " and resid 996 and name HG2 )) (( segid " " and resid 962 and name HE21)) 3.600 1.700 1.700 peak 3039 spectrum 1 weight 0.10000E+01 volume 0.71879E-03 ppm1 1.922 ppm2 7.613 CV 1 ASSI { 699} ( segid " " and resid 982 and name HB% ) (( segid " " and resid 979 and name H )) 2.900 1.100 1.100 peak 699 spectrum 1 weight 0.10000E+01 volume 0.22637E-02 ppm1 1.455 ppm2 7.434 CV 1 ASSI { 3105} ( segid " " and resid 1011 and name HG2%) ( segid " " and resid 938 and name HB% ) 2.700 0.900 0.900 peak 3105 spectrum 1 weight 0.10000E+01 volume 0.53806E-02 ppm1 0.951 ppm2 1.363 CV 1 ASSI { 527} ( segid " " and resid 934 and name HB% ) (( segid " " and resid 934 and name H )) 2.200 0.600 0.600 peak 527 spectrum 1 weight 0.10000E+01 volume 0.11541E-01 ppm1 1.518 ppm2 7.985 CV 1 ASSI { 1662} (( segid " " and resid 931 and name HA )) (( segid " " and resid 1023 and name HB3 )) 2.900 1.100 1.100 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.12058E-02 ppm1 3.805 ppm2 2.790 CV 1 ASSI { 3373} (( segid " " and resid 996 and name HA )) (( segid " " and resid 996 and name HB3 )) 2.400 0.700 0.700 peak 3373 spectrum 1 weight 0.10000E+01 volume 0.37215E-02 ppm1 4.169 ppm2 1.422 CV 1 ASSI { 198} (( segid " " and resid 1029 and name HA )) (( segid " " and resid 1031 and name H )) 3.900 1.900 1.900 peak 198 spectrum 1 weight 0.10000E+01 volume 0.59449E-03 ppm1 4.023 ppm2 9.205 CV 1 ASSI { 2961} (( segid " " and resid 927 and name HB3 )) (( segid " " and resid 1027 and name HA )) 2.900 1.100 1.100 peak 2961 spectrum 1 weight 0.10000E+01 volume 0.16189E-02 ppm1 3.757 ppm2 4.325 CV 1 ASSI { 3524} (( segid " " and resid 942 and name HB3 )) (( segid " " and resid 942 and name HB2 )) 1.700 0.400 0.500 peak 3524 spectrum 1 weight 0.10000E+01 volume 0.17660E-01 ppm1 1.853 ppm2 2.240 CV 1 ASSI { 681} ( segid " " and resid 921 and name HB% ) ( segid " " and resid 986 and name HD2%) 2.500 0.800 0.800 peak 681 spectrum 1 weight 0.10000E+01 volume 0.54713E-02 ppm1 1.171 ppm2 0.672 CV 1 ASSI { 1764} (( segid " " and resid 918 and name HG2 )) (( segid " " and resid 918 and name HB3 )) 3.000 1.200 1.200 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.10681E-02 ppm1 1.936 ppm2 1.699 CV 1 ASSI { 1138} (( segid " " and resid 1027 and name HB3 )) (( segid " " and resid 1027 and name HA )) 3.300 1.300 1.300 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.13838E-02 ppm1 1.358 ppm2 4.326 CV 1 ASSI { 513} (( segid " " and resid 1035 and name HB2 )) ( segid " " and resid 994 and name HD2%) 2.700 0.900 0.900 peak 513 spectrum 1 weight 0.10000E+01 volume 0.16189E-02 ppm1 1.971 ppm2 0.923 CV 1 OR { 513} (( segid " " and resid 1035 and name HB2 )) ( segid " " and resid 994 and name HD1%) ASSI { 1212} ( segid " " and resid 1027 and name HD2%) ( segid " " and resid 928 and name HB% ) 3.100 1.200 1.200 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.25929E-02 ppm1 0.821 ppm2 1.646 CV 1 ASSI { 2719} ( segid " " and resid 1010 and name HG2%) (( segid " " and resid 1010 and name H )) 2.500 0.800 0.800 peak 2719 spectrum 1 weight 0.10000E+01 volume 0.57333E-02 ppm1 1.178 ppm2 7.723 CV 1 ASSI { 1474} ( segid " " and resid 932 and name HG2%) ( segid " " and resid 935 and name HB% ) 3.300 1.300 1.300 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.19782E-02 ppm1 0.850 ppm2 1.348 CV 1 ASSI { 1086} ( segid " " and resid 987 and name HD1%) (( segid " " and resid 988 and name H )) 2.800 2.800 3.200 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.11487E-02 ppm1 0.712 ppm2 8.516 CV 1 ASSI { 788} (( segid " " and resid 932 and name HA )) (( segid " " and resid 932 and name H )) 2.700 0.900 0.900 peak 788 spectrum 1 weight 0.10000E+01 volume 0.28482E-02 ppm1 3.697 ppm2 8.383 CV 1 ASSI { 3190} (( segid " " and resid 959 and name HB )) ( segid " " and resid 959 and name HG1%) 2.400 0.700 0.700 peak 3190 spectrum 1 weight 0.10000E+01 volume 0.46518E-02 ppm1 2.058 ppm2 0.847 CV 1 ASSI { 2153} (( segid " " and resid 1002 and name HA )) (( segid " " and resid 1005 and name H )) 3.100 1.200 1.200 peak 2153 spectrum 1 weight 0.10000E+01 volume 0.14241E-02 ppm1 3.990 ppm2 8.234 CV 1 ASSI { 2382} ( segid " " and resid 1034 and name HD2%) ( segid " " and resid 993 and name HE% ) 3.100 1.200 1.200 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.71538E-03 ppm1 0.896 ppm2 6.917 CV 1 ASSI { 923} ( segid " " and resid 928 and name HB% ) ( segid " " and resid 959 and name HG1%) 2.100 0.500 0.500 peak 923 spectrum 1 weight 0.10000E+01 volume 0.13606E-01 ppm1 1.648 ppm2 0.843 CV 1 ASSI { 2811} (( segid " " and resid 917 and name HA )) (( segid " " and resid 920 and name H )) 3.400 1.400 1.400 peak 2811 spectrum 1 weight 0.10000E+01 volume 0.94377E-03 ppm1 4.048 ppm2 8.370 CV 1 ASSI { 3347} ( segid " " and resid 1027 and name HD2%) (( segid " " and resid 997 and name HA3 )) 3.700 1.700 1.700 peak 3347 spectrum 1 weight 0.10000E+01 volume 0.69188E-03 ppm1 0.818 ppm2 3.207 CV 1 ASSI { 2546} (( segid " " and resid 910 and name HG2 )) (( segid " " and resid 910 and name HB2 )) 2.400 0.700 0.700 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.46182E-02 ppm1 1.849 ppm2 2.103 CV 1 ASSI { 2346} ( segid " " and resid 1006 and name HB% ) (( segid " " and resid 1007 and name HB2 )) 3.600 1.600 1.600 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.10647E-02 ppm1 1.414 ppm2 3.653 CV 1 ASSI { 1546} ( segid " " and resid 994 and name HD2%) (( segid " " and resid 990 and name HB3 )) 3.600 1.600 1.600 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.67173E-03 ppm1 0.918 ppm2 3.387 CV 1 ASSI { 3112} ( segid " " and resid 994 and name HD2%) (( segid " " and resid 1034 and name HB2 )) 3.700 1.700 1.700 peak 3112 spectrum 1 weight 0.10000E+01 volume 0.21999E-02 ppm1 0.918 ppm2 2.198 CV 1 ASSI { 170} (( segid " " and resid 949 and name HG3 )) (( segid " " and resid 949 and name HB3 )) 2.500 0.800 0.800 peak 170 spectrum 1 weight 0.10000E+01 volume 0.63448E-02 ppm1 2.307 ppm2 1.925 CV 1 OR { 170} (( segid " " and resid 949 and name HG2 )) (( segid " " and resid 949 and name HB2 )) OR { 170} (( segid " " and resid 949 and name HG3 )) (( segid " " and resid 949 and name HB2 )) OR { 170} (( segid " " and resid 949 and name HG2 )) (( segid " " and resid 949 and name HB3 )) ASSI { 625} ( segid " " and resid 1000 and name HE% ) (( segid " " and resid 1024 and name HA )) 3.600 1.600 1.600 peak 625 spectrum 1 weight 0.10000E+01 volume 0.16122E-02 ppm1 1.974 ppm2 3.915 CV 1 ASSI { 1848} (( segid " " and resid 1026 and name HA )) (( segid " " and resid 1026 and name H )) 2.600 0.800 0.800 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.44167E-02 ppm1 4.415 ppm2 8.124 CV 1 ASSI { 1463} (( segid " " and resid 996 and name HG3 )) (( segid " " and resid 997 and name H )) 3.600 1.600 1.600 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.21327E-02 ppm1 1.763 ppm2 7.837 CV 1 ASSI { 2986} (( segid " " and resid 936 and name HA )) (( segid " " and resid 936 and name HG2 )) 2.900 1.000 1.000 peak 2986 spectrum 1 weight 0.10000E+01 volume 0.20388E-02 ppm1 3.947 ppm2 2.535 CV 1 ASSI { 3297} (( segid " " and resid 1035 and name HD3 )) (( segid " " and resid 1035 and name H )) 3.100 3.100 2.900 peak 3297 spectrum 1 weight 0.10000E+01 volume 0.62474E-03 ppm1 3.227 ppm2 8.524 CV 1 OR { 3297} (( segid " " and resid 1035 and name HD2 )) (( segid " " and resid 1035 and name H )) ASSI { 3519} (( segid " " and resid 918 and name HA )) (( segid " " and resid 918 and name HB2 )) 3.200 1.300 1.300 peak 3519 spectrum 1 weight 0.10000E+01 volume 0.18003E-02 ppm1 3.645 ppm2 2.341 CV 1 ASSI { 3213} (( segid " " and resid 973 and name HB2 )) (( segid " " and resid 973 and name HB3 )) 2.200 0.600 0.600 peak 3213 spectrum 1 weight 0.10000E+01 volume 0.41547E-02 ppm1 3.565 ppm2 3.943 CV 1 ASSI { 2187} ( segid " " and resid 1032 and name HB% ) (( segid " " and resid 1029 and name HB )) 3.100 1.200 1.200 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.64154E-03 ppm1 1.549 ppm2 4.248 CV 1 ASSI { 2938} ( segid " " and resid 1038 and name HB% ) (( segid " " and resid 1037 and name H )) 3.800 1.800 1.800 peak 2938 spectrum 1 weight 0.10000E+01 volume 0.14107E-02 ppm1 1.396 ppm2 8.532 CV 1 ASSI { 2017} (( segid " " and resid 996 and name HB3 )) (( segid " " and resid 996 and name HB2 )) 1.900 0.400 0.400 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.90216E-02 ppm1 1.418 ppm2 2.009 CV 1 ASSI { 2598} (( segid " " and resid 942 and name HD2 )) (( segid " " and resid 942 and name HG3 )) 2.800 1.000 1.000 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.43797E-02 ppm1 3.749 ppm2 1.954 CV 1 ASSI { 1211} ( segid " " and resid 982 and name HB% ) (( segid " " and resid 976 and name H )) 3.700 1.700 1.700 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.73553E-03 ppm1 1.457 ppm2 7.051 CV 1 ASSI { 2132} (( segid " " and resid 981 and name HA )) (( segid " " and resid 981 and name H )) 2.900 1.000 1.000 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.23242E-02 ppm1 4.119 ppm2 7.892 CV 1 ASSI { 1349} ( segid " " and resid 970 and name HG2%) ( segid " " and resid 970 and name HG1%) 2.100 0.500 0.500 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.13955E-01 ppm1 0.916 ppm2 0.724 CV 1 ASSI { 2094} ( segid " " and resid 987 and name HG2%) (( segid " " and resid 987 and name HB )) 2.100 0.600 0.600 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.94210E-02 ppm1 0.802 ppm2 1.868 CV 1 ASSI { 132} ( segid " " and resid 966 and name HD1%) (( segid " " and resid 966 and name HB3 )) 2.400 0.700 0.700 peak 132 spectrum 1 weight 0.10000E+01 volume 0.55855E-02 ppm1 -0.046 ppm2 1.589 CV 1 ASSI { 1388} (( segid " " and resid 966 and name HA )) (( segid " " and resid 966 and name HG )) 3.200 1.300 1.300 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.13435E-02 ppm1 3.890 ppm2 1.103 CV 1 ASSI { 3274} (( segid " " and resid 1027 and name HG )) (( segid " " and resid 1031 and name HG )) 3.300 1.400 1.400 peak 3274 spectrum 1 weight 0.10000E+01 volume 0.78258E-03 ppm1 1.365 ppm2 2.017 CV 1 ASSI { 691} (( segid " " and resid 1025 and name HG3 )) (( segid " " and resid 1025 and name H )) 3.700 1.700 1.700 peak 691 spectrum 1 weight 0.10000E+01 volume 0.12562E-02 ppm1 1.514 ppm2 7.951 CV 1 ASSI { 1985} (( segid " " and resid 909 and name HB2 )) (( segid " " and resid 909 and name HB3 )) 1.800 0.400 0.400 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.19776E-01 ppm1 2.685 ppm2 2.496 CV 1 ASSI { 883} (( segid " " and resid 1014 and name HB3 )) ( segid " " and resid 1017 and name HB% ) 3.700 1.700 1.700 peak 883 spectrum 1 weight 0.10000E+01 volume 0.13401E-02 ppm1 2.062 ppm2 1.499 CV 1 OR { 883} (( segid " " and resid 1014 and name HB2 )) ( segid " " and resid 1017 and name HB% ) ASSI { 3322} (( segid " " and resid 915 and name HA )) (( segid " " and resid 915 and name HG3 )) 2.600 0.900 0.900 peak 3322 spectrum 1 weight 0.10000E+01 volume 0.49742E-02 ppm1 3.845 ppm2 2.233 CV 1 OR { 3322} (( segid " " and resid 915 and name HA )) (( segid " " and resid 915 and name HG2 )) ASSI { 669} (( segid " " and resid 996 and name HB3 )) (( segid " " and resid 996 and name HD2 )) 3.800 1.800 1.800 peak 669 spectrum 1 weight 0.10000E+01 volume 0.99417E-03 ppm1 1.415 ppm2 4.060 CV 1 ASSI { 2550} ( segid " " and resid 925 and name HB% ) (( segid " " and resid 993 and name HZ )) 4.200 2.200 1.800 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.65158E-03 ppm1 1.229 ppm2 6.771 CV 1 ASSI { 296} ( segid " " and resid 953 and name HG2%) (( segid " " and resid 950 and name HD3 )) 4.000 2.000 2.000 peak 296 spectrum 1 weight 0.10000E+01 volume 0.95722E-03 ppm1 0.960 ppm2 3.655 CV 1 ASSI { 3148} (( segid " " and resid 996 and name HG2 )) (( segid " " and resid 996 and name HB3 )) 2.900 1.000 1.000 peak 3148 spectrum 1 weight 0.10000E+01 volume 0.35569E-02 ppm1 1.924 ppm2 1.420 CV 1 ASSI { 3431} (( segid " " and resid 1009 and name HA )) ( segid " " and resid 1010 and name HG2%) 4.100 2.100 1.900 peak 3431 spectrum 1 weight 0.10000E+01 volume 0.66503E-03 ppm1 4.452 ppm2 1.176 CV 1 ASSI { 3547} ( segid " " and resid 924 and name HB% ) (( segid " " and resid 925 and name H )) 2.400 0.700 0.700 peak 3547 spectrum 1 weight 0.10000E+01 volume 0.60291E-02 ppm1 1.273 ppm2 8.120 CV 1 ASSI { 1277} ( segid " " and resid 963 and name HD1%) (( segid " " and resid 929 and name HA )) 2.400 0.700 0.700 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.62336E-02 ppm1 0.935 ppm2 3.704 CV 1 ASSI { 1923} ( segid " " and resid 941 and name HB% ) (( segid " " and resid 941 and name HA )) 2.200 0.600 0.600 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.10845E-01 ppm1 1.280 ppm2 4.513 CV 1 ASSI { 2758} (( segid " " and resid 920 and name HA )) (( segid " " and resid 923 and name HB2 )) 3.500 1.600 1.600 peak 2758 spectrum 1 weight 0.10000E+01 volume 0.35300E-02 ppm1 4.020 ppm2 1.971 CV 1 OR { 2758} (( segid " " and resid 920 and name HA )) (( segid " " and resid 923 and name HB3 )) ASSI { 281} (( segid " " and resid 1001 and name HA )) (( segid " " and resid 1004 and name H )) 3.100 1.200 1.200 peak 281 spectrum 1 weight 0.10000E+01 volume 0.13099E-02 ppm1 3.279 ppm2 8.809 CV 1 ASSI { 1427} (( segid " " and resid 947 and name HA2 )) (( segid " " and resid 947 and name H )) 3.000 1.200 1.200 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.17331E-02 ppm1 4.094 ppm2 8.092 CV 1 ASSI { 2698} ( segid " " and resid 965 and name HD1%) (( segid " " and resid 962 and name HE21)) 3.600 1.700 1.700 peak 2698 spectrum 1 weight 0.10000E+01 volume 0.14443E-02 ppm1 0.939 ppm2 7.611 CV 1 ASSI { 1242} ( segid " " and resid 989 and name HB% ) (( segid " " and resid 965 and name HB3 )) 3.000 1.100 1.100 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.13065E-02 ppm1 1.400 ppm2 2.072 CV 1 ASSI { 1902} (( segid " " and resid 1028 and name HA3 )) (( segid " " and resid 1031 and name H )) 4.100 2.100 1.900 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.59785E-03 ppm1 4.087 ppm2 9.206 CV 1 ASSI { 2042} (( segid " " and resid 936 and name HG3 )) (( segid " " and resid 936 and name HE21)) 2.800 1.000 1.000 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.18439E-02 ppm1 2.345 ppm2 7.196 CV 1 ASSI { 1360} ( segid " " and resid 959 and name HG2%) (( segid " " and resid 962 and name HG3 )) 4.000 2.000 2.000 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.66503E-03 ppm1 0.751 ppm2 2.400 CV 1 ASSI { 2127} (( segid " " and resid 923 and name HA )) (( segid " " and resid 923 and name HB2 )) 2.300 0.600 0.600 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.82419E-02 ppm1 4.062 ppm2 1.975 CV 1 OR { 2127} (( segid " " and resid 923 and name HA )) (( segid " " and resid 923 and name HB3 )) ASSI { 2177} ( segid " " and resid 1001 and name HG2%) (( segid " " and resid 1028 and name HA2 )) 2.500 0.800 0.800 peak 2177 spectrum 1 weight 0.10000E+01 volume 0.33285E-02 ppm1 1.022 ppm2 3.704 CV 1 ASSI { 586} ( segid " " and resid 987 and name HD1%) (( segid " " and resid 1042 and name HA )) 2.400 0.700 0.700 peak 586 spectrum 1 weight 0.10000E+01 volume 0.37583E-02 ppm1 0.711 ppm2 4.112 CV 1 ASSI { 2229} (( segid " " and resid 996 and name HD2 )) (( segid " " and resid 996 and name HG2 )) 2.500 0.800 0.800 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.22201E-02 ppm1 4.061 ppm2 1.923 CV 1 ASSI { 128} ( segid " " and resid 1031 and name HD2%) (( segid " " and resid 993 and name HB3 )) 3.700 1.700 1.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.67843E-03 ppm1 0.944 ppm2 2.960 CV 1 ASSI { 1153} ( segid " " and resid 914 and name HG1%) (( segid " " and resid 915 and name H )) 3.500 1.600 1.600 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.18204E-02 ppm1 0.903 ppm2 7.787 CV 1 ASSI { 459} ( segid " " and resid 1008 and name HG2%) (( segid " " and resid 1008 and name HA )) 2.200 0.600 0.600 peak 459 spectrum 1 weight 0.10000E+01 volume 0.92667E-02 ppm1 1.102 ppm2 3.632 CV 1 ASSI { 595} ( segid " " and resid 1034 and name HD1%) (( segid " " and resid 921 and name HA )) 2.300 0.600 0.600 peak 595 spectrum 1 weight 0.10000E+01 volume 0.75035E-02 ppm1 0.821 ppm2 3.813 CV 1 ASSI { 1628} (( segid " " and resid 1006 and name HA )) (( segid " " and resid 1005 and name HB2 )) 3.400 1.500 1.500 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.95722E-03 ppm1 4.123 ppm2 1.793 CV 1 OR { 1628} (( segid " " and resid 1006 and name HA )) (( segid " " and resid 1005 and name HB3 )) ASSI { 2430} ( segid " " and resid 1034 and name HD2%) (( segid " " and resid 1034 and name H )) 2.800 2.800 3.200 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.11319E-02 ppm1 0.897 ppm2 8.177 CV 1 ASSI { 2782} ( segid " " and resid 952 and name HD1%) (( segid " " and resid 953 and name HA )) 3.800 1.800 1.800 peak 2782 spectrum 1 weight 0.10000E+01 volume 0.76913E-03 ppm1 0.832 ppm2 3.567 CV 1 ASSI { 897} ( segid " " and resid 1032 and name HB% ) (( segid " " and resid 1033 and name H )) 2.300 0.700 0.700 peak 897 spectrum 1 weight 0.10000E+01 volume 0.66635E-02 ppm1 1.551 ppm2 7.834 CV 1 ASSI { 2567} ( segid " " and resid 1031 and name HD1%) (( segid " " and resid 998 and name H )) 3.000 1.100 1.100 peak 2567 spectrum 1 weight 0.10000E+01 volume 0.16256E-02 ppm1 0.702 ppm2 8.274 CV 1 ASSI { 2561} (( segid " " and resid 916 and name HA )) (( segid " " and resid 916 and name H )) 2.700 0.900 0.900 peak 2561 spectrum 1 weight 0.10000E+01 volume 0.31236E-02 ppm1 3.891 ppm2 8.250 CV 1 ASSI { 1059} (( segid " " and resid 1026 and name HA )) (( segid " " and resid 1030 and name H )) 3.600 1.600 1.600 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.68184E-03 ppm1 4.416 ppm2 8.279 CV 1 ASSI { 2617} (( segid " " and resid 909 and name HB3 )) (( segid " " and resid 909 and name H )) 2.900 1.100 1.100 peak 2617 spectrum 1 weight 0.10000E+01 volume 0.28851E-02 ppm1 2.494 ppm2 8.348 CV 1 ASSI { 2207} (( segid " " and resid 996 and name HD3 )) (( segid " " and resid 995 and name HA )) 4.200 2.200 1.800 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.72213E-03 ppm1 3.489 ppm2 4.303 CV 1 ASSI { 1965} (( segid " " and resid 962 and name HG3 )) ( segid " " and resid 993 and name HD% ) 4.200 2.300 1.800 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.80608E-03 ppm1 2.398 ppm2 6.994 CV 1 ASSI { 3107} (( segid " " and resid 1015 and name HA )) (( segid " " and resid 1018 and name HB2 )) 2.800 1.000 1.000 peak 3107 spectrum 1 weight 0.10000E+01 volume 0.22503E-02 ppm1 4.118 ppm2 2.169 CV 1 ASSI { 2100} ( segid " " and resid 1000 and name HE% ) (( segid " " and resid 931 and name HG1 )) 3.400 1.400 1.400 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.30363E-02 ppm1 1.974 ppm2 3.969 CV 1 ASSI { 1828} (( segid " " and resid 1023 and name HA )) (( segid " " and resid 1023 and name HB2 )) 3.000 1.100 1.100 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.28247E-02 ppm1 4.119 ppm2 3.323 CV 1 ASSI { 602} (( segid " " and resid 922 and name HA )) (( segid " " and resid 922 and name H )) 2.400 0.700 0.700 peak 602 spectrum 1 weight 0.10000E+01 volume 0.60692E-02 ppm1 3.691 ppm2 8.131 CV 1 ASSI { 1477} (( segid " " and resid 918 and name HA )) (( segid " " and resid 918 and name HG3 )) 3.200 1.300 1.300 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.18808E-02 ppm1 3.644 ppm2 2.438 CV 1 ASSI { 1543} (( segid " " and resid 977 and name HB3 )) (( segid " " and resid 977 and name HD2 )) 4.100 2.100 1.900 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.84638E-03 ppm1 1.830 ppm2 3.329 CV 1 ASSI { 2252} ( segid " " and resid 914 and name HG2%) (( segid " " and resid 915 and name HB2 )) 3.900 1.900 1.900 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.62474E-03 ppm1 0.796 ppm2 2.096 CV 1 ASSI { 1989} ( segid " " and resid 987 and name HG2%) (( segid " " and resid 991 and name HE22)) 3.300 1.300 1.300 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.16256E-02 ppm1 0.801 ppm2 6.594 CV 1 ASSI { 2778} ( segid " " and resid 984 and name HD2%) (( segid " " and resid 980 and name HA )) 3.600 1.600 1.600 peak 2778 spectrum 1 weight 0.10000E+01 volume 0.67508E-03 ppm1 0.845 ppm2 4.249 CV 1 ASSI { 3387} (( segid " " and resid 1001 and name HA )) ( segid " " and resid 931 and name HG2%) 3.700 1.700 1.700 peak 3387 spectrum 1 weight 0.10000E+01 volume 0.52060E-03 ppm1 3.278 ppm2 0.952 CV 1 ASSI { 1378} ( segid " " and resid 963 and name HD1%) (( segid " " and resid 963 and name HB )) 2.300 0.700 0.700 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.56997E-02 ppm1 0.935 ppm2 1.987 CV 1 ASSI { 2721} ( segid " " and resid 912 and name HG2%) (( segid " " and resid 915 and name H )) 3.800 1.800 1.800 peak 2721 spectrum 1 weight 0.10000E+01 volume 0.74898E-03 ppm1 1.227 ppm2 7.786 CV 1 ASSI { 751} ( segid " " and resid 1011 and name HD1%) (( segid " " and resid 1011 and name HG13)) 2.300 0.600 0.600 peak 751 spectrum 1 weight 0.10000E+01 volume 0.81684E-02 ppm1 0.610 ppm2 1.492 CV 1 ASSI { 92} ( segid " " and resid 1004 and name HB% ) ( segid " " and resid 1024 and name HB% ) 2.500 0.800 0.800 peak 92 spectrum 1 weight 0.10000E+01 volume 0.48600E-02 ppm1 1.277 ppm2 1.430 CV 1 ASSI { 2941} ( segid " " and resid 1031 and name HD1%) (( segid " " and resid 1031 and name HG )) 2.100 0.600 0.600 peak 2941 spectrum 1 weight 0.10000E+01 volume 0.90921E-02 ppm1 0.702 ppm2 2.018 CV 1 OR { 2941} ( segid " " and resid 1031 and name HD1%) (( segid " " and resid 1031 and name HB2 )) ASSI { 1113} ( segid " " and resid 928 and name HB% ) ( segid " " and resid 966 and name HD1%) 4.200 2.200 1.800 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.58777E-03 ppm1 1.649 ppm2 -0.047 CV 1 ASSI { 2837} (( segid " " and resid 1028 and name HA2 )) (( segid " " and resid 1028 and name HA3 )) 2.000 0.500 0.500 peak 2837 spectrum 1 weight 0.10000E+01 volume 0.85750E-02 ppm1 3.704 ppm2 4.084 CV 1 ASSI { 3459} (( segid " " and resid 980 and name HA )) (( segid " " and resid 983 and name H )) 3.000 1.200 1.200 peak 3459 spectrum 1 weight 0.10000E+01 volume 0.16122E-02 ppm1 4.256 ppm2 7.787 CV 1 ASSI { 1587} ( segid " " and resid 1031 and name HD2%) ( segid " " and resid 966 and name HD1%) 4.000 2.000 2.000 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.55419E-03 ppm1 0.939 ppm2 -0.053 CV 1 ASSI { 3241} ( segid " " and resid 966 and name HD1%) ( segid " " and resid 921 and name HB% ) 2.700 0.900 0.900 peak 3241 spectrum 1 weight 0.10000E+01 volume 0.50716E-02 ppm1 -0.046 ppm2 1.168 CV 1 ASSI { 2572} (( segid " " and resid 1039 and name HA )) (( segid " " and resid 1039 and name H )) 2.600 0.800 0.800 peak 2572 spectrum 1 weight 0.10000E+01 volume 0.43663E-02 ppm1 3.944 ppm2 7.846 CV 1 ASSI { 475} (( segid " " and resid 1024 and name HA )) ( segid " " and resid 1001 and name HG2%) 3.200 1.300 1.300 peak 475 spectrum 1 weight 0.10000E+01 volume 0.15618E-02 ppm1 3.920 ppm2 1.021 CV 1 ASSI { 1548} ( segid " " and resid 967 and name HG1%) (( segid " " and resid 970 and name HB )) 3.200 1.300 1.300 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.14879E-02 ppm1 0.791 ppm2 2.175 CV 1 ASSI { 2170} ( segid " " and resid 931 and name HG2%) (( segid " " and resid 1024 and name HA )) 2.700 0.900 0.900 peak 2170 spectrum 1 weight 0.10000E+01 volume 0.33688E-02 ppm1 0.960 ppm2 3.916 CV 1 ASSI { 1498} ( segid " " and resid 1008 and name HG1%) (( segid " " and resid 1021 and name H )) 3.200 1.300 1.300 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.18003E-02 ppm1 0.898 ppm2 8.394 CV 1 ASSI { 827} ( segid " " and resid 959 and name HG1%) (( segid " " and resid 959 and name H )) 3.500 1.500 1.500 peak 827 spectrum 1 weight 0.10000E+01 volume 0.26970E-02 ppm1 0.850 ppm2 7.551 CV 1 ASSI { 1444} (( segid " " and resid 957 and name HA )) (( segid " " and resid 957 and name HB3 )) 2.300 0.700 0.700 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.87561E-02 ppm1 3.933 ppm2 1.849 CV 1 OR { 1444} (( segid " " and resid 957 and name HA )) (( segid " " and resid 957 and name HB2 )) ASSI { 1857} (( segid " " and resid 930 and name HA )) (( segid " " and resid 933 and name H )) 3.100 1.200 1.200 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.13569E-02 ppm1 4.112 ppm2 7.554 CV 1 ASSI { 2337} (( segid " " and resid 980 and name HA )) (( segid " " and resid 983 and name HG2 )) 3.600 1.700 1.700 peak 2337 spectrum 1 weight 0.10000E+01 volume 0.68184E-03 ppm1 4.255 ppm2 2.700 CV 1 ASSI { 3255} (( segid " " and resid 945 and name HB3 )) ( segid " " and resid 944 and name HB% ) 3.500 1.500 1.500 peak 3255 spectrum 1 weight 0.10000E+01 volume 0.76913E-03 ppm1 3.859 ppm2 1.369 CV 1 ASSI { 67} (( segid " " and resid 994 and name HB2 )) (( segid " " and resid 994 and name HB3 )) 2.000 0.500 0.500 peak 67 spectrum 1 weight 0.10000E+01 volume 0.53571E-02 ppm1 1.449 ppm2 1.922 CV 1 ASSI { 3215} (( segid " " and resid 980 and name HD3 )) (( segid " " and resid 980 and name HG3 )) 2.500 0.800 0.800 peak 3215 spectrum 1 weight 0.10000E+01 volume 0.26903E-02 ppm1 3.988 ppm2 2.121 CV 1 ASSI { 1480} (( segid " " and resid 943 and name HA )) (( segid " " and resid 943 and name H )) 2.900 1.000 1.000 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.24418E-02 ppm1 4.248 ppm2 8.339 CV 1 ASSI { 1166} (( segid " " and resid 984 and name HB3 )) (( segid " " and resid 984 and name H )) 3.400 1.400 1.400 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.26030E-02 ppm1 1.561 ppm2 8.314 CV 1 ASSI { 2894} ( segid " " and resid 1030 and name HB% ) (( segid " " and resid 927 and name HB3 )) 2.900 1.000 1.000 peak 2894 spectrum 1 weight 0.10000E+01 volume 0.22100E-02 ppm1 1.507 ppm2 3.756 CV 1 ASSI { 1392} (( segid " " and resid 991 and name HA )) (( segid " " and resid 993 and name H )) 3.700 1.700 1.700 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.42991E-03 ppm1 3.999 ppm2 7.678 CV 1 ASSI { 746} ( segid " " and resid 935 and name HB% ) (( segid " " and resid 936 and name HB2 )) 3.900 1.900 1.900 peak 746 spectrum 1 weight 0.10000E+01 volume 0.91693E-03 ppm1 1.354 ppm2 2.140 CV 1 ASSI { 942} ( segid " " and resid 913 and name HD1%) (( segid " " and resid 1040 and name HD2 )) 3.500 1.500 1.500 peak 942 spectrum 1 weight 0.10000E+01 volume 0.15081E-02 ppm1 0.855 ppm2 1.564 CV 1 OR { 942} ( segid " " and resid 913 and name HD1%) (( segid " " and resid 1040 and name HG2 )) OR { 942} ( segid " " and resid 913 and name HD1%) (( segid " " and resid 1040 and name HD3 )) ASSI { 2438} (( segid " " and resid 929 and name HA )) ( segid " " and resid 928 and name HB% ) 3.800 1.800 1.800 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.63813E-03 ppm1 3.723 ppm2 1.644 CV 1 ASSI { 557} (( segid " " and resid 919 and name HA )) (( segid " " and resid 922 and name H )) 2.900 1.100 1.100 peak 557 spectrum 1 weight 0.10000E+01 volume 0.20085E-02 ppm1 4.122 ppm2 8.133 CV 1 ASSI { 2067} (( segid " " and resid 981 and name HA )) (( segid " " and resid 980 and name HB2 )) 3.500 1.500 1.500 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.59785E-03 ppm1 4.115 ppm2 1.945 CV 1 ASSI { 3170} (( segid " " and resid 999 and name HA )) (( segid " " and resid 999 and name HG3 )) 3.100 1.200 1.200 peak 3170 spectrum 1 weight 0.10000E+01 volume 0.17264E-02 ppm1 4.043 ppm2 1.502 CV 1 ASSI { 235} ( segid " " and resid 1008 and name HG2%) (( segid " " and resid 1021 and name HB3 )) 3.400 1.500 1.500 peak 235 spectrum 1 weight 0.10000E+01 volume 0.39296E-02 ppm1 1.103 ppm2 4.037 CV 1 ASSI { 2504} (( segid " " and resid 929 and name HA )) (( segid " " and resid 930 and name H )) 3.300 1.400 1.400 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.99417E-03 ppm1 3.719 ppm2 7.887 CV 1 ASSI { 2844} (( segid " " and resid 1006 and name HA )) (( segid " " and resid 1009 and name HD2 )) 3.200 1.200 1.200 peak 2844 spectrum 1 weight 0.10000E+01 volume 0.11957E-02 ppm1 4.120 ppm2 3.577 CV 1 OR { 2844} (( segid " " and resid 1006 and name HA )) (( segid " " and resid 1009 and name HD3 )) ASSI { 805} ( segid " " and resid 1020 and name HD1%) (( segid " " and resid 952 and name HG )) 2.300 2.300 3.700 peak 805 spectrum 1 weight 0.10000E+01 volume 0.37282E-02 ppm1 0.756 ppm2 1.405 CV 1 ASSI { 320} (( segid " " and resid 1023 and name HA )) (( segid " " and resid 1026 and name HB2 )) 2.800 1.000 1.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.21059E-02 ppm1 4.118 ppm2 2.928 CV 1 ASSI { 2626} (( segid " " and resid 918 and name HA )) (( segid " " and resid 918 and name H )) 2.800 1.000 1.000 peak 2626 spectrum 1 weight 0.10000E+01 volume 0.22234E-02 ppm1 3.645 ppm2 8.752 CV 1 ASSI { 542} (( segid " " and resid 979 and name HA )) (( segid " " and resid 979 and name HB2 )) 2.900 1.000 1.000 peak 542 spectrum 1 weight 0.10000E+01 volume 0.15249E-02 ppm1 4.925 ppm2 4.087 CV 1 ASSI { 772} ( segid " " and resid 967 and name HG1%) (( segid " " and resid 971 and name HB3 )) 3.600 1.600 1.600 peak 772 spectrum 1 weight 0.10000E+01 volume 0.14039E-02 ppm1 0.792 ppm2 1.786 CV 1 OR { 772} ( segid " " and resid 967 and name HG1%) (( segid " " and resid 971 and name HB2 )) ASSI { 526} (( segid " " and resid 971 and name HD2 )) (( segid " " and resid 971 and name HG2 )) 2.300 0.700 0.700 peak 526 spectrum 1 weight 0.10000E+01 volume 0.77080E-02 ppm1 3.079 ppm2 1.706 CV 1 OR { 526} (( segid " " and resid 971 and name HD3 )) (( segid " " and resid 971 and name HG2 )) ASSI { 2323} (( segid " " and resid 910 and name HG3 )) (( segid " " and resid 911 and name H )) 4.100 2.100 1.900 peak 2323 spectrum 1 weight 0.10000E+01 volume 0.85983E-03 ppm1 1.715 ppm2 8.107 CV 1 ASSI { 1852} (( segid " " and resid 908 and name HG13)) ( segid " " and resid 908 and name HD1%) 2.800 1.000 1.000 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.28683E-02 ppm1 1.088 ppm2 0.785 CV 1 OR { 1852} (( segid " " and resid 908 and name HG13)) ( segid " " and resid 908 and name HG2%) ASSI { 3549} (( segid " " and resid 964 and name HG3 )) ( segid " " and resid 963 and name HG2%) 3.900 1.900 1.900 peak 3549 spectrum 1 weight 0.10000E+01 volume 0.10446E-02 ppm1 1.925 ppm2 0.838 CV 1 ASSI { 1925} (( segid " " and resid 995 and name HG2 )) (( segid " " and resid 995 and name HA )) 3.200 1.300 1.300 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.25123E-02 ppm1 2.292 ppm2 4.303 CV 1 ASSI { 2111} (( segid " " and resid 1008 and name HA )) ( segid " " and resid 1020 and name HD1%) 3.200 1.300 1.300 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.13065E-02 ppm1 3.633 ppm2 0.751 CV 1 ASSI { 1413} (( segid " " and resid 1033 and name HA )) ( segid " " and resid 1032 and name HB% ) 3.500 1.500 1.500 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.12629E-02 ppm1 4.166 ppm2 1.549 CV 1 ASSI { 3223} ( segid " " and resid 967 and name HG1%) (( segid " " and resid 971 and name HG2 )) 3.100 1.200 1.200 peak 3223 spectrum 1 weight 0.10000E+01 volume 0.26500E-02 ppm1 0.793 ppm2 1.707 CV 1 ASSI { 3095} ( segid " " and resid 970 and name HG2%) (( segid " " and resid 970 and name HA )) 2.300 0.700 0.700 peak 3095 spectrum 1 weight 0.10000E+01 volume 0.70366E-02 ppm1 0.917 ppm2 3.437 CV 1 ASSI { 1429} (( segid " " and resid 973 and name HB2 )) (( segid " " and resid 970 and name HA )) 3.600 1.600 1.600 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.74563E-03 ppm1 3.567 ppm2 3.442 CV 1 ASSI { 1822} (( segid " " and resid 1020 and name HA )) (( segid " " and resid 1023 and name HB2 )) 3.100 1.200 1.200 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.10210E-02 ppm1 3.931 ppm2 3.323 CV 1 ASSI { 82} (( segid " " and resid 947 and name HA2 )) (( segid " " and resid 948 and name HG2 )) 4.500 2.500 1.500 peak 82 spectrum 1 weight 0.10000E+01 volume 0.72883E-03 ppm1 4.096 ppm2 1.920 CV 1 OR { 82} (( segid " " and resid 947 and name HA2 )) (( segid " " and resid 948 and name HG3 )) ASSI { 1333} ( segid " " and resid 963 and name HD1%) (( segid " " and resid 960 and name H )) 3.000 1.200 1.200 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.74228E-03 ppm1 0.935 ppm2 8.670 CV 1 ASSI { 425} (( segid " " and resid 956 and name HA )) ( segid " " and resid 1000 and name HE% ) 3.300 1.400 1.400 peak 425 spectrum 1 weight 0.10000E+01 volume 0.11184E-02 ppm1 4.233 ppm2 1.976 CV 1 ASSI { 2967} ( segid " " and resid 975 and name HB% ) (( segid " " and resid 976 and name HB2 )) 3.800 1.800 1.800 peak 2967 spectrum 1 weight 0.10000E+01 volume 0.93708E-03 ppm1 1.466 ppm2 1.965 CV 1 ASSI { 167} (( segid " " and resid 1006 and name HA )) (( segid " " and resid 1009 and name HG3 )) 3.500 1.500 1.500 peak 167 spectrum 1 weight 0.10000E+01 volume 0.81953E-03 ppm1 4.121 ppm2 1.924 CV 1 OR { 167} (( segid " " and resid 1006 and name HA )) (( segid " " and resid 1009 and name HG2 )) ASSI { 2179} (( segid " " and resid 994 and name HB3 )) (( segid " " and resid 994 and name HG )) 3.400 1.400 1.400 peak 2179 spectrum 1 weight 0.10000E+01 volume 0.11319E-02 ppm1 1.919 ppm2 2.300 CV 1 ASSI { 2545} ( segid " " and resid 1002 and name HB% ) (( segid " " and resid 1002 and name H )) 2.000 0.500 0.500 peak 2545 spectrum 1 weight 0.10000E+01 volume 0.19793E-01 ppm1 1.410 ppm2 7.632 CV 1 ASSI { 380} ( segid " " and resid 934 and name HB% ) (( segid " " and resid 1023 and name HB3 )) 3.400 1.400 1.400 peak 380 spectrum 1 weight 0.10000E+01 volume 0.14308E-02 ppm1 1.518 ppm2 2.795 CV 1 ASSI { 329} (( segid " " and resid 1034 and name HB3 )) ( segid " " and resid 1034 and name HD1%) 3.600 1.600 1.600 peak 329 spectrum 1 weight 0.10000E+01 volume 0.15954E-02 ppm1 1.226 ppm2 0.822 CV 1 ASSI { 3493} ( segid " " and resid 925 and name HB% ) (( segid " " and resid 966 and name HB3 )) 2.900 1.100 1.100 peak 3493 spectrum 1 weight 0.10000E+01 volume 0.15887E-02 ppm1 1.231 ppm2 1.586 CV 1 ASSI { 693} (( segid " " and resid 983 and name HA )) ( segid " " and resid 914 and name HG2%) 3.800 1.800 1.800 peak 693 spectrum 1 weight 0.10000E+01 volume 0.79938E-03 ppm1 3.862 ppm2 0.796 CV 1 ASSI { 1488} ( segid " " and resid 994 and name HD2%) (( segid " " and resid 994 and name H )) 3.200 1.300 1.300 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.33587E-02 ppm1 0.918 ppm2 7.248 CV 1 ASSI { 537} ( segid " " and resid 970 and name HG2%) ( segid " " and resid 966 and name HD2%) 3.200 1.300 1.300 peak 537 spectrum 1 weight 0.10000E+01 volume 0.17936E-02 ppm1 0.917 ppm2 0.487 CV 1 ASSI { 2784} (( segid " " and resid 1003 and name HA )) ( segid " " and resid 952 and name HD2%) 4.000 2.000 2.000 peak 2784 spectrum 1 weight 0.10000E+01 volume 0.87663E-03 ppm1 4.032 ppm2 0.707 CV 1 ASSI { 1001} (( segid " " and resid 983 and name HA )) (( segid " " and resid 986 and name HB3 )) 3.400 1.400 1.400 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.12494E-02 ppm1 3.860 ppm2 1.371 CV 1 ASSI { 684} (( segid " " and resid 923 and name HG2 )) (( segid " " and resid 924 and name H )) 3.400 1.400 1.400 peak 684 spectrum 1 weight 0.10000E+01 volume 0.84638E-03 ppm1 2.207 ppm2 8.228 CV 1 ASSI { 2514} ( segid " " and resid 1034 and name HD1%) (( segid " " and resid 921 and name H )) 3.000 1.100 1.100 peak 2514 spectrum 1 weight 0.10000E+01 volume 0.21193E-02 ppm1 0.822 ppm2 9.024 CV 1 ASSI { 39} ( segid " " and resid 963 and name HG2%) (( segid " " and resid 965 and name H )) 4.000 2.000 2.000 peak 39 spectrum 1 weight 0.10000E+01 volume 0.55754E-03 ppm1 0.848 ppm2 6.854 CV 1 ASSI { 2921} ( segid " " and resid 1027 and name HD1%) (( segid " " and resid 928 and name H )) 2.800 1.000 1.000 peak 2921 spectrum 1 weight 0.10000E+01 volume 0.28986E-02 ppm1 0.932 ppm2 8.953 CV 1 ASSI { 404} (( segid " " and resid 1011 and name HA )) ( segid " " and resid 938 and name HB% ) 4.400 2.400 1.600 peak 404 spectrum 1 weight 0.10000E+01 volume 0.59785E-03 ppm1 3.963 ppm2 1.371 CV 1 ASSI { 3090} ( segid " " and resid 932 and name HD1%) (( segid " " and resid 956 and name HB2 )) 3.900 1.900 1.900 peak 3090 spectrum 1 weight 0.10000E+01 volume 0.70533E-03 ppm1 0.826 ppm2 3.231 CV 1 ASSI { 1457} ( segid " " and resid 1000 and name HE% ) (( segid " " and resid 931 and name H )) 3.500 1.600 1.600 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.24653E-02 ppm1 1.975 ppm2 8.038 CV 1 ASSI { 1873} (( segid " " and resid 964 and name HG3 )) (( segid " " and resid 965 and name H )) 4.100 2.100 1.900 peak 1873 spectrum 1 weight 0.10000E+01 volume 0.90347E-03 ppm1 1.927 ppm2 6.860 CV 1 ASSI { 1758} (( segid " " and resid 930 and name HG3 )) (( segid " " and resid 930 and name HE22)) 4.300 2.400 1.700 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.55754E-03 ppm1 2.447 ppm2 6.769 CV 1 ASSI { 114} ( segid " " and resid 959 and name HG2%) (( segid " " and resid 998 and name H )) 4.300 2.300 1.700 peak 114 spectrum 1 weight 0.10000E+01 volume 0.69864E-03 ppm1 0.751 ppm2 8.272 CV 1 ASSI { 1420} (( segid " " and resid 918 and name HA )) (( segid " " and resid 921 and name H )) 3.400 1.400 1.400 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.81277E-03 ppm1 3.644 ppm2 9.024 CV 1 ASSI { 2734} (( segid " " and resid 908 and name HG13)) (( segid " " and resid 908 and name HB )) 3.300 1.400 1.400 peak 2734 spectrum 1 weight 0.10000E+01 volume 0.77248E-03 ppm1 1.089 ppm2 1.714 CV 1 ASSI { 220} ( segid " " and resid 987 and name HD1%) (( segid " " and resid 984 and name HB3 )) 3.100 3.100 2.900 peak 220 spectrum 1 weight 0.10000E+01 volume 0.67843E-03 ppm1 0.715 ppm2 1.558 CV 1 ASSI { 1471} (( segid " " and resid 977 and name HA )) (( segid " " and resid 977 and name HG2 )) 3.800 1.800 1.800 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.13133E-02 ppm1 4.483 ppm2 1.911 CV 1 ASSI { 1079} ( segid " " and resid 970 and name HG1%) (( segid " " and resid 974 and name HE22)) 3.400 1.400 1.400 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.14980E-02 ppm1 0.726 ppm2 6.550 CV 1 ASSI { 2962} ( segid " " and resid 987 and name HD1%) ( segid " " and resid 1041 and name HB% ) 2.400 0.700 0.700 peak 2962 spectrum 1 weight 0.10000E+01 volume 0.62037E-02 ppm1 0.711 ppm2 1.305 CV 1 ASSI { 2258} (( segid " " and resid 1004 and name HA )) (( segid " " and resid 1004 and name H )) 2.700 0.900 0.900 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.32109E-02 ppm1 3.867 ppm2 8.807 CV 1 ASSI { 2278} ( segid " " and resid 959 and name HG2%) (( segid " " and resid 959 and name H )) 2.200 0.600 0.600 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.77684E-02 ppm1 0.751 ppm2 7.552 CV 1 ASSI { 1348} (( segid " " and resid 1019 and name HG3 )) ( segid " " and resid 934 and name HB% ) 2.400 0.700 0.700 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.63347E-02 ppm1 2.365 ppm2 1.516 CV 1 OR { 1348} (( segid " " and resid 1019 and name HG2 )) ( segid " " and resid 934 and name HB% ) ASSI { 2780} (( segid " " and resid 1021 and name HB3 )) (( segid " " and resid 1021 and name HA )) 2.800 1.000 1.000 peak 2780 spectrum 1 weight 0.10000E+01 volume 0.47828E-02 ppm1 4.034 ppm2 3.853 CV 1 ASSI { 1162} (( segid " " and resid 1042 and name HA )) (( segid " " and resid 987 and name HG12)) 3.800 1.800 1.800 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.14778E-02 ppm1 4.114 ppm2 1.736 CV 1 ASSI { 273} (( segid " " and resid 983 and name HA )) (( segid " " and resid 983 and name HB2 )) 3.000 1.100 1.100 peak 273 spectrum 1 weight 0.10000E+01 volume 0.24317E-02 ppm1 3.859 ppm2 2.197 CV 1 ASSI { 3021} ( segid " " and resid 965 and name HD1%) (( segid " " and resid 965 and name H )) 3.400 1.500 1.500 peak 3021 spectrum 1 weight 0.10000E+01 volume 0.29019E-02 ppm1 0.938 ppm2 6.858 CV 1 ASSI { 759} (( segid " " and resid 967 and name HA )) ( segid " " and resid 925 and name HB% ) 3.900 1.900 1.900 peak 759 spectrum 1 weight 0.10000E+01 volume 0.65493E-03 ppm1 3.279 ppm2 1.228 CV 1 ASSI { 1632} (( segid " " and resid 984 and name HB3 )) (( segid " " and resid 984 and name HA )) 2.600 0.900 0.900 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.30564E-02 ppm1 1.564 ppm2 3.977 CV 1 ASSI { 2813} ( segid " " and resid 970 and name HG1%) (( segid " " and resid 970 and name HA )) 2.400 0.700 0.700 peak 2813 spectrum 1 weight 0.10000E+01 volume 0.59849E-02 ppm1 0.727 ppm2 3.437 CV 1 ASSI { 2606} (( segid " " and resid 1034 and name HA )) ( segid " " and resid 1034 and name HD2%) 4.000 2.000 2.000 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.12494E-02 ppm1 3.961 ppm2 0.903 CV 1 ASSI { 2414} (( segid " " and resid 930 and name HG3 )) ( segid " " and resid 929 and name HG2%) 4.200 2.200 1.800 peak 2414 spectrum 1 weight 0.10000E+01 volume 0.56090E-03 ppm1 2.446 ppm2 1.231 CV 1 ASSI { 1521} ( segid " " and resid 987 and name HG2%) (( segid " " and resid 1042 and name HG2 )) 3.700 1.700 1.700 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.22369E-02 ppm1 0.801 ppm2 2.425 CV 1 ASSI { 776} ( segid " " and resid 965 and name HD1%) (( segid " " and resid 965 and name HG )) 2.200 0.600 0.600 peak 776 spectrum 1 weight 0.10000E+01 volume 0.10788E-01 ppm1 0.938 ppm2 1.724 CV 1 ASSI { 3545} ( segid " " and resid 1020 and name HD2%) (( segid " " and resid 1023 and name HB3 )) 3.800 1.800 1.800 peak 3545 spectrum 1 weight 0.10000E+01 volume 0.11084E-02 ppm1 0.815 ppm2 2.792 CV 1 ASSI { 2989} ( segid " " and resid 1008 and name HG1%) ( segid " " and resid 1017 and name HB% ) 2.300 0.700 0.700 peak 2989 spectrum 1 weight 0.10000E+01 volume 0.80578E-02 ppm1 0.896 ppm2 1.494 CV 1 ASSI { 1301} (( segid " " and resid 1040 and name HE2 )) (( segid " " and resid 1037 and name HA )) 3.300 1.400 1.400 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.81618E-03 ppm1 2.827 ppm2 3.969 CV 1 ASSI { 3110} ( segid " " and resid 935 and name HB% ) (( segid " " and resid 935 and name HA )) 2.100 0.500 0.500 peak 3110 spectrum 1 weight 0.10000E+01 volume 0.13438E-01 ppm1 1.354 ppm2 3.892 CV 1 ASSI { 1550} (( segid " " and resid 931 and name HA )) (( segid " " and resid 931 and name HG1 )) 3.000 1.100 1.100 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.15517E-02 ppm1 3.805 ppm2 3.972 CV 1 ASSI { 34} (( segid " " and resid 1026 and name HB3 )) (( segid " " and resid 1026 and name H )) 3.200 1.300 1.300 peak 34 spectrum 1 weight 0.10000E+01 volume 0.27407E-02 ppm1 2.858 ppm2 8.124 CV 1 ASSI { 3160} (( segid " " and resid 971 and name HA )) (( segid " " and resid 971 and name HB2 )) 2.400 0.700 0.700 peak 3160 spectrum 1 weight 0.10000E+01 volume 0.61194E-02 ppm1 3.948 ppm2 1.786 CV 1 OR { 3160} (( segid " " and resid 971 and name HA )) (( segid " " and resid 971 and name HB3 )) ASSI { 280} (( segid " " and resid 987 and name HA )) ( segid " " and resid 1038 and name HB% ) 3.100 1.200 1.200 peak 280 spectrum 1 weight 0.10000E+01 volume 0.14778E-02 ppm1 3.363 ppm2 1.396 CV 1 ASSI { 1128} (( segid " " and resid 962 and name HA )) (( segid " " and resid 965 and name HB2 )) 3.000 1.100 1.100 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.10412E-02 ppm1 4.369 ppm2 1.562 CV 1 ASSI { 460} (( segid " " and resid 915 and name HA )) (( segid " " and resid 915 and name HB3 )) 2.700 0.900 0.900 peak 460 spectrum 1 weight 0.10000E+01 volume 0.36005E-02 ppm1 3.846 ppm2 1.728 CV 1 ASSI { 1671} (( segid " " and resid 993 and name HA )) (( segid " " and resid 996 and name HG3 )) 3.400 1.400 1.400 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.18003E-02 ppm1 4.049 ppm2 1.763 CV 1 ASSI { 1074} (( segid " " and resid 1012 and name HG3 )) (( segid " " and resid 1013 and name H )) 3.900 1.900 1.900 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.60794E-03 ppm1 2.372 ppm2 7.542 CV 1 OR { 1074} (( segid " " and resid 1012 and name HG2 )) (( segid " " and resid 1013 and name H )) ASSI { 415} (( segid " " and resid 1043 and name HG2 )) (( segid " " and resid 1043 and name HB2 )) 3.100 1.200 1.200 peak 415 spectrum 1 weight 0.10000E+01 volume 0.27642E-02 ppm1 2.230 ppm2 1.928 CV 1 ASSI { 2415} (( segid " " and resid 910 and name HB2 )) (( segid " " and resid 910 and name HB3 )) 1.800 0.400 0.400 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.19628E-01 ppm1 2.106 ppm2 1.693 CV 1 OR { 2415} (( segid " " and resid 910 and name HB2 )) (( segid " " and resid 910 and name HG3 )) ASSI { 3025} (( segid " " and resid 1036 and name HA )) (( segid " " and resid 1039 and name H )) 3.100 1.200 1.200 peak 3025 spectrum 1 weight 0.10000E+01 volume 0.15551E-02 ppm1 3.923 ppm2 7.846 CV 1 ASSI { 3131} (( segid " " and resid 955 and name HA )) (( segid " " and resid 955 and name HB2 )) 2.500 0.800 0.800 peak 3131 spectrum 1 weight 0.10000E+01 volume 0.54075E-02 ppm1 4.197 ppm2 3.783 CV 1 OR { 3131} (( segid " " and resid 955 and name HA )) (( segid " " and resid 955 and name HB3 )) ASSI { 2688} (( segid " " and resid 1039 and name HG3 )) (( segid " " and resid 1039 and name HE22)) 4.300 2.300 1.700 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.56426E-03 ppm1 2.256 ppm2 6.693 CV 1 ASSI { 109} ( segid " " and resid 935 and name HB% ) (( segid " " and resid 936 and name HG2 )) 3.500 1.600 1.600 peak 109 spectrum 1 weight 0.10000E+01 volume 0.10076E-02 ppm1 1.354 ppm2 2.543 CV 1 ASSI { 127} ( segid " " and resid 994 and name HD1%) (( segid " " and resid 994 and name HB2 )) 2.200 0.600 0.600 peak 127 spectrum 1 weight 0.10000E+01 volume 0.61870E-02 ppm1 0.933 ppm2 1.453 CV 1 ASSI { 2151} (( segid " " and resid 979 and name HA )) ( segid " " and resid 982 and name HB% ) 4.100 2.100 1.900 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.60459E-03 ppm1 4.928 ppm2 1.458 CV 1 ASSI { 1402} ( segid " " and resid 1032 and name HB% ) (( segid " " and resid 1029 and name HA )) 2.400 0.700 0.700 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.62539E-02 ppm1 1.551 ppm2 4.026 CV 1 ASSI { 158} (( segid " " and resid 1012 and name HA )) (( segid " " and resid 1013 and name H )) 3.200 1.200 1.200 peak 158 spectrum 1 weight 0.10000E+01 volume 0.15685E-02 ppm1 4.000 ppm2 7.547 CV 1 ASSI { 951} (( segid " " and resid 1031 and name HB3 )) (( segid " " and resid 1031 and name HB2 )) 2.100 0.500 0.500 peak 951 spectrum 1 weight 0.10000E+01 volume 0.51019E-02 ppm1 1.463 ppm2 2.023 CV 1 ASSI { 2164} (( segid " " and resid 956 and name HA )) (( segid " " and resid 932 and name HG12)) 3.000 1.100 1.100 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.11789E-02 ppm1 4.231 ppm2 0.936 CV 1 ASSI { 2409} ( segid " " and resid 1011 and name HG2%) (( segid " " and resid 1013 and name HB2 )) 2.800 1.000 1.000 peak 2409 spectrum 1 weight 0.10000E+01 volume 0.28112E-02 ppm1 0.949 ppm2 2.621 CV 1 OR { 2409} ( segid " " and resid 1011 and name HG2%) (( segid " " and resid 1013 and name HB3 )) ASSI { 3045} ( segid " " and resid 1032 and name HB% ) (( segid " " and resid 1035 and name HB3 )) 3.500 1.500 1.500 peak 3045 spectrum 1 weight 0.10000E+01 volume 0.15383E-02 ppm1 1.551 ppm2 2.050 CV 1 ASSI { 3024} (( segid " " and resid 983 and name HG3 )) (( segid " " and resid 983 and name HE22)) 4.100 2.100 1.900 peak 3024 spectrum 1 weight 0.10000E+01 volume 0.87998E-03 ppm1 2.259 ppm2 6.688 CV 1 ASSI { 3117} ( segid " " and resid 1008 and name HG2%) (( segid " " and resid 1005 and name H )) 4.100 2.100 1.900 peak 3117 spectrum 1 weight 0.10000E+01 volume 0.66838E-03 ppm1 1.103 ppm2 8.231 CV 1 ASSI { 479} (( segid " " and resid 931 and name HB )) (( segid " " and resid 931 and name HG1 )) 2.600 0.800 0.800 peak 479 spectrum 1 weight 0.10000E+01 volume 0.29355E-02 ppm1 4.234 ppm2 3.973 CV 1 ASSI { 325} (( segid " " and resid 995 and name HG3 )) (( segid " " and resid 995 and name HG2 )) 1.600 0.300 0.600 peak 325 spectrum 1 weight 0.10000E+01 volume 0.29187E-01 ppm1 2.403 ppm2 2.289 CV 1 ASSI { 2505} (( segid " " and resid 969 and name HA3 )) ( segid " " and resid 989 and name HB% ) 3.300 1.300 1.300 peak 2505 spectrum 1 weight 0.10000E+01 volume 0.96392E-03 ppm1 3.326 ppm2 1.395 CV 1 ASSI { 811} (( segid " " and resid 963 and name HA )) (( segid " " and resid 962 and name H )) 4.700 2.700 1.300 peak 811 spectrum 1 weight 0.10000E+01 volume 0.54075E-03 ppm1 3.691 ppm2 7.468 CV 1 ASSI { 1803} ( segid " " and resid 1011 and name HD1%) (( segid " " and resid 1011 and name HB )) 2.600 0.800 0.800 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.39498E-02 ppm1 0.610 ppm2 1.847 CV 1 ASSI { 848} (( segid " " and resid 910 and name HG3 )) (( segid " " and resid 910 and name HD2 )) 3.200 1.300 1.300 peak 848 spectrum 1 weight 0.10000E+01 volume 0.21059E-02 ppm1 1.715 ppm2 3.768 CV 1 ASSI { 3489} (( segid " " and resid 919 and name HA )) (( segid " " and resid 922 and name HG3 )) 3.200 1.300 1.300 peak 3489 spectrum 1 weight 0.10000E+01 volume 0.87663E-03 ppm1 4.126 ppm2 1.633 CV 1 ASSI { 2156} (( segid " " and resid 996 and name HD3 )) (( segid " " and resid 996 and name HB2 )) 3.700 1.700 1.700 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.12259E-02 ppm1 3.490 ppm2 2.009 CV 1 ASSI { 3293} (( segid " " and resid 1026 and name HA )) ( segid " " and resid 1029 and name HG2%) 3.800 1.800 1.800 peak 3293 spectrum 1 weight 0.10000E+01 volume 0.12091E-02 ppm1 4.416 ppm2 1.236 CV 1 ASSI { 3326} (( segid " " and resid 929 and name HA )) (( segid " " and resid 929 and name H )) 2.700 0.900 0.900 peak 3326 spectrum 1 weight 0.10000E+01 volume 0.29456E-02 ppm1 3.720 ppm2 8.343 CV 1 ASSI { 2952} (( segid " " and resid 990 and name HB3 )) ( segid " " and resid 966 and name HD2%) 4.200 2.300 1.800 peak 2952 spectrum 1 weight 0.10000E+01 volume 0.44335E-03 ppm1 3.394 ppm2 0.486 CV 1 ASSI { 1524} (( segid " " and resid 967 and name HA )) (( segid " " and resid 971 and name H )) 3.700 1.700 1.700 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.91023E-03 ppm1 3.276 ppm2 8.298 CV 1 ASSI { 45} (( segid " " and resid 999 and name HA )) ( segid " " and resid 1002 and name HB% ) 2.600 0.800 0.800 peak 45 spectrum 1 weight 0.10000E+01 volume 0.46484E-02 ppm1 4.043 ppm2 1.407 CV 1 ASSI { 453} ( segid " " and resid 925 and name HB% ) (( segid " " and resid 925 and name HA )) 2.000 0.500 0.500 peak 453 spectrum 1 weight 0.10000E+01 volume 0.16175E-01 ppm1 1.231 ppm2 3.714 CV 1 ASSI { 3457} (( segid " " and resid 984 and name HG )) (( segid " " and resid 984 and name H )) 3.100 1.200 1.200 peak 3457 spectrum 1 weight 0.10000E+01 volume 0.29153E-02 ppm1 1.738 ppm2 8.314 CV 1 ASSI { 930} ( segid " " and resid 932 and name HG2%) (( segid " " and resid 933 and name H )) 3.100 1.200 1.200 peak 930 spectrum 1 weight 0.10000E+01 volume 0.28280E-02 ppm1 0.850 ppm2 7.555 CV 1 ASSI { 3233} ( segid " " and resid 963 and name HG2%) (( segid " " and resid 967 and name H )) 3.400 1.400 1.400 peak 3233 spectrum 1 weight 0.10000E+01 volume 0.15013E-02 ppm1 0.848 ppm2 8.213 CV 1 ASSI { 2554} ( segid " " and resid 912 and name HG2%) (( segid " " and resid 912 and name HA )) 2.400 0.700 0.700 peak 2554 spectrum 1 weight 0.10000E+01 volume 0.81044E-02 ppm1 1.228 ppm2 4.196 CV 1 ASSI { 233} (( segid " " and resid 955 and name HA )) (( segid " " and resid 958 and name H )) 3.300 1.300 1.300 peak 233 spectrum 1 weight 0.10000E+01 volume 0.10613E-02 ppm1 4.198 ppm2 7.562 CV 1 ASSI { 2036} ( segid " " and resid 959 and name HG2%) (( segid " " and resid 959 and name HA )) 2.300 0.700 0.700 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.69894E-02 ppm1 0.750 ppm2 3.391 CV 1 ASSI { 2630} ( segid " " and resid 959 and name HG1%) (( segid " " and resid 932 and name HG13)) 3.200 1.300 1.300 peak 2630 spectrum 1 weight 0.10000E+01 volume 0.13603E-02 ppm1 0.848 ppm2 1.808 CV 1 ASSI { 497} (( segid " " and resid 981 and name HA )) (( segid " " and resid 981 and name HB3 )) 2.400 0.700 0.700 peak 497 spectrum 1 weight 0.10000E+01 volume 0.64788E-02 ppm1 4.119 ppm2 3.776 CV 1 OR { 497} (( segid " " and resid 981 and name HA )) (( segid " " and resid 981 and name HB2 )) ASSI { 3180} ( segid " " and resid 1000 and name HE% ) ( segid " " and resid 928 and name HB% ) 2.400 0.700 0.700 peak 3180 spectrum 1 weight 0.10000E+01 volume 0.63813E-02 ppm1 1.974 ppm2 1.646 CV 1 ASSI { 2216} (( segid " " and resid 948 and name HD3 )) (( segid " " and resid 948 and name HB2 )) 3.800 1.800 1.800 peak 2216 spectrum 1 weight 0.10000E+01 volume 0.14812E-02 ppm1 3.547 ppm2 2.168 CV 1 ASSI { 546} (( segid " " and resid 963 and name HA )) (( segid " " and resid 967 and name H )) 3.600 1.600 1.600 peak 546 spectrum 1 weight 0.10000E+01 volume 0.68518E-03 ppm1 3.694 ppm2 8.216 CV 1 ASSI { 2443} (( segid " " and resid 1041 and name HA )) ( segid " " and resid 913 and name HD2%) 2.700 2.700 3.300 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.15417E-02 ppm1 4.037 ppm2 0.786 CV 1 ASSI { 2879} (( segid " " and resid 976 and name HA )) (( segid " " and resid 977 and name HG3 )) 4.800 2.800 1.200 peak 2879 spectrum 1 weight 0.10000E+01 volume 0.84638E-03 ppm1 4.787 ppm2 1.873 CV 1 ASSI { 1665} (( segid " " and resid 966 and name HB3 )) (( segid " " and resid 966 and name HG )) 3.100 1.200 1.200 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.20051E-02 ppm1 1.590 ppm2 1.103 CV 1 ASSI { 1606} ( segid " " and resid 963 and name HD1%) (( segid " " and resid 963 and name HG13)) 2.100 0.600 0.600 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.85212E-02 ppm1 0.935 ppm2 2.197 CV 1 ASSI { 3376} (( segid " " and resid 1039 and name HG2 )) (( segid " " and resid 1039 and name HE21)) 3.100 1.200 1.200 peak 3376 spectrum 1 weight 0.10000E+01 volume 0.11755E-02 ppm1 2.428 ppm2 7.617 CV 1 ASSI { 2115} ( segid " " and resid 908 and name HG2%) (( segid " " and resid 908 and name HG13)) 3.300 1.400 1.400 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.21059E-02 ppm1 0.797 ppm2 1.087 CV 1 ASSI { 3099} ( segid " " and resid 1001 and name HG1%) ( segid " " and resid 1004 and name HB% ) 3.400 1.400 1.400 peak 3099 spectrum 1 weight 0.10000E+01 volume 0.17398E-02 ppm1 0.884 ppm2 1.277 CV 1 ASSI { 562} ( segid " " and resid 1000 and name HE% ) (( segid " " and resid 931 and name HB )) 2.000 0.500 0.500 peak 562 spectrum 1 weight 0.10000E+01 volume 0.11184E-01 ppm1 1.974 ppm2 4.233 CV 1 ASSI { 3054} (( segid " " and resid 1008 and name HA )) (( segid " " and resid 1011 and name H )) 3.400 1.400 1.400 peak 3054 spectrum 1 weight 0.10000E+01 volume 0.10412E-02 ppm1 3.630 ppm2 7.302 CV 1 ASSI { 2148} ( segid " " and resid 1001 and name HG2%) (( segid " " and resid 1001 and name HA )) 2.200 0.600 0.600 peak 2148 spectrum 1 weight 0.10000E+01 volume 0.88034E-02 ppm1 1.021 ppm2 3.279 CV 1 ASSI { 1950} ( segid " " and resid 970 and name HG2%) ( segid " " and resid 986 and name HD2%) 2.400 0.700 0.700 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.75035E-02 ppm1 0.916 ppm2 0.670 CV 1 ASSI { 2725} ( segid " " and resid 965 and name HD1%) (( segid " " and resid 962 and name HA )) 2.400 0.700 0.700 peak 2725 spectrum 1 weight 0.10000E+01 volume 0.69421E-02 ppm1 0.938 ppm2 4.368 CV 1 ASSI { 886} (( segid " " and resid 994 and name HA )) (( segid " " and resid 997 and name H )) 3.400 1.400 1.400 peak 886 spectrum 1 weight 0.10000E+01 volume 0.70868E-03 ppm1 3.816 ppm2 7.837 CV 1 ASSI { 905} (( segid " " and resid 994 and name HA )) (( segid " " and resid 994 and name HB2 )) 2.800 1.000 1.000 peak 905 spectrum 1 weight 0.10000E+01 volume 0.35837E-02 ppm1 3.813 ppm2 1.449 CV 1 ASSI { 1861} ( segid " " and resid 966 and name HD1%) (( segid " " and resid 993 and name H )) 4.200 2.200 1.800 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.66169E-03 ppm1 -0.048 ppm2 7.675 CV 1 ASSI { 87} (( segid " " and resid 975 and name HA )) (( segid " " and resid 977 and name HD2 )) 4.000 2.000 2.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.73553E-03 ppm1 4.148 ppm2 3.329 CV 1 ASSI { 3287} ( segid " " and resid 921 and name HB% ) (( segid " " and resid 970 and name H )) 4.400 2.500 1.600 peak 3287 spectrum 1 weight 0.10000E+01 volume 0.76578E-03 ppm1 1.172 ppm2 8.054 CV 1 ASSI { 3046} (( segid " " and resid 922 and name HA )) (( segid " " and resid 922 and name HG2 )) 2.500 0.800 0.800 peak 3046 spectrum 1 weight 0.10000E+01 volume 0.32210E-02 ppm1 3.690 ppm2 1.316 CV 1 ASSI { 854} ( segid " " and resid 963 and name HG2%) ( segid " " and resid 928 and name HB% ) 3.600 1.600 1.600 peak 854 spectrum 1 weight 0.10000E+01 volume 0.13468E-02 ppm1 0.847 ppm2 1.644 CV 1 ASSI { 2418} ( segid " " and resid 931 and name HG2%) (( segid " " and resid 935 and name H )) 3.200 1.300 1.300 peak 2418 spectrum 1 weight 0.10000E+01 volume 0.15954E-02 ppm1 0.960 ppm2 8.794 CV 1 ASSI { 2680} (( segid " " and resid 979 and name HB3 )) (( segid " " and resid 976 and name HB2 )) 3.300 1.400 1.400 peak 2680 spectrum 1 weight 0.10000E+01 volume 0.13065E-02 ppm1 3.853 ppm2 1.958 CV 1 ASSI { 1777} (( segid " " and resid 983 and name HA )) (( segid " " and resid 983 and name HG3 )) 2.700 0.900 0.900 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.26634E-02 ppm1 3.859 ppm2 2.259 CV 1 ASSI { 2549} ( segid " " and resid 994 and name HD2%) (( segid " " and resid 994 and name HG )) 2.200 0.600 0.600 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.59281E-02 ppm1 0.918 ppm2 2.307 CV 1 ASSI { 333} (( segid " " and resid 930 and name HG2 )) (( segid " " and resid 930 and name HB2 )) 2.700 0.900 0.900 peak 333 spectrum 1 weight 0.10000E+01 volume 0.40774E-02 ppm1 2.510 ppm2 2.190 CV 1 ASSI { 371} ( segid " " and resid 1031 and name HD2%) (( segid " " and resid 1034 and name H )) 4.100 2.100 1.900 peak 371 spectrum 1 weight 0.10000E+01 volume 0.92697E-03 ppm1 0.943 ppm2 8.179 CV 1 ASSI { 2196} (( segid " " and resid 989 and name HA )) (( segid " " and resid 992 and name H )) 3.100 1.200 1.200 peak 2196 spectrum 1 weight 0.10000E+01 volume 0.15450E-02 ppm1 4.185 ppm2 8.324 CV 1 ASSI { 839} ( segid " " and resid 925 and name HB% ) (( segid " " and resid 963 and name HG12)) 2.900 1.100 1.100 peak 839 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 1.231 ppm2 0.925 CV 1 ASSI { 1039} (( segid " " and resid 941 and name HA )) (( segid " " and resid 942 and name HD3 )) 2.300 0.600 0.600 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.70396E-02 ppm1 4.511 ppm2 3.560 CV 1 ASSI { 203} (( segid " " and resid 996 and name HD3 )) (( segid " " and resid 996 and name HB3 )) 3.300 1.400 1.400 peak 203 spectrum 1 weight 0.10000E+01 volume 0.10345E-02 ppm1 3.490 ppm2 1.420 CV 1 ASSI { 366} ( segid " " and resid 1036 and name HG2%) (( segid " " and resid 1040 and name HG3 )) 2.900 1.000 1.000 peak 366 spectrum 1 weight 0.10000E+01 volume 0.18640E-02 ppm1 1.196 ppm2 1.504 CV 1 ASSI { 172} (( segid " " and resid 927 and name HB2 )) (( segid " " and resid 927 and name H )) 2.400 0.700 0.700 peak 172 spectrum 1 weight 0.10000E+01 volume 0.47828E-02 ppm1 3.875 ppm2 8.508 CV 1 ASSI { 2753} (( segid " " and resid 1040 and name HG3 )) ( segid " " and resid 913 and name HD2%) 4.100 2.100 1.900 peak 2753 spectrum 1 weight 0.10000E+01 volume 0.84972E-03 ppm1 1.506 ppm2 0.787 CV 1 ASSI { 2518} (( segid " " and resid 1027 and name HA )) (( segid " " and resid 1030 and name H )) 3.200 1.300 1.300 peak 2518 spectrum 1 weight 0.10000E+01 volume 0.11789E-02 ppm1 4.321 ppm2 8.276 CV 1 ASSI { 2110} ( segid " " and resid 1027 and name HD2%) (( segid " " and resid 1027 and name HG )) 2.100 0.600 0.600 peak 2110 spectrum 1 weight 0.10000E+01 volume 0.90652E-02 ppm1 0.821 ppm2 1.358 CV 1 OR { 2110} ( segid " " and resid 1027 and name HD2%) (( segid " " and resid 1027 and name HB3 )) ASSI { 2053} (( segid " " and resid 994 and name HG )) (( segid " " and resid 991 and name HA )) 3.300 1.400 1.400 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.75908E-03 ppm1 2.315 ppm2 3.998 CV 1 ASSI { 2858} (( segid " " and resid 1018 and name HG3 )) (( segid " " and resid 1018 and name H )) 3.300 1.400 1.400 peak 2858 spectrum 1 weight 0.10000E+01 volume 0.20118E-02 ppm1 2.576 ppm2 8.362 CV 1 ASSI { 2650} (( segid " " and resid 962 and name HA )) (( segid " " and resid 965 and name H )) 3.200 1.300 1.300 peak 2650 spectrum 1 weight 0.10000E+01 volume 0.13301E-02 ppm1 4.365 ppm2 6.857 CV 1 ASSI { 396} ( segid " " and resid 932 and name HG2%) (( segid " " and resid 956 and name HB3 )) 2.900 1.100 1.100 peak 396 spectrum 1 weight 0.10000E+01 volume 0.26601E-02 ppm1 0.850 ppm2 2.704 CV 1 ASSI { 2737} (( segid " " and resid 998 and name HA3 )) (( segid " " and resid 1001 and name HB )) 3.800 1.800 1.800 peak 2737 spectrum 1 weight 0.10000E+01 volume 0.15417E-02 ppm1 3.644 ppm2 2.156 CV 1 ASSI { 1562} (( segid " " and resid 1007 and name HA )) (( segid " " and resid 1009 and name HD2 )) 3.500 1.600 1.600 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.83298E-03 ppm1 4.296 ppm2 3.578 CV 1 OR { 1562} (( segid " " and resid 1007 and name HA )) (( segid " " and resid 1009 and name HD3 )) ASSI { 2020} ( segid " " and resid 967 and name HG1%) (( segid " " and resid 971 and name HG3 )) 3.000 1.100 1.100 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.15517E-02 ppm1 0.793 ppm2 1.555 CV 1 ASSI { 1245} ( segid " " and resid 1038 and name HB% ) (( segid " " and resid 1039 and name H )) 2.600 0.900 0.900 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.49709E-02 ppm1 1.396 ppm2 7.846 CV 1 ASSI { 424} ( segid " " and resid 1037 and name HB% ) (( segid " " and resid 1036 and name H )) 3.700 1.700 1.700 peak 424 spectrum 1 weight 0.10000E+01 volume 0.13267E-02 ppm1 1.326 ppm2 7.934 CV 1 ASSI { 2282} (( segid " " and resid 1038 and name HA )) ( segid " " and resid 917 and name HD2%) 2.500 0.800 0.800 peak 2282 spectrum 1 weight 0.10000E+01 volume 0.43428E-02 ppm1 3.986 ppm2 0.862 CV 1 ASSI { 1351} (( segid " " and resid 983 and name HA )) ( segid " " and resid 986 and name HD1%) 3.400 1.500 1.500 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.11017E-02 ppm1 3.857 ppm2 0.858 CV 1 ASSI { 117} ( segid " " and resid 1027 and name HD2%) (( segid " " and resid 1000 and name HB2 )) 4.200 2.300 1.800 peak 117 spectrum 1 weight 0.10000E+01 volume 0.76913E-03 ppm1 0.822 ppm2 1.734 CV 1 ASSI { 945} (( segid " " and resid 1013 and name HA )) (( segid " " and resid 1015 and name H )) 4.400 2.400 1.600 peak 945 spectrum 1 weight 0.10000E+01 volume 0.62809E-03 ppm1 4.621 ppm2 8.423 CV 1 ASSI { 2227} (( segid " " and resid 967 and name HA )) (( segid " " and resid 967 and name HB )) 2.800 1.000 1.000 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.26063E-02 ppm1 3.276 ppm2 1.940 CV 1 ASSI { 2657} ( segid " " and resid 967 and name HG2%) (( segid " " and resid 967 and name H )) 2.000 0.500 0.500 peak 2657 spectrum 1 weight 0.10000E+01 volume 0.13700E-01 ppm1 0.846 ppm2 8.216 CV 1 ASSI { 2600} ( segid " " and resid 959 and name HG1%) ( segid " " and resid 993 and name HE% ) 2.500 0.800 0.800 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.46787E-02 ppm1 0.850 ppm2 6.923 CV 1 ASSI { 2620} ( segid " " and resid 970 and name HG1%) ( segid " " and resid 921 and name HB% ) 3.400 1.500 1.500 peak 2620 spectrum 1 weight 0.10000E+01 volume 0.16391E-02 ppm1 0.726 ppm2 1.170 CV 1 ASSI { 1787} (( segid " " and resid 942 and name HA )) (( segid " " and resid 942 and name HG3 )) 3.500 1.500 1.500 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.22604E-02 ppm1 4.349 ppm2 1.950 CV 1 ASSI { 834} (( segid " " and resid 948 and name HD3 )) (( segid " " and resid 947 and name HA3 )) 3.000 1.100 1.100 peak 834 spectrum 1 weight 0.10000E+01 volume 0.32915E-02 ppm1 3.548 ppm2 4.019 CV 1 ASSI { 2918} (( segid " " and resid 974 and name HG3 )) (( segid " " and resid 974 and name HE21)) 2.800 1.000 1.000 peak 2918 spectrum 1 weight 0.10000E+01 volume 0.21092E-02 ppm1 2.272 ppm2 7.394 CV 1 ASSI { 2724} (( segid " " and resid 1042 and name HA )) (( segid " " and resid 1043 and name H )) 3.000 1.100 1.100 peak 2724 spectrum 1 weight 0.10000E+01 volume 0.18742E-02 ppm1 4.111 ppm2 7.527 CV 1 ASSI { 414} ( segid " " and resid 929 and name HG2%) ( segid " " and resid 933 and name HB% ) 3.100 1.200 1.200 peak 414 spectrum 1 weight 0.10000E+01 volume 0.17936E-02 ppm1 1.228 ppm2 1.430 CV 1 ASSI { 872} ( segid " " and resid 1011 and name HG2%) (( segid " " and resid 1011 and name H )) 3.600 1.600 1.600 peak 872 spectrum 1 weight 0.10000E+01 volume 0.21831E-02 ppm1 0.950 ppm2 7.303 CV 1 ASSI { 2748} ( segid " " and resid 994 and name HD2%) (( segid " " and resid 1035 and name HG3 )) 3.800 1.800 1.800 peak 2748 spectrum 1 weight 0.10000E+01 volume 0.10009E-02 ppm1 0.918 ppm2 1.603 CV 1 ASSI { 2217} (( segid " " and resid 983 and name HA )) (( segid " " and resid 986 and name H )) 3.000 1.100 1.100 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.16122E-02 ppm1 3.860 ppm2 7.562 CV 1 ASSI { 379} ( segid " " and resid 944 and name HB% ) (( segid " " and resid 944 and name HA )) 2.200 0.600 0.600 peak 379 spectrum 1 weight 0.10000E+01 volume 0.13082E-01 ppm1 1.374 ppm2 4.252 CV 1 ASSI { 786} ( segid " " and resid 917 and name HD1%) (( segid " " and resid 917 and name HG )) 2.100 0.600 0.600 peak 786 spectrum 1 weight 0.10000E+01 volume 0.12407E-01 ppm1 0.700 ppm2 1.303 CV 1 ASSI { 2444} ( segid " " and resid 1038 and name HB% ) ( segid " " and resid 917 and name HD1%) 2.600 0.900 0.900 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.44536E-02 ppm1 1.396 ppm2 0.702 CV 1 ASSI { 1935} ( segid " " and resid 934 and name HB% ) ( segid " " and resid 1020 and name HD2%) 2.400 0.700 0.700 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.67879E-02 ppm1 1.518 ppm2 0.814 CV 1 ASSI { 457} (( segid " " and resid 915 and name HA )) (( segid " " and resid 918 and name HG3 )) 3.200 1.300 1.300 peak 457 spectrum 1 weight 0.10000E+01 volume 0.94042E-03 ppm1 3.848 ppm2 2.436 CV 1 ASSI { 38} ( segid " " and resid 986 and name HD1%) (( segid " " and resid 986 and name HA )) 3.700 1.700 1.700 peak 38 spectrum 1 weight 0.10000E+01 volume 0.12864E-02 ppm1 0.858 ppm2 4.036 CV 1 ASSI { 65} (( segid " " and resid 1023 and name HB2 )) (( segid " " and resid 1023 and name HB3 )) 2.200 0.600 0.600 peak 65 spectrum 1 weight 0.10000E+01 volume 0.36173E-02 ppm1 3.322 ppm2 2.794 CV 1 ASSI { 284} ( segid " " and resid 1001 and name HG2%) (( segid " " and resid 1001 and name H )) 2.100 0.600 0.600 peak 284 spectrum 1 weight 0.10000E+01 volume 0.89911E-02 ppm1 1.022 ppm2 7.924 CV 1 ASSI { 250} (( segid " " and resid 964 and name HA )) (( segid " " and resid 967 and name H )) 2.800 1.000 1.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.26634E-02 ppm1 4.241 ppm2 8.208 CV 1 ASSI { 402} (( segid " " and resid 950 and name HB3 )) (( segid " " and resid 950 and name HA )) 2.700 0.900 0.900 peak 402 spectrum 1 weight 0.10000E+01 volume 0.21563E-02 ppm1 1.823 ppm2 4.245 CV 1 ASSI { 507} ( segid " " and resid 987 and name HG2%) (( segid " " and resid 1042 and name HE22)) 3.700 1.700 1.700 peak 507 spectrum 1 weight 0.10000E+01 volume 0.10580E-02 ppm1 0.801 ppm2 6.667 CV 1 ASSI { 1095} ( segid " " and resid 1010 and name HG2%) (( segid " " and resid 1010 and name HB )) 2.100 0.600 0.600 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.15752E-01 ppm1 1.178 ppm2 4.416 CV 1 OR { 1095} ( segid " " and resid 1010 and name HG2%) (( segid " " and resid 1010 and name HA )) ASSI { 1069} ( segid " " and resid 935 and name HB% ) (( segid " " and resid 936 and name HG3 )) 3.300 1.300 1.300 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.96057E-03 ppm1 1.354 ppm2 2.338 CV 1 ASSI { 2586} (( segid " " and resid 948 and name HD2 )) (( segid " " and resid 947 and name HA3 )) 2.800 1.000 1.000 peak 2586 spectrum 1 weight 0.10000E+01 volume 0.30665E-02 ppm1 3.627 ppm2 4.020 CV 1 ASSI { 1997} (( segid " " and resid 948 and name HA )) (( segid " " and resid 949 and name H )) 2.400 0.700 0.700 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.60459E-02 ppm1 4.399 ppm2 8.587 CV 1 ASSI { 1347} (( segid " " and resid 915 and name HG2 )) (( segid " " and resid 915 and name HB3 )) 2.500 0.800 0.800 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.46854E-02 ppm1 2.234 ppm2 1.735 CV 1 OR { 1347} (( segid " " and resid 915 and name HG3 )) (( segid " " and resid 915 and name HB3 )) ASSI { 2371} (( segid " " and resid 980 and name HG3 )) (( segid " " and resid 980 and name HB2 )) 2.400 0.700 0.700 peak 2371 spectrum 1 weight 0.10000E+01 volume 0.10687E-01 ppm1 2.123 ppm2 1.938 CV 1 ASSI { 2646} (( segid " " and resid 995 and name HA )) (( segid " " and resid 995 and name H )) 2.600 0.800 0.800 peak 2646 spectrum 1 weight 0.10000E+01 volume 0.39162E-02 ppm1 4.302 ppm2 8.338 CV 1 ASSI { 2847} ( segid " " and resid 982 and name HB% ) (( segid " " and resid 983 and name HG3 )) 3.600 1.600 1.600 peak 2847 spectrum 1 weight 0.10000E+01 volume 0.85983E-03 ppm1 1.448 ppm2 2.262 CV 1 ASSI { 547} ( segid " " and resid 963 and name HD1%) (( segid " " and resid 929 and name H )) 3.000 1.100 1.100 peak 547 spectrum 1 weight 0.10000E+01 volume 0.16559E-02 ppm1 0.935 ppm2 8.339 CV 1 ASSI { 3467} (( segid " " and resid 1007 and name HB2 )) (( segid " " and resid 1008 and name H )) 3.700 1.800 1.800 peak 3467 spectrum 1 weight 0.10000E+01 volume 0.65828E-03 ppm1 3.652 ppm2 7.527 CV 1 ASSI { 1279} ( segid " " and resid 989 and name HB% ) (( segid " " and resid 989 and name H )) 2.100 0.600 0.600 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.12830E-01 ppm1 1.399 ppm2 8.252 CV 1 ASSI { 2186} ( segid " " and resid 1000 and name HE% ) (( segid " " and resid 1000 and name HG3 )) 3.000 1.100 1.100 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.35233E-02 ppm1 1.975 ppm2 2.175 CV 1 ASSI { 3311} ( segid " " and resid 959 and name HG1%) ( segid " " and resid 993 and name HD% ) 3.400 1.500 1.500 peak 3311 spectrum 1 weight 0.10000E+01 volume 0.13972E-02 ppm1 0.849 ppm2 6.996 CV 1 ASSI { 938} ( segid " " and resid 994 and name HD1%) (( segid " " and resid 994 and name H )) 3.000 1.200 1.200 peak 938 spectrum 1 weight 0.10000E+01 volume 0.40136E-02 ppm1 0.933 ppm2 7.248 CV 1 ASSI { 763} ( segid " " and resid 941 and name HB% ) (( segid " " and resid 942 and name HD2 )) 2.700 0.900 0.900 peak 763 spectrum 1 weight 0.10000E+01 volume 0.46350E-02 ppm1 1.279 ppm2 3.749 CV 1 ASSI { 2580} (( segid " " and resid 962 and name HA )) (( segid " " and resid 964 and name HD2 )) 3.200 1.300 1.300 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.88667E-03 ppm1 4.365 ppm2 3.670 CV 1 ASSI { 1840} (( segid " " and resid 910 and name HB3 )) (( segid " " and resid 910 and name HG2 )) 2.800 1.000 1.000 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.64321E-02 ppm1 1.692 ppm2 1.848 CV 1 ASSI { 3401} ( segid " " and resid 1036 and name HG2%) (( segid " " and resid 1037 and name H )) 3.100 1.200 1.200 peak 3401 spectrum 1 weight 0.10000E+01 volume 0.28280E-02 ppm1 1.197 ppm2 8.540 CV 1 ASSI { 2507} (( segid " " and resid 969 and name HA2 )) (( segid " " and resid 969 and name H )) 2.900 1.000 1.000 peak 2507 spectrum 1 weight 0.10000E+01 volume 0.40338E-02 ppm1 3.805 ppm2 7.984 CV 1 ASSI { 3419} ( segid " " and resid 966 and name HD2%) (( segid " " and resid 990 and name HG )) 2.900 1.000 1.000 peak 3419 spectrum 1 weight 0.10000E+01 volume 0.23847E-02 ppm1 0.490 ppm2 3.585 CV 1 ASSI { 3194} (( segid " " and resid 983 and name HG2 )) (( segid " " and resid 983 and name HE22)) 3.800 1.800 1.800 peak 3194 spectrum 1 weight 0.10000E+01 volume 0.13737E-02 ppm1 2.707 ppm2 6.693 CV 1 ASSI { 3182} (( segid " " and resid 961 and name HA )) (( segid " " and resid 964 and name HD2 )) 2.900 1.100 1.100 peak 3182 spectrum 1 weight 0.10000E+01 volume 0.16424E-02 ppm1 4.066 ppm2 3.681 CV 1 ASSI { 2307} (( segid " " and resid 914 and name HA )) (( segid " " and resid 915 and name H )) 3.600 1.600 1.600 peak 2307 spectrum 1 weight 0.10000E+01 volume 0.66503E-03 ppm1 3.465 ppm2 7.785 CV 1 ASSI { 3049} (( segid " " and resid 923 and name HG2 )) (( segid " " and resid 923 and name H )) 2.300 0.700 0.700 peak 3049 spectrum 1 weight 0.10000E+01 volume 0.28784E-02 ppm1 2.205 ppm2 8.119 CV 1 ASSI { 1564} ( segid " " and resid 913 and name HD2%) (( segid " " and resid 1040 and name HE2 )) 4.100 2.100 1.900 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.63813E-03 ppm1 0.782 ppm2 2.823 CV 1 ASSI { 605} (( segid " " and resid 965 and name HA )) (( segid " " and resid 966 and name H )) 3.200 1.300 1.300 peak 605 spectrum 1 weight 0.10000E+01 volume 0.11487E-02 ppm1 4.035 ppm2 7.928 CV 1 ASSI { 2955} (( segid " " and resid 963 and name HA )) (( segid " " and resid 963 and name HG12)) 2.300 0.700 0.700 peak 2955 spectrum 1 weight 0.10000E+01 volume 0.48164E-02 ppm1 3.692 ppm2 0.925 CV 1 ASSI { 1193} (( segid " " and resid 909 and name HA )) (( segid " " and resid 910 and name HD3 )) 2.100 0.500 0.500 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.11262E-01 ppm1 4.767 ppm2 3.688 CV 1 ASSI { 2732} (( segid " " and resid 1025 and name HG2 )) (( segid " " and resid 1025 and name HA )) 3.100 1.200 1.200 peak 2732 spectrum 1 weight 0.10000E+01 volume 0.20454E-02 ppm1 1.335 ppm2 4.010 CV 1 ASSI { 2843} (( segid " " and resid 1036 and name HA )) (( segid " " and resid 1040 and name HG2 )) 4.300 2.300 1.700 peak 2843 spectrum 1 weight 0.10000E+01 volume 0.58777E-03 ppm1 3.923 ppm2 1.575 CV 1 OR { 2843} (( segid " " and resid 1036 and name HA )) (( segid " " and resid 1040 and name HD3 )) OR { 2843} (( segid " " and resid 1036 and name HA )) (( segid " " and resid 1040 and name HD2 )) ASSI { 2210} ( segid " " and resid 1027 and name HD2%) (( segid " " and resid 1027 and name HB2 )) 2.600 0.800 0.800 peak 2210 spectrum 1 weight 0.10000E+01 volume 0.35401E-02 ppm1 0.820 ppm2 1.890 CV 1 ASSI { 515} (( segid " " and resid 1016 and name HB3 )) ( segid " " and resid 938 and name HB% ) 3.100 1.200 1.200 peak 515 spectrum 1 weight 0.10000E+01 volume 0.13704E-02 ppm1 3.756 ppm2 1.356 CV 1 ASSI { 2902} ( segid " " and resid 960 and name HB% ) ( segid " " and resid 932 and name HD1%) 2.200 0.600 0.600 peak 2902 spectrum 1 weight 0.10000E+01 volume 0.10805E-01 ppm1 1.500 ppm2 0.833 CV 1 OR { 2902} ( segid " " and resid 960 and name HB% ) ( segid " " and resid 932 and name HG2%) ASSI { 895} ( segid " " and resid 1036 and name HG2%) (( segid " " and resid 1039 and name H )) 3.800 1.800 1.800 peak 895 spectrum 1 weight 0.10000E+01 volume 0.82288E-03 ppm1 1.194 ppm2 7.854 CV 1 ASSI { 2975} (( segid " " and resid 930 and name HG3 )) (( segid " " and resid 930 and name H )) 2.800 1.000 1.000 peak 2975 spectrum 1 weight 0.10000E+01 volume 0.28952E-02 ppm1 2.446 ppm2 7.886 CV 1 ASSI { 2790} (( segid " " and resid 993 and name HA )) (( segid " " and resid 996 and name HD3 )) 4.000 2.000 2.000 peak 2790 spectrum 1 weight 0.10000E+01 volume 0.65158E-03 ppm1 4.047 ppm2 3.490 CV 1 ASSI { 1276} (( segid " " and resid 955 and name HA )) (( segid " " and resid 954 and name HB3 )) 3.600 1.600 1.600 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.75908E-03 ppm1 4.198 ppm2 2.068 CV 1 OR { 1276} (( segid " " and resid 955 and name HA )) (( segid " " and resid 954 and name HB2 )) ASSI { 1850} (( segid " " and resid 980 and name HB3 )) (( segid " " and resid 980 and name HG3 )) 2.500 0.800 0.800 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.33050E-02 ppm1 2.378 ppm2 2.120 CV 1 ASSI { 2181} (( segid " " and resid 977 and name HD2 )) (( segid " " and resid 976 and name H )) 3.700 1.700 1.700 peak 2181 spectrum 1 weight 0.10000E+01 volume 0.14476E-02 ppm1 3.329 ppm2 7.052 CV 1 ASSI { 2025} ( segid " " and resid 1008 and name HG2%) (( segid " " and resid 1020 and name HG )) 3.300 1.300 1.300 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.29355E-02 ppm1 1.102 ppm2 1.366 CV 1 ASSI { 1515} (( segid " " and resid 995 and name HB2 )) (( segid " " and resid 996 and name HD3 )) 2.000 0.500 0.500 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.67107E-02 ppm1 2.163 ppm2 3.490 CV 1 OR { 1515} (( segid " " and resid 995 and name HB3 )) (( segid " " and resid 996 and name HD3 )) ASSI { 933} ( segid " " and resid 952 and name HD2%) (( segid " " and resid 1007 and name H )) 4.000 2.000 2.000 peak 933 spectrum 1 weight 0.10000E+01 volume 0.58777E-03 ppm1 0.705 ppm2 7.628 CV 1 ASSI { 3} (( segid " " and resid 1035 and name HD3 )) (( segid " " and resid 1035 and name HB3 )) 3.000 1.100 1.100 peak 3 spectrum 1 weight 0.10000E+01 volume 0.17297E-02 ppm1 3.198 ppm2 2.030 CV 1 OR { 3} (( segid " " and resid 1035 and name HD2 )) (( segid " " and resid 1035 and name HB3 )) ASSI { 1779} ( segid " " and resid 952 and name HD2%) ( segid " " and resid 1003 and name HB% ) 2.200 0.600 0.600 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.11332E-01 ppm1 0.704 ppm2 1.344 CV 1 ASSI { 3392} (( segid " " and resid 1000 and name HG2 )) (( segid " " and resid 1000 and name HB2 )) 3.000 1.200 1.200 peak 3392 spectrum 1 weight 0.10000E+01 volume 0.25560E-02 ppm1 2.321 ppm2 1.739 CV 1 ASSI { 14} ( segid " " and resid 951 and name HD2%) (( segid " " and resid 951 and name HB2 )) 2.700 0.900 0.900 peak 14 spectrum 1 weight 0.10000E+01 volume 0.42219E-02 ppm1 0.841 ppm2 1.666 CV 1 OR { 14} ( segid " " and resid 951 and name HD1%) (( segid " " and resid 951 and name HB2 )) ASSI { 2474} ( segid " " and resid 965 and name HD1%) (( segid " " and resid 962 and name HB2 )) 4.200 2.200 1.800 peak 2474 spectrum 1 weight 0.10000E+01 volume 0.92362E-03 ppm1 0.937 ppm2 2.717 CV 1 ASSI { 1745} ( segid " " and resid 1011 and name HG2%) (( segid " " and resid 1018 and name H )) 4.300 2.300 1.700 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.56426E-03 ppm1 0.947 ppm2 8.366 CV 1 ASSI { 847} (( segid " " and resid 995 and name HB2 )) (( segid " " and resid 996 and name HA )) 3.900 1.900 1.900 peak 847 spectrum 1 weight 0.10000E+01 volume 0.70198E-03 ppm1 2.161 ppm2 4.178 CV 1 OR { 847} (( segid " " and resid 995 and name HB3 )) (( segid " " and resid 996 and name HA )) ASSI { 2610} ( segid " " and resid 938 and name HB% ) (( segid " " and resid 937 and name HB3 )) 3.200 1.200 1.200 peak 2610 spectrum 1 weight 0.10000E+01 volume 0.11688E-02 ppm1 1.360 ppm2 3.172 CV 1 ASSI { 1184} (( segid " " and resid 996 and name HB3 )) (( segid " " and resid 959 and name HA )) 4.000 2.000 2.000 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.97403E-03 ppm1 1.415 ppm2 3.393 CV 1 ASSI { 830} (( segid " " and resid 927 and name HB2 )) ( segid " " and resid 1027 and name HD1%) 3.300 1.400 1.400 peak 830 spectrum 1 weight 0.10000E+01 volume 0.20454E-02 ppm1 3.875 ppm2 0.931 CV 1 ASSI { 692} (( segid " " and resid 916 and name HG3 )) ( segid " " and resid 1037 and name HB% ) 3.200 1.300 1.300 peak 692 spectrum 1 weight 0.10000E+01 volume 0.11084E-02 ppm1 1.529 ppm2 1.324 CV 1 ASSI { 532} (( segid " " and resid 970 and name HA )) (( segid " " and resid 970 and name H )) 2.700 0.900 0.900 peak 532 spectrum 1 weight 0.10000E+01 volume 0.26198E-02 ppm1 3.437 ppm2 8.053 CV 1 ASSI { 3144} (( segid " " and resid 995 and name HB2 )) (( segid " " and resid 996 and name HG3 )) 4.600 2.600 1.400 peak 3144 spectrum 1 weight 0.10000E+01 volume 0.59113E-03 ppm1 2.165 ppm2 1.762 CV 1 OR { 3144} (( segid " " and resid 995 and name HB3 )) (( segid " " and resid 996 and name HG3 )) ASSI { 1736} ( segid " " and resid 1008 and name HG1%) (( segid " " and resid 1009 and name HG3 )) 3.800 1.800 1.800 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.24149E-02 ppm1 0.894 ppm2 1.919 CV 1 OR { 1736} ( segid " " and resid 1008 and name HG1%) (( segid " " and resid 1009 and name HG2 )) ASSI { 3452} (( segid " " and resid 983 and name HB2 )) (( segid " " and resid 983 and name HG2 )) 3.100 1.200 1.200 peak 3452 spectrum 1 weight 0.10000E+01 volume 0.14375E-02 ppm1 2.200 ppm2 2.702 CV 1 ASSI { 1337} (( segid " " and resid 1005 and name HA )) (( segid " " and resid 1008 and name H )) 3.200 1.300 1.300 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.14678E-02 ppm1 3.778 ppm2 7.531 CV 1 ASSI { 2860} ( segid " " and resid 1011 and name HD1%) (( segid " " and resid 1012 and name H )) 4.800 2.900 1.200 peak 2860 spectrum 1 weight 0.10000E+01 volume 0.56762E-03 ppm1 0.611 ppm2 8.546 CV 1 ASSI { 121} (( segid " " and resid 936 and name HA )) (( segid " " and resid 936 and name H )) 2.600 0.900 0.900 peak 121 spectrum 1 weight 0.10000E+01 volume 0.38054E-02 ppm1 3.948 ppm2 8.463 CV 1 ASSI { 974} (( segid " " and resid 951 and name HG )) (( segid " " and resid 951 and name H )) 3.700 1.700 1.700 peak 974 spectrum 1 weight 0.10000E+01 volume 0.11823E-02 ppm1 1.523 ppm2 7.921 CV 1 ASSI { 1376} (( segid " " and resid 961 and name HB3 )) (( segid " " and resid 961 and name HG3 )) 2.300 0.700 0.700 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.78222E-02 ppm1 2.067 ppm2 2.255 CV 1 OR { 1376} (( segid " " and resid 961 and name HB2 )) (( segid " " and resid 961 and name HG3 )) ASSI { 1395} ( segid " " and resid 935 and name HB% ) (( segid " " and resid 934 and name H )) 3.900 1.900 1.900 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.14711E-02 ppm1 1.354 ppm2 7.981 CV 1 ASSI { 1172} (( segid " " and resid 1025 and name HA )) (( segid " " and resid 1025 and name HD2 )) 3.800 1.800 1.800 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.13065E-02 ppm1 4.012 ppm2 1.614 CV 1 OR { 1172} (( segid " " and resid 1025 and name HA )) (( segid " " and resid 1025 and name HD3 )) ASSI { 2456} (( segid " " and resid 927 and name HA )) (( segid " " and resid 930 and name H )) 3.000 1.100 1.100 peak 2456 spectrum 1 weight 0.10000E+01 volume 0.20723E-02 ppm1 4.212 ppm2 7.896 CV 1 ASSI { 749} (( segid " " and resid 1000 and name HB2 )) (( segid " " and resid 1000 and name HB3 )) 2.200 0.600 0.600 peak 749 spectrum 1 weight 0.10000E+01 volume 0.35233E-02 ppm1 1.741 ppm2 2.312 CV 1 OR { 749} (( segid " " and resid 1000 and name HB2 )) (( segid " " and resid 1000 and name HG2 )) ASSI { 2357} ( segid " " and resid 965 and name HD1%) (( segid " " and resid 962 and name H )) 3.900 1.900 1.900 peak 2357 spectrum 1 weight 0.10000E+01 volume 0.98748E-03 ppm1 0.937 ppm2 7.464 CV 1 ASSI { 1120} (( segid " " and resid 942 and name HA )) (( segid " " and resid 943 and name HG2 )) 3.700 1.700 1.700 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.90347E-03 ppm1 4.351 ppm2 1.370 CV 1 OR { 1120} (( segid " " and resid 942 and name HA )) (( segid " " and resid 943 and name HG3 )) ASSI { 1810} ( segid " " and resid 928 and name HB% ) (( segid " " and resid 963 and name HG13)) 3.600 1.600 1.600 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.15349E-02 ppm1 1.648 ppm2 2.195 CV 1 ASSI { 3048} (( segid " " and resid 983 and name HG3 )) (( segid " " and resid 983 and name HE21)) 3.200 1.300 1.300 peak 3048 spectrum 1 weight 0.10000E+01 volume 0.16491E-02 ppm1 2.259 ppm2 7.469 CV 1 ASSI { 855} ( segid " " and resid 920 and name HB% ) (( segid " " and resid 921 and name H )) 2.700 0.900 0.900 peak 855 spectrum 1 weight 0.10000E+01 volume 0.42454E-02 ppm1 1.420 ppm2 9.023 CV 1 ASSI { 1510} ( segid " " and resid 959 and name HG2%) ( segid " " and resid 960 and name HB% ) 4.600 2.600 1.400 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.66169E-03 ppm1 0.748 ppm2 1.507 CV 1 ASSI { 3200} (( segid " " and resid 1040 and name HG2 )) (( segid " " and resid 1040 and name H )) 3.400 1.400 1.400 peak 3200 spectrum 1 weight 0.10000E+01 volume 0.22402E-02 ppm1 1.568 ppm2 8.322 CV 1 ASSI { 1707} ( segid " " and resid 1001 and name HG1%) ( segid " " and resid 1024 and name HB% ) 2.400 0.700 0.700 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.77014E-02 ppm1 0.886 ppm2 1.423 CV 1 ASSI { 560} ( segid " " and resid 913 and name HD2%) (( segid " " and resid 916 and name HD3 )) 3.200 1.300 1.300 peak 560 spectrum 1 weight 0.10000E+01 volume 0.12897E-02 ppm1 0.782 ppm2 3.055 CV 1 ASSI { 2070} ( segid " " and resid 963 and name HD1%) ( segid " " and resid 993 and name HE% ) 2.600 2.600 3.400 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.20992E-02 ppm1 0.934 ppm2 6.923 CV 1 ASSI { 3341} ( segid " " and resid 1000 and name HE% ) (( segid " " and resid 932 and name H )) 3.100 1.200 1.200 peak 3341 spectrum 1 weight 0.10000E+01 volume 0.31706E-02 ppm1 1.974 ppm2 8.380 CV 1 ASSI { 2316} (( segid " " and resid 930 and name HG2 )) (( segid " " and resid 927 and name HA )) 3.800 1.800 1.800 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.83298E-03 ppm1 2.513 ppm2 4.209 CV 1 ASSI { 1053} (( segid " " and resid 918 and name HG2 )) ( segid " " and resid 914 and name HG2%) 3.900 1.900 1.900 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.71879E-03 ppm1 1.938 ppm2 0.797 CV 1 ASSI { 2908} ( segid " " and resid 1011 and name HG2%) (( segid " " and resid 1012 and name HB2 )) 3.800 1.800 1.800 peak 2908 spectrum 1 weight 0.10000E+01 volume 0.10446E-02 ppm1 0.950 ppm2 1.918 CV 1 ASSI { 323} (( segid " " and resid 957 and name HG3 )) (( segid " " and resid 957 and name HB3 )) 2.600 0.800 0.800 peak 323 spectrum 1 weight 0.10000E+01 volume 0.46921E-02 ppm1 1.496 ppm2 1.840 CV 1 OR { 323} (( segid " " and resid 957 and name HG2 )) (( segid " " and resid 957 and name HB2 )) OR { 323} (( segid " " and resid 957 and name HG3 )) (( segid " " and resid 957 and name HB2 )) OR { 323} (( segid " " and resid 957 and name HG2 )) (( segid " " and resid 957 and name HB3 )) ASSI { 2480} (( segid " " and resid 932 and name HB )) ( segid " " and resid 932 and name HG2%) 2.400 0.700 0.700 peak 2480 spectrum 1 weight 0.10000E+01 volume 0.57367E-02 ppm1 1.838 ppm2 0.841 CV 1 OR { 2480} (( segid " " and resid 932 and name HB )) ( segid " " and resid 932 and name HD1%) ASSI { 3501} ( segid " " and resid 917 and name HD1%) (( segid " " and resid 987 and name HG12)) 2.800 0.900 0.900 peak 3501 spectrum 1 weight 0.10000E+01 volume 0.23477E-02 ppm1 0.700 ppm2 1.720 CV 1 ASSI { 2219} (( segid " " and resid 949 and name HG2 )) (( segid " " and resid 949 and name H )) 3.100 1.200 1.200 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.20521E-02 ppm1 2.307 ppm2 8.587 CV 1 OR { 2219} (( segid " " and resid 949 and name HG3 )) (( segid " " and resid 949 and name H )) ASSI { 3260} (( segid " " and resid 983 and name HG2 )) (( segid " " and resid 983 and name HG3 )) 1.900 0.500 0.500 peak 3260 spectrum 1 weight 0.10000E+01 volume 0.90551E-02 ppm1 2.707 ppm2 2.260 CV 1 ASSI { 1008} ( segid " " and resid 1031 and name HD1%) (( segid " " and resid 1031 and name H )) 3.400 1.500 1.500 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.23746E-02 ppm1 0.702 ppm2 9.204 CV 1 ASSI { 1314} ( segid " " and resid 1020 and name HD1%) ( segid " " and resid 1004 and name HB% ) 2.900 1.100 1.100 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.30766E-02 ppm1 0.754 ppm2 1.274 CV 1 ASSI { 388} (( segid " " and resid 976 and name HG3 )) (( segid " " and resid 976 and name H )) 3.300 1.300 1.300 peak 388 spectrum 1 weight 0.10000E+01 volume 0.13334E-02 ppm1 2.217 ppm2 7.052 CV 1 OR { 388} (( segid " " and resid 976 and name HG2 )) (( segid " " and resid 976 and name H )) ASSI { 629} ( segid " " and resid 966 and name HD1%) (( segid " " and resid 921 and name HA )) 2.600 0.900 0.900 peak 629 spectrum 1 weight 0.10000E+01 volume 0.36039E-02 ppm1 -0.046 ppm2 3.814 CV 1 ASSI { 481} (( segid " " and resid 923 and name HG3 )) (( segid " " and resid 923 and name HE22)) 4.000 2.000 2.000 peak 481 spectrum 1 weight 0.10000E+01 volume 0.78928E-03 ppm1 2.131 ppm2 6.849 CV 1 ASSI { 3450} (( segid " " and resid 993 and name HB3 )) ( segid " " and resid 993 and name HD% ) 2.600 0.800 0.800 peak 3450 spectrum 1 weight 0.10000E+01 volume 0.26702E-02 ppm1 2.960 ppm2 6.994 CV 1 ASSI { 12} ( segid " " and resid 912 and name HG2%) (( segid " " and resid 915 and name HB2 )) 3.300 1.300 1.300 peak 12 spectrum 1 weight 0.10000E+01 volume 0.11319E-02 ppm1 1.227 ppm2 2.101 CV 1 ASSI { 1428} (( segid " " and resid 951 and name HG )) (( segid " " and resid 951 and name HB2 )) 2.400 0.700 0.700 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.61667E-02 ppm1 1.522 ppm2 1.668 CV 1 ASSI { 3428} (( segid " " and resid 995 and name HG3 )) (( segid " " and resid 995 and name HA )) 2.800 0.900 0.900 peak 3428 spectrum 1 weight 0.10000E+01 volume 0.25862E-02 ppm1 2.401 ppm2 4.303 CV 1 ASSI { 1262} (( segid " " and resid 955 and name HB2 )) (( segid " " and resid 1000 and name HG2 )) 4.400 2.400 1.600 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.70533E-03 ppm1 3.788 ppm2 2.323 CV 1 OR { 1262} (( segid " " and resid 955 and name HB3 )) (( segid " " and resid 1000 and name HG2 )) OR { 1262} (( segid " " and resid 955 and name HB3 )) (( segid " " and resid 1000 and name HB3 )) ASSI { 446} (( segid " " and resid 1035 and name HD3 )) (( segid " " and resid 1035 and name HA )) 4.300 2.300 1.700 peak 446 spectrum 1 weight 0.10000E+01 volume 0.82957E-03 ppm1 3.197 ppm2 3.808 CV 1 ASSI { 116} ( segid " " and resid 975 and name HB% ) (( segid " " and resid 975 and name HA )) 2.100 0.500 0.500 peak 116 spectrum 1 weight 0.10000E+01 volume 0.18382E-01 ppm1 1.461 ppm2 4.149 CV 1 ASSI { 2454} ( segid " " and resid 967 and name HG1%) (( segid " " and resid 964 and name HA )) 3.500 1.500 1.500 peak 2454 spectrum 1 weight 0.10000E+01 volume 0.20353E-02 ppm1 0.792 ppm2 4.242 CV 1 ASSI { 1806} ( segid " " and resid 1031 and name HD1%) (( segid " " and resid 1001 and name HB )) 4.000 2.000 2.000 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.63143E-03 ppm1 0.702 ppm2 2.152 CV 1 ASSI { 2934} ( segid " " and resid 1008 and name HG2%) (( segid " " and resid 1020 and name HA )) 4.000 2.000 2.000 peak 2934 spectrum 1 weight 0.10000E+01 volume 0.90013E-03 ppm1 1.102 ppm2 3.918 CV 1 ASSI { 2028} (( segid " " and resid 970 and name HA )) (( segid " " and resid 918 and name HG2 )) 3.300 1.300 1.300 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.87663E-03 ppm1 3.436 ppm2 1.932 CV 1 ASSI { 2886} (( segid " " and resid 991 and name HB2 )) ( segid " " and resid 994 and name HD1%) 4.800 2.900 1.200 peak 2886 spectrum 1 weight 0.10000E+01 volume 0.71538E-03 ppm1 2.135 ppm2 0.933 CV 1 ASSI { 2820} ( segid " " and resid 917 and name HD2%) (( segid " " and resid 917 and name HG )) 2.100 0.600 0.600 peak 2820 spectrum 1 weight 0.10000E+01 volume 0.12723E-01 ppm1 0.856 ppm2 1.311 CV 1 ASSI { 924} (( segid " " and resid 1042 and name HA )) ( segid " " and resid 1038 and name HB% ) 4.600 2.600 1.400 peak 924 spectrum 1 weight 0.10000E+01 volume 0.63478E-03 ppm1 4.113 ppm2 1.379 CV 1 ASSI { 3244} ( segid " " and resid 966 and name HD2%) (( segid " " and resid 966 and name HB2 )) 2.900 1.100 1.100 peak 3244 spectrum 1 weight 0.10000E+01 volume 0.52127E-02 ppm1 0.490 ppm2 1.324 CV 1 ASSI { 3155} (( segid " " and resid 950 and name HG2 )) (( segid " " and resid 950 and name HB3 )) 2.900 1.100 1.100 peak 3155 spectrum 1 weight 0.10000E+01 volume 0.40573E-02 ppm1 1.981 ppm2 1.830 CV 1 ASSI { 3443} (( segid " " and resid 957 and name HA )) (( segid " " and resid 960 and name H )) 3.000 1.100 1.100 peak 3443 spectrum 1 weight 0.10000E+01 volume 0.19413E-02 ppm1 3.933 ppm2 8.669 CV 1 ASSI { 675} (( segid " " and resid 910 and name HB3 )) (( segid " " and resid 910 and name HB2 )) 1.700 0.400 0.500 peak 675 spectrum 1 weight 0.10000E+01 volume 0.17992E-01 ppm1 1.691 ppm2 2.105 CV 1 ASSI { 2479} (( segid " " and resid 952 and name HG )) (( segid " " and resid 952 and name H )) 3.800 1.800 1.800 peak 2479 spectrum 1 weight 0.10000E+01 volume 0.60118E-03 ppm1 1.400 ppm2 8.015 CV 1 ASSI { 1247} (( segid " " and resid 917 and name HG )) (( segid " " and resid 917 and name HB2 )) 3.200 1.300 1.300 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.11050E-02 ppm1 1.303 ppm2 2.171 CV 1 ASSI { 2853} ( segid " " and resid 1020 and name HD2%) (( segid " " and resid 1020 and name HG )) 2.100 0.500 0.500 peak 2853 spectrum 1 weight 0.10000E+01 volume 0.13555E-01 ppm1 0.815 ppm2 1.359 CV 1 ASSI { 838} (( segid " " and resid 1033 and name HG3 )) (( segid " " and resid 1033 and name HB3 )) 2.300 0.600 0.600 peak 838 spectrum 1 weight 0.10000E+01 volume 0.90013E-02 ppm1 2.346 ppm2 1.947 CV 1 OR { 838} (( segid " " and resid 1033 and name HG2 )) (( segid " " and resid 1033 and name HB3 )) ASSI { 3219} (( segid " " and resid 930 and name HG2 )) (( segid " " and resid 930 and name HE22)) 4.400 2.400 1.600 peak 3219 spectrum 1 weight 0.10000E+01 volume 0.55754E-03 ppm1 2.511 ppm2 6.771 CV 1 ASSI { 1491} ( segid " " and resid 965 and name HD1%) (( segid " " and resid 962 and name HE22)) 2.800 1.000 1.000 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.21764E-02 ppm1 0.938 ppm2 6.606 CV 1 ASSI { 2311} ( segid " " and resid 914 and name HG1%) (( segid " " and resid 913 and name H )) 4.100 2.100 1.900 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.68184E-03 ppm1 0.904 ppm2 8.213 CV 1 ASSI { 876} (( segid " " and resid 991 and name HA )) (( segid " " and resid 991 and name HG2 )) 2.300 0.700 0.700 peak 876 spectrum 1 weight 0.10000E+01 volume 0.46383E-02 ppm1 3.999 ppm2 2.274 CV 1 ASSI { 2237} (( segid " " and resid 919 and name HA )) (( segid " " and resid 919 and name H )) 2.600 0.800 0.800 peak 2237 spectrum 1 weight 0.10000E+01 volume 0.40237E-02 ppm1 4.124 ppm2 8.057 CV 1 ASSI { 1309} ( segid " " and resid 1000 and name HE% ) (( segid " " and resid 1000 and name HB3 )) 2.200 0.600 0.600 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.63107E-02 ppm1 1.974 ppm2 2.317 CV 1 OR { 1309} ( segid " " and resid 1000 and name HE% ) (( segid " " and resid 1000 and name HG2 )) ASSI { 3369} (( segid " " and resid 910 and name HA )) (( segid " " and resid 910 and name HG2 )) 3.400 1.400 1.400 peak 3369 spectrum 1 weight 0.10000E+01 volume 0.26298E-02 ppm1 4.219 ppm2 1.848 CV 1 ASSI { 2246} ( segid " " and resid 963 and name HD1%) (( segid " " and resid 928 and name HA )) 3.000 3.000 3.000 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.76913E-03 ppm1 0.938 ppm2 4.054 CV 1 ASSI { 3167} (( segid " " and resid 939 and name HA )) (( segid " " and resid 940 and name H )) 2.900 1.000 1.000 peak 3167 spectrum 1 weight 0.10000E+01 volume 0.22167E-02 ppm1 4.175 ppm2 7.626 CV 1 ASSI { 1223} (( segid " " and resid 930 and name HA )) (( segid " " and resid 930 and name H )) 2.600 0.800 0.800 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.42387E-02 ppm1 4.112 ppm2 7.886 CV 1 ASSI { 288} ( segid " " and resid 966 and name HD2%) (( segid " " and resid 921 and name HA )) 3.000 1.100 1.100 peak 288 spectrum 1 weight 0.10000E+01 volume 0.18003E-02 ppm1 0.489 ppm2 3.810 CV 1 ASSI { 2297} (( segid " " and resid 1042 and name HA )) (( segid " " and resid 1042 and name HG2 )) 3.000 1.100 1.100 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.23813E-02 ppm1 4.111 ppm2 2.424 CV 1 ASSI { 3070} (( segid " " and resid 1018 and name HG3 )) (( segid " " and resid 1018 and name HB3 )) 2.500 0.800 0.800 peak 3070 spectrum 1 weight 0.10000E+01 volume 0.54243E-02 ppm1 2.578 ppm2 2.093 CV 1 ASSI { 1760} ( segid " " and resid 1008 and name HG1%) (( segid " " and resid 1021 and name HB3 )) 3.200 1.300 1.300 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.49843E-02 ppm1 0.895 ppm2 4.033 CV 1 ASSI { 1423} (( segid " " and resid 915 and name HG2 )) ( segid " " and resid 912 and name HG2%) 3.100 1.200 1.200 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.66169E-03 ppm1 2.237 ppm2 1.224 CV 1 OR { 1423} (( segid " " and resid 915 and name HG3 )) ( segid " " and resid 912 and name HG2%) ASSI { 1566} (( segid " " and resid 922 and name HA )) ( segid " " and resid 970 and name HG1%) 4.500 2.500 1.500 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.62133E-03 ppm1 3.687 ppm2 0.729 CV 1 ASSI { 3038} (( segid " " and resid 986 and name HB2 )) ( segid " " and resid 986 and name HD2%) 3.800 1.800 1.800 peak 3038 spectrum 1 weight 0.10000E+01 volume 0.12427E-02 ppm1 2.106 ppm2 0.676 CV 1 ASSI { 1361} ( segid " " and resid 987 and name HG2%) ( segid " " and resid 1041 and name HB% ) 3.300 1.400 1.400 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.21932E-02 ppm1 0.801 ppm2 1.304 CV 1 ASSI { 721} ( segid " " and resid 1008 and name HG2%) (( segid " " and resid 1021 and name H )) 2.700 0.900 0.900 peak 721 spectrum 1 weight 0.10000E+01 volume 0.36274E-02 ppm1 1.103 ppm2 8.396 CV 1 ASSI { 2412} (( segid " " and resid 942 and name HA )) (( segid " " and resid 943 and name H )) 2.400 0.700 0.700 peak 2412 spectrum 1 weight 0.10000E+01 volume 0.64154E-02 ppm1 4.350 ppm2 8.338 CV 1 ASSI { 493} ( segid " " and resid 924 and name HB% ) ( segid " " and resid 966 and name HD1%) 2.500 0.800 0.800 peak 493 spectrum 1 weight 0.10000E+01 volume 0.43428E-02 ppm1 1.273 ppm2 -0.048 CV 1 ASSI { 2143} (( segid " " and resid 1018 and name HG2 )) ( segid " " and resid 1017 and name HB% ) 3.800 1.800 1.800 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.49373E-03 ppm1 2.702 ppm2 1.496 CV 1 ASSI { 716} (( segid " " and resid 1043 and name HG2 )) (( segid " " and resid 1040 and name HA )) 3.400 1.400 1.400 peak 716 spectrum 1 weight 0.10000E+01 volume 0.69864E-03 ppm1 2.222 ppm2 3.963 CV 1 ASSI { 1159} ( segid " " and resid 952 and name HD1%) ( segid " " and resid 1011 and name HD1%) 3.800 1.800 1.800 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.68184E-03 ppm1 0.838 ppm2 0.620 CV 1 ASSI { 2408} (( segid " " and resid 1012 and name HB3 )) (( segid " " and resid 1012 and name H )) 3.300 1.300 1.300 peak 2408 spectrum 1 weight 0.10000E+01 volume 0.16357E-02 ppm1 2.086 ppm2 8.545 CV 1 ASSI { 2895} ( segid " " and resid 975 and name HB% ) (( segid " " and resid 974 and name HB2 )) 3.000 3.000 3.000 peak 2895 spectrum 1 weight 0.10000E+01 volume 0.84638E-03 ppm1 1.460 ppm2 1.828 CV 1 ASSI { 798} ( segid " " and resid 959 and name HG2%) (( segid " " and resid 1001 and name H )) 4.200 2.200 1.800 peak 798 spectrum 1 weight 0.10000E+01 volume 0.68853E-03 ppm1 0.750 ppm2 7.922 CV 1 ASSI { 2599} ( segid " " and resid 1027 and name HD2%) (( segid " " and resid 1000 and name HB3 )) 2.900 1.100 1.100 peak 2599 spectrum 1 weight 0.10000E+01 volume 0.15887E-02 ppm1 0.821 ppm2 2.316 CV 1 OR { 2599} ( segid " " and resid 1027 and name HD2%) (( segid " " and resid 1000 and name HG2 )) ASSI { 2673} (( segid " " and resid 990 and name HA )) (( segid " " and resid 990 and name HB2 )) 3.000 1.100 1.100 peak 2673 spectrum 1 weight 0.10000E+01 volume 0.23544E-02 ppm1 3.968 ppm2 4.130 CV 1 ASSI { 2263} (( segid " " and resid 1030 and name HA )) (( segid " " and resid 1031 and name H )) 3.300 1.400 1.400 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.11420E-02 ppm1 4.147 ppm2 9.206 CV 1 ASSI { 1032} (( segid " " and resid 1036 and name HA )) (( segid " " and resid 1035 and name HA )) 3.600 1.600 1.600 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.75233E-03 ppm1 3.921 ppm2 3.818 CV 1 ASSI { 263} (( segid " " and resid 977 and name HB2 )) (( segid " " and resid 977 and name HG2 )) 2.600 0.800 0.800 peak 263 spectrum 1 weight 0.10000E+01 volume 0.28112E-02 ppm1 2.271 ppm2 1.902 CV 1 ASSI { 1759} (( segid " " and resid 977 and name HG3 )) (( segid " " and resid 977 and name HD3 )) 2.700 0.900 0.900 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.20689E-02 ppm1 1.858 ppm2 3.535 CV 1 ASSI { 3379} (( segid " " and resid 1039 and name HG3 )) (( segid " " and resid 1039 and name HE21)) 3.300 1.400 1.400 peak 3379 spectrum 1 weight 0.10000E+01 volume 0.87328E-03 ppm1 2.263 ppm2 7.618 CV 1 ASSI { 341} (( segid " " and resid 1005 and name HE2 )) ( segid " " and resid 1024 and name HB% ) 3.300 1.300 1.300 peak 341 spectrum 1 weight 0.10000E+01 volume 0.95722E-03 ppm1 2.758 ppm2 1.428 CV 1 ASSI { 3435} ( segid " " and resid 1008 and name HG2%) (( segid " " and resid 1020 and name H )) 3.800 1.800 1.800 peak 3435 spectrum 1 weight 0.10000E+01 volume 0.11520E-02 ppm1 1.104 ppm2 7.953 CV 1 ASSI { 2072} (( segid " " and resid 1039 and name HG3 )) (( segid " " and resid 1039 and name HA )) 2.700 0.900 0.900 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.28918E-02 ppm1 2.260 ppm2 3.941 CV 1 ASSI { 2653} ( segid " " and resid 987 and name HG2%) (( segid " " and resid 1042 and name HB2 )) 2.400 0.700 0.700 peak 2653 spectrum 1 weight 0.10000E+01 volume 0.36543E-02 ppm1 0.801 ppm2 2.115 CV 1 ASSI { 37} (( segid " " and resid 917 and name HB3 )) (( segid " " and resid 917 and name HG )) 2.800 1.000 1.000 peak 37 spectrum 1 weight 0.10000E+01 volume 0.25022E-02 ppm1 1.116 ppm2 1.307 CV 1 ASSI { 3490} (( segid " " and resid 1043 and name HG3 )) (( segid " " and resid 1043 and name HG2 )) 1.700 0.400 0.500 peak 3490 spectrum 1 weight 0.10000E+01 volume 0.17734E-01 ppm1 2.429 ppm2 2.236 CV 1 ASSI { 767} (( segid " " and resid 957 and name HA )) (( segid " " and resid 961 and name H )) 3.600 1.600 1.600 peak 767 spectrum 1 weight 0.10000E+01 volume 0.80273E-03 ppm1 3.935 ppm2 7.461 CV 1 ASSI { 2642} (( segid " " and resid 981 and name HB2 )) (( segid " " and resid 982 and name H )) 3.400 1.400 1.400 peak 2642 spectrum 1 weight 0.10000E+01 volume 0.13166E-02 ppm1 3.775 ppm2 8.060 CV 1 OR { 2642} (( segid " " and resid 981 and name HB3 )) (( segid " " and resid 982 and name H )) ASSI { 432} (( segid " " and resid 916 and name HA )) (( segid " " and resid 916 and name HG3 )) 3.100 1.200 1.200 peak 432 spectrum 1 weight 0.10000E+01 volume 0.21260E-02 ppm1 3.890 ppm2 1.548 CV 1 ASSI { 1203} ( segid " " and resid 994 and name HD2%) (( segid " " and resid 993 and name HB3 )) 3.600 1.600 1.600 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.66169E-03 ppm1 0.919 ppm2 2.962 CV 1 ASSI { 1479} (( segid " " and resid 963 and name HA )) ( segid " " and resid 963 and name HG2%) 2.400 0.700 0.700 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.55754E-02 ppm1 3.692 ppm2 0.846 CV 1 ASSI { 1996} (( segid " " and resid 1043 and name HG3 )) ( segid " " and resid 1044 and name HB% ) 3.700 1.700 1.700 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.56426E-03 ppm1 2.434 ppm2 1.317 CV 1 ASSI { 2374} (( segid " " and resid 1032 and name HA )) (( segid " " and resid 1032 and name H )) 2.600 0.800 0.800 peak 2374 spectrum 1 weight 0.10000E+01 volume 0.43293E-02 ppm1 4.135 ppm2 7.713 CV 1 ASSI { 1171} ( segid " " and resid 966 and name HD1%) (( segid " " and resid 993 and name HB3 )) 3.200 1.300 1.300 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.13435E-02 ppm1 -0.045 ppm2 2.961 CV 1 ASSI { 2334} (( segid " " and resid 984 and name HB3 )) (( segid " " and resid 985 and name H )) 3.200 1.300 1.300 peak 2334 spectrum 1 weight 0.10000E+01 volume 0.18775E-02 ppm1 1.562 ppm2 7.884 CV 1 ASSI { 1385} (( segid " " and resid 995 and name HG3 )) (( segid " " and resid 996 and name HA )) 3.000 1.200 1.200 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.23074E-02 ppm1 2.404 ppm2 4.159 CV 1 ASSI { 949} (( segid " " and resid 951 and name HB3 )) (( segid " " and resid 951 and name HB2 )) 1.900 0.400 0.400 peak 949 spectrum 1 weight 0.10000E+01 volume 0.98712E-02 ppm1 1.532 ppm2 1.665 CV 1 ASSI { 161} ( segid " " and resid 953 and name HG2%) (( segid " " and resid 952 and name HB3 )) 3.400 1.400 1.400 peak 161 spectrum 1 weight 0.10000E+01 volume 0.12494E-02 ppm1 0.961 ppm2 1.399 CV 1 ASSI { 2457} (( segid " " and resid 1029 and name HA )) (( segid " " and resid 1029 and name H )) 2.500 0.800 0.800 peak 2457 spectrum 1 weight 0.10000E+01 volume 0.44503E-02 ppm1 4.025 ppm2 8.078 CV 1 ASSI { 3121} (( segid " " and resid 950 and name HB3 )) (( segid " " and resid 951 and name H )) 3.700 1.700 1.700 peak 3121 spectrum 1 weight 0.10000E+01 volume 0.97403E-03 ppm1 1.818 ppm2 7.923 CV 1 ASSI { 1791} (( segid " " and resid 1021 and name HA )) (( segid " " and resid 1021 and name H )) 2.500 0.800 0.800 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.51321E-02 ppm1 3.852 ppm2 8.394 CV 1 ASSI { 994} ( segid " " and resid 1001 and name HG2%) ( segid " " and resid 1004 and name HB% ) 3.700 1.700 1.700 peak 994 spectrum 1 weight 0.10000E+01 volume 0.11923E-02 ppm1 1.022 ppm2 1.279 CV 1 ASSI { 218} ( segid " " and resid 1017 and name HB% ) (( segid " " and resid 1017 and name HA )) 2.100 0.600 0.600 peak 218 spectrum 1 weight 0.10000E+01 volume 0.11420E-01 ppm1 1.495 ppm2 3.846 CV 1 ASSI { 3136} (( segid " " and resid 948 and name HA )) (( segid " " and resid 948 and name HG2 )) 3.300 1.400 1.400 peak 3136 spectrum 1 weight 0.10000E+01 volume 0.25022E-02 ppm1 4.399 ppm2 1.920 CV 1 OR { 3136} (( segid " " and resid 948 and name HA )) (( segid " " and resid 948 and name HG3 )) ASSI { 603} ( segid " " and resid 959 and name HG1%) (( segid " " and resid 959 and name HA )) 2.400 0.700 0.700 peak 603 spectrum 1 weight 0.10000E+01 volume 0.60220E-02 ppm1 0.850 ppm2 3.390 CV 1 ASSI { 240} (( segid " " and resid 990 and name HB2 )) (( segid " " and resid 990 and name HB3 )) 2.300 0.600 0.600 peak 240 spectrum 1 weight 0.10000E+01 volume 0.26500E-02 ppm1 4.131 ppm2 3.396 CV 1 ASSI { 2940} ( segid " " and resid 1017 and name HB% ) (( segid " " and resid 1017 and name H )) 2.200 0.600 0.600 peak 2940 spectrum 1 weight 0.10000E+01 volume 0.97403E-02 ppm1 1.494 ppm2 8.473 CV 1 ASSI { 3277} (( segid " " and resid 953 and name HA )) (( segid " " and resid 953 and name H )) 2.800 1.000 1.000 peak 3277 spectrum 1 weight 0.10000E+01 volume 0.23040E-02 ppm1 3.549 ppm2 7.924 CV 1 ASSI { 3028} ( segid " " and resid 966 and name HD1%) ( segid " " and resid 966 and name HD2%) 2.000 0.500 0.500 peak 3028 spectrum 1 weight 0.10000E+01 volume 0.18486E-01 ppm1 -0.046 ppm2 0.489 CV 1 ASSI { 3510} ( segid " " and resid 1011 and name HD1%) ( segid " " and resid 1020 and name HD1%) 2.400 0.700 0.700 peak 3510 spectrum 1 weight 0.10000E+01 volume 0.60554E-02 ppm1 0.611 ppm2 0.757 CV 1 ASSI { 1449} (( segid " " and resid 942 and name HG2 )) (( segid " " and resid 942 and name HB3 )) 3.000 1.100 1.100 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.42420E-02 ppm1 1.994 ppm2 1.849 CV 1 ASSI { 243} ( segid " " and resid 984 and name HD1%) (( segid " " and resid 987 and name HB )) 3.200 1.300 1.300 peak 243 spectrum 1 weight 0.10000E+01 volume 0.17633E-02 ppm1 0.841 ppm2 1.869 CV 1 ASSI { 3306} (( segid " " and resid 980 and name HG3 )) (( segid " " and resid 980 and name HD2 )) 2.800 1.000 1.000 peak 3306 spectrum 1 weight 0.10000E+01 volume 0.39800E-02 ppm1 2.122 ppm2 4.245 CV 1 ASSI { 1266} ( segid " " and resid 958 and name HB% ) (( segid " " and resid 959 and name HA )) 3.600 1.600 1.600 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.11218E-02 ppm1 1.445 ppm2 3.392 CV 1 ASSI { 2470} (( segid " " and resid 1007 and name HB3 )) (( segid " " and resid 1008 and name H )) 3.600 1.600 1.600 peak 2470 spectrum 1 weight 0.10000E+01 volume 0.82623E-03 ppm1 3.897 ppm2 7.530 CV 1 ASSI { 3329} ( segid " " and resid 951 and name HD2%) (( segid " " and resid 951 and name HG )) 2.200 0.600 0.600 peak 3329 spectrum 1 weight 0.10000E+01 volume 0.13723E-01 ppm1 0.800 ppm2 1.526 CV 1 OR { 3329} ( segid " " and resid 951 and name HD2%) (( segid " " and resid 951 and name HB3 )) ASSI { 712} ( segid " " and resid 963 and name HG2%) ( segid " " and resid 993 and name HE% ) 3.900 1.900 1.900 peak 712 spectrum 1 weight 0.10000E+01 volume 0.11722E-02 ppm1 0.847 ppm2 6.926 CV 1 ASSI { 2851} ( segid " " and resid 929 and name HG2%) (( segid " " and resid 933 and name H )) 3.600 1.600 1.600 peak 2851 spectrum 1 weight 0.10000E+01 volume 0.84638E-03 ppm1 1.226 ppm2 7.552 CV 1 ASSI { 1341} ( segid " " and resid 1001 and name HG1%) (( segid " " and resid 1005 and name HB2 )) 3.400 1.500 1.500 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.23007E-02 ppm1 0.888 ppm2 1.796 CV 1 OR { 1341} ( segid " " and resid 1001 and name HG1%) (( segid " " and resid 1005 and name HB3 )) ASSI { 3414} (( segid " " and resid 991 and name HG3 )) (( segid " " and resid 991 and name HA )) 3.000 1.100 1.100 peak 3414 spectrum 1 weight 0.10000E+01 volume 0.21999E-02 ppm1 2.514 ppm2 3.994 CV 1 ASSI { 2652} ( segid " " and resid 1036 and name HG2%) (( segid " " and resid 1038 and name H )) 4.200 2.200 1.800 peak 2652 spectrum 1 weight 0.10000E+01 volume 0.54747E-03 ppm1 1.193 ppm2 8.721 CV 1 ASSI { 2834} (( segid " " and resid 971 and name HA )) ( segid " " and resid 970 and name HG1%) 3.100 1.200 1.200 peak 2834 spectrum 1 weight 0.10000E+01 volume 0.13670E-02 ppm1 3.948 ppm2 0.727 CV 1 ASSI { 2141} (( segid " " and resid 908 and name HB )) (( segid " " and resid 908 and name HG12)) 3.100 1.200 1.200 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.17264E-02 ppm1 1.719 ppm2 1.355 CV 1 ASSI { 680} ( segid " " and resid 986 and name HD1%) (( segid " " and resid 986 and name HB2 )) 2.700 0.900 0.900 peak 680 spectrum 1 weight 0.10000E+01 volume 0.26970E-02 ppm1 0.858 ppm2 2.102 CV 1 ASSI { 3254} (( segid " " and resid 942 and name HA )) (( segid " " and resid 942 and name HB2 )) 2.500 0.800 0.800 peak 3254 spectrum 1 weight 0.10000E+01 volume 0.83466E-02 ppm1 4.350 ppm2 2.239 CV 1 ASSI { 202} ( segid " " and resid 913 and name HD2%) (( segid " " and resid 913 and name HB3 )) 2.500 0.800 0.800 peak 202 spectrum 1 weight 0.10000E+01 volume 0.43696E-02 ppm1 0.784 ppm2 1.254 CV 1 ASSI { 2162} (( segid " " and resid 910 and name HG3 )) (( segid " " and resid 910 and name HB2 )) 2.800 1.000 1.000 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.42051E-02 ppm1 1.719 ppm2 2.094 CV 1 ASSI { 1514} (( segid " " and resid 917 and name HB2 )) ( segid " " and resid 917 and name HD2%) 3.400 1.400 1.400 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.14174E-02 ppm1 2.168 ppm2 0.854 CV 1 ASSI { 139} ( segid " " and resid 1004 and name HB% ) (( segid " " and resid 1004 and name H )) 2.200 0.600 0.600 peak 139 spectrum 1 weight 0.10000E+01 volume 0.92129E-02 ppm1 1.278 ppm2 8.810 CV 1 ASSI { 988} ( segid " " and resid 951 and name HD2%) (( segid " " and resid 952 and name H )) 3.000 1.100 1.100 peak 988 spectrum 1 weight 0.10000E+01 volume 0.84972E-03 ppm1 0.802 ppm2 8.005 CV 1 ASSI { 2074} ( segid " " and resid 987 and name HG2%) (( segid " " and resid 991 and name HG2 )) 3.400 1.500 1.500 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.17566E-02 ppm1 0.800 ppm2 2.267 CV 1 ASSI { 3261} (( segid " " and resid 963 and name HA )) ( segid " " and resid 993 and name HD% ) 3.700 1.700 1.700 peak 3261 spectrum 1 weight 0.10000E+01 volume 0.65493E-03 ppm1 3.689 ppm2 6.993 CV 1 ASSI { 2557} ( segid " " and resid 1001 and name HG2%) (( segid " " and resid 1027 and name HA )) 4.200 2.200 1.800 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.73893E-03 ppm1 1.022 ppm2 4.320 CV 1 ASSI { 3445} (( segid " " and resid 1007 and name HB3 )) (( segid " " and resid 1007 and name HB2 )) 2.000 0.500 0.500 peak 3445 spectrum 1 weight 0.10000E+01 volume 0.65864E-02 ppm1 3.897 ppm2 3.656 CV 1 ASSI { 2668} ( segid " " and resid 1020 and name HD2%) (( segid " " and resid 935 and name H )) 3.000 1.100 1.100 peak 2668 spectrum 1 weight 0.10000E+01 volume 0.24250E-02 ppm1 0.815 ppm2 8.790 CV 1 ASSI { 344} (( segid " " and resid 1042 and name HB3 )) ( segid " " and resid 987 and name HG2%) 4.300 2.300 1.700 peak 344 spectrum 1 weight 0.10000E+01 volume 0.11184E-02 ppm1 2.199 ppm2 0.799 CV 1 ASSI { 2569} (( segid " " and resid 971 and name HG3 )) (( segid " " and resid 971 and name HA )) 2.800 1.000 1.000 peak 2569 spectrum 1 weight 0.10000E+01 volume 0.36442E-02 ppm1 1.547 ppm2 3.949 CV 1 ASSI { 2223} (( segid " " and resid 969 and name HA2 )) ( segid " " and resid 989 and name HB% ) 4.100 2.100 1.900 peak 2223 spectrum 1 weight 0.10000E+01 volume 0.79603E-03 ppm1 3.807 ppm2 1.393 CV 1 ASSI { 775} ( segid " " and resid 966 and name HD2%) (( segid " " and resid 989 and name HA )) 3.800 1.800 1.800 peak 775 spectrum 1 weight 0.10000E+01 volume 0.92362E-03 ppm1 0.488 ppm2 4.183 CV 1 ASSI { 3053} (( segid " " and resid 993 and name HA )) (( segid " " and resid 993 and name HB2 )) 2.500 0.800 0.800 peak 3053 spectrum 1 weight 0.10000E+01 volume 0.33117E-02 ppm1 4.049 ppm2 3.382 CV 1 ASSI { 662} (( segid " " and resid 995 and name HB2 )) (( segid " " and resid 996 and name HG2 )) 4.600 2.600 1.400 peak 662 spectrum 1 weight 0.10000E+01 volume 0.12360E-02 ppm1 2.165 ppm2 1.921 CV 1 OR { 662} (( segid " " and resid 995 and name HB3 )) (( segid " " and resid 996 and name HG2 )) ASSI { 18} (( segid " " and resid 1035 and name HG3 )) (( segid " " and resid 1035 and name HB2 )) 2.700 0.900 0.900 peak 18 spectrum 1 weight 0.10000E+01 volume 0.16323E-02 ppm1 1.605 ppm2 1.964 CV 1 ASSI { 310} ( segid " " and resid 952 and name HD1%) (( segid " " and resid 1000 and name HG2 )) 3.600 3.600 2.400 peak 310 spectrum 1 weight 0.10000E+01 volume 0.10546E-02 ppm1 0.830 ppm2 2.309 CV 1 ASSI { 180} ( segid " " and resid 1008 and name HG1%) (( segid " " and resid 1018 and name HA )) 3.500 1.600 1.600 peak 180 spectrum 1 weight 0.10000E+01 volume 0.96057E-03 ppm1 0.893 ppm2 4.197 CV 1 ASSI { 3399} ( segid " " and resid 1030 and name HB% ) (( segid " " and resid 1027 and name HA )) 2.300 0.600 0.600 peak 3399 spectrum 1 weight 0.10000E+01 volume 0.65631E-02 ppm1 1.507 ppm2 4.326 CV 1 ASSI { 1012} ( segid " " and resid 970 and name HG2%) (( segid " " and resid 918 and name HA )) 2.500 0.800 0.800 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.46652E-02 ppm1 0.917 ppm2 3.648 CV 1 ASSI { 1317} ( segid " " and resid 1030 and name HB% ) (( segid " " and resid 924 and name HA )) 2.200 0.600 0.600 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.79968E-02 ppm1 1.508 ppm2 3.851 CV 1 ASSI { 1137} ( segid " " and resid 928 and name HB% ) (( segid " " and resid 928 and name H )) 2.200 0.600 0.600 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.95286E-02 ppm1 1.648 ppm2 8.953 CV 1 ASSI { 1949} (( segid " " and resid 997 and name HA3 )) ( segid " " and resid 959 and name HG2%) 4.100 2.100 1.900 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.14745E-02 ppm1 3.203 ppm2 0.747 CV 1 ASSI { 957} (( segid " " and resid 961 and name HG2 )) (( segid " " and resid 961 and name HG3 )) 1.800 0.400 0.400 peak 957 spectrum 1 weight 0.10000E+01 volume 0.17391E-01 ppm1 2.440 ppm2 2.249 CV 1 ASSI { 1879} ( segid " " and resid 912 and name HG2%) (( segid " " and resid 915 and name HE22)) 3.900 1.900 1.900 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.78928E-03 ppm1 1.227 ppm2 6.767 CV 1 ASSI { 2706} (( segid " " and resid 977 and name HG3 )) (( segid " " and resid 977 and name HA )) 4.300 2.300 1.700 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.79603E-03 ppm1 1.860 ppm2 4.489 CV 1 ASSI { 21} (( segid " " and resid 963 and name HG13)) (( segid " " and resid 993 and name HZ )) 4.300 2.300 1.700 peak 21 spectrum 1 weight 0.10000E+01 volume 0.53067E-03 ppm1 2.202 ppm2 6.771 CV 1 ASSI { 188} (( segid " " and resid 978 and name HA )) (( segid " " and resid 978 and name H )) 2.600 0.800 0.800 peak 188 spectrum 1 weight 0.10000E+01 volume 0.49037E-02 ppm1 4.600 ppm2 8.370 CV 1 ASSI { 120} (( segid " " and resid 1027 and name HA )) (( segid " " and resid 1027 and name HB3 )) 2.800 1.000 1.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.30060E-02 ppm1 4.324 ppm2 1.355 CV 1 OR { 120} (( segid " " and resid 1027 and name HA )) (( segid " " and resid 1027 and name HG )) ASSI { 889} (( segid " " and resid 994 and name HA )) (( segid " " and resid 994 and name HB3 )) 2.600 0.900 0.900 peak 889 spectrum 1 weight 0.10000E+01 volume 0.24048E-02 ppm1 3.814 ppm2 1.923 CV 1 ASSI { 2576} (( segid " " and resid 964 and name HB3 )) (( segid " " and resid 964 and name HB2 )) 1.800 0.400 0.400 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.12961E-01 ppm1 2.274 ppm2 1.731 CV 1 ASSI { 943} (( segid " " and resid 1031 and name HB2 )) ( segid " " and resid 1031 and name HD1%) 2.700 0.900 0.900 peak 943 spectrum 1 weight 0.10000E+01 volume 0.21898E-02 ppm1 2.020 ppm2 0.701 CV 1 ASSI { 1611} ( segid " " and resid 970 and name HG2%) (( segid " " and resid 969 and name H )) 4.000 2.000 2.000 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.79603E-03 ppm1 0.918 ppm2 7.982 CV 1 ASSI { 2937} (( segid " " and resid 973 and name HB2 )) (( segid " " and resid 973 and name HA )) 2.600 0.800 0.800 peak 2937 spectrum 1 weight 0.10000E+01 volume 0.35266E-02 ppm1 3.565 ppm2 3.996 CV 1 ASSI { 1979} (( segid " " and resid 1009 and name HA )) (( segid " " and resid 1010 and name H )) 3.200 1.300 1.300 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.11554E-02 ppm1 4.448 ppm2 7.724 CV 1 ASSI { 2421} ( segid " " and resid 987 and name HG2%) (( segid " " and resid 1042 and name H )) 3.900 1.900 1.900 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.96057E-03 ppm1 0.800 ppm2 7.733 CV 1 ASSI { 3286} (( segid " " and resid 1011 and name HA )) (( segid " " and resid 1012 and name H )) 2.500 0.800 0.800 peak 3286 spectrum 1 weight 0.10000E+01 volume 0.48500E-02 ppm1 3.963 ppm2 8.543 CV 1 ASSI { 3354} (( segid " " and resid 990 and name HA )) (( segid " " and resid 990 and name H )) 2.800 1.000 1.000 peak 3354 spectrum 1 weight 0.10000E+01 volume 0.21596E-02 ppm1 3.968 ppm2 8.115 CV 1 ASSI { 3410} (( segid " " and resid 966 and name HA )) (( segid " " and resid 966 and name HB3 )) 2.700 0.900 0.900 peak 3410 spectrum 1 weight 0.10000E+01 volume 0.24518E-02 ppm1 3.888 ppm2 1.588 CV 1 ASSI { 2552} (( segid " " and resid 1028 and name HA3 )) (( segid " " and resid 1028 and name H )) 2.400 0.700 0.700 peak 2552 spectrum 1 weight 0.10000E+01 volume 0.43696E-02 ppm1 4.085 ppm2 8.587 CV 1 ASSI { 1795} (( segid " " and resid 962 and name HG2 )) (( segid " " and resid 962 and name HB3 )) 3.100 1.200 1.200 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.25291E-02 ppm1 2.483 ppm2 2.082 CV 1 ASSI { 842} (( segid " " and resid 921 and name HA )) ( segid " " and resid 920 and name HB% ) 3.700 1.700 1.700 peak 842 spectrum 1 weight 0.10000E+01 volume 0.80943E-03 ppm1 3.819 ppm2 1.417 CV 1 ASSI { 1042} ( segid " " and resid 1036 and name HG2%) (( segid " " and resid 1039 and name HB2 )) 4.100 2.100 1.900 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.92697E-03 ppm1 1.197 ppm2 2.126 CV 1 ASSI { 1647} ( segid " " and resid 1038 and name HB% ) (( segid " " and resid 991 and name HG3 )) 2.800 0.900 0.900 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.24115E-02 ppm1 1.395 ppm2 2.509 CV 1 ASSI { 1440} (( segid " " and resid 983 and name HB3 )) (( segid " " and resid 983 and name HB2 )) 2.000 0.500 0.500 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.67777E-02 ppm1 1.952 ppm2 2.203 CV 1 ASSI { 2756} (( segid " " and resid 962 and name HB2 )) ( segid " " and resid 993 and name HE% ) 3.400 1.500 1.500 peak 2756 spectrum 1 weight 0.10000E+01 volume 0.70533E-03 ppm1 2.726 ppm2 6.919 CV 1 ASSI { 3302} (( segid " " and resid 951 and name HA )) (( segid " " and resid 951 and name HB2 )) 2.800 1.000 1.000 peak 3302 spectrum 1 weight 0.10000E+01 volume 0.30967E-02 ppm1 4.084 ppm2 1.666 CV 1 ASSI { 972} (( segid " " and resid 954 and name HB2 )) (( segid " " and resid 956 and name H )) 3.700 1.700 1.700 peak 972 spectrum 1 weight 0.10000E+01 volume 0.13133E-02 ppm1 2.075 ppm2 8.032 CV 1 OR { 972} (( segid " " and resid 954 and name HB3 )) (( segid " " and resid 956 and name H )) ASSI { 3245} (( segid " " and resid 930 and name HG2 )) (( segid " " and resid 930 and name HE21)) 3.300 1.300 1.300 peak 3245 spectrum 1 weight 0.10000E+01 volume 0.83968E-03 ppm1 2.513 ppm2 7.321 CV 1 ASSI { 2301} ( segid " " and resid 1027 and name HD1%) ( segid " " and resid 1030 and name HB% ) 2.400 0.700 0.700 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.63717E-02 ppm1 0.935 ppm2 1.503 CV 1 ASSI { 1904} (( segid " " and resid 1026 and name HB2 )) (( segid " " and resid 1026 and name HD21)) 2.900 1.000 1.000 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.13435E-02 ppm1 2.927 ppm2 7.696 CV 1 ASSI { 1541} (( segid " " and resid 1039 and name HG3 )) (( segid " " and resid 1040 and name H )) 3.800 1.800 1.800 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.11084E-02 ppm1 2.259 ppm2 8.325 CV 1 ASSI { 1672} ( segid " " and resid 987 and name HG2%) (( segid " " and resid 990 and name H )) 3.800 1.800 1.800 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.76913E-03 ppm1 0.799 ppm2 8.112 CV 1 ASSI { 2588} ( segid " " and resid 1008 and name HG2%) (( segid " " and resid 1020 and name HB3 )) 2.600 0.900 0.900 peak 2588 spectrum 1 weight 0.10000E+01 volume 0.23007E-02 ppm1 1.103 ppm2 1.933 CV 1 ASSI { 1504} ( segid " " and resid 1020 and name HD2%) (( segid " " and resid 1023 and name HB2 )) 3.100 1.200 1.200 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.12091E-02 ppm1 0.816 ppm2 3.323 CV 1 ASSI { 1105} ( segid " " and resid 994 and name HD2%) (( segid " " and resid 1036 and name H )) 4.800 2.900 1.200 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.55083E-03 ppm1 0.921 ppm2 7.939 CV 1 ASSI { 553} (( segid " " and resid 1001 and name HA )) (( segid " " and resid 1024 and name HA )) 3.400 1.400 1.400 peak 553 spectrum 1 weight 0.10000E+01 volume 0.85648E-03 ppm1 3.281 ppm2 3.916 CV 1 ASSI { 1060} ( segid " " and resid 931 and name HG2%) (( segid " " and resid 932 and name HG13)) 4.100 2.200 1.900 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.63813E-03 ppm1 0.957 ppm2 1.820 CV 1 ASSI { 1217} (( segid " " and resid 977 and name HD2 )) (( segid " " and resid 978 and name H )) 3.400 1.400 1.400 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.63478E-03 ppm1 3.329 ppm2 8.371 CV 1 ASSI { 1470} (( segid " " and resid 1043 and name HB2 )) (( segid " " and resid 1043 and name HG3 )) 2.800 0.900 0.900 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.21630E-02 ppm1 1.926 ppm2 2.422 CV 1 ASSI { 2603} ( segid " " and resid 932 and name HG2%) (( segid " " and resid 956 and name H )) 4.100 2.100 1.900 peak 2603 spectrum 1 weight 0.10000E+01 volume 0.75908E-03 ppm1 0.850 ppm2 8.035 CV 1 ASSI { 2981} (( segid " " and resid 951 and name HA )) (( segid " " and resid 954 and name H )) 3.000 1.100 1.100 peak 2981 spectrum 1 weight 0.10000E+01 volume 0.16525E-02 ppm1 4.085 ppm2 8.189 CV 1 ASSI { 2920} ( segid " " and resid 928 and name HB% ) (( segid " " and resid 925 and name H )) 4.000 2.000 2.000 peak 2920 spectrum 1 weight 0.10000E+01 volume 0.55083E-03 ppm1 1.648 ppm2 8.120 CV 1 ASSI { 2677} ( segid " " and resid 966 and name HD2%) (( segid " " and resid 993 and name HB3 )) 3.200 1.200 1.200 peak 2677 spectrum 1 weight 0.10000E+01 volume 0.14275E-02 ppm1 0.490 ppm2 2.961 CV 1 ASSI { 2760} ( segid " " and resid 989 and name HB% ) (( segid " " and resid 966 and name HA )) 2.400 0.700 0.700 peak 2760 spectrum 1 weight 0.10000E+01 volume 0.63347E-02 ppm1 1.400 ppm2 3.889 CV 1 ASSI { 3477} (( segid " " and resid 914 and name HA )) (( segid " " and resid 917 and name HB3 )) 3.300 1.300 1.300 peak 3477 spectrum 1 weight 0.10000E+01 volume 0.14006E-02 ppm1 3.465 ppm2 1.115 CV 1 ASSI { 2304} (( segid " " and resid 1010 and name HA )) (( segid " " and resid 1010 and name H )) 2.800 1.000 1.000 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.27205E-02 ppm1 4.395 ppm2 7.722 CV 1 ASSI { 778} ( segid " " and resid 931 and name HG2%) (( segid " " and resid 931 and name HB )) 2.200 0.600 0.600 peak 778 spectrum 1 weight 0.10000E+01 volume 0.80506E-02 ppm1 0.960 ppm2 4.236 CV 1 ASSI { 2733} ( segid " " and resid 1011 and name HD1%) (( segid " " and resid 1011 and name HG12)) 2.300 0.700 0.700 peak 2733 spectrum 1 weight 0.10000E+01 volume 0.70432E-02 ppm1 0.610 ppm2 1.114 CV 1 ASSI { 522} (( segid " " and resid 950 and name HD3 )) (( segid " " and resid 950 and name HB3 )) 3.400 1.400 1.400 peak 522 spectrum 1 weight 0.10000E+01 volume 0.11117E-02 ppm1 3.664 ppm2 1.826 CV 1 ASSI { 1833} (( segid " " and resid 1035 and name HD2 )) (( segid " " and resid 1035 and name HG3 )) 2.500 0.800 0.800 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.36039E-02 ppm1 3.235 ppm2 1.604 CV 1 OR { 1833} (( segid " " and resid 1035 and name HD3 )) (( segid " " and resid 1035 and name HG3 )) ASSI { 2320} (( segid " " and resid 910 and name HD2 )) (( segid " " and resid 910 and name HB2 )) 3.900 1.900 1.900 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.10714E-02 ppm1 3.769 ppm2 2.102 CV 1 ASSI { 3074} ( segid " " and resid 963 and name HG2%) (( segid " " and resid 963 and name HG13)) 3.200 1.300 1.300 peak 3074 spectrum 1 weight 0.10000E+01 volume 0.33117E-02 ppm1 0.847 ppm2 2.197 CV 1 ASSI { 3308} (( segid " " and resid 994 and name HB3 )) ( segid " " and resid 994 and name HD2%) 2.500 0.800 0.800 peak 3308 spectrum 1 weight 0.10000E+01 volume 0.41345E-02 ppm1 1.921 ppm2 0.925 CV 1 OR { 3308} (( segid " " and resid 994 and name HB3 )) ( segid " " and resid 994 and name HD1%) ASSI { 1837} ( segid " " and resid 952 and name HD2%) (( segid " " and resid 1000 and name HG3 )) 3.000 1.200 1.200 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.13905E-02 ppm1 0.701 ppm2 2.168 CV 1 ASSI { 2590} ( segid " " and resid 925 and name HB% ) (( segid " " and resid 963 and name HG13)) 4.500 2.500 1.500 peak 2590 spectrum 1 weight 0.10000E+01 volume 0.75574E-03 ppm1 1.230 ppm2 2.192 CV 1 ASSI { 1554} (( segid " " and resid 948 and name HD3 )) (( segid " " and resid 947 and name HA2 )) 2.600 0.800 0.800 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.33050E-02 ppm1 3.548 ppm2 4.096 CV 1 ASSI { 2000} ( segid " " and resid 987 and name HG2%) ( segid " " and resid 1038 and name HB% ) 2.400 0.700 0.700 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.51690E-02 ppm1 0.802 ppm2 1.393 CV 1 ASSI { 2905} (( segid " " and resid 940 and name HB3 )) (( segid " " and resid 940 and name H )) 3.200 1.200 1.200 peak 2905 spectrum 1 weight 0.10000E+01 volume 0.17566E-02 ppm1 3.843 ppm2 7.625 CV 1 OR { 2905} (( segid " " and resid 940 and name HB2 )) (( segid " " and resid 940 and name H )) ASSI { 1539} (( segid " " and resid 956 and name HB2 )) (( segid " " and resid 956 and name HB3 )) 2.200 0.600 0.600 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.46484E-02 ppm1 3.236 ppm2 2.704 CV 1 ASSI { 47} (( segid " " and resid 1009 and name HD2 )) (( segid " " and resid 1008 and name H )) 2.300 0.700 0.700 peak 47 spectrum 1 weight 0.10000E+01 volume 0.36173E-02 ppm1 3.578 ppm2 7.532 CV 1 OR { 47} (( segid " " and resid 1009 and name HD3 )) (( segid " " and resid 1008 and name H )) ASSI { 1319} ( segid " " and resid 913 and name HD1%) (( segid " " and resid 1041 and name H )) 3.800 1.800 1.800 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.82957E-03 ppm1 0.865 ppm2 7.618 CV 1 ASSI { 3515} (( segid " " and resid 1009 and name HG2 )) (( segid " " and resid 1009 and name HB3 )) 2.400 0.700 0.700 peak 3515 spectrum 1 weight 0.10000E+01 volume 0.65660E-02 ppm1 1.923 ppm2 2.351 CV 1 OR { 3515} (( segid " " and resid 1009 and name HG3 )) (( segid " " and resid 1009 and name HB3 )) ASSI { 1018} ( segid " " and resid 1003 and name HB% ) (( segid " " and resid 952 and name H )) 3.300 1.300 1.300 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.11319E-02 ppm1 1.331 ppm2 8.015 CV 1 ASSI { 3432} (( segid " " and resid 983 and name HA )) (( segid " " and resid 986 and name HB2 )) 2.900 1.000 1.000 peak 3432 spectrum 1 weight 0.10000E+01 volume 0.17264E-02 ppm1 3.860 ppm2 2.102 CV 1 ASSI { 1967} (( segid " " and resid 916 and name HA )) (( segid " " and resid 916 and name HB2 )) 2.600 0.800 0.800 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.43495E-02 ppm1 3.892 ppm2 1.850 CV 1 OR { 1967} (( segid " " and resid 916 and name HA )) (( segid " " and resid 916 and name HB3 )) ASSI { 1181} ( segid " " and resid 931 and name HG2%) (( segid " " and resid 1000 and name HG2 )) 3.100 1.200 1.200 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.15752E-02 ppm1 0.960 ppm2 2.322 CV 1 OR { 1181} ( segid " " and resid 931 and name HG2%) (( segid " " and resid 1000 and name HB3 )) ASSI { 2330} (( segid " " and resid 1027 and name HB3 )) (( segid " " and resid 1027 and name H )) 2.800 1.000 1.000 peak 2330 spectrum 1 weight 0.10000E+01 volume 0.17835E-02 ppm1 1.359 ppm2 8.797 CV 1 ASSI { 1484} (( segid " " and resid 996 and name HA )) (( segid " " and resid 997 and name H )) 3.300 1.300 1.300 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.96392E-03 ppm1 4.168 ppm2 7.835 CV 1 ASSI { 427} (( segid " " and resid 1024 and name HA )) ( segid " " and resid 1024 and name HB% ) 2.200 0.600 0.600 peak 427 spectrum 1 weight 0.10000E+01 volume 0.89271E-02 ppm1 3.919 ppm2 1.427 CV 1 ASSI { 197} (( segid " " and resid 971 and name HB3 )) (( segid " " and resid 971 and name H )) 2.500 0.800 0.800 peak 197 spectrum 1 weight 0.10000E+01 volume 0.44100E-02 ppm1 1.786 ppm2 8.296 CV 1 OR { 197} (( segid " " and resid 971 and name HB2 )) (( segid " " and resid 971 and name H )) ASSI { 2729} ( segid " " and resid 1017 and name HB% ) ( segid " " and resid 1008 and name HG2%) 3.400 1.500 1.500 peak 2729 spectrum 1 weight 0.10000E+01 volume 0.20958E-02 ppm1 1.494 ppm2 1.103 CV 1 ASSI { 1843} (( segid " " and resid 953 and name HA )) (( segid " " and resid 953 and name HB )) 2.900 1.100 1.100 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.25157E-02 ppm1 3.550 ppm2 2.049 CV 1 ASSI { 27} ( segid " " and resid 917 and name HD1%) ( segid " " and resid 917 and name HD2%) 2.200 0.600 0.600 peak 27 spectrum 1 weight 0.10000E+01 volume 0.11433E-01 ppm1 0.700 ppm2 0.856 CV 1 ASSI { 3299} ( segid " " and resid 1008 and name HG2%) (( segid " " and resid 1005 and name HA )) 2.400 0.700 0.700 peak 3299 spectrum 1 weight 0.10000E+01 volume 0.44100E-02 ppm1 1.102 ppm2 3.776 CV 1 ASSI { 1088} ( segid " " and resid 963 and name HG2%) ( segid " " and resid 925 and name HB% ) 2.200 0.600 0.600 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.95860E-02 ppm1 0.847 ppm2 1.229 CV 1 ASSI { 1416} (( segid " " and resid 996 and name HG3 )) ( segid " " and resid 959 and name HG2%) 4.400 2.400 1.600 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.68518E-03 ppm1 1.759 ppm2 0.745 CV 1 ASSI { 2012} (( segid " " and resid 957 and name HD2 )) (( segid " " and resid 957 and name H )) 4.000 2.000 2.000 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.66169E-03 ppm1 1.596 ppm2 7.591 CV 1 OR { 2012} (( segid " " and resid 957 and name HD3 )) (( segid " " and resid 957 and name H )) ASSI { 2974} ( segid " " and resid 932 and name HG2%) ( segid " " and resid 960 and name HB% ) 3.000 1.100 1.100 peak 2974 spectrum 1 weight 0.10000E+01 volume 0.27575E-02 ppm1 0.849 ppm2 1.500 CV 1 ASSI { 2958} (( segid " " and resid 1012 and name HA )) (( segid " " and resid 1012 and name H )) 2.800 1.000 1.000 peak 2958 spectrum 1 weight 0.10000E+01 volume 0.25492E-02 ppm1 3.998 ppm2 8.543 CV 1 ASSI { 1530} (( segid " " and resid 918 and name HB3 )) (( segid " " and resid 915 and name HA )) 4.300 2.300 1.700 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.92027E-03 ppm1 1.702 ppm2 3.851 CV 1 ASSI { 214} (( segid " " and resid 1019 and name HB2 )) ( segid " " and resid 934 and name HB% ) 4.400 2.400 1.600 peak 214 spectrum 1 weight 0.10000E+01 volume 0.72883E-03 ppm1 2.167 ppm2 1.515 CV 1 ASSI { 3185} ( segid " " and resid 913 and name HD1%) (( segid " " and resid 913 and name HB2 )) 2.400 0.700 0.700 peak 3185 spectrum 1 weight 0.10000E+01 volume 0.58508E-02 ppm1 0.866 ppm2 1.898 CV 1 ASSI { 3217} (( segid " " and resid 958 and name HA )) (( segid " " and resid 961 and name HG2 )) 3.700 1.700 1.700 peak 3217 spectrum 1 weight 0.10000E+01 volume 0.64823E-03 ppm1 4.150 ppm2 2.437 CV 1 ASSI { 10} ( segid " " and resid 924 and name HB% ) ( segid " " and resid 993 and name HE% ) 2.500 0.800 0.800 peak 10 spectrum 1 weight 0.10000E+01 volume 0.36543E-02 ppm1 1.273 ppm2 6.924 CV 1 ASSI { 2528} (( segid " " and resid 983 and name HA )) (( segid " " and resid 983 and name HB3 )) 2.600 0.800 0.800 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.33520E-02 ppm1 3.860 ppm2 1.955 CV 1 ASSI { 898} ( segid " " and resid 1027 and name HD2%) (( segid " " and resid 928 and name H )) 2.900 2.900 3.100 peak 898 spectrum 1 weight 0.10000E+01 volume 0.91023E-03 ppm1 0.821 ppm2 8.954 CV 1 ASSI { 98} (( segid " " and resid 1025 and name HE3 )) (( segid " " and resid 1022 and name HA )) 3.100 1.200 1.200 peak 98 spectrum 1 weight 0.10000E+01 volume 0.13670E-02 ppm1 2.888 ppm2 3.994 CV 1 OR { 98} (( segid " " and resid 1025 and name HE2 )) (( segid " " and resid 1022 and name HA )) ASSI { 2942} ( segid " " and resid 960 and name HB% ) (( segid " " and resid 961 and name H )) 2.500 0.800 0.800 peak 2942 spectrum 1 weight 0.10000E+01 volume 0.64955E-02 ppm1 1.500 ppm2 7.464 CV 1 ASSI { 242} (( segid " " and resid 1042 and name HA )) ( segid " " and resid 1041 and name HB% ) 3.500 1.500 1.500 peak 242 spectrum 1 weight 0.10000E+01 volume 0.12394E-02 ppm1 4.110 ppm2 1.308 CV 1 ASSI { 992} ( segid " " and resid 963 and name HD1%) (( segid " " and resid 932 and name HG13)) 3.300 1.400 1.400 peak 992 spectrum 1 weight 0.10000E+01 volume 0.92362E-03 ppm1 0.934 ppm2 1.823 CV 1 ASSI { 2078} (( segid " " and resid 1035 and name HG2 )) (( segid " " and resid 1035 and name HB2 )) 3.300 1.400 1.400 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.14140E-02 ppm1 1.466 ppm2 1.964 CV 1 ASSI { 3256} (( segid " " and resid 968 and name HG2 )) (( segid " " and resid 968 and name HB3 )) 2.400 0.700 0.700 peak 3256 spectrum 1 weight 0.10000E+01 volume 0.57937E-02 ppm1 2.387 ppm2 2.025 CV 1 OR { 3256} (( segid " " and resid 968 and name HG3 )) (( segid " " and resid 968 and name HB3 )) ASSI { 688} (( segid " " and resid 920 and name HA )) (( segid " " and resid 923 and name HG2 )) 3.000 1.100 1.100 peak 688 spectrum 1 weight 0.10000E+01 volume 0.79603E-03 ppm1 4.024 ppm2 2.205 CV 1 ASSI { 2736} ( segid " " and resid 966 and name HD1%) ( segid " " and resid 993 and name HD% ) 2.700 0.900 0.900 peak 2736 spectrum 1 weight 0.10000E+01 volume 0.29053E-02 ppm1 -0.046 ppm2 6.994 CV 1 ASSI { 2890} (( segid " " and resid 963 and name HG13)) ( segid " " and resid 993 and name HE% ) 3.000 1.100 1.100 peak 2890 spectrum 1 weight 0.10000E+01 volume 0.10949E-02 ppm1 2.196 ppm2 6.923 CV 1 ASSI { 1613} ( segid " " and resid 965 and name HD1%) (( segid " " and resid 965 and name HA )) 3.600 1.700 1.700 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.25425E-02 ppm1 0.937 ppm2 4.038 CV 1 ASSI { 2472} ( segid " " and resid 931 and name HG2%) ( segid " " and resid 1024 and name HB% ) 2.900 1.000 1.000 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.29456E-02 ppm1 0.959 ppm2 1.427 CV 1 ASSI { 2285} (( segid " " and resid 942 and name HB2 )) (( segid " " and resid 942 and name HG3 )) 2.900 1.000 1.000 peak 2285 spectrum 1 weight 0.10000E+01 volume 0.35367E-02 ppm1 2.240 ppm2 1.961 CV 1 ASSI { 1749} ( segid " " and resid 975 and name HB% ) (( segid " " and resid 974 and name HA )) 3.600 1.600 1.600 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.10815E-02 ppm1 1.460 ppm2 3.948 CV 1 ASSI { 1769} (( segid " " and resid 1023 and name HB2 )) (( segid " " and resid 1023 and name H )) 2.800 1.000 1.000 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.16592E-02 ppm1 3.323 ppm2 8.371 CV 1 ASSI { 1124} (( segid " " and resid 1021 and name HB3 )) (( segid " " and resid 1021 and name H )) 2.300 0.700 0.700 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.67813E-02 ppm1 4.035 ppm2 8.395 CV 1 ASSI { 502} (( segid " " and resid 912 and name HB )) (( segid " " and resid 914 and name H )) 3.300 1.400 1.400 peak 502 spectrum 1 weight 0.10000E+01 volume 0.11184E-02 ppm1 4.503 ppm2 8.004 CV 1 ASSI { 70} ( segid " " and resid 984 and name HD1%) (( segid " " and resid 984 and name HG )) 2.200 0.600 0.600 peak 70 spectrum 1 weight 0.10000E+01 volume 0.10684E-01 ppm1 0.842 ppm2 1.743 CV 1 ASSI { 2582} ( segid " " and resid 951 and name HD1%) (( segid " " and resid 951 and name HA )) 2.500 0.800 0.800 peak 2582 spectrum 1 weight 0.10000E+01 volume 0.65092E-02 ppm1 0.842 ppm2 4.084 CV 1 OR { 2582} ( segid " " and resid 951 and name HD2%) (( segid " " and resid 951 and name HA )) ASSI { 412} (( segid " " and resid 1042 and name HB3 )) (( segid " " and resid 1042 and name HB2 )) 1.700 0.400 0.500 peak 412 spectrum 1 weight 0.10000E+01 volume 0.15329E-01 ppm1 2.196 ppm2 2.114 CV 1 ASSI { 1927} (( segid " " and resid 1019 and name HA )) (( segid " " and resid 1016 and name HA )) 4.600 2.600 1.400 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.64489E-03 ppm1 4.112 ppm2 4.216 CV 1 ASSI { 2841} ( segid " " and resid 1031 and name HD1%) (( segid " " and resid 994 and name HA )) 3.500 1.500 1.500 peak 2841 spectrum 1 weight 0.10000E+01 volume 0.80273E-03 ppm1 0.703 ppm2 3.813 CV 1 ASSI { 3013} (( segid " " and resid 1009 and name HG3 )) (( segid " " and resid 1005 and name HA )) 4.300 2.300 1.700 peak 3013 spectrum 1 weight 0.10000E+01 volume 0.71203E-03 ppm1 1.917 ppm2 3.781 CV 1 OR { 3013} (( segid " " and resid 1009 and name HG2 )) (( segid " " and resid 1005 and name HA )) ASSI { 1957} (( segid " " and resid 915 and name HG2 )) (( segid " " and resid 911 and name HB2 )) 3.100 1.200 1.200 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.63143E-03 ppm1 2.236 ppm2 3.133 CV 1 OR { 1957} (( segid " " and resid 915 and name HG3 )) (( segid " " and resid 911 and name HB2 )) ASSI { 1977} (( segid " " and resid 943 and name HA )) (( segid " " and resid 943 and name HB2 )) 2.800 1.000 1.000 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.41009E-02 ppm1 4.249 ppm2 1.833 CV 1 ASSI { 2388} (( segid " " and resid 1040 and name HE2 )) ( segid " " and resid 1036 and name HG2%) 2.600 0.800 0.800 peak 2388 spectrum 1 weight 0.10000E+01 volume 0.28381E-02 ppm1 2.825 ppm2 1.196 CV 1 ASSI { 1740} (( segid " " and resid 1040 and name HG3 )) (( segid " " and resid 1040 and name H )) 2.700 0.900 0.900 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.17566E-02 ppm1 1.503 ppm2 8.323 CV 1 ASSI { 987} (( segid " " and resid 922 and name HB3 )) ( segid " " and resid 926 and name HB% ) 3.400 1.500 1.500 peak 987 spectrum 1 weight 0.10000E+01 volume 0.10546E-02 ppm1 1.856 ppm2 1.423 CV 1 OR { 987} (( segid " " and resid 922 and name HB2 )) ( segid " " and resid 926 and name HB% ) ASSI { 1123} (( segid " " and resid 962 and name HG3 )) (( segid " " and resid 993 and name HA )) 2.700 0.900 0.900 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.28213E-02 ppm1 2.401 ppm2 4.061 CV 1 ASSI { 3345} ( segid " " and resid 925 and name HB% ) ( segid " " and resid 993 and name HE% ) 4.100 2.100 1.900 peak 3345 spectrum 1 weight 0.10000E+01 volume 0.60794E-03 ppm1 1.231 ppm2 6.927 CV 1 ASSI { 683} (( segid " " and resid 910 and name HG2 )) (( segid " " and resid 910 and name HD2 )) 2.400 0.700 0.700 peak 683 spectrum 1 weight 0.10000E+01 volume 0.40875E-02 ppm1 1.848 ppm2 3.767 CV 1 ASSI { 1226} (( segid " " and resid 1022 and name HG2 )) (( segid " " and resid 1026 and name HD22)) 2.900 1.100 1.100 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.20286E-02 ppm1 2.403 ppm2 6.941 CV 1 OR { 1226} (( segid " " and resid 1022 and name HG3 )) (( segid " " and resid 1026 and name HD22)) ASSI { 809} ( segid " " and resid 1020 and name HD1%) (( segid " " and resid 1008 and name H )) 3.100 1.200 1.200 peak 809 spectrum 1 weight 0.10000E+01 volume 0.62474E-03 ppm1 0.757 ppm2 7.528 CV 1 ASSI { 3539} ( segid " " and resid 975 and name HB% ) (( segid " " and resid 975 and name H )) 2.100 0.500 0.500 peak 3539 spectrum 1 weight 0.10000E+01 volume 0.15490E-01 ppm1 1.460 ppm2 7.728 CV 1 ASSI { 3011} (( segid " " and resid 944 and name HA )) (( segid " " and resid 944 and name H )) 3.300 1.400 1.400 peak 3011 spectrum 1 weight 0.10000E+01 volume 0.11554E-02 ppm1 4.250 ppm2 8.187 CV 1 ASSI { 1799} (( segid " " and resid 1042 and name HG2 )) (( segid " " and resid 1042 and name H )) 3.800 1.800 1.800 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.16525E-02 ppm1 2.426 ppm2 7.736 CV 1 ASSI { 3361} (( segid " " and resid 977 and name HD3 )) (( segid " " and resid 977 and name HD2 )) 1.800 0.400 0.400 peak 3361 spectrum 1 weight 0.10000E+01 volume 0.12159E-01 ppm1 3.534 ppm2 3.328 CV 1 ASSI { 703} ( segid " " and resid 1001 and name HG1%) (( segid " " and resid 1028 and name HA2 )) 2.800 1.000 1.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.24854E-02 ppm1 0.886 ppm2 3.703 CV 1 ASSI { 2869} (( segid " " and resid 1042 and name HA )) (( segid " " and resid 1042 and name HB2 )) 2.300 0.700 0.700 peak 2869 spectrum 1 weight 0.10000E+01 volume 0.51993E-02 ppm1 4.111 ppm2 2.114 CV 1 ASSI { 1302} (( segid " " and resid 987 and name HA )) (( segid " " and resid 988 and name H )) 3.500 1.500 1.500 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.78593E-03 ppm1 3.363 ppm2 8.518 CV 1 ASSI { 3226} (( segid " " and resid 1029 and name HA )) (( segid " " and resid 1030 and name H )) 3.200 1.200 1.200 peak 3226 spectrum 1 weight 0.10000E+01 volume 0.14342E-02 ppm1 4.025 ppm2 8.279 CV 1 ASSI { 3438} (( segid " " and resid 1006 and name HA )) (( segid " " and resid 1007 and name H )) 3.200 1.200 1.200 peak 3438 spectrum 1 weight 0.10000E+01 volume 0.14275E-02 ppm1 4.123 ppm2 7.632 CV 1 ASSI { 3281} ( segid " " and resid 1017 and name HB% ) (( segid " " and resid 1020 and name HB3 )) 4.000 2.000 2.000 peak 3281 spectrum 1 weight 0.10000E+01 volume 0.89678E-03 ppm1 1.512 ppm2 1.945 CV 1 ASSI { 3210} (( segid " " and resid 984 and name HB2 )) (( segid " " and resid 984 and name HA )) 3.000 1.100 1.100 peak 3210 spectrum 1 weight 0.10000E+01 volume 0.23746E-02 ppm1 1.772 ppm2 3.974 CV 1 ASSI { 2060} ( segid " " and resid 1001 and name HG1%) (( segid " " and resid 1005 and name HE2 )) 2.800 1.000 1.000 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.39532E-02 ppm1 0.886 ppm2 2.757 CV 1 ASSI { 2591} (( segid " " and resid 1001 and name HA )) ( segid " " and resid 1004 and name HB% ) 2.600 0.900 0.900 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.35132E-02 ppm1 3.280 ppm2 1.276 CV 1 ASSI { 1165} ( segid " " and resid 1034 and name HD2%) (( segid " " and resid 921 and name HA )) 2.900 1.100 1.100 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.22335E-02 ppm1 0.895 ppm2 3.814 CV 1 ASSI { 3209} ( segid " " and resid 925 and name HB% ) (( segid " " and resid 927 and name H )) 4.000 2.000 2.000 peak 3209 spectrum 1 weight 0.10000E+01 volume 0.93373E-03 ppm1 1.232 ppm2 8.504 CV 1 ASSI { 2765} (( segid " " and resid 1023 and name HA )) (( segid " " and resid 1026 and name HD21)) 3.200 1.300 1.300 peak 2765 spectrum 1 weight 0.10000E+01 volume 0.90682E-03 ppm1 4.119 ppm2 7.699 CV 1 ASSI { 449} ( segid " " and resid 917 and name HD2%) (( segid " " and resid 1038 and name H )) 3.000 1.100 1.100 peak 449 spectrum 1 weight 0.10000E+01 volume 0.29053E-02 ppm1 0.856 ppm2 8.726 CV 1 ASSI { 1972} ( segid " " and resid 1027 and name HD2%) ( segid " " and resid 1001 and name HG2%) 2.200 0.600 0.600 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.70802E-02 ppm1 0.821 ppm2 1.021 CV 1 ASSI { 1942} ( segid " " and resid 1029 and name HG2%) (( segid " " and resid 1030 and name HA )) 3.100 1.200 1.200 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.19615E-02 ppm1 1.237 ppm2 4.153 CV 1 ASSI { 1618} ( segid " " and resid 1027 and name HD2%) (( segid " " and resid 1001 and name H )) 3.700 1.700 1.700 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.10110E-02 ppm1 0.818 ppm2 7.927 CV 1 ASSI { 1409} (( segid " " and resid 980 and name HD3 )) (( segid " " and resid 981 and name H )) 3.900 1.900 1.900 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.11084E-02 ppm1 3.982 ppm2 7.895 CV 1 ASSI { 2592} ( segid " " and resid 913 and name HD2%) (( segid " " and resid 1040 and name HD2 )) 2.700 0.900 0.900 peak 2592 spectrum 1 weight 0.10000E+01 volume 0.41345E-02 ppm1 0.785 ppm2 1.567 CV 1 OR { 2592} ( segid " " and resid 913 and name HD2%) (( segid " " and resid 1040 and name HD3 )) ASSI { 1715} (( segid " " and resid 962 and name HG3 )) (( segid " " and resid 962 and name HE21)) 2.600 0.800 0.800 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.24250E-02 ppm1 2.400 ppm2 7.611 CV 1 ASSI { 1109} ( segid " " and resid 908 and name HG2%) (( segid " " and resid 909 and name H )) 3.300 1.400 1.400 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.19715E-02 ppm1 0.798 ppm2 8.345 CV 1 ASSI { 3093} (( segid " " and resid 1023 and name HA )) (( segid " " and resid 1024 and name H )) 3.300 1.400 1.400 peak 3093 spectrum 1 weight 0.10000E+01 volume 0.10815E-02 ppm1 4.118 ppm2 8.664 CV 1 ASSI { 212} (( segid " " and resid 936 and name HG3 )) (( segid " " and resid 936 and name H )) 2.900 1.000 1.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.17297E-02 ppm1 2.344 ppm2 8.463 CV 1 ASSI { 1063} (( segid " " and resid 963 and name HG12)) (( segid " " and resid 993 and name HZ )) 3.700 1.700 1.700 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.43663E-03 ppm1 0.916 ppm2 6.765 CV 1 ASSI { 358} (( segid " " and resid 931 and name HA )) (( segid " " and resid 931 and name H )) 2.900 1.000 1.000 peak 358 spectrum 1 weight 0.10000E+01 volume 0.17902E-02 ppm1 3.804 ppm2 8.044 CV 1 ASSI { 2032} (( segid " " and resid 963 and name HA )) (( segid " " and resid 963 and name HB )) 2.900 1.100 1.100 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.16861E-02 ppm1 3.691 ppm2 1.989 CV 1 ASSI { 2662} ( segid " " and resid 1030 and name HB% ) (( segid " " and resid 1027 and name H )) 3.100 1.200 1.200 peak 2662 spectrum 1 weight 0.10000E+01 volume 0.68518E-03 ppm1 1.507 ppm2 8.796 CV 1 ASSI { 2875} ( segid " " and resid 1031 and name HD1%) (( segid " " and resid 998 and name HA2 )) 3.100 1.200 1.200 peak 2875 spectrum 1 weight 0.10000E+01 volume 0.11420E-02 ppm1 0.701 ppm2 3.926 CV 1 ASSI { 1493} ( segid " " and resid 986 and name HD1%) ( segid " " and resid 986 and name HD2%) 2.300 0.700 0.700 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.94479E-02 ppm1 0.859 ppm2 0.676 CV 1 ASSI { 663} (( segid " " and resid 996 and name HD3 )) (( segid " " and resid 995 and name H )) 2.800 1.000 1.000 peak 663 spectrum 1 weight 0.10000E+01 volume 0.28616E-02 ppm1 3.489 ppm2 8.337 CV 1 ASSI { 1023} ( segid " " and resid 908 and name HD1%) (( segid " " and resid 908 and name HA )) 3.500 1.500 1.500 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.13099E-02 ppm1 0.764 ppm2 4.119 CV 1 ASSI { 3433} ( segid " " and resid 1030 and name HB% ) (( segid " " and resid 1030 and name H )) 2.100 0.600 0.600 peak 3433 spectrum 1 weight 0.10000E+01 volume 0.11352E-01 ppm1 1.507 ppm2 8.277 CV 1 ASSI { 879} (( segid " " and resid 910 and name HB2 )) (( segid " " and resid 911 and name H )) 3.700 1.700 1.700 peak 879 spectrum 1 weight 0.10000E+01 volume 0.73893E-03 ppm1 2.105 ppm2 8.105 CV 1 ASSI { 791} ( segid " " and resid 970 and name HG2%) (( segid " " and resid 922 and name HB2 )) 2.700 2.700 3.300 peak 791 spectrum 1 weight 0.10000E+01 volume 0.15450E-02 ppm1 0.918 ppm2 1.817 CV 1 OR { 791} ( segid " " and resid 970 and name HG2%) (( segid " " and resid 922 and name HB3 )) ASSI { 3372} ( segid " " and resid 1020 and name HD2%) ( segid " " and resid 931 and name HG2%) 2.400 0.700 0.700 peak 3372 spectrum 1 weight 0.10000E+01 volume 0.67645E-02 ppm1 0.817 ppm2 0.960 CV 1 ASSI { 3205} ( segid " " and resid 1038 and name HB% ) (( segid " " and resid 990 and name HB2 )) 2.800 1.000 1.000 peak 3205 spectrum 1 weight 0.10000E+01 volume 0.17498E-02 ppm1 1.395 ppm2 4.133 CV 1 ASSI { 54} ( segid " " and resid 1017 and name HB% ) ( segid " " and resid 1011 and name HD1%) 3.200 1.300 1.300 peak 54 spectrum 1 weight 0.10000E+01 volume 0.23914E-02 ppm1 1.494 ppm2 0.609 CV 1 ASSI { 2174} (( segid " " and resid 936 and name HG3 )) (( segid " " and resid 936 and name HG2 )) 1.900 0.400 0.400 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.10577E-01 ppm1 2.339 ppm2 2.538 CV 1 ASSI { 2300} (( segid " " and resid 943 and name HA )) (( segid " " and resid 943 and name HG2 )) 2.800 1.000 1.000 peak 2300 spectrum 1 weight 0.10000E+01 volume 0.37282E-02 ppm1 4.249 ppm2 1.369 CV 1 OR { 2300} (( segid " " and resid 943 and name HA )) (( segid " " and resid 943 and name HG3 )) ASSI { 406} (( segid " " and resid 961 and name HA )) (( segid " " and resid 961 and name HB2 )) 2.400 0.700 0.700 peak 406 spectrum 1 weight 0.10000E+01 volume 0.72482E-02 ppm1 4.068 ppm2 2.064 CV 1 OR { 406} (( segid " " and resid 961 and name HA )) (( segid " " and resid 961 and name HB3 )) ASSI { 1284} (( segid " " and resid 952 and name HG )) ( segid " " and resid 1004 and name HB% ) 3.800 1.800 1.800 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.10043E-02 ppm1 1.390 ppm2 1.265 CV 1 ASSI { 512} ( segid " " and resid 986 and name HD1%) (( segid " " and resid 986 and name HB3 )) 2.800 0.900 0.900 peak 512 spectrum 1 weight 0.10000E+01 volume 0.33184E-02 ppm1 0.858 ppm2 1.374 CV 1 ASSI { 1454} ( segid " " and resid 924 and name HB% ) ( segid " " and resid 993 and name HD% ) 3.000 1.100 1.100 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.20992E-02 ppm1 1.273 ppm2 6.995 CV 1 ASSI { 1674} ( segid " " and resid 1029 and name HG2%) (( segid " " and resid 1033 and name H )) 3.600 1.600 1.600 peak 1674 spectrum 1 weight 0.10000E+01 volume 0.66838E-03 ppm1 1.239 ppm2 7.834 CV 1 ASSI { 1085} ( segid " " and resid 966 and name HD2%) (( segid " " and resid 966 and name HA )) 2.200 0.600 0.600 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.83125E-02 ppm1 0.490 ppm2 3.889 CV 1 ASSI { 3133} ( segid " " and resid 970 and name HG2%) (( segid " " and resid 922 and name H )) 2.900 1.100 1.100 peak 3133 spectrum 1 weight 0.10000E+01 volume 0.26634E-02 ppm1 0.917 ppm2 8.133 CV 1 ASSI { 922} ( segid " " and resid 932 and name HD1%) (( segid " " and resid 959 and name HB )) 2.700 0.900 0.900 peak 922 spectrum 1 weight 0.10000E+01 volume 0.24552E-02 ppm1 0.828 ppm2 2.058 CV 1 ASSI { 978} (( segid " " and resid 916 and name HA )) (( segid " " and resid 919 and name HB2 )) 2.700 0.900 0.900 peak 978 spectrum 1 weight 0.10000E+01 volume 0.33453E-02 ppm1 3.892 ppm2 3.086 CV 1 OR { 978} (( segid " " and resid 916 and name HA )) (( segid " " and resid 919 and name HB3 )) ASSI { 3258} (( segid " " and resid 1021 and name HA )) (( segid " " and resid 1024 and name H )) 3.200 1.300 1.300 peak 3258 spectrum 1 weight 0.10000E+01 volume 0.12494E-02 ppm1 3.851 ppm2 8.666 CV 1 ASSI { 2530} ( segid " " and resid 925 and name HB% ) (( segid " " and resid 963 and name HB )) 4.400 2.500 1.600 peak 2530 spectrum 1 weight 0.10000E+01 volume 0.88667E-03 ppm1 1.229 ppm2 1.969 CV 1 ASSI { 2881} (( segid " " and resid 959 and name HA )) (( segid " " and resid 960 and name H )) 3.300 1.400 1.400 peak 2881 spectrum 1 weight 0.10000E+01 volume 0.10345E-02 ppm1 3.390 ppm2 8.669 CV 1 ASSI { 2014} ( segid " " and resid 917 and name HD1%) (( segid " " and resid 917 and name HB2 )) 2.600 0.900 0.900 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.29523E-02 ppm1 0.700 ppm2 2.169 CV 1 ASSI { 3530} (( segid " " and resid 1011 and name HA )) ( segid " " and resid 1011 and name HG2%) 2.700 0.900 0.900 peak 3530 spectrum 1 weight 0.10000E+01 volume 0.32210E-02 ppm1 3.963 ppm2 0.948 CV 1 ASSI { 2192} ( segid " " and resid 1034 and name HD2%) (( segid " " and resid 990 and name HA )) 2.600 0.900 0.900 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.32210E-02 ppm1 0.895 ppm2 3.966 CV 1 ASSI { 492} (( segid " " and resid 948 and name HB3 )) (( segid " " and resid 948 and name HD2 )) 3.900 1.900 1.900 peak 492 spectrum 1 weight 0.10000E+01 volume 0.12058E-02 ppm1 1.856 ppm2 3.632 CV 1 ASSI { 2996} (( segid " " and resid 949 and name HG3 )) (( segid " " and resid 950 and name HD2 )) 3.900 1.900 1.900 peak 2996 spectrum 1 weight 0.10000E+01 volume 0.89678E-03 ppm1 2.307 ppm2 3.562 CV 1 OR { 2996} (( segid " " and resid 949 and name HG2 )) (( segid " " and resid 950 and name HD2 )) ASSI { 1035} (( segid " " and resid 923 and name HG3 )) (( segid " " and resid 924 and name H )) 3.200 1.300 1.300 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.82957E-03 ppm1 2.132 ppm2 8.227 CV 1 ASSI { 169} (( segid " " and resid 942 and name HB3 )) (( segid " " and resid 942 and name HD2 )) 4.000 2.000 2.000 peak 169 spectrum 1 weight 0.10000E+01 volume 0.10681E-02 ppm1 1.856 ppm2 3.748 CV 1 ASSI { 1269} (( segid " " and resid 952 and name HB3 )) ( segid " " and resid 952 and name HD2%) 2.900 1.000 1.000 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.18405E-02 ppm1 1.412 ppm2 0.703 CV 1 ASSI { 624} (( segid " " and resid 979 and name HB3 )) (( segid " " and resid 976 and name HB3 )) 3.000 1.100 1.100 peak 624 spectrum 1 weight 0.10000E+01 volume 0.13939E-02 ppm1 3.853 ppm2 2.025 CV 1 ASSI { 787} (( segid " " and resid 1005 and name HE2 )) (( segid " " and resid 1005 and name HG2 )) 2.800 1.000 1.000 peak 787 spectrum 1 weight 0.10000E+01 volume 0.18843E-02 ppm1 2.759 ppm2 1.343 CV 1 ASSI { 2265} (( segid " " and resid 1026 and name HB2 )) (( segid " " and resid 1026 and name HD22)) 4.400 2.400 1.600 peak 2265 spectrum 1 weight 0.10000E+01 volume 0.67508E-03 ppm1 2.929 ppm2 6.943 CV 1 ASSI { 2925} ( segid " " and resid 935 and name HB% ) ( segid " " and resid 952 and name HD2%) 2.500 0.800 0.800 peak 2925 spectrum 1 weight 0.10000E+01 volume 0.51052E-02 ppm1 1.353 ppm2 0.704 CV 1 ASSI { 3404} ( segid " " and resid 963 and name HD1%) ( segid " " and resid 929 and name HG2%) 3.000 1.100 1.100 peak 3404 spectrum 1 weight 0.10000E+01 volume 0.32076E-02 ppm1 0.935 ppm2 1.228 CV 1 ASSI { 3165} ( segid " " and resid 1001 and name HG2%) (( segid " " and resid 998 and name HA2 )) 2.600 0.800 0.800 peak 3165 spectrum 1 weight 0.10000E+01 volume 0.30295E-02 ppm1 1.021 ppm2 3.921 CV 1 ASSI { 50} (( segid " " and resid 963 and name HG13)) (( segid " " and resid 963 and name HG12)) 1.900 0.500 0.500 peak 50 spectrum 1 weight 0.10000E+01 volume 0.68584E-02 ppm1 2.197 ppm2 0.927 CV 1 OR { 50} (( segid " " and resid 963 and name HG13)) ( segid " " and resid 963 and name HD1%) ASSI { 2775} (( segid " " and resid 979 and name HB2 )) (( segid " " and resid 976 and name HB3 )) 3.000 1.100 1.100 peak 2775 spectrum 1 weight 0.10000E+01 volume 0.10244E-02 ppm1 4.089 ppm2 2.025 CV 1 ASSI { 2998} ( segid " " and resid 952 and name HD2%) (( segid " " and resid 952 and name HG )) 2.100 0.600 0.600 peak 2998 spectrum 1 weight 0.10000E+01 volume 0.10865E-01 ppm1 0.704 ppm2 1.404 CV 1 OR { 2998} ( segid " " and resid 952 and name HD2%) (( segid " " and resid 952 and name HB3 )) ASSI { 1268} (( segid " " and resid 966 and name HB3 )) ( segid " " and resid 970 and name HG2%) 3.400 1.500 1.500 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.63478E-03 ppm1 1.589 ppm2 0.921 CV 1 ASSI { 677} (( segid " " and resid 922 and name HD2 )) (( segid " " and resid 919 and name HA )) 3.500 1.500 1.500 peak 677 spectrum 1 weight 0.10000E+01 volume 0.13267E-02 ppm1 1.585 ppm2 4.131 CV 1 OR { 677} (( segid " " and resid 922 and name HD3 )) (( segid " " and resid 919 and name HA )) ASSI { 77} (( segid " " and resid 1035 and name HG2 )) (( segid " " and resid 1035 and name HG3 )) 1.900 0.500 0.500 peak 77 spectrum 1 weight 0.10000E+01 volume 0.72949E-02 ppm1 1.467 ppm2 1.605 CV 1 ASSI { 1684} ( segid " " and resid 1038 and name HB% ) ( segid " " and resid 994 and name HD1%) 2.900 1.100 1.100 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.24149E-02 ppm1 1.396 ppm2 0.923 CV 1 ASSI { 2523} (( segid " " and resid 1023 and name HA )) (( segid " " and resid 1026 and name H )) 3.100 1.200 1.200 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.13838E-02 ppm1 4.121 ppm2 8.127 CV 1 ASSI { 2131} ( segid " " and resid 970 and name HG2%) (( segid " " and resid 970 and name H )) 2.100 0.600 0.600 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.92434E-02 ppm1 0.917 ppm2 8.054 CV 1 ASSI { 2093} ( segid " " and resid 932 and name HG2%) (( segid " " and resid 956 and name HB2 )) 3.100 1.200 1.200 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.14207E-02 ppm1 0.850 ppm2 3.244 CV 1 ASSI { 13} (( segid " " and resid 963 and name HG12)) (( segid " " and resid 963 and name H )) 3.800 1.800 1.800 peak 13 spectrum 1 weight 0.10000E+01 volume 0.12259E-02 ppm1 0.924 ppm2 7.921 CV 1 ASSI { 1017} (( segid " " and resid 951 and name HA )) (( segid " " and resid 954 and name HG2 )) 3.600 1.600 1.600 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.73553E-03 ppm1 4.080 ppm2 2.397 CV 1 ASSI { 902} (( segid " " and resid 1030 and name HA )) (( segid " " and resid 1033 and name HG2 )) 3.000 1.100 1.100 peak 902 spectrum 1 weight 0.10000E+01 volume 0.15081E-02 ppm1 4.148 ppm2 2.351 CV 1 OR { 902} (( segid " " and resid 1030 and name HA )) (( segid " " and resid 1033 and name HG3 )) ASSI { 100} (( segid " " and resid 1027 and name HB3 )) (( segid " " and resid 1024 and name HA )) 3.000 1.100 1.100 peak 100 spectrum 1 weight 0.10000E+01 volume 0.10815E-02 ppm1 1.358 ppm2 3.916 CV 1 ASSI { 919} (( segid " " and resid 1012 and name HG2 )) (( segid " " and resid 1012 and name H )) 3.400 1.400 1.400 peak 919 spectrum 1 weight 0.10000E+01 volume 0.13435E-02 ppm1 2.326 ppm2 8.543 CV 1 ASSI { 2169} ( segid " " and resid 933 and name HB% ) (( segid " " and resid 933 and name H )) 2.100 0.600 0.600 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.14433E-01 ppm1 1.432 ppm2 7.553 CV 1 ASSI { 1748} ( segid " " and resid 975 and name HB% ) (( segid " " and resid 976 and name HB3 )) 3.600 1.700 1.700 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.13435E-02 ppm1 1.462 ppm2 2.028 CV 1 ASSI { 2183} ( segid " " and resid 952 and name HD2%) ( segid " " and resid 1004 and name HB% ) 2.600 0.900 0.900 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.46551E-02 ppm1 0.704 ppm2 1.277 CV 1 ASSI { 295} (( segid " " and resid 930 and name HA )) ( segid " " and resid 929 and name HG2%) 3.200 1.300 1.300 peak 295 spectrum 1 weight 0.10000E+01 volume 0.13267E-02 ppm1 4.111 ppm2 1.225 CV 1 ASSI { 183} (( segid " " and resid 925 and name HA )) ( segid " " and resid 993 and name HE% ) 3.500 1.500 1.500 peak 183 spectrum 1 weight 0.10000E+01 volume 0.89008E-03 ppm1 3.721 ppm2 6.925 CV 1 ASSI { 3334} (( segid " " and resid 1027 and name HB3 )) (( segid " " and resid 931 and name HG1 )) 4.000 2.000 2.000 peak 3334 spectrum 1 weight 0.10000E+01 volume 0.72548E-03 ppm1 1.361 ppm2 3.977 CV 1 ASSI { 619} ( segid " " and resid 1027 and name HD2%) (( segid " " and resid 931 and name HG1 )) 2.900 1.100 1.100 peak 619 spectrum 1 weight 0.10000E+01 volume 0.21059E-02 ppm1 0.820 ppm2 3.970 CV 1 ASSI { 3118} (( segid " " and resid 1027 and name HB2 )) (( segid " " and resid 1028 and name H )) 4.200 2.200 1.800 peak 3118 spectrum 1 weight 0.10000E+01 volume 0.70868E-03 ppm1 1.896 ppm2 8.587 CV 1 ASSI { 2372} (( segid " " and resid 1001 and name HA )) (( segid " " and resid 1001 and name HB )) 2.900 1.100 1.100 peak 2372 spectrum 1 weight 0.10000E+01 volume 0.21966E-02 ppm1 3.280 ppm2 2.154 CV 1 ASSI { 2932} (( segid " " and resid 992 and name HB2 )) (( segid " " and resid 993 and name H )) 3.600 1.600 1.600 peak 2932 spectrum 1 weight 0.10000E+01 volume 0.14543E-02 ppm1 4.019 ppm2 7.675 CV 1 ASSI { 1668} (( segid " " and resid 1008 and name HA )) (( segid " " and resid 1017 and name HA )) 3.500 1.600 1.600 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.70868E-03 ppm1 3.635 ppm2 3.854 CV 1 ASSI { 2289} (( segid " " and resid 954 and name HA )) (( segid " " and resid 956 and name H )) 3.400 1.500 1.500 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.10681E-02 ppm1 3.967 ppm2 8.039 CV 1 ASSI { 246} ( segid " " and resid 959 and name HG2%) (( segid " " and resid 993 and name HZ )) 4.100 2.100 1.900 peak 246 spectrum 1 weight 0.10000E+01 volume 0.61798E-03 ppm1 0.753 ppm2 6.772 CV 1 ASSI { 392} (( segid " " and resid 957 and name HG3 )) ( segid " " and resid 953 and name HG1%) 3.600 1.600 1.600 peak 392 spectrum 1 weight 0.10000E+01 volume 0.79603E-03 ppm1 1.491 ppm2 0.880 CV 1 OR { 392} (( segid " " and resid 957 and name HG2 )) ( segid " " and resid 953 and name HG1%) ASSI { 1571} ( segid " " and resid 1008 and name HG2%) ( segid " " and resid 1011 and name HD1%) 3.300 1.400 1.400 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.17902E-02 ppm1 1.102 ppm2 0.607 CV 1 ASSI { 871} ( segid " " and resid 1027 and name HD1%) (( segid " " and resid 927 and name HB3 )) 2.700 0.900 0.900 peak 871 spectrum 1 weight 0.10000E+01 volume 0.28650E-02 ppm1 0.932 ppm2 3.756 CV 1 ASSI { 2714} (( segid " " and resid 925 and name HA )) ( segid " " and resid 963 and name HG2%) 3.000 1.100 1.100 peak 2714 spectrum 1 weight 0.10000E+01 volume 0.24552E-02 ppm1 3.721 ppm2 0.846 CV 1 ASSI { 3041} (( segid " " and resid 962 and name HG2 )) (( segid " " and resid 962 and name HE21)) 3.000 1.100 1.100 peak 3041 spectrum 1 weight 0.10000E+01 volume 0.23074E-02 ppm1 2.481 ppm2 7.611 CV 1 ASSI { 3283} ( segid " " and resid 952 and name HD1%) (( segid " " and resid 1007 and name HB2 )) 2.900 1.100 1.100 peak 3283 spectrum 1 weight 0.10000E+01 volume 0.17969E-02 ppm1 0.832 ppm2 3.658 CV 1 ASSI { 2126} (( segid " " and resid 991 and name HG2 )) (( segid " " and resid 991 and name HE21)) 2.600 0.900 0.900 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.31001E-02 ppm1 2.268 ppm2 7.184 CV 1 ASSI { 1235} (( segid " " and resid 952 and name HG )) ( segid " " and resid 952 and name HD2%) 2.700 0.900 0.900 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.26937E-02 ppm1 1.406 ppm2 0.703 CV 1 ASSI { 3478} (( segid " " and resid 993 and name HA )) ( segid " " and resid 993 and name HD% ) 2.600 0.900 0.900 peak 3478 spectrum 1 weight 0.10000E+01 volume 0.34494E-02 ppm1 4.048 ppm2 6.993 CV 1 ASSI { 269} (( segid " " and resid 1025 and name HA )) (( segid " " and resid 1025 and name H )) 2.500 0.800 0.800 peak 269 spectrum 1 weight 0.10000E+01 volume 0.50280E-02 ppm1 4.011 ppm2 7.950 CV 1 ASSI { 2903} (( segid " " and resid 992 and name HB2 )) (( segid " " and resid 992 and name HA )) 2.200 0.600 0.600 peak 2903 spectrum 1 weight 0.10000E+01 volume 0.10909E-01 ppm1 4.021 ppm2 4.195 CV 1 ASSI { 914} (( segid " " and resid 1000 and name HB2 )) (( segid " " and resid 1000 and name H )) 2.800 1.000 1.000 peak 914 spectrum 1 weight 0.10000E+01 volume 0.17062E-02 ppm1 1.743 ppm2 7.750 CV 1 ASSI { 1627} (( segid " " and resid 977 and name HA )) (( segid " " and resid 979 and name H )) 3.600 1.700 1.700 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.83298E-03 ppm1 4.486 ppm2 7.439 CV 1 ASSI { 2768} ( segid " " and resid 966 and name HD1%) (( segid " " and resid 993 and name HA )) 3.800 1.800 1.800 peak 2768 spectrum 1 weight 0.10000E+01 volume 0.10546E-02 ppm1 -0.046 ppm2 4.043 CV 1 ASSI { 2429} (( segid " " and resid 909 and name HB3 )) (( segid " " and resid 910 and name HD2 )) 3.700 1.700 1.700 peak 2429 spectrum 1 weight 0.10000E+01 volume 0.86652E-03 ppm1 2.494 ppm2 3.769 CV 1 ASSI { 3247} (( segid " " and resid 1018 and name HG2 )) (( segid " " and resid 1019 and name H )) 4.100 2.100 1.900 peak 3247 spectrum 1 weight 0.10000E+01 volume 0.70868E-03 ppm1 2.696 ppm2 7.926 CV 1 ASSI { 1839} (( segid " " and resid 910 and name HD2 )) (( segid " " and resid 911 and name H )) 3.400 1.500 1.500 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.80943E-03 ppm1 3.767 ppm2 8.107 CV 1 ASSI { 1722} ( segid " " and resid 1001 and name HG1%) (( segid " " and resid 1002 and name H )) 3.000 1.100 1.100 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.36879E-02 ppm1 0.887 ppm2 7.631 CV 1 ASSI { 331} ( segid " " and resid 1011 and name HD1%) ( segid " " and resid 1020 and name HD2%) 3.400 1.500 1.500 peak 331 spectrum 1 weight 0.10000E+01 volume 0.19279E-02 ppm1 0.610 ppm2 0.821 CV 1 ASSI { 1057} (( segid " " and resid 928 and name HA )) (( segid " " and resid 929 and name H )) 3.600 1.700 1.700 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.62809E-03 ppm1 4.049 ppm2 8.348 CV 1 ASSI { 1455} ( segid " " and resid 994 and name HD1%) (( segid " " and resid 1035 and name HG3 )) 2.500 0.800 0.800 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.20085E-02 ppm1 0.933 ppm2 1.606 CV 1 ASSI { 2541} ( segid " " and resid 917 and name HD1%) (( segid " " and resid 987 and name HA )) 2.800 0.900 0.900 peak 2541 spectrum 1 weight 0.10000E+01 volume 0.30295E-02 ppm1 0.700 ppm2 3.363 CV 1 ASSI { 2275} (( segid " " and resid 1035 and name HB2 )) (( segid " " and resid 1032 and name HA )) 3.600 1.600 1.600 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.78258E-03 ppm1 1.964 ppm2 4.131 CV 1 ASSI { 2877} ( segid " " and resid 1027 and name HD1%) ( segid " " and resid 928 and name HB% ) 2.500 0.800 0.800 peak 2877 spectrum 1 weight 0.10000E+01 volume 0.52228E-02 ppm1 0.932 ppm2 1.647 CV 1 ASSI { 707} (( segid " " and resid 1009 and name HD3 )) ( segid " " and resid 1008 and name HG1%) 3.300 1.400 1.400 peak 707 spectrum 1 weight 0.10000E+01 volume 0.29960E-02 ppm1 3.578 ppm2 0.896 CV 1 OR { 707} (( segid " " and resid 1009 and name HD2 )) ( segid " " and resid 1008 and name HG1%) ASSI { 29} ( segid " " and resid 970 and name HG2%) (( segid " " and resid 970 and name HB )) 2.200 0.600 0.600 peak 29 spectrum 1 weight 0.10000E+01 volume 0.82957E-02 ppm1 0.917 ppm2 2.184 CV 1 ASSI { 1574} ( segid " " and resid 966 and name HD2%) (( segid " " and resid 966 and name H )) 3.600 1.600 1.600 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.15181E-02 ppm1 0.490 ppm2 7.925 CV 1 ASSI { 1483} (( segid " " and resid 981 and name HB2 )) (( segid " " and resid 981 and name H )) 2.900 1.100 1.100 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.21025E-02 ppm1 3.775 ppm2 7.895 CV 1 OR { 1483} (( segid " " and resid 981 and name HB3 )) (( segid " " and resid 981 and name H )) ASSI { 1542} (( segid " " and resid 923 and name HA )) (( segid " " and resid 923 and name H )) 2.400 0.700 0.700 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.54881E-02 ppm1 4.061 ppm2 8.119 CV 1 ASSI { 1988} ( segid " " and resid 994 and name HD1%) (( segid " " and resid 1035 and name HD2 )) 3.600 1.600 1.600 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.93708E-03 ppm1 0.934 ppm2 3.224 CV 1 ASSI { 3178} (( segid " " and resid 931 and name HA )) (( segid " " and resid 934 and name H )) 3.200 1.300 1.300 peak 3178 spectrum 1 weight 0.10000E+01 volume 0.95388E-03 ppm1 3.807 ppm2 7.984 CV 1 ASSI { 3469} (( segid " " and resid 1012 and name HG3 )) (( segid " " and resid 1012 and name H )) 3.300 1.300 1.300 peak 3469 spectrum 1 weight 0.10000E+01 volume 0.13905E-02 ppm1 2.373 ppm2 8.544 CV 1 ASSI { 104} (( segid " " and resid 962 and name HG2 )) (( segid " " and resid 996 and name HG3 )) 4.300 2.300 1.700 peak 104 spectrum 1 weight 0.10000E+01 volume 0.77588E-03 ppm1 2.486 ppm2 1.763 CV 1 ASSI { 2147} (( segid " " and resid 1029 and name HB )) (( segid " " and resid 1029 and name H )) 2.400 0.700 0.700 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.54713E-02 ppm1 4.251 ppm2 8.078 CV 1 ASSI { 2769} (( segid " " and resid 937 and name HB3 )) ( segid " " and resid 938 and name HB% ) 3.600 1.600 1.600 peak 2769 spectrum 1 weight 0.10000E+01 volume 0.10580E-02 ppm1 3.171 ppm2 1.360 CV 1 OR { 2769} (( segid " " and resid 937 and name HB2 )) ( segid " " and resid 938 and name HB% ) ASSI { 1866} (( segid " " and resid 990 and name HA )) ( segid " " and resid 989 and name HB% ) 3.200 1.300 1.300 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.15685E-02 ppm1 3.969 ppm2 1.397 CV 1 ASSI { 2419} (( segid " " and resid 1010 and name HB )) (( segid " " and resid 1010 and name H )) 3.800 1.800 1.800 peak 2419 spectrum 1 weight 0.10000E+01 volume 0.73553E-03 ppm1 4.425 ppm2 7.718 CV 1 ASSI { 1622} ( segid " " and resid 963 and name HG2%) (( segid " " and resid 963 and name HB )) 2.100 0.500 0.500 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.10126E-01 ppm1 0.847 ppm2 1.986 CV 1 ASSI { 2114} (( segid " " and resid 936 and name HB3 )) (( segid " " and resid 936 and name H )) 3.500 1.500 1.500 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.18843E-02 ppm1 2.002 ppm2 8.463 CV 1 ASSI { 1729} ( segid " " and resid 934 and name HB% ) (( segid " " and resid 935 and name H )) 2.800 0.900 0.900 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.44503E-02 ppm1 1.518 ppm2 8.790 CV 1 ASSI { 2713} (( segid " " and resid 989 and name HA )) (( segid " " and resid 990 and name H )) 3.400 1.400 1.400 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.10781E-02 ppm1 4.188 ppm2 8.112 CV 1 ASSI { 1586} ( segid " " and resid 924 and name HB% ) (( segid " " and resid 1034 and name HB2 )) 2.800 1.000 1.000 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.17734E-02 ppm1 1.273 ppm2 2.195 CV 1 ASSI { 2571} ( segid " " and resid 987 and name HG2%) (( segid " " and resid 987 and name H )) 3.400 1.500 1.500 peak 2571 spectrum 1 weight 0.10000E+01 volume 0.29825E-02 ppm1 0.802 ppm2 8.443 CV 1 ASSI { 737} (( segid " " and resid 948 and name HG2 )) (( segid " " and resid 948 and name HB2 )) 2.400 0.700 0.700 peak 737 spectrum 1 weight 0.10000E+01 volume 0.67813E-02 ppm1 1.922 ppm2 2.160 CV 1 OR { 737} (( segid " " and resid 948 and name HG3 )) (( segid " " and resid 948 and name HB2 )) ASSI { 2016} ( segid " " and resid 928 and name HB% ) (( segid " " and resid 931 and name HB )) 3.600 1.600 1.600 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.12998E-02 ppm1 1.648 ppm2 4.232 CV 1 ASSI { 2666} (( segid " " and resid 944 and name HA )) (( segid " " and resid 945 and name H )) 3.400 1.400 1.400 peak 2666 spectrum 1 weight 0.10000E+01 volume 0.99083E-03 ppm1 4.249 ppm2 8.052 CV 1 ASSI { 1847} ( segid " " and resid 913 and name HD1%) (( segid " " and resid 913 and name HG )) 2.200 0.600 0.600 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.90850E-02 ppm1 0.865 ppm2 1.717 CV 1 ASSI { 2478} (( segid " " and resid 980 and name HA )) (( segid " " and resid 980 and name HB2 )) 2.600 0.900 0.900 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.63311E-02 ppm1 4.254 ppm2 1.944 CV 1 ASSI { 2358} (( segid " " and resid 1005 and name HA )) (( segid " " and resid 1006 and name H )) 3.200 1.200 1.200 peak 2358 spectrum 1 weight 0.10000E+01 volume 0.13704E-02 ppm1 3.777 ppm2 7.796 CV 1 ASSI { 1497} (( segid " " and resid 991 and name HG2 )) (( segid " " and resid 991 and name HB3 )) 2.400 0.700 0.700 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.43596E-02 ppm1 2.267 ppm2 2.009 CV 1 ASSI { 353} (( segid " " and resid 1007 and name HB2 )) (( segid " " and resid 1007 and name H )) 2.900 1.000 1.000 peak 353 spectrum 1 weight 0.10000E+01 volume 0.16693E-02 ppm1 3.656 ppm2 7.636 CV 1 ASSI { 2142} (( segid " " and resid 937 and name HA )) (( segid " " and resid 937 and name H )) 2.700 0.900 0.900 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.29859E-02 ppm1 4.338 ppm2 7.935 CV 1 ASSI { 1443} (( segid " " and resid 1039 and name HG3 )) (( segid " " and resid 1039 and name H )) 3.700 1.700 1.700 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.18137E-02 ppm1 2.261 ppm2 7.847 CV 1 ASSI { 711} (( segid " " and resid 908 and name HA )) (( segid " " and resid 909 and name H )) 2.100 0.600 0.600 peak 711 spectrum 1 weight 0.10000E+01 volume 0.13173E-01 ppm1 4.117 ppm2 8.347 CV 1 ASSI { 294} ( segid " " and resid 1031 and name HD2%) (( segid " " and resid 997 and name H )) 3.400 1.500 1.500 peak 294 spectrum 1 weight 0.10000E+01 volume 0.15215E-02 ppm1 0.944 ppm2 7.837 CV 1 ASSI { 1766} ( segid " " and resid 987 and name HG2%) (( segid " " and resid 1042 and name HE21)) 3.200 1.200 1.200 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.13737E-02 ppm1 0.803 ppm2 7.408 CV 1 ASSI { 1699} (( segid " " and resid 978 and name HA )) (( segid " " and resid 979 and name H )) 2.800 1.000 1.000 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.29792E-02 ppm1 4.602 ppm2 7.437 CV 1 ASSI { 2893} ( segid " " and resid 924 and name HB% ) ( segid " " and resid 966 and name HD2%) 3.700 1.700 1.700 peak 2893 spectrum 1 weight 0.10000E+01 volume 0.83968E-03 ppm1 1.271 ppm2 0.489 CV 1 ASSI { 3016} (( segid " " and resid 990 and name HA )) ( segid " " and resid 993 and name HD% ) 4.000 2.000 2.000 peak 3016 spectrum 1 weight 0.10000E+01 volume 0.61798E-03 ppm1 3.969 ppm2 6.995 CV 1 ASSI { 1391} ( segid " " and resid 1020 and name HD2%) (( segid " " and resid 1020 and name H )) 3.600 1.600 1.600 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.22100E-02 ppm1 0.815 ppm2 7.958 CV 1 ASSI { 1913} ( segid " " and resid 1020 and name HD1%) (( segid " " and resid 1020 and name HB2 )) 2.800 0.900 0.900 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.29086E-02 ppm1 0.755 ppm2 1.222 CV 1 ASSI { 745} (( segid " " and resid 1042 and name HG3 )) (( segid " " and resid 1042 and name H )) 3.800 1.800 1.800 peak 745 spectrum 1 weight 0.10000E+01 volume 0.16559E-02 ppm1 2.341 ppm2 7.735 CV 1 ASSI { 941} (( segid " " and resid 977 and name HA )) (( segid " " and resid 978 and name H )) 2.700 0.900 0.900 peak 941 spectrum 1 weight 0.10000E+01 volume 0.36173E-02 ppm1 4.484 ppm2 8.369 CV 1 ASSI { 1708} (( segid " " and resid 1013 and name HA )) (( segid " " and resid 1014 and name H )) 2.400 0.700 0.700 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.53370E-02 ppm1 4.625 ppm2 8.897 CV 1 ASSI { 698} ( segid " " and resid 932 and name HG2%) (( segid " " and resid 933 and name HA )) 3.000 1.100 1.100 peak 698 spectrum 1 weight 0.10000E+01 volume 0.20589E-02 ppm1 0.849 ppm2 4.117 CV 1 ASSI { 1108} ( segid " " and resid 1003 and name HB% ) (( segid " " and resid 955 and name HB3 )) 3.000 1.100 1.100 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.24787E-02 ppm1 1.331 ppm2 3.789 CV 1 OR { 1108} ( segid " " and resid 1003 and name HB% ) (( segid " " and resid 955 and name HB2 )) ASSI { 556} ( segid " " and resid 970 and name HG1%) (( segid " " and resid 971 and name H )) 3.100 1.200 1.200 peak 556 spectrum 1 weight 0.10000E+01 volume 0.27037E-02 ppm1 0.726 ppm2 8.296 CV 1 ASSI { 2066} (( segid " " and resid 1029 and name HB )) ( segid " " and resid 1030 and name HB% ) 3.900 1.900 1.900 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.80943E-03 ppm1 4.243 ppm2 1.504 CV 1 ASSI { 1602} (( segid " " and resid 956 and name HA )) (( segid " " and resid 956 and name HB2 )) 2.900 1.100 1.100 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.17969E-02 ppm1 4.232 ppm2 3.235 CV 1 ASSI { 229} ( segid " " and resid 1020 and name HD1%) ( segid " " and resid 1020 and name HD2%) 2.200 0.600 0.600 peak 229 spectrum 1 weight 0.10000E+01 volume 0.12253E-01 ppm1 0.755 ppm2 0.818 CV 1 ASSI { 24} ( segid " " and resid 965 and name HD1%) (( segid " " and resid 966 and name H )) 3.900 1.900 1.900 peak 24 spectrum 1 weight 0.10000E+01 volume 0.13737E-02 ppm1 0.937 ppm2 7.927 CV 1 ASSI { 1220} (( segid " " and resid 986 and name HA )) (( segid " " and resid 973 and name HB2 )) 4.000 2.000 2.000 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.60118E-03 ppm1 4.041 ppm2 3.583 CV 1 ASSI { 3001} ( segid " " and resid 982 and name HB% ) (( segid " " and resid 976 and name HB2 )) 2.500 0.800 0.800 peak 3001 spectrum 1 weight 0.10000E+01 volume 0.33856E-02 ppm1 1.455 ppm2 1.959 CV 1 ASSI { 804} (( segid " " and resid 1026 and name HB3 )) (( segid " " and resid 1026 and name HD22)) 4.300 2.300 1.700 peak 804 spectrum 1 weight 0.10000E+01 volume 0.75233E-03 ppm1 2.853 ppm2 6.943 CV 1 ASSI { 607} (( segid " " and resid 987 and name HA )) (( segid " " and resid 987 and name HG12)) 2.700 0.900 0.900 peak 607 spectrum 1 weight 0.10000E+01 volume 0.23947E-02 ppm1 3.361 ppm2 1.723 CV 1 ASSI { 2625} (( segid " " and resid 969 and name HA3 )) ( segid " " and resid 986 and name HD2%) 3.300 1.300 1.300 peak 2625 spectrum 1 weight 0.10000E+01 volume 0.10882E-02 ppm1 3.321 ppm2 0.671 CV 1 ASSI { 821} ( segid " " and resid 959 and name HG2%) (( segid " " and resid 956 and name HA )) 2.900 1.000 1.000 peak 821 spectrum 1 weight 0.10000E+01 volume 0.29221E-02 ppm1 0.751 ppm2 4.222 CV 1 ASSI { 2369} ( segid " " and resid 931 and name HG2%) ( segid " " and resid 1000 and name HE% ) 2.400 0.700 0.700 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.64321E-02 ppm1 0.960 ppm2 1.974 CV 1 ASSI { 525} (( segid " " and resid 967 and name HA )) (( segid " " and resid 964 and name HA )) 4.400 2.400 1.600 peak 525 spectrum 1 weight 0.10000E+01 volume 0.54747E-03 ppm1 3.278 ppm2 4.237 CV 1 ASSI { 1097} (( segid " " and resid 1015 and name HA )) (( segid " " and resid 1016 and name H )) 3.100 1.200 1.200 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.21327E-02 ppm1 4.125 ppm2 7.955 CV 1 ASSI { 963} (( segid " " and resid 1014 and name HA )) ( segid " " and resid 1017 and name HB% ) 2.300 0.700 0.700 peak 963 spectrum 1 weight 0.10000E+01 volume 0.81349E-02 ppm1 3.959 ppm2 1.492 CV 1 ASSI { 3280} ( segid " " and resid 970 and name HG1%) (( segid " " and resid 922 and name HG2 )) 2.600 0.800 0.800 peak 3280 spectrum 1 weight 0.10000E+01 volume 0.29254E-02 ppm1 0.727 ppm2 1.316 CV 1 ASSI { 2359} ( segid " " and resid 1010 and name HG2%) (( segid " " and resid 1009 and name HG2 )) 2.400 0.700 0.700 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.46081E-02 ppm1 1.179 ppm2 1.922 CV 1 ASSI { 3522} ( segid " " and resid 1000 and name HE% ) ( segid " " and resid 1001 and name HG2%) 3.800 1.800 1.800 peak 3522 spectrum 1 weight 0.10000E+01 volume 0.15988E-02 ppm1 1.975 ppm2 1.025 CV 1 ASSI { 2354} (( segid " " and resid 970 and name HA )) (( segid " " and resid 973 and name H )) 3.300 1.300 1.300 peak 2354 spectrum 1 weight 0.10000E+01 volume 0.97403E-03 ppm1 3.438 ppm2 7.293 CV 1 ASSI { 3077} (( segid " " and resid 968 and name HB3 )) (( segid " " and resid 969 and name H )) 2.800 1.000 1.000 peak 3077 spectrum 1 weight 0.10000E+01 volume 0.17969E-02 ppm1 2.015 ppm2 7.983 CV 1 ASSI { 3350} (( segid " " and resid 966 and name HB2 )) (( segid " " and resid 966 and name HG )) 2.700 0.900 0.900 peak 3350 spectrum 1 weight 0.10000E+01 volume 0.20320E-02 ppm1 1.328 ppm2 1.104 CV 1 ASSI { 1297} (( segid " " and resid 993 and name HA )) (( segid " " and resid 994 and name H )) 3.300 1.400 1.400 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.10748E-02 ppm1 4.049 ppm2 7.248 CV 1 ASSI { 81} (( segid " " and resid 1022 and name HB2 )) (( segid " " and resid 1022 and name H )) 2.400 0.700 0.700 peak 81 spectrum 1 weight 0.10000E+01 volume 0.58239E-02 ppm1 2.106 ppm2 8.385 CV 1 ASSI { 1340} (( segid " " and resid 970 and name HA )) (( segid " " and resid 973 and name HB3 )) 3.100 1.200 1.200 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.11688E-02 ppm1 3.438 ppm2 3.943 CV 1 ASSI { 2351} (( segid " " and resid 964 and name HA )) (( segid " " and resid 967 and name HB )) 2.300 0.600 0.600 peak 2351 spectrum 1 weight 0.10000E+01 volume 0.75741E-02 ppm1 4.242 ppm2 1.935 CV 1 ASSI { 2135} (( segid " " and resid 923 and name HG3 )) (( segid " " and resid 923 and name HE21)) 2.900 1.000 1.000 peak 2135 spectrum 1 weight 0.10000E+01 volume 0.17600E-02 ppm1 2.132 ppm2 7.438 CV 1 ASSI { 115} (( segid " " and resid 1013 and name HA )) (( segid " " and resid 1013 and name HB3 )) 2.700 0.900 0.900 peak 115 spectrum 1 weight 0.10000E+01 volume 0.33990E-02 ppm1 4.623 ppm2 2.618 CV 1 OR { 115} (( segid " " and resid 1013 and name HA )) (( segid " " and resid 1013 and name HB2 )) ASSI { 2537} ( segid " " and resid 914 and name HG2%) (( segid " " and resid 983 and name HE22)) 3.600 1.600 1.600 peak 2537 spectrum 1 weight 0.10000E+01 volume 0.93708E-03 ppm1 0.797 ppm2 6.691 CV 1 ASSI { 566} (( segid " " and resid 918 and name HA )) (( segid " " and resid 919 and name H )) 3.400 1.400 1.400 peak 566 spectrum 1 weight 0.10000E+01 volume 0.11655E-02 ppm1 3.646 ppm2 8.056 CV 1 ASSI { 579} ( segid " " and resid 959 and name HG2%) ( segid " " and resid 959 and name HG1%) 2.200 0.600 0.600 peak 579 spectrum 1 weight 0.10000E+01 volume 0.92871E-02 ppm1 0.750 ppm2 0.848 CV 1 ASSI { 2631} ( segid " " and resid 924 and name HB% ) (( segid " " and resid 927 and name H )) 4.000 2.000 2.000 peak 2631 spectrum 1 weight 0.10000E+01 volume 0.72213E-03 ppm1 1.273 ppm2 8.507 CV 1 ASSI { 314} (( segid " " and resid 995 and name HA )) (( segid " " and resid 998 and name H )) 3.100 1.200 1.200 peak 314 spectrum 1 weight 0.10000E+01 volume 0.13771E-02 ppm1 4.302 ppm2 8.269 CV 1 ASSI { 2451} (( segid " " and resid 952 and name HB3 )) (( segid " " and resid 952 and name H )) 3.600 1.700 1.700 peak 2451 spectrum 1 weight 0.10000E+01 volume 0.10815E-02 ppm1 1.409 ppm2 8.010 CV 1 ASSI { 1946} (( segid " " and resid 1023 and name HA )) (( segid " " and resid 1023 and name HB3 )) 2.700 0.900 0.900 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.21563E-02 ppm1 4.119 ppm2 2.797 CV 1 ASSI { 1636} (( segid " " and resid 979 and name HA )) (( segid " " and resid 979 and name HB3 )) 2.900 1.000 1.000 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.26500E-02 ppm1 4.928 ppm2 3.854 CV 1 ASSI { 1487} (( segid " " and resid 1014 and name HG3 )) (( segid " " and resid 1014 and name H )) 3.300 1.400 1.400 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.12797E-02 ppm1 2.435 ppm2 8.898 CV 1 ASSI { 817} (( segid " " and resid 1034 and name HB2 )) (( segid " " and resid 1031 and name HA )) 3.600 1.600 1.600 peak 817 spectrum 1 weight 0.10000E+01 volume 0.10949E-02 ppm1 2.196 ppm2 4.040 CV 1 ASSI { 536} (( segid " " and resid 962 and name HG2 )) ( segid " " and resid 993 and name HD% ) 4.900 3.000 1.100 peak 536 spectrum 1 weight 0.10000E+01 volume 0.75908E-03 ppm1 2.482 ppm2 6.992 CV 1 ASSI { 362} ( segid " " and resid 1027 and name HD1%) (( segid " " and resid 1027 and name HA )) 2.200 0.600 0.600 peak 362 spectrum 1 weight 0.10000E+01 volume 0.67944E-02 ppm1 0.932 ppm2 4.326 CV 1 ASSI { 3009} (( segid " " and resid 992 and name HB3 )) (( segid " " and resid 992 and name H )) 2.400 0.700 0.700 peak 3009 spectrum 1 weight 0.10000E+01 volume 0.52530E-02 ppm1 3.968 ppm2 8.325 CV 1 ASSI { 3097} (( segid " " and resid 963 and name HB )) (( segid " " and resid 962 and name H )) 4.900 3.000 1.100 peak 3097 spectrum 1 weight 0.10000E+01 volume 0.42319E-03 ppm1 1.990 ppm2 7.470 CV 1 ASSI { 1000} (( segid " " and resid 1041 and name HA )) (( segid " " and resid 913 and name HB2 )) 3.400 1.400 1.400 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.13368E-02 ppm1 4.037 ppm2 1.900 CV 1 ASSI { 1781} (( segid " " and resid 960 and name HA )) (( segid " " and resid 963 and name HB )) 2.900 1.100 1.100 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.19346E-02 ppm1 3.925 ppm2 1.984 CV 1 ASSI { 1691} (( segid " " and resid 967 and name HA )) (( segid " " and resid 967 and name H )) 2.500 0.800 0.800 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.37080E-02 ppm1 3.276 ppm2 8.214 CV 1 ASSI { 496} (( segid " " and resid 996 and name HD2 )) (( segid " " and resid 996 and name HB2 )) 3.800 1.800 1.800 peak 496 spectrum 1 weight 0.10000E+01 volume 0.77923E-03 ppm1 4.058 ppm2 2.009 CV 1 ASSI { 2193} ( segid " " and resid 966 and name HD2%) (( segid " " and resid 966 and name HB3 )) 2.600 0.800 0.800 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.31001E-02 ppm1 0.490 ppm2 1.587 CV 1 ASSI { 3089} ( segid " " and resid 917 and name HD1%) (( segid " " and resid 990 and name HB2 )) 3.500 1.600 1.600 peak 3089 spectrum 1 weight 0.10000E+01 volume 0.78928E-03 ppm1 0.698 ppm2 4.128 CV 1 ASSI { 2612} ( segid " " and resid 1027 and name HD2%) (( segid " " and resid 928 and name HA )) 2.500 0.800 0.800 peak 2612 spectrum 1 weight 0.10000E+01 volume 0.43562E-02 ppm1 0.821 ppm2 4.046 CV 1 ASSI { 3506} (( segid " " and resid 987 and name HA )) (( segid " " and resid 1038 and name HA )) 3.300 1.400 1.400 peak 3506 spectrum 1 weight 0.10000E+01 volume 0.12864E-02 ppm1 3.362 ppm2 3.974 CV 1 ASSI { 1186} ( segid " " and resid 1030 and name HB% ) (( segid " " and resid 924 and name H )) 3.800 1.800 1.800 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.11050E-02 ppm1 1.507 ppm2 8.221 CV 1 ASSI { 1757} ( segid " " and resid 984 and name HD1%) (( segid " " and resid 987 and name H )) 4.000 2.000 2.000 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.82623E-03 ppm1 0.844 ppm2 8.443 CV 1 ASSI { 219} (( segid " " and resid 930 and name HG3 )) (( segid " " and resid 930 and name HE21)) 3.300 1.300 1.300 peak 219 spectrum 1 weight 0.10000E+01 volume 0.94042E-03 ppm1 2.447 ppm2 7.324 CV 1 ASSI { 3229} ( segid " " and resid 908 and name HG2%) (( segid " " and resid 908 and name HA )) 2.500 0.800 0.800 peak 3229 spectrum 1 weight 0.10000E+01 volume 0.62773E-02 ppm1 0.799 ppm2 4.122 CV 1 ASSI { 1467} ( segid " " and resid 1011 and name HG2%) (( segid " " and resid 1017 and name H )) 2.700 0.900 0.900 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.32546E-02 ppm1 0.949 ppm2 8.472 CV 1 ASSI { 1078} (( segid " " and resid 998 and name HA2 )) (( segid " " and resid 998 and name HA3 )) 1.900 0.500 0.500 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.91657E-02 ppm1 3.929 ppm2 3.648 CV 1 ASSI { 3454} (( segid " " and resid 940 and name HB2 )) (( segid " " and resid 941 and name H )) 3.700 1.700 1.700 peak 3454 spectrum 1 weight 0.10000E+01 volume 0.70198E-03 ppm1 3.866 ppm2 7.740 CV 1 OR { 3454} (( segid " " and resid 940 and name HB3 )) (( segid " " and resid 941 and name H )) ASSI { 1533} ( segid " " and resid 1031 and name HD2%) (( segid " " and resid 997 and name HA2 )) 3.300 1.400 1.400 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.23611E-02 ppm1 0.943 ppm2 3.256 CV 1 ASSI { 2092} (( segid " " and resid 1009 and name HD3 )) (( segid " " and resid 1008 and name HB )) 2.100 0.600 0.600 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.71071E-02 ppm1 3.573 ppm2 2.262 CV 1 OR { 2092} (( segid " " and resid 1009 and name HD2 )) (( segid " " and resid 1008 and name HB )) ASSI { 2145} (( segid " " and resid 1001 and name HB )) (( segid " " and resid 998 and name HA2 )) 3.100 1.200 1.200 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.96392E-03 ppm1 2.159 ppm2 3.929 CV 1 ASSI { 2654} ( segid " " and resid 967 and name HG1%) (( segid " " and resid 967 and name HA )) 2.300 0.700 0.700 peak 2654 spectrum 1 weight 0.10000E+01 volume 0.73086E-02 ppm1 0.793 ppm2 3.276 CV 1 ASSI { 442} ( segid " " and resid 1020 and name HD1%) (( segid " " and resid 1020 and name H )) 3.900 1.900 1.900 peak 442 spectrum 1 weight 0.10000E+01 volume 0.12595E-02 ppm1 0.754 ppm2 7.959 CV 1 ASSI { 2980} ( segid " " and resid 1031 and name HD2%) (( segid " " and resid 1031 and name HG )) 2.100 0.600 0.600 peak 2980 spectrum 1 weight 0.10000E+01 volume 0.11503E-01 ppm1 0.942 ppm2 2.017 CV 1 OR { 2980} ( segid " " and resid 1031 and name HD2%) (( segid " " and resid 1031 and name HB2 )) ASSI { 1520} ( segid " " and resid 913 and name HD2%) (( segid " " and resid 1040 and name HB3 )) 2.500 0.800 0.800 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.36610E-02 ppm1 0.784 ppm2 1.828 CV 1 ASSI { 487} (( segid " " and resid 910 and name HG3 )) (( segid " " and resid 910 and name HG2 )) 1.800 0.400 0.400 peak 487 spectrum 1 weight 0.10000E+01 volume 0.13704E-01 ppm1 1.713 ppm2 1.847 CV 1 ASSI { 1300} ( segid " " and resid 912 and name HG2%) (( segid " " and resid 915 and name HB3 )) 3.600 1.600 1.600 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.15316E-02 ppm1 1.228 ppm2 1.722 CV 1 ASSI { 2796} ( segid " " and resid 966 and name HD2%) (( segid " " and resid 965 and name H )) 3.400 3.400 2.600 peak 2796 spectrum 1 weight 0.10000E+01 volume 0.37953E-03 ppm1 0.492 ppm2 6.850 CV 1 ASSI { 2018} (( segid " " and resid 935 and name HA )) (( segid " " and resid 936 and name H )) 3.400 1.400 1.400 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.87328E-03 ppm1 3.895 ppm2 8.461 CV 1 ASSI { 196} (( segid " " and resid 1009 and name HA )) (( segid " " and resid 1009 and name HB3 )) 2.200 0.600 0.600 peak 196 spectrum 1 weight 0.10000E+01 volume 0.88500E-02 ppm1 4.449 ppm2 2.353 CV 1 ASSI { 3159} (( segid " " and resid 1012 and name HB3 )) (( segid " " and resid 1013 and name H )) 3.300 1.400 1.400 peak 3159 spectrum 1 weight 0.10000E+01 volume 0.10311E-02 ppm1 2.087 ppm2 7.549 CV 1 ASSI { 52} ( segid " " and resid 1029 and name HG2%) (( segid " " and resid 1029 and name HA )) 2.300 0.600 0.600 peak 52 spectrum 1 weight 0.10000E+01 volume 0.94850E-02 ppm1 1.237 ppm2 4.025 CV 1 ASSI { 3066} (( segid " " and resid 932 and name HB )) (( segid " " and resid 933 and name HA )) 3.900 1.900 1.900 peak 3066 spectrum 1 weight 0.10000E+01 volume 0.56426E-03 ppm1 1.834 ppm2 4.119 CV 1 ASSI { 2960} ( segid " " and resid 1038 and name HB% ) (( segid " " and resid 1038 and name H )) 2.100 0.600 0.600 peak 2960 spectrum 1 weight 0.10000E+01 volume 0.11433E-01 ppm1 1.396 ppm2 8.724 CV 1 ASSI { 1414} ( segid " " and resid 1036 and name HG2%) (( segid " " and resid 1040 and name HD3 )) 2.800 1.000 1.000 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.64082E-02 ppm1 1.197 ppm2 1.568 CV 1 OR { 1414} ( segid " " and resid 1036 and name HG2%) (( segid " " and resid 1040 and name HD2 )) OR { 1414} ( segid " " and resid 1036 and name HG2%) (( segid " " and resid 1040 and name HG2 )) ASSI { 215} (( segid " " and resid 1039 and name HG2 )) (( segid " " and resid 1039 and name HG3 )) 2.000 0.500 0.500 peak 215 spectrum 1 weight 0.10000E+01 volume 0.73893E-02 ppm1 2.444 ppm2 2.261 CV 1 ASSI { 1476} ( segid " " and resid 1008 and name HG2%) (( segid " " and resid 1008 and name H )) 2.100 0.600 0.600 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.89576E-02 ppm1 1.103 ppm2 7.531 CV 1 ASSI { 2448} (( segid " " and resid 983 and name HG2 )) (( segid " " and resid 983 and name HE21)) 2.600 0.800 0.800 peak 2448 spectrum 1 weight 0.10000E+01 volume 0.24518E-02 ppm1 2.704 ppm2 7.466 CV 1 ASSI { 108} ( segid " " and resid 963 and name HD1%) ( segid " " and resid 928 and name HB% ) 2.300 0.700 0.700 peak 108 spectrum 1 weight 0.10000E+01 volume 0.67376E-02 ppm1 0.935 ppm2 1.647 CV 1 ASSI { 3221} (( segid " " and resid 959 and name HA )) (( segid " " and resid 959 and name H )) 2.700 0.900 0.900 peak 3221 spectrum 1 weight 0.10000E+01 volume 0.25761E-02 ppm1 3.391 ppm2 7.551 CV 1 ASSI { 3018} (( segid " " and resid 1040 and name HD2 )) (( segid " " and resid 1040 and name HA )) 3.100 1.200 1.200 peak 3018 spectrum 1 weight 0.10000E+01 volume 0.43596E-02 ppm1 1.572 ppm2 3.970 CV 1 OR { 3018} (( segid " " and resid 1040 and name HD3 )) (( segid " " and resid 1040 and name HA )) ASSI { 1401} (( segid " " and resid 953 and name HA )) (( segid " " and resid 956 and name HA )) 4.300 2.300 1.700 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.58105E-03 ppm1 3.548 ppm2 4.234 CV 1 ASSI { 913} (( segid " " and resid 1035 and name HA )) (( segid " " and resid 1035 and name HG2 )) 3.000 1.100 1.100 peak 913 spectrum 1 weight 0.10000E+01 volume 0.24384E-02 ppm1 3.805 ppm2 1.467 CV 1 ASSI { 754} ( segid " " and resid 1030 and name HB% ) (( segid " " and resid 923 and name HG3 )) 2.800 1.000 1.000 peak 754 spectrum 1 weight 0.10000E+01 volume 0.17029E-02 ppm1 1.507 ppm2 2.130 CV 1 ASSI { 1980} (( segid " " and resid 993 and name HB2 )) ( segid " " and resid 966 and name HD2%) 3.400 1.400 1.400 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.76578E-03 ppm1 3.382 ppm2 0.487 CV 1 ASSI { 864} (( segid " " and resid 979 and name HA )) (( segid " " and resid 980 and name HG2 )) 4.600 2.700 1.400 peak 864 spectrum 1 weight 0.10000E+01 volume 0.91023E-03 ppm1 4.929 ppm2 2.003 CV 1 ASSI { 2202} ( segid " " and resid 1001 and name HG2%) (( segid " " and resid 1028 and name H )) 2.900 1.100 1.100 peak 2202 spectrum 1 weight 0.10000E+01 volume 0.29892E-02 ppm1 1.022 ppm2 8.587 CV 1 ASSI { 1116} ( segid " " and resid 1011 and name HG2%) (( segid " " and resid 1013 and name H )) 2.200 0.600 0.600 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.73959E-02 ppm1 0.950 ppm2 7.547 CV 1 ASSI { 1590} (( segid " " and resid 945 and name HA )) (( segid " " and resid 945 and name H )) 3.100 1.200 1.200 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.15484E-02 ppm1 4.338 ppm2 8.054 CV 1 ASSI { 2704} ( segid " " and resid 1008 and name HG1%) (( segid " " and resid 1011 and name H )) 3.800 1.800 1.800 peak 2704 spectrum 1 weight 0.10000E+01 volume 0.70198E-03 ppm1 0.898 ppm2 7.304 CV 1 ASSI { 740} (( segid " " and resid 962 and name HG2 )) (( segid " " and resid 993 and name HA )) 4.300 2.300 1.700 peak 740 spectrum 1 weight 0.10000E+01 volume 0.10647E-02 ppm1 2.480 ppm2 4.053 CV 1 ASSI { 638} ( segid " " and resid 921 and name HB% ) (( segid " " and resid 990 and name HA )) 3.700 1.700 1.700 peak 638 spectrum 1 weight 0.10000E+01 volume 0.96733E-03 ppm1 1.171 ppm2 3.966 CV 1 ASSI { 2350} (( segid " " and resid 1040 and name HD2 )) (( segid " " and resid 1040 and name HE3 )) 2.600 0.900 0.900 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.32479E-02 ppm1 1.572 ppm2 2.884 CV 1 OR { 2350} (( segid " " and resid 1040 and name HD3 )) (( segid " " and resid 1040 and name HE3 )) ASSI { 2634} ( segid " " and resid 1011 and name HD1%) (( segid " " and resid 1020 and name HB3 )) 3.500 1.500 1.500 peak 2634 spectrum 1 weight 0.10000E+01 volume 0.11856E-02 ppm1 0.610 ppm2 1.928 CV 1 ASSI { 1802} ( segid " " and resid 1041 and name HB% ) (( segid " " and resid 1041 and name H )) 2.100 0.600 0.600 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.11399E-01 ppm1 1.308 ppm2 7.620 CV 1 ASSI { 2855} ( segid " " and resid 913 and name HD2%) (( segid " " and resid 912 and name HA )) 2.800 2.800 3.200 peak 2855 spectrum 1 weight 0.10000E+01 volume 0.11554E-02 ppm1 0.783 ppm2 4.200 CV 1 ASSI { 2872} ( segid " " and resid 1011 and name HD1%) (( segid " " and resid 939 and name HA )) 3.200 1.300 1.300 peak 2872 spectrum 1 weight 0.10000E+01 volume 0.58777E-03 ppm1 0.607 ppm2 4.172 CV 1 ASSI { 357} ( segid " " and resid 1027 and name HD1%) (( segid " " and resid 1027 and name H )) 3.900 1.900 1.900 peak 357 spectrum 1 weight 0.10000E+01 volume 0.14778E-02 ppm1 0.931 ppm2 8.796 CV 1 ASSI { 1129} ( segid " " and resid 1001 and name HG2%) (( segid " " and resid 1028 and name HA3 )) 3.500 1.500 1.500 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.25291E-02 ppm1 1.022 ppm2 4.080 CV 1 ASSI { 351} (( segid " " and resid 1036 and name HB )) (( segid " " and resid 1037 and name H )) 2.600 0.800 0.800 peak 351 spectrum 1 weight 0.10000E+01 volume 0.34931E-02 ppm1 4.093 ppm2 8.540 CV 1 ASSI { 1987} (( segid " " and resid 910 and name HD2 )) (( segid " " and resid 910 and name HG3 )) 3.000 1.100 1.100 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.31975E-02 ppm1 3.768 ppm2 1.709 CV 1 OR { 1987} (( segid " " and resid 910 and name HD2 )) (( segid " " and resid 910 and name HB3 )) ASSI { 1523} (( segid " " and resid 966 and name HB2 )) (( segid " " and resid 966 and name HA )) 2.800 1.000 1.000 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.24955E-02 ppm1 1.328 ppm2 3.889 CV 1 ASSI { 2491} ( segid " " and resid 1000 and name HE% ) (( segid " " and resid 928 and name HA )) 2.400 0.700 0.700 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.60052E-02 ppm1 1.974 ppm2 4.047 CV 1 ASSI { 1145} (( segid " " and resid 1040 and name HA )) (( segid " " and resid 1041 and name H )) 3.200 1.300 1.300 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.15685E-02 ppm1 3.971 ppm2 7.620 CV 1 ASSI { 1704} ( segid " " and resid 1041 and name HB% ) (( segid " " and resid 1042 and name HG2 )) 4.300 2.300 1.700 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.78258E-03 ppm1 1.308 ppm2 2.423 CV 1 ASSI { 1198} (( segid " " and resid 932 and name HB )) ( segid " " and resid 932 and name HD1%) 2.600 0.800 0.800 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.37953E-02 ppm1 1.857 ppm2 0.815 CV 1 ASSI { 908} ( segid " " and resid 975 and name HB% ) (( segid " " and resid 976 and name HA )) 4.000 2.000 2.000 peak 908 spectrum 1 weight 0.10000E+01 volume 0.57769E-03 ppm1 1.458 ppm2 4.793 CV 1 ASSI { 452} ( segid " " and resid 967 and name HG1%) (( segid " " and resid 971 and name H )) 3.400 1.500 1.500 peak 452 spectrum 1 weight 0.10000E+01 volume 0.11487E-02 ppm1 0.791 ppm2 8.296 CV 1 ASSI { 2404} (( segid " " and resid 965 and name HB3 )) (( segid " " and resid 965 and name HG )) 3.000 1.100 1.100 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.28213E-02 ppm1 2.065 ppm2 1.725 CV 1 ASSI { 2825} (( segid " " and resid 984 and name HG )) (( segid " " and resid 985 and name H )) 4.000 2.000 2.000 peak 2825 spectrum 1 weight 0.10000E+01 volume 0.76913E-03 ppm1 1.736 ppm2 7.883 CV 1 ASSI { 26} (( segid " " and resid 969 and name HA3 )) (( segid " " and resid 969 and name HA2 )) 2.000 0.500 0.500 peak 26 spectrum 1 weight 0.10000E+01 volume 0.84877E-02 ppm1 3.324 ppm2 3.804 CV 1 ASSI { 1066} (( segid " " and resid 1029 and name HB )) (( segid " " and resid 1026 and name HA )) 2.900 1.000 1.000 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.22671E-02 ppm1 4.251 ppm2 4.416 CV 1 ASSI { 1737} ( segid " " and resid 1031 and name HD2%) ( segid " " and resid 993 and name HE% ) 2.300 0.700 0.700 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.54780E-02 ppm1 0.943 ppm2 6.923 CV 1 ASSI { 545} (( segid " " and resid 965 and name HG )) (( segid " " and resid 965 and name H )) 2.600 0.900 0.900 peak 545 spectrum 1 weight 0.10000E+01 volume 0.35434E-02 ppm1 1.725 ppm2 6.859 CV 1 ASSI { 3423} (( segid " " and resid 909 and name HB2 )) (( segid " " and resid 910 and name HD3 )) 4.200 2.200 1.800 peak 3423 spectrum 1 weight 0.10000E+01 volume 0.10345E-02 ppm1 2.681 ppm2 3.686 CV 1 ASSI { 2740} ( segid " " and resid 926 and name HB% ) (( segid " " and resid 923 and name HA )) 1.900 0.400 0.400 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.26114E-01 ppm1 1.418 ppm2 4.071 CV 1 ASSI { 3076} (( segid " " and resid 979 and name HB2 )) (( segid " " and resid 976 and name HB2 )) 3.900 1.900 1.900 peak 3076 spectrum 1 weight 0.10000E+01 volume 0.89008E-03 ppm1 4.085 ppm2 1.963 CV 1 ASSI { 1664} ( segid " " and resid 1008 and name HG1%) (( segid " " and resid 1009 and name HA )) 2.800 1.000 1.000 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.29053E-02 ppm1 0.897 ppm2 4.449 CV 1 ASSI { 1783} (( segid " " and resid 971 and name HG3 )) (( segid " " and resid 971 and name HD3 )) 2.400 0.700 0.700 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.52026E-02 ppm1 1.548 ppm2 3.076 CV 1 OR { 1783} (( segid " " and resid 971 and name HG3 )) (( segid " " and resid 971 and name HD2 )) ASSI { 971} (( segid " " and resid 918 and name HG2 )) (( segid " " and resid 918 and name HB2 )) 3.700 1.700 1.700 peak 971 spectrum 1 weight 0.10000E+01 volume 0.83633E-03 ppm1 1.936 ppm2 2.338 CV 1 ASSI { 3375} ( segid " " and resid 1032 and name HB% ) (( segid " " and resid 1032 and name H )) 2.000 0.500 0.500 peak 3375 spectrum 1 weight 0.10000E+01 volume 0.15725E-01 ppm1 1.551 ppm2 7.713 CV 1 ASSI { 689} ( segid " " and resid 1011 and name HD1%) (( segid " " and resid 1020 and name H )) 3.900 1.900 1.900 peak 689 spectrum 1 weight 0.10000E+01 volume 0.59785E-03 ppm1 0.613 ppm2 7.956 CV 1 ASSI { 1082} ( segid " " and resid 963 and name HG2%) (( segid " " and resid 963 and name H )) 3.300 1.300 1.300 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.33789E-02 ppm1 0.847 ppm2 7.921 CV 1 ASSI { 3098} (( segid " " and resid 911 and name HB3 )) ( segid " " and resid 911 and name HD% ) 3.100 1.200 1.200 peak 3098 spectrum 1 weight 0.10000E+01 volume 0.15719E-02 ppm1 2.981 ppm2 7.172 CV 1 ASSI { 293} ( segid " " and resid 933 and name HB% ) (( segid " " and resid 937 and name HB2 )) 3.700 1.700 1.700 peak 293 spectrum 1 weight 0.10000E+01 volume 0.73218E-03 ppm1 1.433 ppm2 3.175 CV 1 OR { 293} ( segid " " and resid 933 and name HB% ) (( segid " " and resid 937 and name HB3 )) ASSI { 1188} (( segid " " and resid 920 and name HA )) (( segid " " and resid 920 and name H )) 2.600 0.800 0.800 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.37180E-02 ppm1 4.021 ppm2 8.370 CV 1 ASSI { 1255} ( segid " " and resid 970 and name HG1%) (( segid " " and resid 918 and name H )) 4.200 2.200 1.800 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.69188E-03 ppm1 0.728 ppm2 8.749 CV 1 ASSI { 1194} (( segid " " and resid 964 and name HD3 )) ( segid " " and resid 963 and name HD1%) 3.800 1.900 1.900 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.13267E-02 ppm1 3.658 ppm2 0.936 CV 1 ASSI { 1140} (( segid " " and resid 1014 and name HB3 )) (( segid " " and resid 1015 and name H )) 2.800 1.000 1.000 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.33990E-02 ppm1 2.064 ppm2 8.426 CV 1 OR { 1140} (( segid " " and resid 1014 and name HB2 )) (( segid " " and resid 1015 and name H )) ASSI { 904} ( segid " " and resid 1032 and name HB% ) (( segid " " and resid 1035 and name H )) 4.100 2.100 1.900 peak 904 spectrum 1 weight 0.10000E+01 volume 0.66169E-03 ppm1 1.550 ppm2 8.526 CV 1 ASSI { 587} (( segid " " and resid 1011 and name HG13)) (( segid " " and resid 1008 and name HA )) 3.400 1.400 1.400 peak 587 spectrum 1 weight 0.10000E+01 volume 0.64154E-03 ppm1 1.490 ppm2 3.636 CV 1 ASSI { 1860} (( segid " " and resid 912 and name HA )) (( segid " " and resid 913 and name H )) 2.600 0.800 0.800 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.41983E-02 ppm1 4.195 ppm2 8.205 CV 1 ASSI { 1558} ( segid " " and resid 987 and name HD1%) (( segid " " and resid 983 and name HG3 )) 3.000 1.100 1.100 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.78258E-03 ppm1 0.712 ppm2 2.263 CV 1 ASSI { 3290} ( segid " " and resid 987 and name HD1%) (( segid " " and resid 1042 and name H )) 3.500 1.600 1.600 peak 3290 spectrum 1 weight 0.10000E+01 volume 0.11789E-02 ppm1 0.710 ppm2 7.734 CV 1 ASSI { 868} (( segid " " and resid 996 and name HA )) (( segid " " and resid 999 and name H )) 2.900 1.100 1.100 peak 868 spectrum 1 weight 0.10000E+01 volume 0.20622E-02 ppm1 4.169 ppm2 7.749 CV 1 ASSI { 2417} (( segid " " and resid 982 and name HA )) ( segid " " and resid 982 and name HB% ) 2.100 0.600 0.600 peak 2417 spectrum 1 weight 0.10000E+01 volume 0.13441E-01 ppm1 4.091 ppm2 1.460 CV 1 ASSI { 1168} (( segid " " and resid 1007 and name HA )) ( segid " " and resid 1006 and name HB% ) 3.600 1.600 1.600 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.83633E-03 ppm1 4.301 ppm2 1.417 CV 1 ASSI { 469} (( segid " " and resid 972 and name HA2 )) (( segid " " and resid 975 and name H )) 3.500 1.500 1.500 peak 469 spectrum 1 weight 0.10000E+01 volume 0.84303E-03 ppm1 3.806 ppm2 7.729 CV 1 OR { 469} (( segid " " and resid 972 and name HA3 )) (( segid " " and resid 975 and name H )) ASSI { 2548} (( segid " " and resid 911 and name HB3 )) (( segid " " and resid 911 and name HA )) 2.900 1.100 1.100 peak 2548 spectrum 1 weight 0.10000E+01 volume 0.16021E-02 ppm1 2.979 ppm2 4.735 CV 1 ASSI { 332} (( segid " " and resid 990 and name HB3 )) (( segid " " and resid 990 and name HG )) 3.100 1.200 1.200 peak 332 spectrum 1 weight 0.10000E+01 volume 0.17633E-02 ppm1 3.397 ppm2 3.583 CV 1 ASSI { 2912} ( segid " " and resid 953 and name HG2%) (( segid " " and resid 953 and name H )) 2.200 0.600 0.600 peak 2912 spectrum 1 weight 0.10000E+01 volume 0.85881E-02 ppm1 0.961 ppm2 7.924 CV 1 ASSI { 1600} (( segid " " and resid 1043 and name HA )) (( segid " " and resid 1043 and name HB3 )) 2.400 0.700 0.700 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.57871E-02 ppm1 4.162 ppm2 2.076 CV 1 ASSI { 875} ( segid " " and resid 1038 and name HB% ) (( segid " " and resid 991 and name HG2 )) 2.900 1.100 1.100 peak 875 spectrum 1 weight 0.10000E+01 volume 0.25056E-02 ppm1 1.396 ppm2 2.268 CV 1 ASSI { 1899} ( segid " " and resid 982 and name HB% ) (( segid " " and resid 973 and name HA )) 2.500 0.800 0.800 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.48332E-02 ppm1 1.457 ppm2 4.001 CV 1 ASSI { 1640} (( segid " " and resid 1033 and name HG3 )) (( segid " " and resid 920 and name HA )) 3.300 1.400 1.400 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.13536E-02 ppm1 2.346 ppm2 4.022 CV 1 OR { 1640} (( segid " " and resid 1033 and name HG2 )) (( segid " " and resid 920 and name HA )) ASSI { 660} (( segid " " and resid 1019 and name HA )) (( segid " " and resid 1019 and name H )) 2.500 0.800 0.800 peak 660 spectrum 1 weight 0.10000E+01 volume 0.57064E-02 ppm1 4.151 ppm2 7.928 CV 1 ASSI { 3296} (( segid " " and resid 998 and name HA2 )) (( segid " " and resid 999 and name H )) 3.200 1.300 1.300 peak 3296 spectrum 1 weight 0.10000E+01 volume 0.18843E-02 ppm1 3.928 ppm2 7.750 CV 1 ASSI { 540} ( segid " " and resid 917 and name HD1%) (( segid " " and resid 917 and name HA )) 3.100 1.200 1.200 peak 540 spectrum 1 weight 0.10000E+01 volume 0.17600E-02 ppm1 0.699 ppm2 4.041 CV 1 ASSI { 303} ( segid " " and resid 985 and name HB% ) (( segid " " and resid 985 and name HA )) 2.100 0.600 0.600 peak 303 spectrum 1 weight 0.10000E+01 volume 0.16196E-01 ppm1 1.473 ppm2 4.186 CV 1 ASSI { 171} ( segid " " and resid 959 and name HG2%) (( segid " " and resid 960 and name H )) 3.800 1.800 1.800 peak 171 spectrum 1 weight 0.10000E+01 volume 0.16693E-02 ppm1 0.751 ppm2 8.668 CV 1 ASSI { 3065} ( segid " " and resid 1020 and name HD1%) (( segid " " and resid 1020 and name HB3 )) 2.700 0.900 0.900 peak 3065 spectrum 1 weight 0.10000E+01 volume 0.31303E-02 ppm1 0.755 ppm2 1.939 CV 1 ASSI { 383} ( segid " " and resid 1020 and name HD2%) (( segid " " and resid 1020 and name HB3 )) 2.600 0.900 0.900 peak 383 spectrum 1 weight 0.10000E+01 volume 0.31840E-02 ppm1 0.816 ppm2 1.945 CV 1 ASSI { 2535} (( segid " " and resid 960 and name HA )) ( segid " " and resid 963 and name HD1%) 2.300 0.600 0.600 peak 2535 spectrum 1 weight 0.10000E+01 volume 0.67071E-02 ppm1 3.926 ppm2 0.937 CV 1 ASSI { 2517} ( segid " " and resid 925 and name HB% ) (( segid " " and resid 926 and name H )) 2.400 0.700 0.700 peak 2517 spectrum 1 weight 0.10000E+01 volume 0.73421E-02 ppm1 1.231 ppm2 7.903 CV 1 ASSI { 3521} (( segid " " and resid 995 and name HG3 )) (( segid " " and resid 995 and name HB2 )) 2.300 0.700 0.700 peak 3521 spectrum 1 weight 0.10000E+01 volume 0.81313E-02 ppm1 2.399 ppm2 2.164 CV 1 OR { 3521} (( segid " " and resid 995 and name HG3 )) (( segid " " and resid 995 and name HB3 )) ASSI { 2353} (( segid " " and resid 922 and name HE3 )) (( segid " " and resid 919 and name HA )) 3.100 1.200 1.200 peak 2353 spectrum 1 weight 0.10000E+01 volume 0.16223E-02 ppm1 2.820 ppm2 4.126 CV 1 OR { 2353} (( segid " " and resid 922 and name HE2 )) (( segid " " and resid 919 and name HA )) ASSI { 3403} ( segid " " and resid 914 and name HG2%) (( segid " " and resid 917 and name H )) 3.900 1.900 1.900 peak 3403 spectrum 1 weight 0.10000E+01 volume 0.73553E-03 ppm1 0.796 ppm2 7.589 CV 1 ASSI { 1831} ( segid " " and resid 1017 and name HB% ) (( segid " " and resid 1018 and name H )) 2.400 0.700 0.700 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.62235E-02 ppm1 1.494 ppm2 8.361 CV 1 ASSI { 222} (( segid " " and resid 1005 and name HE2 )) (( segid " " and resid 1005 and name HD3 )) 2.500 0.800 0.800 peak 222 spectrum 1 weight 0.10000E+01 volume 0.45980E-02 ppm1 2.760 ppm2 1.598 CV 1 OR { 222} (( segid " " and resid 1005 and name HE2 )) (( segid " " and resid 1005 and name HD2 )) ASSI { 1368} (( segid " " and resid 996 and name HG3 )) (( segid " " and resid 962 and name HG3 )) 3.100 1.200 1.200 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.72548E-03 ppm1 1.765 ppm2 2.396 CV 1 ASSI { 3152} ( segid " " and resid 1011 and name HD1%) (( segid " " and resid 1017 and name HA )) 2.600 0.800 0.800 peak 3152 spectrum 1 weight 0.10000E+01 volume 0.32445E-02 ppm1 0.610 ppm2 3.851 CV 1 ASSI { 2281} (( segid " " and resid 962 and name HB2 )) (( segid " " and resid 962 and name H )) 2.700 0.900 0.900 peak 2281 spectrum 1 weight 0.10000E+01 volume 0.14409E-02 ppm1 2.722 ppm2 7.470 CV 1 ASSI { 2927} (( segid " " and resid 996 and name HA )) (( segid " " and resid 999 and name HB3 )) 2.600 0.800 0.800 peak 2927 spectrum 1 weight 0.10000E+01 volume 0.44469E-02 ppm1 4.169 ppm2 1.802 CV 1 OR { 2927} (( segid " " and resid 996 and name HA )) (( segid " " and resid 999 and name HB2 )) ASSI { 134} ( segid " " and resid 959 and name HG2%) (( segid " " and resid 955 and name HB2 )) 3.500 1.500 1.500 peak 134 spectrum 1 weight 0.10000E+01 volume 0.10009E-02 ppm1 0.748 ppm2 3.792 CV 1 OR { 134} ( segid " " and resid 959 and name HG2%) (( segid " " and resid 955 and name HB3 )) ASSI { 1248} (( segid " " and resid 1042 and name HB3 )) (( segid " " and resid 1043 and name H )) 2.900 1.000 1.000 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.13603E-02 ppm1 2.196 ppm2 7.526 CV 1 ASSI { 1712} (( segid " " and resid 951 and name HB2 )) (( segid " " and resid 952 and name H )) 3.600 1.600 1.600 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.66838E-03 ppm1 1.665 ppm2 8.009 CV 1 ASSI { 2656} (( segid " " and resid 926 and name HA )) (( segid " " and resid 929 and name HB )) 2.700 0.900 0.900 peak 2656 spectrum 1 weight 0.10000E+01 volume 0.34931E-02 ppm1 4.093 ppm2 4.426 CV 1 ASSI { 1809} (( segid " " and resid 949 and name HA )) (( segid " " and resid 949 and name HB3 )) 2.800 1.000 1.000 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.23074E-02 ppm1 4.427 ppm2 1.924 CV 1 OR { 1809} (( segid " " and resid 949 and name HA )) (( segid " " and resid 949 and name HB2 )) ASSI { 2619} (( segid " " and resid 995 and name HA )) (( segid " " and resid 999 and name H )) 3.500 1.500 1.500 peak 2619 spectrum 1 weight 0.10000E+01 volume 0.81618E-03 ppm1 4.302 ppm2 7.753 CV 1 ASSI { 498} ( segid " " and resid 963 and name HD1%) (( segid " " and resid 963 and name H )) 3.200 1.300 1.300 peak 498 spectrum 1 weight 0.10000E+01 volume 0.33083E-02 ppm1 0.935 ppm2 7.920 CV 1 ASSI { 1182} ( segid " " and resid 984 and name HD1%) (( segid " " and resid 984 and name H )) 3.300 1.400 1.400 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.22570E-02 ppm1 0.842 ppm2 8.313 CV 1 ASSI { 1567} (( segid " " and resid 927 and name HA )) (( segid " " and resid 931 and name H )) 3.600 1.600 1.600 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.95053E-03 ppm1 4.212 ppm2 8.047 CV 1 ASSI { 664} ( segid " " and resid 953 and name HG1%) ( segid " " and resid 953 and name HG2%) 2.000 0.500 0.500 peak 664 spectrum 1 weight 0.10000E+01 volume 0.22604E-01 ppm1 0.884 ppm2 0.963 CV 1 ASSI { 1898} (( segid " " and resid 1009 and name HA )) (( segid " " and resid 1009 and name HG2 )) 3.200 1.300 1.300 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.41580E-02 ppm1 4.449 ppm2 1.920 CV 1 OR { 1898} (( segid " " and resid 1009 and name HA )) (( segid " " and resid 1009 and name HG3 )) ASSI { 2747} ( segid " " and resid 931 and name HG2%) (( segid " " and resid 932 and name HA )) 3.400 1.400 1.400 peak 2747 spectrum 1 weight 0.10000E+01 volume 0.93708E-03 ppm1 0.960 ppm2 3.707 CV 1 ASSI { 1304} ( segid " " and resid 914 and name HG2%) (( segid " " and resid 983 and name HG2 )) 3.300 1.400 1.400 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.16525E-02 ppm1 0.798 ppm2 2.704 CV 1 ASSI { 378} (( segid " " and resid 1040 and name HG2 )) (( segid " " and resid 1040 and name HA )) 2.700 0.900 0.900 peak 378 spectrum 1 weight 0.10000E+01 volume 0.23376E-02 ppm1 1.568 ppm2 3.968 CV 1 ASSI { 785} (( segid " " and resid 985 and name HA )) (( segid " " and resid 985 and name H )) 2.600 0.800 0.800 peak 785 spectrum 1 weight 0.10000E+01 volume 0.46551E-02 ppm1 4.184 ppm2 7.884 CV 1 ASSI { 640} (( segid " " and resid 932 and name HA )) (( segid " " and resid 933 and name H )) 3.400 1.400 1.400 peak 640 spectrum 1 weight 0.10000E+01 volume 0.96057E-03 ppm1 3.697 ppm2 7.555 CV 1 ASSI { 335} (( segid " " and resid 1040 and name HG2 )) (( segid " " and resid 1040 and name HB3 )) 2.600 0.900 0.900 peak 335 spectrum 1 weight 0.10000E+01 volume 0.24250E-02 ppm1 1.569 ppm2 1.824 CV 1 ASSI { 283} (( segid " " and resid 1004 and name HA )) ( segid " " and resid 952 and name HD2%) 2.600 0.900 0.900 peak 283 spectrum 1 weight 0.10000E+01 volume 0.37450E-02 ppm1 3.868 ppm2 0.704 CV 1 ASSI { 249} (( segid " " and resid 927 and name HA )) (( segid " " and resid 927 and name H )) 2.600 0.800 0.800 peak 249 spectrum 1 weight 0.10000E+01 volume 0.40438E-02 ppm1 4.212 ppm2 8.507 CV 1 ASSI { 644} (( segid " " and resid 915 and name HB3 )) (( segid " " and resid 915 and name H )) 3.200 1.300 1.300 peak 644 spectrum 1 weight 0.10000E+01 volume 0.13334E-02 ppm1 1.736 ppm2 7.786 CV 1 ASSI { 1475} (( segid " " and resid 970 and name HA )) ( segid " " and resid 986 and name HD2%) 2.800 1.000 1.000 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.28179E-02 ppm1 3.437 ppm2 0.670 CV 1 ASSI { 1101} (( segid " " and resid 984 and name HB3 )) (( segid " " and resid 984 and name HB2 )) 1.800 0.400 0.400 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.13139E-01 ppm1 1.562 ppm2 1.758 CV 1 OR { 1101} (( segid " " and resid 984 and name HB3 )) (( segid " " and resid 984 and name HG )) ASSI { 1371} (( segid " " and resid 930 and name HA )) (( segid " " and resid 930 and name HB2 )) 2.700 0.900 0.900 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.55956E-02 ppm1 4.112 ppm2 2.193 CV 1 ASSI { 1881} ( segid " " and resid 931 and name HG2%) (( segid " " and resid 1023 and name HB3 )) 3.300 1.300 1.300 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.16559E-02 ppm1 0.959 ppm2 2.796 CV 1 ASSI { 2466} (( segid " " and resid 952 and name HA )) (( segid " " and resid 952 and name HB2 )) 3.000 1.100 1.100 peak 2466 spectrum 1 weight 0.10000E+01 volume 0.15618E-02 ppm1 3.911 ppm2 2.001 CV 1 ASSI { 3257} (( segid " " and resid 964 and name HA )) (( segid " " and resid 965 and name H )) 3.300 1.300 1.300 peak 3257 spectrum 1 weight 0.10000E+01 volume 0.10647E-02 ppm1 4.243 ppm2 6.858 CV 1 ASSI { 1346} (( segid " " and resid 1016 and name HB2 )) (( segid " " and resid 1017 and name H )) 3.200 1.300 1.300 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.13267E-02 ppm1 3.952 ppm2 8.473 CV 1 ASSI { 3367} ( segid " " and resid 1010 and name HG2%) (( segid " " and resid 1007 and name HA )) 2.800 1.000 1.000 peak 3367 spectrum 1 weight 0.10000E+01 volume 0.30631E-02 ppm1 1.179 ppm2 4.304 CV 1 ASSI { 2846} (( segid " " and resid 943 and name HA )) (( segid " " and resid 944 and name H )) 2.900 1.100 1.100 peak 2846 spectrum 1 weight 0.10000E+01 volume 0.20589E-02 ppm1 4.248 ppm2 8.183 CV 1 ASSI { 1173} ( segid " " and resid 1020 and name HD1%) (( segid " " and resid 1021 and name H )) 4.000 2.000 2.000 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.85983E-03 ppm1 0.755 ppm2 8.393 CV 1 ASSI { 271} (( segid " " and resid 930 and name HG2 )) (( segid " " and resid 930 and name HA )) 2.700 0.900 0.900 peak 271 spectrum 1 weight 0.10000E+01 volume 0.33822E-02 ppm1 2.513 ppm2 4.114 CV 1 ASSI { 3114} (( segid " " and resid 1041 and name HA )) (( segid " " and resid 1042 and name H )) 3.200 1.300 1.300 peak 3114 spectrum 1 weight 0.10000E+01 volume 0.12998E-02 ppm1 4.035 ppm2 7.735 CV 1 ASSI { 2651} ( segid " " and resid 953 and name HG1%) (( segid " " and resid 953 and name HA )) 2.300 0.700 0.700 peak 2651 spectrum 1 weight 0.10000E+01 volume 0.84237E-02 ppm1 0.887 ppm2 3.552 CV 1 ASSI { 461} (( segid " " and resid 965 and name HA )) (( segid " " and resid 965 and name HG )) 2.900 1.000 1.000 peak 461 spectrum 1 weight 0.10000E+01 volume 0.24182E-02 ppm1 4.036 ppm2 1.725 CV 1 ASSI { 3040} ( segid " " and resid 970 and name HG1%) (( segid " " and resid 918 and name HA )) 2.800 1.000 1.000 peak 3040 spectrum 1 weight 0.10000E+01 volume 0.23242E-02 ppm1 0.726 ppm2 3.649 CV 1 ASSI { 2185} (( segid " " and resid 1043 and name HA )) (( segid " " and resid 1043 and name HG2 )) 2.800 1.000 1.000 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.54209E-02 ppm1 4.162 ppm2 2.229 CV 1 ASSI { 347} ( segid " " and resid 1001 and name HG1%) (( segid " " and resid 1028 and name H )) 3.100 1.200 1.200 peak 347 spectrum 1 weight 0.10000E+01 volume 0.21731E-02 ppm1 0.886 ppm2 8.588 CV 1 ASSI { 2394} (( segid " " and resid 909 and name HA )) (( segid " " and resid 909 and name HB3 )) 2.500 0.800 0.800 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.44906E-02 ppm1 4.767 ppm2 2.498 CV 1 ASSI { 569} ( segid " " and resid 914 and name HG1%) (( segid " " and resid 983 and name HE22)) 3.500 1.600 1.600 peak 569 spectrum 1 weight 0.10000E+01 volume 0.14409E-02 ppm1 0.903 ppm2 6.692 CV 1 ASSI { 1110} (( segid " " and resid 937 and name HB3 )) (( segid " " and resid 937 and name HD2 )) 3.000 1.100 1.100 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.20790E-02 ppm1 3.171 ppm2 7.131 CV 1 OR { 1110} (( segid " " and resid 937 and name HB2 )) (( segid " " and resid 937 and name HD2 )) ASSI { 2579} (( segid " " and resid 928 and name HA )) (( segid " " and resid 931 and name HB )) 2.700 0.900 0.900 peak 2579 spectrum 1 weight 0.10000E+01 volume 0.22066E-02 ppm1 4.045 ppm2 4.234 CV 1 ASSI { 89} ( segid " " and resid 1011 and name HG2%) (( segid " " and resid 1012 and name HB3 )) 4.000 2.000 2.000 peak 89 spectrum 1 weight 0.10000E+01 volume 0.86987E-03 ppm1 0.950 ppm2 2.084 CV 1 ASSI { 2247} ( segid " " and resid 1034 and name HD1%) ( segid " " and resid 920 and name HB% ) 2.200 0.600 0.600 peak 2247 spectrum 1 weight 0.10000E+01 volume 0.11547E-01 ppm1 0.820 ppm2 1.422 CV 1 ASSI { 1735} (( segid " " and resid 996 and name HD2 )) (( segid " " and resid 996 and name HG3 )) 3.100 1.200 1.200 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.20018E-02 ppm1 4.060 ppm2 1.762 CV 1 ASSI { 60} (( segid " " and resid 1033 and name HB2 )) (( segid " " and resid 1033 and name HA )) 2.700 0.900 0.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.34057E-02 ppm1 2.089 ppm2 4.158 CV 1 ASSI { 279} (( segid " " and resid 949 and name HG2 )) (( segid " " and resid 949 and name HA )) 2.700 0.900 0.900 peak 279 spectrum 1 weight 0.10000E+01 volume 0.36644E-02 ppm1 2.307 ppm2 4.428 CV 1 OR { 279} (( segid " " and resid 949 and name HG3 )) (( segid " " and resid 949 and name HA )) ASSI { 3425} ( segid " " and resid 1032 and name HB% ) (( segid " " and resid 1033 and name HB3 )) 3.700 1.700 1.700 peak 3425 spectrum 1 weight 0.10000E+01 volume 0.11117E-02 ppm1 1.553 ppm2 1.965 CV 1 ASSI { 2104} (( segid " " and resid 1012 and name HA )) (( segid " " and resid 1012 and name HB3 )) 2.500 0.800 0.800 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.49642E-02 ppm1 3.999 ppm2 2.083 CV 1 ASSI { 604} (( segid " " and resid 962 and name HA )) ( segid " " and resid 965 and name HD2%) 4.300 2.300 1.700 peak 604 spectrum 1 weight 0.10000E+01 volume 0.10378E-02 ppm1 4.363 ppm2 0.835 CV 1 ASSI { 1322} ( segid " " and resid 953 and name HG1%) (( segid " " and resid 954 and name HA )) 2.700 0.900 0.900 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.37248E-02 ppm1 0.886 ppm2 3.968 CV 1 ASSI { 1025} (( segid " " and resid 964 and name HG3 )) (( segid " " and resid 964 and name HB2 )) 2.700 0.900 0.900 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.52900E-02 ppm1 1.927 ppm2 1.734 CV 1 ASSI { 113} ( segid " " and resid 951 and name HD2%) (( segid " " and resid 951 and name HA )) 2.500 0.800 0.800 peak 113 spectrum 1 weight 0.10000E+01 volume 0.67675E-02 ppm1 0.800 ppm2 4.078 CV 1 ASSI { 2954} (( segid " " and resid 1025 and name HG2 )) (( segid " " and resid 1025 and name H )) 3.700 1.700 1.700 peak 2954 spectrum 1 weight 0.10000E+01 volume 0.76243E-03 ppm1 1.338 ppm2 7.951 CV 1 ASSI { 1991} ( segid " " and resid 959 and name HG1%) (( segid " " and resid 993 and name HZ )) 2.700 0.900 0.900 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.43461E-02 ppm1 0.849 ppm2 6.771 CV 1 ASSI { 3494} (( segid " " and resid 996 and name HA )) ( segid " " and resid 959 and name HG2%) 3.700 1.700 1.700 peak 3494 spectrum 1 weight 0.10000E+01 volume 0.83298E-03 ppm1 4.172 ppm2 0.751 CV 1 ASSI { 1816} (( segid " " and resid 963 and name HG12)) ( segid " " and resid 928 and name HB% ) 3.100 1.200 1.200 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.76913E-03 ppm1 0.929 ppm2 1.647 CV 1 ASSI { 1021} (( segid " " and resid 1022 and name HB3 )) (( segid " " and resid 1022 and name HG2 )) 2.200 0.600 0.600 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.10496E-01 ppm1 2.218 ppm2 2.403 CV 1 OR { 1021} (( segid " " and resid 1022 and name HB3 )) (( segid " " and resid 1022 and name HG3 )) ASSI { 2972} ( segid " " and resid 908 and name HD1%) (( segid " " and resid 908 and name HB )) 3.000 1.100 1.100 peak 2972 spectrum 1 weight 0.10000E+01 volume 0.22134E-02 ppm1 0.764 ppm2 1.718 CV 1 ASSI { 3538} (( segid " " and resid 1021 and name HB2 )) ( segid " " and resid 1008 and name HG1%) 2.700 0.900 0.900 peak 3538 spectrum 1 weight 0.10000E+01 volume 0.22839E-02 ppm1 4.082 ppm2 0.896 CV 1 ASSI { 3151} (( segid " " and resid 930 and name HB2 )) (( segid " " and resid 931 and name H )) 3.000 1.200 1.200 peak 3151 spectrum 1 weight 0.10000E+01 volume 0.13704E-02 ppm1 2.179 ppm2 8.046 CV 1 OR { 3151} (( segid " " and resid 930 and name HB3 )) (( segid " " and resid 931 and name H )) ASSI { 125} ( segid " " and resid 914 and name HG2%) ( segid " " and resid 1041 and name HB% ) 3.700 1.700 1.700 peak 125 spectrum 1 weight 0.10000E+01 volume 0.12494E-02 ppm1 0.797 ppm2 1.304 CV 1 ASSI { 1239} ( segid " " and resid 987 and name HG2%) (( segid " " and resid 987 and name HA )) 2.300 0.700 0.700 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.65463E-02 ppm1 0.802 ppm2 3.362 CV 1 ASSI { 894} (( segid " " and resid 932 and name HA )) ( segid " " and resid 932 and name HG2%) 2.400 0.700 0.700 peak 894 spectrum 1 weight 0.10000E+01 volume 0.65930E-02 ppm1 3.697 ppm2 0.842 CV 1 ASSI { 2789} ( segid " " and resid 989 and name HB% ) (( segid " " and resid 969 and name H )) 3.100 1.200 1.200 peak 2789 spectrum 1 weight 0.10000E+01 volume 0.65158E-03 ppm1 1.397 ppm2 7.986 CV 1 ASSI { 1275} (( segid " " and resid 930 and name HG3 )) (( segid " " and resid 927 and name HA )) 3.400 1.400 1.400 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.77248E-03 ppm1 2.449 ppm2 4.216 CV 1 ASSI { 2180} (( segid " " and resid 930 and name HG3 )) (( segid " " and resid 930 and name HB3 )) 2.700 0.900 0.900 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.36744E-02 ppm1 2.448 ppm2 2.195 CV 1 ASSI { 94} (( segid " " and resid 1023 and name HA )) (( segid " " and resid 1027 and name H )) 3.600 1.600 1.600 peak 94 spectrum 1 weight 0.10000E+01 volume 0.71538E-03 ppm1 4.124 ppm2 8.796 CV 1 ASSI { 3292} (( segid " " and resid 1011 and name HA )) (( segid " " and resid 1011 and name HB )) 3.200 1.300 1.300 peak 3292 spectrum 1 weight 0.10000E+01 volume 0.12931E-02 ppm1 3.963 ppm2 1.848 CV 1 ASSI { 2407} ( segid " " and resid 1031 and name HD2%) (( segid " " and resid 997 and name HA3 )) 2.600 0.800 0.800 peak 2407 spectrum 1 weight 0.10000E+01 volume 0.27676E-02 ppm1 0.944 ppm2 3.201 CV 1 ASSI { 564} ( segid " " and resid 914 and name HG2%) ( segid " " and resid 914 and name HG1%) 2.200 0.600 0.600 peak 564 spectrum 1 weight 0.10000E+01 volume 0.12488E-01 ppm1 0.798 ppm2 0.900 CV 1 ASSI { 346} ( segid " " and resid 931 and name HG2%) (( segid " " and resid 931 and name H )) 3.400 1.400 1.400 peak 346 spectrum 1 weight 0.10000E+01 volume 0.25627E-02 ppm1 0.960 ppm2 8.045 CV 1 ASSI { 477} (( segid " " and resid 920 and name HA )) ( segid " " and resid 920 and name HB% ) 2.200 0.600 0.600 peak 477 spectrum 1 weight 0.10000E+01 volume 0.80135E-02 ppm1 4.022 ppm2 1.420 CV 1 ASSI { 304} (( segid " " and resid 1039 and name HG2 )) (( segid " " and resid 1040 and name H )) 3.800 1.800 1.800 peak 304 spectrum 1 weight 0.10000E+01 volume 0.69864E-03 ppm1 2.432 ppm2 8.322 CV 1 ASSI { 3317} (( segid " " and resid 973 and name HB2 )) (( segid " " and resid 973 and name H )) 2.800 1.000 1.000 peak 3317 spectrum 1 weight 0.10000E+01 volume 0.26601E-02 ppm1 3.565 ppm2 7.293 CV 1 ASSI { 2614} (( segid " " and resid 952 and name HB2 )) ( segid " " and resid 1003 and name HB% ) 3.700 1.800 1.800 peak 2614 spectrum 1 weight 0.10000E+01 volume 0.78593E-03 ppm1 2.006 ppm2 1.344 CV 1 ASSI { 336} ( segid " " and resid 985 and name HB% ) (( segid " " and resid 985 and name H )) 2.100 0.500 0.500 peak 336 spectrum 1 weight 0.10000E+01 volume 0.16763E-01 ppm1 1.473 ppm2 7.884 CV 1 ASSI { 1047} (( segid " " and resid 1042 and name HB3 )) (( segid " " and resid 1042 and name H )) 2.600 0.800 0.800 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.33251E-02 ppm1 2.196 ppm2 7.735 CV 1 ASSI { 1500} (( segid " " and resid 1005 and name HA )) (( segid " " and resid 1005 and name HG2 )) 2.400 0.700 0.700 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.44704E-02 ppm1 3.777 ppm2 1.343 CV 1 ASSI { 2761} (( segid " " and resid 941 and name HA )) (( segid " " and resid 941 and name H )) 2.800 1.000 1.000 peak 2761 spectrum 1 weight 0.10000E+01 volume 0.22940E-02 ppm1 4.510 ppm2 7.743 CV 1 ASSI { 2006} ( segid " " and resid 1008 and name HG1%) (( segid " " and resid 1009 and name HB3 )) 3.400 3.400 2.600 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.15148E-02 ppm1 0.889 ppm2 2.349 CV 1 ASSI { 1158} ( segid " " and resid 1030 and name HB% ) (( segid " " and resid 923 and name HB2 )) 2.400 2.400 3.600 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.28415E-02 ppm1 1.506 ppm2 1.977 CV 1 ASSI { 671} (( segid " " and resid 922 and name HD2 )) (( segid " " and resid 922 and name HA )) 4.200 2.200 1.800 peak 671 spectrum 1 weight 0.10000E+01 volume 0.10412E-02 ppm1 1.587 ppm2 3.689 CV 1 OR { 671} (( segid " " and resid 922 and name HD3 )) (( segid " " and resid 922 and name HA )) ASSI { 1208} ( segid " " and resid 1011 and name HD1%) (( segid " " and resid 938 and name HA )) 4.100 2.100 1.900 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.77923E-03 ppm1 0.609 ppm2 4.046 CV 1 ASSI { 2022} (( segid " " and resid 977 and name HA )) (( segid " " and resid 977 and name HB2 )) 2.600 0.900 0.900 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.57937E-02 ppm1 4.484 ppm2 2.273 CV 1 ASSI { 2118} (( segid " " and resid 977 and name HA )) (( segid " " and resid 977 and name HB3 )) 2.500 0.800 0.800 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.42756E-02 ppm1 4.486 ppm2 1.827 CV 1 ASSI { 1336} ( segid " " and resid 953 and name HG1%) (( segid " " and resid 956 and name H )) 3.500 1.600 1.600 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.12259E-02 ppm1 0.884 ppm2 8.032 CV 1 ASSI { 3495} ( segid " " and resid 1000 and name HE% ) ( segid " " and resid 959 and name HG2%) 2.200 0.600 0.600 peak 3495 spectrum 1 weight 0.10000E+01 volume 0.97265E-02 ppm1 1.974 ppm2 0.747 CV 1 ASSI { 1170} (( segid " " and resid 964 and name HD2 )) (( segid " " and resid 962 and name H )) 3.700 1.700 1.700 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.78258E-03 ppm1 3.673 ppm2 7.467 CV 1 ASSI { 3310} ( segid " " and resid 966 and name HD1%) ( segid " " and resid 986 and name HD2%) 3.700 1.700 1.700 peak 3310 spectrum 1 weight 0.10000E+01 volume 0.86987E-03 ppm1 -0.048 ppm2 0.676 CV 1 ASSI { 2896} ( segid " " and resid 1011 and name HD1%) (( segid " " and resid 1011 and name H )) 3.600 1.600 1.600 peak 2896 spectrum 1 weight 0.10000E+01 volume 0.19883E-02 ppm1 0.610 ppm2 7.304 CV 1 ASSI { 2436} ( segid " " and resid 932 and name HD1%) (( segid " " and resid 929 and name HA )) 2.500 0.800 0.800 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.46887E-02 ppm1 0.828 ppm2 3.712 CV 1 ASSI { 1710} (( segid " " and resid 980 and name HA )) (( segid " " and resid 980 and name HB3 )) 2.300 0.600 0.600 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.68213E-02 ppm1 4.256 ppm2 2.376 CV 1 ASSI { 1394} ( segid " " and resid 914 and name HG2%) (( segid " " and resid 918 and name H )) 3.500 1.500 1.500 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.13401E-02 ppm1 0.798 ppm2 8.756 CV 1 ASSI { 152} ( segid " " and resid 1044 and name HB% ) ( segid " " and resid 913 and name HD2%) 2.800 1.000 1.000 peak 152 spectrum 1 weight 0.10000E+01 volume 0.12662E-02 ppm1 1.306 ppm2 0.787 CV 1 ASSI { 748} ( segid " " and resid 966 and name HD1%) (( segid " " and resid 925 and name H )) 2.700 0.900 0.900 peak 748 spectrum 1 weight 0.10000E+01 volume 0.35166E-02 ppm1 -0.046 ppm2 8.121 CV 1 ASSI { 2892} ( segid " " and resid 959 and name HG1%) (( segid " " and resid 960 and name H )) 3.100 1.200 1.200 peak 2892 spectrum 1 weight 0.10000E+01 volume 0.25123E-02 ppm1 0.849 ppm2 8.669 CV 1 ASSI { 3418} ( segid " " and resid 914 and name HG1%) (( segid " " and resid 914 and name HB )) 2.100 0.600 0.600 peak 3418 spectrum 1 weight 0.10000E+01 volume 0.11806E-01 ppm1 0.903 ppm2 1.911 CV 1 ASSI { 559} (( segid " " and resid 927 and name HB2 )) ( segid " " and resid 926 and name HB% ) 3.100 1.200 1.200 peak 559 spectrum 1 weight 0.10000E+01 volume 0.70868E-03 ppm1 3.879 ppm2 1.418 CV 1 ASSI { 1584} (( segid " " and resid 1011 and name HA )) (( segid " " and resid 1013 and name H )) 4.200 2.200 1.800 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.71203E-03 ppm1 3.962 ppm2 7.545 CV 1 ASSI { 1827} (( segid " " and resid 971 and name HD3 )) (( segid " " and resid 971 and name HB3 )) 2.400 0.700 0.700 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.67843E-02 ppm1 3.079 ppm2 1.785 CV 1 OR { 1827} (( segid " " and resid 971 and name HD3 )) (( segid " " and resid 971 and name HB2 )) OR { 1827} (( segid " " and resid 971 and name HD2 )) (( segid " " and resid 971 and name HB3 )) OR { 1827} (( segid " " and resid 971 and name HD2 )) (( segid " " and resid 971 and name HB2 )) ASSI { 472} (( segid " " and resid 1025 and name HD2 )) (( segid " " and resid 1025 and name H )) 4.000 2.000 2.000 peak 472 spectrum 1 weight 0.10000E+01 volume 0.10546E-02 ppm1 1.617 ppm2 7.949 CV 1 OR { 472} (( segid " " and resid 1025 and name HD3 )) (( segid " " and resid 1025 and name H )) ASSI { 2299} ( segid " " and resid 966 and name HD1%) (( segid " " and resid 993 and name HZ )) 3.400 1.400 1.400 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.83298E-03 ppm1 -0.044 ppm2 6.771 CV 1 ASSI { 2236} (( segid " " and resid 962 and name HG3 )) ( segid " " and resid 965 and name HD1%) 3.600 1.600 1.600 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.14275E-02 ppm1 2.398 ppm2 0.938 CV 1 ASSI { 2327} (( segid " " and resid 956 and name HA )) (( segid " " and resid 959 and name H )) 3.100 1.200 1.200 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.14275E-02 ppm1 4.231 ppm2 7.562 CV 1 ASSI { 806} (( segid " " and resid 957 and name HD2 )) (( segid " " and resid 957 and name HA )) 3.300 1.400 1.400 peak 806 spectrum 1 weight 0.10000E+01 volume 0.13872E-02 ppm1 1.594 ppm2 3.950 CV 1 OR { 806} (( segid " " and resid 957 and name HD3 )) (( segid " " and resid 957 and name HA )) ASSI { 322} (( segid " " and resid 954 and name HA )) (( segid " " and resid 957 and name H )) 3.000 1.200 1.200 peak 322 spectrum 1 weight 0.10000E+01 volume 0.16424E-02 ppm1 3.959 ppm2 7.586 CV 1 ASSI { 2628} (( segid " " and resid 988 and name HA )) (( segid " " and resid 988 and name H )) 2.500 0.800 0.800 peak 2628 spectrum 1 weight 0.10000E+01 volume 0.53202E-02 ppm1 4.146 ppm2 8.518 CV 1 ASSI { 3500} (( segid " " and resid 1033 and name HB3 )) (( segid " " and resid 1033 and name HA )) 2.700 0.900 0.900 peak 3500 spectrum 1 weight 0.10000E+01 volume 0.27340E-02 ppm1 1.946 ppm2 4.160 CV 1 ASSI { 2218} (( segid " " and resid 989 and name HA )) (( segid " " and resid 989 and name H )) 2.500 0.800 0.800 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.52933E-02 ppm1 4.188 ppm2 8.252 CV 1 ASSI { 2701} (( segid " " and resid 1039 and name HB3 )) (( segid " " and resid 1040 and name H )) 2.800 0.900 0.900 peak 2701 spectrum 1 weight 0.10000E+01 volume 0.18910E-02 ppm1 2.215 ppm2 8.322 CV 1 ASSI { 2865} (( segid " " and resid 943 and name HB2 )) (( segid " " and resid 943 and name HB3 )) 1.800 0.400 0.400 peak 2865 spectrum 1 weight 0.10000E+01 volume 0.15900E-01 ppm1 1.833 ppm2 1.730 CV 1 ASSI { 206} (( segid " " and resid 1041 and name HA )) (( segid " " and resid 1041 and name H )) 2.600 0.800 0.800 peak 206 spectrum 1 weight 0.10000E+01 volume 0.39666E-02 ppm1 4.037 ppm2 7.621 CV 1 ASSI { 175} (( segid " " and resid 1018 and name HG3 )) (( segid " " and resid 1019 and name H )) 4.100 2.100 1.900 peak 175 spectrum 1 weight 0.10000E+01 volume 0.86652E-03 ppm1 2.579 ppm2 7.926 CV 1 ASSI { 1007} ( segid " " and resid 931 and name HG2%) (( segid " " and resid 931 and name HG1 )) 2.600 0.800 0.800 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.48500E-02 ppm1 0.960 ppm2 3.971 CV 1 ASSI { 2991} (( segid " " and resid 916 and name HA )) (( segid " " and resid 917 and name H )) 3.400 1.400 1.400 peak 2991 spectrum 1 weight 0.10000E+01 volume 0.94042E-03 ppm1 3.892 ppm2 7.593 CV 1 ASSI { 1313} (( segid " " and resid 996 and name HG2 )) (( segid " " and resid 997 and name H )) 3.200 1.300 1.300 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.91023E-03 ppm1 1.923 ppm2 7.835 CV 1 ASSI { 976} ( segid " " and resid 1031 and name HD1%) (( segid " " and resid 997 and name HA2 )) 3.700 1.700 1.700 peak 976 spectrum 1 weight 0.10000E+01 volume 0.13536E-02 ppm1 0.701 ppm2 3.260 CV 1 ASSI { 613} ( segid " " and resid 966 and name HD1%) (( segid " " and resid 966 and name H )) 3.600 1.600 1.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.19346E-02 ppm1 -0.046 ppm2 7.923 CV 1 ASSI { 591} ( segid " " and resid 1003 and name HB% ) (( segid " " and resid 1003 and name H )) 2.100 0.600 0.600 peak 591 spectrum 1 weight 0.10000E+01 volume 0.12091E-01 ppm1 1.331 ppm2 8.352 CV 1 ASSI { 3301} (( segid " " and resid 1009 and name HG2 )) (( segid " " and resid 1008 and name H )) 4.900 3.000 1.100 peak 3301 spectrum 1 weight 0.10000E+01 volume 0.59113E-03 ppm1 1.924 ppm2 7.529 CV 1 OR { 3301} (( segid " " and resid 1009 and name HG3 )) (( segid " " and resid 1008 and name H )) ASSI { 2762} (( segid " " and resid 976 and name HA )) (( segid " " and resid 977 and name HD2 )) 2.300 0.700 0.700 peak 2762 spectrum 1 weight 0.10000E+01 volume 0.47525E-02 ppm1 4.784 ppm2 3.331 CV 1 ASSI { 223} ( segid " " and resid 952 and name HD1%) ( segid " " and resid 935 and name HB% ) 2.200 0.600 0.600 peak 223 spectrum 1 weight 0.10000E+01 volume 0.11960E-01 ppm1 0.831 ppm2 1.355 CV 1 ASSI { 287} ( segid " " and resid 1011 and name HG2%) (( segid " " and resid 1012 and name HG3 )) 4.200 2.300 1.800 peak 287 spectrum 1 weight 0.10000E+01 volume 0.57769E-03 ppm1 0.949 ppm2 2.369 CV 1 ASSI { 2675} (( segid " " and resid 999 and name HG3 )) (( segid " " and resid 999 and name H )) 2.700 0.900 0.900 peak 2675 spectrum 1 weight 0.10000E+01 volume 0.21731E-02 ppm1 1.497 ppm2 7.749 CV 1 ASSI { 2468} (( segid " " and resid 1026 and name HA )) (( segid " " and resid 1025 and name HG2 )) 3.600 1.600 1.600 peak 2468 spectrum 1 weight 0.10000E+01 volume 0.59785E-03 ppm1 4.422 ppm2 1.339 CV 1 ASSI { 2819} ( segid " " and resid 917 and name HD1%) (( segid " " and resid 917 and name H )) 3.700 1.700 1.700 peak 2819 spectrum 1 weight 0.10000E+01 volume 0.14241E-02 ppm1 0.700 ppm2 7.592 CV 1 ASSI { 1580} (( segid " " and resid 915 and name HG3 )) (( segid " " and resid 915 and name HB2 )) 2.500 0.800 0.800 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.47593E-02 ppm1 2.232 ppm2 2.100 CV 1 OR { 1580} (( segid " " and resid 915 and name HG2 )) (( segid " " and resid 915 and name HB2 )) ASSI { 2345} (( segid " " and resid 924 and name HA )) (( segid " " and resid 928 and name H )) 3.400 1.500 1.500 peak 2345 spectrum 1 weight 0.10000E+01 volume 0.75908E-03 ppm1 3.841 ppm2 8.952 CV 1 ASSI { 1064} ( segid " " and resid 953 and name HG2%) (( segid " " and resid 954 and name H )) 3.600 1.700 1.700 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.22335E-02 ppm1 0.961 ppm2 8.192 CV 1 ASSI { 2623} ( segid " " and resid 951 and name HD1%) (( segid " " and resid 951 and name HG )) 2.200 0.600 0.600 peak 2623 spectrum 1 weight 0.10000E+01 volume 0.12575E-01 ppm1 0.842 ppm2 1.532 CV 1 OR { 2623} ( segid " " and resid 951 and name HD2%) (( segid " " and resid 951 and name HG )) OR { 2623} ( segid " " and resid 951 and name HD1%) (( segid " " and resid 951 and name HB3 )) ASSI { 768} (( segid " " and resid 974 and name HB2 )) (( segid " " and resid 974 and name HB3 )) 2.000 0.500 0.500 peak 768 spectrum 1 weight 0.10000E+01 volume 0.70701E-02 ppm1 1.836 ppm2 2.025 CV 1 ASSI { 2493} (( segid " " and resid 1022 and name HG2 )) (( segid " " and resid 1022 and name HE21)) 2.800 1.000 1.000 peak 2493 spectrum 1 weight 0.10000E+01 volume 0.20085E-02 ppm1 2.403 ppm2 7.295 CV 1 OR { 2493} (( segid " " and resid 1022 and name HG3 )) (( segid " " and resid 1022 and name HE21)) ASSI { 3203} (( segid " " and resid 966 and name HG )) ( segid " " and resid 925 and name HB% ) 4.200 2.200 1.800 peak 3203 spectrum 1 weight 0.10000E+01 volume 0.66169E-03 ppm1 1.102 ppm2 1.233 CV 1 ASSI { 2751} (( segid " " and resid 984 and name HA )) (( segid " " and resid 987 and name H )) 3.000 1.100 1.100 peak 2751 spectrum 1 weight 0.10000E+01 volume 0.17498E-02 ppm1 3.976 ppm2 8.444 CV 1 ASSI { 1308} (( segid " " and resid 920 and name HA )) (( segid " " and resid 924 and name H )) 4.100 2.100 1.900 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.73893E-03 ppm1 4.020 ppm2 8.225 CV 1 ASSI { 3319} (( segid " " and resid 991 and name HG3 )) (( segid " " and resid 991 and name H )) 2.300 0.700 0.700 peak 3319 spectrum 1 weight 0.10000E+01 volume 0.35334E-02 ppm1 2.511 ppm2 8.261 CV 1 ASSI { 3368} (( segid " " and resid 1005 and name HA )) ( segid " " and resid 1024 and name HB% ) 3.400 1.400 1.400 peak 3368 spectrum 1 weight 0.10000E+01 volume 0.12797E-02 ppm1 3.778 ppm2 1.422 CV 1 ASSI { 2253} (( segid " " and resid 1000 and name HA )) (( segid " " and resid 1000 and name HB2 )) 2.600 0.900 0.900 peak 2253 spectrum 1 weight 0.10000E+01 volume 0.24048E-02 ppm1 4.215 ppm2 1.735 CV 1 ASSI { 2803} ( segid " " and resid 1000 and name HE% ) ( segid " " and resid 1004 and name HB% ) 3.100 1.200 1.200 peak 2803 spectrum 1 weight 0.10000E+01 volume 0.22772E-02 ppm1 1.975 ppm2 1.277 CV 1 ASSI { 3426} (( segid " " and resid 1008 and name HA )) (( segid " " and resid 1008 and name H )) 2.600 0.800 0.800 peak 3426 spectrum 1 weight 0.10000E+01 volume 0.28582E-02 ppm1 3.633 ppm2 7.531 CV 1 ASSI { 1685} (( segid " " and resid 911 and name HB2 )) (( segid " " and resid 912 and name H )) 3.000 1.100 1.100 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.22537E-02 ppm1 3.133 ppm2 8.244 CV 1 ASSI { 592} (( segid " " and resid 976 and name HA )) (( segid " " and resid 976 and name HB2 )) 3.100 1.200 1.200 peak 592 spectrum 1 weight 0.10000E+01 volume 0.19447E-02 ppm1 4.784 ppm2 1.951 CV 1 ASSI { 1081} ( segid " " and resid 1027 and name HD1%) (( segid " " and resid 1028 and name H )) 4.100 2.100 1.900 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.84638E-03 ppm1 0.934 ppm2 8.585 CV 1 ASSI { 720} (( segid " " and resid 987 and name HG13)) (( segid " " and resid 987 and name H )) 2.600 0.900 0.900 peak 720 spectrum 1 weight 0.10000E+01 volume 0.13032E-02 ppm1 0.708 ppm2 8.442 CV 1 ASSI { 2048} ( segid " " and resid 975 and name HB% ) (( segid " " and resid 974 and name H )) 4.000 2.000 2.000 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.10714E-02 ppm1 1.460 ppm2 8.175 CV 1 ASSI { 1417} (( segid " " and resid 980 and name HA )) (( segid " " and resid 984 and name H )) 3.600 1.600 1.600 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.76913E-03 ppm1 4.256 ppm2 8.310 CV 1 ASSI { 1818} ( segid " " and resid 952 and name HD2%) (( segid " " and resid 1007 and name HB2 )) 3.800 1.800 1.800 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.78258E-03 ppm1 0.704 ppm2 3.663 CV 1 ASSI { 2199} ( segid " " and resid 963 and name HD1%) (( segid " " and resid 993 and name HZ )) 2.600 2.600 3.400 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.17398E-02 ppm1 0.935 ppm2 6.770 CV 1 ASSI { 2370} ( segid " " and resid 966 and name HD1%) ( segid " " and resid 925 and name HB% ) 2.300 0.700 0.700 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.75574E-02 ppm1 -0.046 ppm2 1.237 CV 1 ASSI { 1893} (( segid " " and resid 925 and name HA )) (( segid " " and resid 963 and name HG12)) 2.600 0.800 0.800 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.25123E-02 ppm1 3.721 ppm2 0.929 CV 1 ASSI { 3540} ( segid " " and resid 1027 and name HD2%) (( segid " " and resid 1000 and name H )) 3.200 1.200 1.200 peak 3540 spectrum 1 weight 0.10000E+01 volume 0.59785E-03 ppm1 0.822 ppm2 7.750 CV 1 ASSI { 275} ( segid " " and resid 932 and name HD1%) ( segid " " and resid 928 and name HB% ) 3.200 1.200 1.200 peak 275 spectrum 1 weight 0.10000E+01 volume 0.16391E-02 ppm1 0.827 ppm2 1.646 CV 1 ASSI { 1929} (( segid " " and resid 971 and name HA )) (( segid " " and resid 971 and name H )) 2.600 0.800 0.800 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.39834E-02 ppm1 3.948 ppm2 8.299 CV 1 ASSI { 921} (( segid " " and resid 1027 and name HB2 )) (( segid " " and resid 1027 and name HB3 )) 2.200 0.600 0.600 peak 921 spectrum 1 weight 0.10000E+01 volume 0.36207E-02 ppm1 1.892 ppm2 1.356 CV 1 ASSI { 1271} ( segid " " and resid 913 and name HD1%) (( segid " " and resid 1040 and name HB3 )) 3.000 1.200 1.200 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.14812E-02 ppm1 0.863 ppm2 1.832 CV 1 ASSI { 832} ( segid " " and resid 1036 and name HG2%) (( segid " " and resid 1040 and name HB2 )) 4.100 2.100 1.900 peak 832 spectrum 1 weight 0.10000E+01 volume 0.58777E-03 ppm1 1.196 ppm2 1.731 CV 1 ASSI { 517} (( segid " " and resid 976 and name HG3 )) (( segid " " and resid 976 and name H )) 3.300 1.400 1.400 peak 517 spectrum 1 weight 0.10000E+01 volume 0.15450E-02 ppm1 2.178 ppm2 7.050 CV 1 ASSI { 377} ( segid " " and resid 1034 and name HD1%) (( segid " " and resid 1033 and name HG3 )) 2.900 2.900 3.100 peak 377 spectrum 1 weight 0.10000E+01 volume 0.10076E-02 ppm1 0.831 ppm2 2.357 CV 1 OR { 377} ( segid " " and resid 1034 and name HD1%) (( segid " " and resid 1033 and name HG2 )) ASSI { 2103} (( segid " " and resid 911 and name HB2 )) (( segid " " and resid 911 and name HB3 )) 1.800 0.400 0.400 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.13972E-01 ppm1 3.135 ppm2 2.981 CV 1 ASSI { 2985} ( segid " " and resid 931 and name HG2%) (( segid " " and resid 932 and name H )) 3.200 1.300 1.300 peak 2985 spectrum 1 weight 0.10000E+01 volume 0.22100E-02 ppm1 0.960 ppm2 8.380 CV 1 ASSI { 1222} ( segid " " and resid 967 and name HG2%) (( segid " " and resid 967 and name HB )) 2.100 0.500 0.500 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.14039E-01 ppm1 0.847 ppm2 1.955 CV 1 ASSI { 3163} (( segid " " and resid 1025 and name HG2 )) (( segid " " and resid 1025 and name HB2 )) 2.700 0.900 0.900 peak 3163 spectrum 1 weight 0.10000E+01 volume 0.29120E-02 ppm1 1.333 ppm2 1.907 CV 1 OR { 3163} (( segid " " and resid 1025 and name HG2 )) (( segid " " and resid 1025 and name HB3 )) ASSI { 646} ( segid " " and resid 932 and name HG2%) (( segid " " and resid 936 and name HE21)) 3.000 1.200 1.200 peak 646 spectrum 1 weight 0.10000E+01 volume 0.15013E-02 ppm1 0.849 ppm2 7.198 CV 1 ASSI { 1576} (( segid " " and resid 1005 and name HA )) ( segid " " and resid 1004 and name HB% ) 3.600 1.600 1.600 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.84303E-03 ppm1 3.778 ppm2 1.274 CV 1 ASSI { 1202} (( segid " " and resid 974 and name HG2 )) (( segid " " and resid 974 and name HE22)) 4.300 2.300 1.700 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.66838E-03 ppm1 2.477 ppm2 6.552 CV 1 ASSI { 1326} ( segid " " and resid 951 and name HD1%) (( segid " " and resid 954 and name HB2 )) 3.200 1.300 1.300 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.13771E-02 ppm1 0.841 ppm2 2.059 CV 1 OR { 1326} ( segid " " and resid 951 and name HD1%) (( segid " " and resid 954 and name HB3 )) ASSI { 417} ( segid " " and resid 958 and name HB% ) (( segid " " and resid 996 and name HB2 )) 2.600 0.800 0.800 peak 417 spectrum 1 weight 0.10000E+01 volume 0.58676E-02 ppm1 1.447 ppm2 2.013 CV 1 ASSI { 3156} (( segid " " and resid 990 and name HB3 )) (( segid " " and resid 1034 and name HG )) 3.200 1.300 1.300 peak 3156 spectrum 1 weight 0.10000E+01 volume 0.58442E-03 ppm1 3.405 ppm2 1.452 CV 1 ASSI { 1210} (( segid " " and resid 911 and name HB2 )) (( segid " " and resid 915 and name HB3 )) 3.200 1.300 1.300 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.16659E-02 ppm1 3.135 ppm2 1.730 CV 1 ASSI { 2699} (( segid " " and resid 1035 and name HD2 )) (( segid " " and resid 1035 and name HA )) 4.200 2.200 1.800 peak 2699 spectrum 1 weight 0.10000E+01 volume 0.82623E-03 ppm1 3.238 ppm2 3.803 CV 1 OR { 2699} (( segid " " and resid 1035 and name HD3 )) (( segid " " and resid 1035 and name HA )) ASSI { 3407} (( segid " " and resid 980 and name HD3 )) (( segid " " and resid 980 and name HB3 )) 3.500 1.500 1.500 peak 3407 spectrum 1 weight 0.10000E+01 volume 0.96057E-03 ppm1 3.985 ppm2 2.375 CV 1 ASSI { 1962} (( segid " " and resid 983 and name HG2 )) (( segid " " and resid 983 and name H )) 3.000 1.200 1.200 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.26265E-02 ppm1 2.703 ppm2 7.788 CV 1 ASSI { 2501} (( segid " " and resid 1027 and name HB3 )) ( segid " " and resid 1001 and name HG2%) 3.000 1.100 1.100 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.11688E-02 ppm1 1.359 ppm2 1.020 CV 1 ASSI { 1924} (( segid " " and resid 954 and name HG3 )) (( segid " " and resid 954 and name HE22)) 4.000 2.000 2.000 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.10513E-02 ppm1 2.353 ppm2 6.789 CV 1 ASSI { 3027} ( segid " " and resid 925 and name HB% ) (( segid " " and resid 925 and name H )) 2.000 0.500 0.500 peak 3027 spectrum 1 weight 0.10000E+01 volume 0.13824E-01 ppm1 1.231 ppm2 8.120 CV 1 ASSI { 2166} (( segid " " and resid 980 and name HA )) (( segid " " and resid 983 and name HB2 )) 2.700 0.900 0.900 peak 2166 spectrum 1 weight 0.10000E+01 volume 0.24451E-02 ppm1 4.255 ppm2 2.198 CV 1 ASSI { 3129} (( segid " " and resid 1036 and name HA )) (( segid " " and resid 1039 and name HB3 )) 2.800 1.000 1.000 peak 3129 spectrum 1 weight 0.10000E+01 volume 0.18104E-02 ppm1 3.921 ppm2 2.218 CV 1 ASSI { 968} (( segid " " and resid 918 and name HA )) (( segid " " and resid 922 and name H )) 3.700 1.700 1.700 peak 968 spectrum 1 weight 0.10000E+01 volume 0.64154E-03 ppm1 3.647 ppm2 8.136 CV 1 ASSI { 3135} (( segid " " and resid 975 and name HA )) (( segid " " and resid 975 and name H )) 2.600 0.800 0.800 peak 3135 spectrum 1 weight 0.10000E+01 volume 0.50078E-02 ppm1 4.150 ppm2 7.728 CV 1 ASSI { 2711} (( segid " " and resid 915 and name HA )) (( segid " " and resid 919 and name H )) 3.600 1.600 1.600 peak 2711 spectrum 1 weight 0.10000E+01 volume 0.96733E-03 ppm1 3.848 ppm2 8.054 CV 1 ASSI { 2578} (( segid " " and resid 951 and name HA )) (( segid " " and resid 954 and name HB2 )) 2.600 0.900 0.900 peak 2578 spectrum 1 weight 0.10000E+01 volume 0.40405E-02 ppm1 4.084 ppm2 2.062 CV 1 OR { 2578} (( segid " " and resid 951 and name HA )) (( segid " " and resid 954 and name HB3 )) ASSI { 3357} (( segid " " and resid 933 and name HA )) (( segid " " and resid 933 and name H )) 2.600 0.800 0.800 peak 3357 spectrum 1 weight 0.10000E+01 volume 0.43361E-02 ppm1 4.119 ppm2 7.554 CV 1 ASSI { 239} (( segid " " and resid 966 and name HB2 )) (( segid " " and resid 966 and name HB3 )) 1.900 0.500 0.500 peak 239 spectrum 1 weight 0.10000E+01 volume 0.60824E-02 ppm1 1.328 ppm2 1.588 CV 1 ASSI { 1231} (( segid " " and resid 951 and name HA )) ( segid " " and resid 951 and name HD1%) 2.600 0.900 0.900 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.39733E-02 ppm1 4.083 ppm2 0.832 CV 1 ASSI { 464} (( segid " " and resid 1035 and name HA )) (( segid " " and resid 1035 and name HB2 )) 2.400 0.700 0.700 peak 464 spectrum 1 weight 0.10000E+01 volume 0.32747E-02 ppm1 3.804 ppm2 1.970 CV 1 ASSI { 3201} ( segid " " and resid 931 and name HG2%) (( segid " " and resid 1024 and name H )) 3.300 1.400 1.400 peak 3201 spectrum 1 weight 0.10000E+01 volume 0.11991E-02 ppm1 0.959 ppm2 8.665 CV 1 ASSI { 63} (( segid " " and resid 1002 and name HA )) (( segid " " and resid 1006 and name H )) 3.600 1.600 1.600 peak 63 spectrum 1 weight 0.10000E+01 volume 0.78593E-03 ppm1 3.991 ppm2 7.798 CV 1 ASSI { 2641} (( segid " " and resid 972 and name HA2 )) ( segid " " and resid 975 and name HB% ) 2.800 1.000 1.000 peak 2641 spectrum 1 weight 0.10000E+01 volume 0.34158E-02 ppm1 3.806 ppm2 1.460 CV 1 OR { 2641} (( segid " " and resid 972 and name HA3 )) ( segid " " and resid 975 and name HB% ) ASSI { 3509} ( segid " " and resid 929 and name HG2%) (( segid " " and resid 929 and name H )) 3.300 1.400 1.400 peak 3509 spectrum 1 weight 0.10000E+01 volume 0.32109E-02 ppm1 1.227 ppm2 8.340 CV 1 ASSI { 3505} (( segid " " and resid 952 and name HA )) (( segid " " and resid 955 and name HB3 )) 3.300 1.300 1.300 peak 3505 spectrum 1 weight 0.10000E+01 volume 0.11352E-02 ppm1 3.909 ppm2 3.792 CV 1 OR { 3505} (( segid " " and resid 952 and name HA )) (( segid " " and resid 955 and name HB2 )) ASSI { 2703} (( segid " " and resid 1000 and name HB3 )) ( segid " " and resid 1027 and name HD2%) 3.000 1.100 1.100 peak 2703 spectrum 1 weight 0.10000E+01 volume 0.12797E-02 ppm1 2.308 ppm2 0.828 CV 1 ASSI { 1321} ( segid " " and resid 987 and name HD1%) ( segid " " and resid 1038 and name HB% ) 3.900 1.900 1.900 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.12830E-02 ppm1 0.708 ppm2 1.395 CV 1 ASSI { 3451} ( segid " " and resid 929 and name HG2%) ( segid " " and resid 928 and name HB% ) 4.400 2.400 1.600 peak 3451 spectrum 1 weight 0.10000E+01 volume 0.57433E-03 ppm1 1.231 ppm2 1.648 CV 1 ASSI { 1526} (( segid " " and resid 1041 and name HA )) (( segid " " and resid 1040 and name HB2 )) 3.600 1.600 1.600 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.72213E-03 ppm1 4.035 ppm2 1.726 CV 1 ASSI { 3313} ( segid " " and resid 921 and name HB% ) (( segid " " and resid 922 and name H )) 2.500 0.800 0.800 peak 3313 spectrum 1 weight 0.10000E+01 volume 0.47425E-02 ppm1 1.171 ppm2 8.135 CV 1 ASSI { 2373} (( segid " " and resid 1023 and name HA )) (( segid " " and resid 1026 and name HB3 )) 3.700 1.700 1.700 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.17734E-02 ppm1 4.118 ppm2 2.849 CV 1 ASSI { 2205} (( segid " " and resid 1002 and name HA )) (( segid " " and resid 1003 and name H )) 3.200 1.300 1.300 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.15316E-02 ppm1 3.992 ppm2 8.349 CV 1 ASSI { 143} (( segid " " and resid 1016 and name HB3 )) (( segid " " and resid 1016 and name H )) 3.200 1.300 1.300 peak 143 spectrum 1 weight 0.10000E+01 volume 0.16626E-02 ppm1 3.725 ppm2 7.963 CV 1 ASSI { 1148} ( segid " " and resid 965 and name HD1%) (( segid " " and resid 965 and name HB2 )) 2.300 0.700 0.700 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.76207E-02 ppm1 0.938 ppm2 1.558 CV 1 ASSI { 2161} ( segid " " and resid 1034 and name HD2%) ( segid " " and resid 993 and name HD% ) 2.600 0.800 0.800 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.29489E-02 ppm1 0.895 ppm2 6.993 CV 1 ASSI { 1513} ( segid " " and resid 1001 and name HG2%) (( segid " " and resid 1001 and name HB )) 2.200 0.600 0.600 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.85678E-02 ppm1 1.021 ppm2 2.155 CV 1 ASSI { 2781} (( segid " " and resid 930 and name HA )) (( segid " " and resid 931 and name H )) 3.400 1.500 1.500 peak 2781 spectrum 1 weight 0.10000E+01 volume 0.10244E-02 ppm1 4.110 ppm2 8.042 CV 1 ASSI { 2613} (( segid " " and resid 971 and name HA )) (( segid " " and resid 971 and name HD2 )) 3.900 1.900 1.900 peak 2613 spectrum 1 weight 0.10000E+01 volume 0.98072E-03 ppm1 3.946 ppm2 3.080 CV 1 OR { 2613} (( segid " " and resid 971 and name HA )) (( segid " " and resid 971 and name HD3 )) ASSI { 2632} ( segid " " and resid 959 and name HG1%) (( segid " " and resid 962 and name HB2 )) 3.500 1.500 1.500 peak 2632 spectrum 1 weight 0.10000E+01 volume 0.73553E-03 ppm1 0.843 ppm2 2.726 CV 1 ASSI { 2222} (( segid " " and resid 1020 and name HA )) ( segid " " and resid 931 and name HG2%) 3.800 1.800 1.800 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.63478E-03 ppm1 3.936 ppm2 0.957 CV 1 ASSI { 2411} ( segid " " and resid 967 and name HG2%) (( segid " " and resid 970 and name H )) 4.100 2.100 1.900 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.97068E-03 ppm1 0.844 ppm2 8.053 CV 1 ASSI { 3161} ( segid " " and resid 1037 and name HB% ) (( segid " " and resid 1037 and name HA )) 2.100 0.500 0.500 peak 3161 spectrum 1 weight 0.10000E+01 volume 0.15017E-01 ppm1 1.321 ppm2 3.957 CV 1 ASSI { 179} (( segid " " and resid 977 and name HD2 )) (( segid " " and resid 977 and name HB2 )) 4.000 2.000 2.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.11218E-02 ppm1 3.329 ppm2 2.270 CV 1 ASSI { 195} (( segid " " and resid 974 and name HG2 )) (( segid " " and resid 974 and name HE21)) 3.100 1.200 1.200 peak 195 spectrum 1 weight 0.10000E+01 volume 0.11487E-02 ppm1 2.478 ppm2 7.392 CV 1 ASSI { 1316} (( segid " " and resid 996 and name HD2 )) (( segid " " and resid 996 and name HD3 )) 1.800 0.400 0.400 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.88936E-02 ppm1 4.061 ppm2 3.489 CV 1 ASSI { 3321} (( segid " " and resid 996 and name HB2 )) (( segid " " and resid 996 and name HG3 )) 3.100 1.200 1.200 peak 3321 spectrum 1 weight 0.10000E+01 volume 0.18003E-02 ppm1 2.010 ppm2 1.765 CV 1 ASSI { 1762} (( segid " " and resid 959 and name HA )) (( segid " " and resid 962 and name H )) 3.000 1.100 1.100 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.17096E-02 ppm1 3.394 ppm2 7.467 CV 1 ASSI { 2117} (( segid " " and resid 1013 and name HA )) (( segid " " and resid 1014 and name HB2 )) 3.800 1.800 1.800 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.12528E-02 ppm1 4.625 ppm2 2.060 CV 1 OR { 2117} (( segid " " and resid 1013 and name HA )) (( segid " " and resid 1014 and name HB3 )) ASSI { 1061} (( segid " " and resid 1032 and name HA )) (( segid " " and resid 1035 and name HB3 )) 2.500 0.800 0.800 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.38121E-02 ppm1 4.136 ppm2 2.018 CV 1 ASSI { 1738} (( segid " " and resid 965 and name HG )) (( segid " " and resid 966 and name H )) 4.100 2.100 1.900 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.82288E-03 ppm1 1.726 ppm2 7.926 CV 1 ASSI { 119} (( segid " " and resid 974 and name HB2 )) (( segid " " and resid 974 and name HA )) 3.000 1.100 1.100 peak 119 spectrum 1 weight 0.10000E+01 volume 0.33083E-02 ppm1 1.833 ppm2 3.950 CV 1 ASSI { 1374} (( segid " " and resid 999 and name HA )) (( segid " " and resid 999 and name H )) 2.400 0.700 0.700 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.59348E-02 ppm1 4.043 ppm2 7.750 CV 1 ASSI { 888} ( segid " " and resid 970 and name HG2%) (( segid " " and resid 966 and name HG )) 3.400 3.400 2.600 peak 888 spectrum 1 weight 0.10000E+01 volume 0.15988E-02 ppm1 0.914 ppm2 1.099 CV 1 ASSI { 1863} (( segid " " and resid 942 and name HG2 )) (( segid " " and resid 942 and name HD2 )) 2.500 0.800 0.800 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.30732E-02 ppm1 1.994 ppm2 3.750 CV 1 ASSI { 3527} ( segid " " and resid 914 and name HG1%) (( segid " " and resid 983 and name HG2 )) 3.000 1.100 1.100 peak 3527 spectrum 1 weight 0.10000E+01 volume 0.17230E-02 ppm1 0.903 ppm2 2.702 CV 1 ASSI { 1419} (( segid " " and resid 942 and name HA )) (( segid " " and resid 942 and name HD2 )) 3.800 1.800 1.800 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.80943E-03 ppm1 4.349 ppm2 3.743 CV 1 ASSI { 2420} ( segid " " and resid 932 and name HD1%) (( segid " " and resid 960 and name HA )) 2.700 0.900 0.900 peak 2420 spectrum 1 weight 0.10000E+01 volume 0.33721E-02 ppm1 0.827 ppm2 3.928 CV 1 ASSI { 807} (( segid " " and resid 965 and name HA )) (( segid " " and resid 965 and name HB2 )) 2.700 0.900 0.900 peak 807 spectrum 1 weight 0.10000E+01 volume 0.37718E-02 ppm1 4.037 ppm2 1.557 CV 1 ASSI { 2568} (( segid " " and resid 1009 and name HD3 )) (( segid " " and resid 1009 and name HB2 )) 3.500 1.500 1.500 peak 2568 spectrum 1 weight 0.10000E+01 volume 0.25190E-02 ppm1 3.577 ppm2 1.791 CV 1 OR { 2568} (( segid " " and resid 1009 and name HD2 )) (( segid " " and resid 1009 and name HB2 )) ASSI { 2687} (( segid " " and resid 1043 and name HA )) (( segid " " and resid 1043 and name H )) 2.400 0.700 0.700 peak 2687 spectrum 1 weight 0.10000E+01 volume 0.60590E-02 ppm1 4.162 ppm2 7.528 CV 1 ASSI { 2551} (( segid " " and resid 987 and name HG13)) (( segid " " and resid 987 and name HB )) 3.100 1.200 1.200 peak 2551 spectrum 1 weight 0.10000E+01 volume 0.95388E-03 ppm1 0.710 ppm2 1.869 CV 1 ASSI { 678} ( segid " " and resid 958 and name HB% ) ( segid " " and resid 959 and name HG2%) 3.200 1.200 1.200 peak 678 spectrum 1 weight 0.10000E+01 volume 0.21395E-02 ppm1 1.445 ppm2 0.749 CV 1 ASSI { 1432} (( segid " " and resid 969 and name HA3 )) (( segid " " and resid 970 and name H )) 3.000 1.200 1.200 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.14073E-02 ppm1 3.322 ppm2 8.054 CV 1 ASSI { 3072} (( segid " " and resid 974 and name HG3 )) (( segid " " and resid 974 and name H )) 2.900 1.000 1.000 peak 3072 spectrum 1 weight 0.10000E+01 volume 0.15719E-02 ppm1 2.269 ppm2 8.177 CV 1 ASSI { 1794} (( segid " " and resid 1009 and name HA )) (( segid " " and resid 1011 and name H )) 3.400 1.400 1.400 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.98072E-03 ppm1 4.449 ppm2 7.302 CV 1 ASSI { 2755} (( segid " " and resid 984 and name HA )) (( segid " " and resid 987 and name HB )) 2.400 0.700 0.700 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.46988E-02 ppm1 3.974 ppm2 1.864 CV 1 ASSI { 630} (( segid " " and resid 1025 and name HE3 )) (( segid " " and resid 1025 and name HB2 )) 3.400 1.500 1.500 peak 630 spectrum 1 weight 0.10000E+01 volume 0.93373E-03 ppm1 2.894 ppm2 1.899 CV 1 OR { 630} (( segid " " and resid 1025 and name HE2 )) (( segid " " and resid 1025 and name HB2 )) OR { 630} (( segid " " and resid 1025 and name HE3 )) (( segid " " and resid 1025 and name HB3 )) OR { 630} (( segid " " and resid 1025 and name HE2 )) (( segid " " and resid 1025 and name HB3 )) ASSI { 2260} (( segid " " and resid 980 and name HA )) (( segid " " and resid 980 and name HG3 )) 3.700 1.700 1.700 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.14207E-02 ppm1 4.254 ppm2 2.120 CV 1 ASSI { 2520} (( segid " " and resid 1029 and name HA )) (( segid " " and resid 1033 and name H )) 4.000 2.000 2.000 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.65158E-03 ppm1 4.027 ppm2 7.835 CV 1 ASSI { 44} (( segid " " and resid 962 and name HG2 )) (( segid " " and resid 962 and name HB2 )) 2.600 0.800 0.800 peak 44 spectrum 1 weight 0.10000E+01 volume 0.27273E-02 ppm1 2.482 ppm2 2.718 CV 1 ASSI { 2685} ( segid " " and resid 975 and name HB% ) (( segid " " and resid 976 and name H )) 2.500 0.800 0.800 peak 2685 spectrum 1 weight 0.10000E+01 volume 0.63813E-02 ppm1 1.461 ppm2 7.052 CV 1 ASSI { 1891} ( segid " " and resid 970 and name HG2%) (( segid " " and resid 967 and name HA )) 2.600 0.800 0.800 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.32714E-02 ppm1 0.917 ppm2 3.277 CV 1 ASSI { 3214} ( segid " " and resid 931 and name HG2%) (( segid " " and resid 1023 and name HB2 )) 3.000 1.100 1.100 peak 3214 spectrum 1 weight 0.10000E+01 volume 0.20353E-02 ppm1 0.959 ppm2 3.321 CV 1 ASSI { 1293} (( segid " " and resid 1007 and name HB3 )) ( segid " " and resid 952 and name HD1%) 3.200 1.300 1.300 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.13972E-02 ppm1 3.898 ppm2 0.827 CV 1 ASSI { 652} (( segid " " and resid 1040 and name HB2 )) ( segid " " and resid 913 and name HD2%) 3.300 1.400 1.400 peak 652 spectrum 1 weight 0.10000E+01 volume 0.12965E-02 ppm1 1.738 ppm2 0.782 CV 1 ASSI { 3269} (( segid " " and resid 999 and name HA )) (( segid " " and resid 999 and name HG2 )) 2.700 0.900 0.900 peak 3269 spectrum 1 weight 0.10000E+01 volume 0.26970E-02 ppm1 4.043 ppm2 1.354 CV 1 ASSI { 3430} ( segid " " and resid 963 and name HG2%) (( segid " " and resid 962 and name H )) 5.200 3.300 0.800 peak 3430 spectrum 1 weight 0.10000E+01 volume 0.54411E-03 ppm1 0.849 ppm2 7.471 CV 1 ASSI { 1832} (( segid " " and resid 962 and name HA )) (( segid " " and resid 962 and name H )) 2.600 0.800 0.800 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.34091E-02 ppm1 4.365 ppm2 7.469 CV 1 ASSI { 1362} ( segid " " and resid 966 and name HD1%) ( segid " " and resid 1034 and name HD2%) 2.500 0.800 0.800 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.49877E-02 ppm1 -0.046 ppm2 0.905 CV 1 ASSI { 1435} (( segid " " and resid 1027 and name HG )) (( segid " " and resid 1027 and name H )) 4.100 2.100 1.900 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.74228E-03 ppm1 1.362 ppm2 8.794 CV 1 ASSI { 2284} ( segid " " and resid 931 and name HG2%) (( segid " " and resid 1027 and name HB2 )) 3.600 1.600 1.600 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.91023E-03 ppm1 0.962 ppm2 1.897 CV 1 ASSI { 1104} (( segid " " and resid 931 and name HA )) ( segid " " and resid 1020 and name HD2%) 3.400 1.400 1.400 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.10815E-02 ppm1 3.806 ppm2 0.814 CV 1 ASSI { 1639} ( segid " " and resid 1011 and name HD1%) ( segid " " and resid 938 and name HB% ) 2.400 0.700 0.700 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.62838E-02 ppm1 0.610 ppm2 1.363 CV 1 ASSI { 552} (( segid " " and resid 950 and name HD2 )) (( segid " " and resid 953 and name H )) 3.900 1.900 1.900 peak 552 spectrum 1 weight 0.10000E+01 volume 0.48365E-03 ppm1 3.569 ppm2 7.921 CV 1 ASSI { 2243} (( segid " " and resid 962 and name HG2 )) (( segid " " and resid 959 and name HA )) 3.500 1.600 1.600 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.96057E-03 ppm1 2.486 ppm2 3.391 CV 1 ASSI { 2056} ( segid " " and resid 959 and name HG2%) (( segid " " and resid 1000 and name HB2 )) 2.200 0.600 0.600 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.53672E-02 ppm1 0.751 ppm2 1.744 CV 1 ASSI { 467} (( segid " " and resid 1042 and name HA )) (( segid " " and resid 1042 and name H )) 2.400 0.700 0.700 peak 467 spectrum 1 weight 0.10000E+01 volume 0.49977E-02 ppm1 4.111 ppm2 7.734 CV 1 ASSI { 1180} (( segid " " and resid 1012 and name HB2 )) (( segid " " and resid 1012 and name H )) 2.800 1.000 1.000 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.21025E-02 ppm1 1.923 ppm2 8.543 CV 1 ASSI { 2659} ( segid " " and resid 932 and name HD1%) (( segid " " and resid 932 and name H )) 3.500 1.600 1.600 peak 2659 spectrum 1 weight 0.10000E+01 volume 0.25291E-02 ppm1 0.827 ppm2 8.381 CV 1 ASSI { 2622} (( segid " " and resid 922 and name HB3 )) (( segid " " and resid 922 and name HG2 )) 2.400 0.700 0.700 peak 2622 spectrum 1 weight 0.10000E+01 volume 0.51455E-02 ppm1 1.838 ppm2 1.321 CV 1 OR { 2622} (( segid " " and resid 922 and name HB2 )) (( segid " " and resid 922 and name HG2 )) ASSI { 1880} (( segid " " and resid 916 and name HG3 )) (( segid " " and resid 916 and name HB2 )) 2.700 0.900 0.900 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.30665E-02 ppm1 1.548 ppm2 1.844 CV 1 OR { 1880} (( segid " " and resid 916 and name HG3 )) (( segid " " and resid 916 and name HB3 )) ASSI { 3083} (( segid " " and resid 971 and name HB2 )) (( segid " " and resid 972 and name HA2 )) 3.800 1.800 1.800 peak 3083 spectrum 1 weight 0.10000E+01 volume 0.86652E-03 ppm1 1.785 ppm2 3.803 CV 1 OR { 3083} (( segid " " and resid 971 and name HB3 )) (( segid " " and resid 972 and name HA3 )) OR { 3083} (( segid " " and resid 971 and name HB2 )) (( segid " " and resid 972 and name HA3 )) ASSI { 2911} (( segid " " and resid 978 and name HA )) (( segid " " and resid 978 and name HB2 )) 2.500 0.800 0.800 peak 2911 spectrum 1 weight 0.10000E+01 volume 0.63478E-02 ppm1 4.601 ppm2 2.691 CV 1 ASSI { 1976} ( segid " " and resid 952 and name HD1%) (( segid " " and resid 952 and name HG )) 2.200 0.600 0.600 peak 1976 spectrum 1 weight 0.10000E+01 volume 0.10751E-01 ppm1 0.831 ppm2 1.402 CV 1 OR { 1976} ( segid " " and resid 952 and name HD1%) (( segid " " and resid 952 and name HB3 )) ASSI { 648} (( segid " " and resid 913 and name HB2 )) (( segid " " and resid 914 and name H )) 3.100 1.200 1.200 peak 648 spectrum 1 weight 0.10000E+01 volume 0.98748E-03 ppm1 1.897 ppm2 8.003 CV 1 ASSI { 521} (( segid " " and resid 990 and name HB2 )) (( segid " " and resid 1034 and name HG )) 5.200 3.400 0.800 peak 521 spectrum 1 weight 0.10000E+01 volume 0.33587E-03 ppm1 4.127 ppm2 1.449 CV 1 ASSI { 1307} ( segid " " and resid 921 and name HB% ) (( segid " " and resid 922 and name HB2 )) 4.200 2.200 1.800 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.84303E-03 ppm1 1.169 ppm2 1.825 CV 1 OR { 1307} ( segid " " and resid 921 and name HB% ) (( segid " " and resid 922 and name HB3 )) ASSI { 3548} (( segid " " and resid 1000 and name HB3 )) (( segid " " and resid 1000 and name HA )) 3.400 1.500 1.500 peak 3548 spectrum 1 weight 0.10000E+01 volume 0.95388E-03 ppm1 2.311 ppm2 4.204 CV 1 ASSI { 2107} (( segid " " and resid 1043 and name HG3 )) (( segid " " and resid 1043 and name H )) 3.100 1.200 1.200 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.25996E-02 ppm1 2.425 ppm2 7.528 CV 1 ASSI { 1412} ( segid " " and resid 1001 and name HG2%) (( segid " " and resid 1000 and name H )) 3.800 1.800 1.800 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.10949E-02 ppm1 1.021 ppm2 7.748 CV 1 ASSI { 2050} ( segid " " and resid 935 and name HB% ) ( segid " " and resid 1000 and name HE% ) 3.000 1.100 1.100 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.29288E-02 ppm1 1.353 ppm2 1.976 CV 1 ASSI { 61} (( segid " " and resid 1035 and name HG3 )) (( segid " " and resid 1035 and name HB3 )) 3.400 1.400 1.400 peak 61 spectrum 1 weight 0.10000E+01 volume 0.13368E-02 ppm1 1.606 ppm2 2.032 CV 1 ASSI { 1706} (( segid " " and resid 1040 and name HG2 )) (( segid " " and resid 1040 and name HE2 )) 3.800 1.800 1.800 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.65493E-03 ppm1 1.568 ppm2 2.823 CV 1 ASSI { 286} (( segid " " and resid 1009 and name HA )) (( segid " " and resid 1009 and name HD3 )) 3.200 1.200 1.200 peak 286 spectrum 1 weight 0.10000E+01 volume 0.17331E-02 ppm1 4.449 ppm2 3.577 CV 1 OR { 286} (( segid " " and resid 1009 and name HA )) (( segid " " and resid 1009 and name HD2 )) ASSI { 3073} (( segid " " and resid 952 and name HG )) (( segid " " and resid 952 and name HB2 )) 2.700 0.900 0.900 peak 3073 spectrum 1 weight 0.10000E+01 volume 0.20286E-02 ppm1 1.405 ppm2 2.012 CV 1 ASSI { 2884} (( segid " " and resid 910 and name HB3 )) (( segid " " and resid 910 and name HD2 )) 4.000 2.000 2.000 peak 2884 spectrum 1 weight 0.10000E+01 volume 0.10580E-02 ppm1 1.694 ppm2 3.765 CV 1 ASSI { 1903} ( segid " " and resid 1003 and name HB% ) (( segid " " and resid 1003 and name HA )) 2.000 0.500 0.500 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.17126E-01 ppm1 1.322 ppm2 4.053 CV 1 ASSI { 647} ( segid " " and resid 1010 and name HG2%) (( segid " " and resid 1011 and name H )) 3.800 1.800 1.800 peak 647 spectrum 1 weight 0.10000E+01 volume 0.14006E-02 ppm1 1.179 ppm2 7.302 CV 1 ASSI { 2950} ( segid " " and resid 932 and name HG2%) ( segid " " and resid 933 and name HB% ) 3.500 1.500 1.500 peak 2950 spectrum 1 weight 0.10000E+01 volume 0.17801E-02 ppm1 0.850 ppm2 1.429 CV 1 ASSI { 3532} ( segid " " and resid 1038 and name HB% ) (( segid " " and resid 991 and name HE22)) 4.000 2.000 2.000 peak 3532 spectrum 1 weight 0.10000E+01 volume 0.11050E-02 ppm1 1.396 ppm2 6.594 CV 1 ASSI { 1686} (( segid " " and resid 983 and name HA )) (( segid " " and resid 984 and name H )) 3.300 1.400 1.400 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.11655E-02 ppm1 3.862 ppm2 8.313 CV 1 ASSI { 2966} ( segid " " and resid 1011 and name HG2%) (( segid " " and resid 1017 and name HA )) 2.900 1.100 1.100 peak 2966 spectrum 1 weight 0.10000E+01 volume 0.33889E-02 ppm1 0.950 ppm2 3.849 CV 1 ASSI { 1992} ( segid " " and resid 967 and name HG1%) ( segid " " and resid 925 and name HB% ) 3.600 1.600 1.600 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.22738E-02 ppm1 0.792 ppm2 1.231 CV 1 ASSI { 2376} (( segid " " and resid 925 and name HA )) (( segid " " and resid 993 and name HZ )) 3.100 1.200 1.200 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.11991E-02 ppm1 3.721 ppm2 6.768 CV 1 ASSI { 2178} (( segid " " and resid 1040 and name HG2 )) (( segid " " and resid 1040 and name HB2 )) 3.000 1.100 1.100 peak 2178 spectrum 1 weight 0.10000E+01 volume 0.30161E-02 ppm1 1.569 ppm2 1.732 CV 1 ASSI { 2849} ( segid " " and resid 966 and name HD2%) (( segid " " and resid 990 and name HB2 )) 3.900 1.900 1.900 peak 2849 spectrum 1 weight 0.10000E+01 volume 0.10479E-02 ppm1 0.489 ppm2 4.138 CV 1 ASSI { 2230} ( segid " " and resid 970 and name HG1%) (( segid " " and resid 974 and name HE21)) 3.000 1.100 1.100 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.15652E-02 ppm1 0.726 ppm2 7.393 CV 1 ASSI { 1928} (( segid " " and resid 1040 and name HB2 )) (( segid " " and resid 1040 and name HA )) 3.000 1.100 1.100 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.24619E-02 ppm1 1.732 ppm2 3.967 CV 1 ASSI { 846} (( segid " " and resid 959 and name HB )) (( segid " " and resid 959 and name H )) 2.600 0.800 0.800 peak 846 spectrum 1 weight 0.10000E+01 volume 0.32244E-02 ppm1 2.058 ppm2 7.553 CV 1 ASSI { 2188} (( segid " " and resid 1007 and name HB3 )) (( segid " " and resid 1009 and name HD2 )) 3.900 1.900 1.900 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.12730E-02 ppm1 3.911 ppm2 3.573 CV 1 OR { 2188} (( segid " " and resid 1007 and name HB3 )) (( segid " " and resid 1009 and name HD3 )) ASSI { 1281} (( segid " " and resid 1043 and name HA )) (( segid " " and resid 1043 and name HB2 )) 2.600 0.900 0.900 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.43260E-02 ppm1 4.162 ppm2 1.927 CV 1 ASSI { 3177} ( segid " " and resid 1030 and name HB% ) (( segid " " and resid 928 and name H )) 3.200 3.200 2.800 peak 3177 spectrum 1 weight 0.10000E+01 volume 0.59113E-03 ppm1 1.511 ppm2 8.952 CV 1 ASSI { 2397} (( segid " " and resid 915 and name HG3 )) (( segid " " and resid 915 and name HE22)) 3.600 1.600 1.600 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.18775E-02 ppm1 2.233 ppm2 6.768 CV 1 OR { 2397} (( segid " " and resid 915 and name HG2 )) (( segid " " and resid 915 and name HE22)) ASSI { 658} ( segid " " and resid 926 and name HB% ) (( segid " " and resid 926 and name H )) 2.000 0.500 0.500 peak 658 spectrum 1 weight 0.10000E+01 volume 0.17267E-01 ppm1 1.421 ppm2 7.903 CV 1 ASSI { 1430} ( segid " " and resid 931 and name HG2%) ( segid " " and resid 1004 and name HB% ) 2.700 0.900 0.900 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.32479E-02 ppm1 0.960 ppm2 1.277 CV 1 ASSI { 2783} (( segid " " and resid 946 and name HA )) (( segid " " and resid 947 and name H )) 2.800 1.000 1.000 peak 2783 spectrum 1 weight 0.10000E+01 volume 0.31572E-02 ppm1 4.394 ppm2 8.094 CV 1 ASSI { 166} ( segid " " and resid 966 and name HD2%) (( segid " " and resid 966 and name HG )) 2.200 0.600 0.600 peak 166 spectrum 1 weight 0.10000E+01 volume 0.78055E-02 ppm1 0.490 ppm2 1.101 CV 1 ASSI { 959} ( segid " " and resid 935 and name HB% ) (( segid " " and resid 935 and name H )) 2.200 0.600 0.600 peak 959 spectrum 1 weight 0.10000E+01 volume 0.10607E-01 ppm1 1.353 ppm2 8.791 CV 1 ASSI { 2019} ( segid " " and resid 928 and name HB% ) (( segid " " and resid 929 and name H )) 2.500 0.800 0.800 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.40674E-02 ppm1 1.648 ppm2 8.339 CV 1 ASSI { 1966} ( segid " " and resid 931 and name HG2%) ( segid " " and resid 928 and name HB% ) 4.400 2.400 1.600 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.62809E-03 ppm1 0.959 ppm2 1.645 CV 1 ASSI { 2449} (( segid " " and resid 982 and name HA )) (( segid " " and resid 982 and name H )) 2.700 0.900 0.900 peak 2449 spectrum 1 weight 0.10000E+01 volume 0.33117E-02 ppm1 4.091 ppm2 8.058 CV 1 ASSI { 1753} ( segid " " and resid 934 and name HB% ) (( segid " " and resid 1023 and name HB2 )) 3.100 1.200 1.200 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.12998E-02 ppm1 1.518 ppm2 3.327 CV 1 ASSI { 1415} ( segid " " and resid 1001 and name HG2%) (( segid " " and resid 1027 and name HB2 )) 3.600 1.600 1.600 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.27373E-02 ppm1 1.021 ppm2 1.891 CV 1 ASSI { 1294} ( segid " " and resid 960 and name HB% ) (( segid " " and resid 960 and name H )) 2.100 0.600 0.600 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.13478E-01 ppm1 1.500 ppm2 8.669 CV 1 ASSI { 1093} (( segid " " and resid 1028 and name HA2 )) (( segid " " and resid 1028 and name H )) 2.900 1.000 1.000 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.36207E-02 ppm1 3.704 ppm2 8.587 CV 1 ASSI { 2957} ( segid " " and resid 966 and name HD2%) (( segid " " and resid 993 and name HZ )) 4.600 2.600 1.400 peak 2957 spectrum 1 weight 0.10000E+01 volume 0.28885E-03 ppm1 0.490 ppm2 6.771 CV 1 ASSI { 1994} (( segid " " and resid 1001 and name HA )) (( segid " " and resid 1005 and name H )) 3.800 1.800 1.800 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.51724E-03 ppm1 3.275 ppm2 8.232 CV 1 ASSI { 2496} (( segid " " and resid 974 and name HA )) (( segid " " and resid 976 and name H )) 3.800 1.800 1.800 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.63478E-03 ppm1 3.949 ppm2 7.051 CV 1 ASSI { 3184} ( segid " " and resid 970 and name HG1%) (( segid " " and resid 970 and name H )) 3.400 1.500 1.500 peak 3184 spectrum 1 weight 0.10000E+01 volume 0.30900E-02 ppm1 0.727 ppm2 8.054 CV 1 ASSI { 1775} ( segid " " and resid 1006 and name HB% ) (( segid " " and resid 1005 and name HB2 )) 2.700 0.900 0.900 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.39532E-02 ppm1 1.414 ppm2 1.801 CV 1 OR { 1775} ( segid " " and resid 1006 and name HB% ) (( segid " " and resid 1005 and name HB3 )) ASSI { 1383} (( segid " " and resid 1006 and name HA )) (( segid " " and resid 1006 and name H )) 2.500 0.800 0.800 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.50616E-02 ppm1 4.122 ppm2 7.795 CV 1 ASSI { 2722} (( segid " " and resid 977 and name HG2 )) (( segid " " and resid 978 and name H )) 3.200 1.300 1.300 peak 2722 spectrum 1 weight 0.10000E+01 volume 0.92697E-03 ppm1 1.912 ppm2 8.367 CV 1 ASSI { 438} (( segid " " and resid 1029 and name HB )) (( segid " " and resid 1030 and name H )) 2.600 0.800 0.800 peak 438 spectrum 1 weight 0.10000E+01 volume 0.36845E-02 ppm1 4.251 ppm2 8.277 CV 1 ASSI { 97} (( segid " " and resid 914 and name HB )) (( segid " " and resid 915 and name H )) 3.200 1.200 1.200 peak 97 spectrum 1 weight 0.10000E+01 volume 0.18640E-02 ppm1 1.912 ppm2 7.788 CV 1 ASSI { 3529} (( segid " " and resid 992 and name HA )) (( segid " " and resid 994 and name H )) 3.800 1.800 1.800 peak 3529 spectrum 1 weight 0.10000E+01 volume 0.63478E-03 ppm1 4.197 ppm2 7.241 CV 1 ASSI { 2605} ( segid " " and resid 959 and name HG1%) (( segid " " and resid 928 and name H )) 4.500 2.500 1.500 peak 2605 spectrum 1 weight 0.10000E+01 volume 0.10378E-02 ppm1 0.849 ppm2 8.949 CV 1 ASSI { 2888} ( segid " " and resid 1032 and name HB% ) (( segid " " and resid 1031 and name H )) 4.000 2.000 2.000 peak 2888 spectrum 1 weight 0.10000E+01 volume 0.12058E-02 ppm1 1.552 ppm2 9.203 CV 1 ASSI { 2831} ( segid " " and resid 966 and name HD1%) (( segid " " and resid 966 and name HB2 )) 2.400 0.700 0.700 peak 2831 spectrum 1 weight 0.10000E+01 volume 0.55486E-02 ppm1 -0.046 ppm2 1.325 CV 1 ASSI { 991} ( segid " " and resid 966 and name HD1%) ( segid " " and resid 989 and name HB% ) 3.500 1.600 1.600 peak 991 spectrum 1 weight 0.10000E+01 volume 0.19749E-02 ppm1 -0.045 ppm2 1.400 CV 1 ASSI { 3235} ( segid " " and resid 1011 and name HG2%) (( segid " " and resid 1008 and name HA )) 4.400 2.400 1.600 peak 3235 spectrum 1 weight 0.10000E+01 volume 0.85313E-03 ppm1 0.950 ppm2 3.637 CV 1 ASSI { 221} (( segid " " and resid 999 and name HE2 )) (( segid " " and resid 995 and name HA )) 3.800 1.800 1.800 peak 221 spectrum 1 weight 0.10000E+01 volume 0.58442E-03 ppm1 2.832 ppm2 4.303 CV 1 OR { 221} (( segid " " and resid 999 and name HE3 )) (( segid " " and resid 995 and name HA )) ASSI { 687} (( segid " " and resid 914 and name HA )) (( segid " " and resid 917 and name HB2 )) 2.700 0.900 0.900 peak 687 spectrum 1 weight 0.10000E+01 volume 0.22738E-02 ppm1 3.462 ppm2 2.171 CV 1 ASSI { 1549} ( segid " " and resid 965 and name HD2%) (( segid " " and resid 965 and name H )) 3.300 1.400 1.400 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.40103E-02 ppm1 0.836 ppm2 6.859 CV 1 ASSI { 111} (( segid " " and resid 999 and name HA )) (( segid " " and resid 999 and name HD3 )) 4.100 2.100 1.900 peak 111 spectrum 1 weight 0.10000E+01 volume 0.90013E-03 ppm1 4.044 ppm2 1.574 CV 1 ASSI { 1650} (( segid " " and resid 1005 and name HD3 )) (( segid " " and resid 1005 and name HA )) 4.100 2.100 1.900 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.10446E-02 ppm1 1.586 ppm2 3.779 CV 1 OR { 1650} (( segid " " and resid 1005 and name HD2 )) (( segid " " and resid 1005 and name HA )) ASSI { 2001} (( segid " " and resid 1035 and name HD3 )) (( segid " " and resid 1032 and name HA )) 3.400 1.500 1.500 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.56762E-03 ppm1 3.198 ppm2 4.134 CV 1 OR { 2001} (( segid " " and resid 1035 and name HD2 )) (( segid " " and resid 1032 and name HA )) ASSI { 405} (( segid " " and resid 1026 and name HB3 )) (( segid " " and resid 1026 and name HD21)) 3.100 1.200 1.200 peak 405 spectrum 1 weight 0.10000E+01 volume 0.16021E-02 ppm1 2.858 ppm2 7.697 CV 1 ASSI { 501} (( segid " " and resid 943 and name HA )) (( segid " " and resid 943 and name HB3 )) 2.700 0.900 0.900 peak 501 spectrum 1 weight 0.10000E+01 volume 0.24350E-02 ppm1 4.248 ppm2 1.732 CV 1 ASSI { 211} (( segid " " and resid 979 and name HB2 )) (( segid " " and resid 982 and name H )) 4.100 2.100 1.900 peak 211 spectrum 1 weight 0.10000E+01 volume 0.63143E-03 ppm1 4.093 ppm2 8.062 CV 1 ASSI { 69} ( segid " " and resid 946 and name HB% ) (( segid " " and resid 946 and name H )) 2.800 1.000 1.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.32579E-02 ppm1 1.371 ppm2 8.116 CV 1 ASSI { 1681} (( segid " " and resid 942 and name HB2 )) (( segid " " and resid 942 and name HD2 )) 3.900 1.900 1.900 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.10412E-02 ppm1 2.240 ppm2 3.750 CV 1 ASSI { 3141} (( segid " " and resid 991 and name HG2 )) (( segid " " and resid 991 and name HG3 )) 1.800 0.400 0.400 peak 3141 spectrum 1 weight 0.10000E+01 volume 0.11356E-01 ppm1 2.266 ppm2 2.504 CV 1 ASSI { 1466} ( segid " " and resid 952 and name HD2%) (( segid " " and resid 953 and name H )) 3.900 1.900 1.900 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.81277E-03 ppm1 0.705 ppm2 7.926 CV 1 ASSI { 2933} (( segid " " and resid 911 and name HB3 )) (( segid " " and resid 912 and name H )) 3.100 1.200 1.200 peak 2933 spectrum 1 weight 0.10000E+01 volume 0.12562E-02 ppm1 2.980 ppm2 8.245 CV 1 ASSI { 3130} (( segid " " and resid 980 and name HD2 )) (( segid " " and resid 979 and name HA )) 2.500 0.800 0.800 peak 3130 spectrum 1 weight 0.10000E+01 volume 0.47358E-02 ppm1 4.238 ppm2 4.924 CV 1 ASSI { 585} (( segid " " and resid 1027 and name HA )) (( segid " " and resid 1027 and name H )) 2.800 1.000 1.000 peak 585 spectrum 1 weight 0.10000E+01 volume 0.21193E-02 ppm1 4.323 ppm2 8.796 CV 1 ASSI { 1829} ( segid " " and resid 933 and name HB% ) (( segid " " and resid 930 and name HB3 )) 3.600 1.700 1.700 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.10110E-02 ppm1 1.396 ppm2 2.207 CV 1 ASSI { 123} ( segid " " and resid 1027 and name HD2%) ( segid " " and resid 1027 and name HD1%) 2.100 0.500 0.500 peak 123 spectrum 1 weight 0.10000E+01 volume 0.13270E-01 ppm1 0.821 ppm2 0.936 CV 1 ASSI { 1397} (( segid " " and resid 942 and name HA )) (( segid " " and resid 942 and name HB3 )) 2.400 0.700 0.700 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.45477E-02 ppm1 4.350 ppm2 1.854 CV 1 ASSI { 3271} ( segid " " and resid 970 and name HG2%) (( segid " " and resid 921 and name H )) 3.900 1.900 1.900 peak 3271 spectrum 1 weight 0.10000E+01 volume 0.11688E-02 ppm1 0.917 ppm2 9.022 CV 1 ASSI { 3336} (( segid " " and resid 909 and name HA )) (( segid " " and resid 909 and name H )) 2.800 1.000 1.000 peak 3336 spectrum 1 weight 0.10000E+01 volume 0.24149E-02 ppm1 4.768 ppm2 8.350 CV 1 ASSI { 1959} (( segid " " and resid 1019 and name HG3 )) (( segid " " and resid 1016 and name HA )) 3.600 1.600 1.600 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.19581E-02 ppm1 2.364 ppm2 4.217 CV 1 OR { 1959} (( segid " " and resid 1019 and name HG2 )) (( segid " " and resid 1016 and name HA )) ASSI { 1812} (( segid " " and resid 962 and name HG2 )) (( segid " " and resid 962 and name H )) 2.600 0.900 0.900 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.25795E-02 ppm1 2.481 ppm2 7.468 CV 1 ASSI { 3052} (( segid " " and resid 982 and name HA )) (( segid " " and resid 981 and name HB2 )) 3.800 1.800 1.800 peak 3052 spectrum 1 weight 0.10000E+01 volume 0.58777E-03 ppm1 4.097 ppm2 3.787 CV 1 OR { 3052} (( segid " " and resid 982 and name HA )) (( segid " " and resid 981 and name HB3 )) ASSI { 1739} (( segid " " and resid 983 and name HA )) ( segid " " and resid 982 and name HB% ) 3.600 1.600 1.600 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.80273E-03 ppm1 3.861 ppm2 1.459 CV 1 ASSI { 3044} (( segid " " and resid 1042 and name HA )) (( segid " " and resid 1044 and name H )) 3.600 1.700 1.700 peak 3044 spectrum 1 weight 0.10000E+01 volume 0.65158E-03 ppm1 4.111 ppm2 7.312 CV 1 ASSI { 986} (( segid " " and resid 987 and name HA )) (( segid " " and resid 987 and name H )) 2.800 1.000 1.000 peak 986 spectrum 1 weight 0.10000E+01 volume 0.20891E-02 ppm1 3.361 ppm2 8.442 CV 1 ASSI { 3116} (( segid " " and resid 1040 and name HG2 )) (( segid " " and resid 1040 and name HE3 )) 4.200 2.200 1.800 peak 3116 spectrum 1 weight 0.10000E+01 volume 0.51724E-03 ppm1 1.569 ppm2 2.882 CV 1 ASSI { 3171} (( segid " " and resid 943 and name HB3 )) (( segid " " and resid 943 and name H )) 3.700 1.700 1.700 peak 3171 spectrum 1 weight 0.10000E+01 volume 0.96057E-03 ppm1 1.732 ppm2 8.340 CV 1 ASSI { 682} ( segid " " and resid 959 and name HG2%) ( segid " " and resid 993 and name HD% ) 4.200 2.200 1.800 peak 682 spectrum 1 weight 0.10000E+01 volume 0.55419E-03 ppm1 0.748 ppm2 7.000 CV 1 ASSI { 808} (( segid " " and resid 932 and name HA )) (( segid " " and resid 932 and name HG13)) 2.700 0.900 0.900 peak 808 spectrum 1 weight 0.10000E+01 volume 0.38826E-02 ppm1 3.696 ppm2 1.821 CV 1 ASSI { 3449} (( segid " " and resid 969 and name HA2 )) ( segid " " and resid 986 and name HD2%) 4.200 2.200 1.800 peak 3449 spectrum 1 weight 0.10000E+01 volume 0.77588E-03 ppm1 3.806 ppm2 0.671 CV 1 ASSI { 3084} (( segid " " and resid 928 and name HA )) ( segid " " and resid 1027 and name HD1%) 2.600 0.800 0.800 peak 3084 spectrum 1 weight 0.10000E+01 volume 0.33553E-02 ppm1 4.045 ppm2 0.935 CV 1 ASSI { 1045} ( segid " " and resid 1032 and name HB% ) (( segid " " and resid 1029 and name H )) 3.200 1.300 1.300 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.59113E-03 ppm1 1.553 ppm2 8.081 CV 1 ASSI { 2696} ( segid " " and resid 932 and name HG2%) (( segid " " and resid 936 and name HE22)) 3.300 1.300 1.300 peak 2696 spectrum 1 weight 0.10000E+01 volume 0.15417E-02 ppm1 0.851 ppm2 6.677 CV 1 ASSI { 779} (( segid " " and resid 910 and name HA )) (( segid " " and resid 910 and name HD2 )) 3.500 1.500 1.500 peak 779 spectrum 1 weight 0.10000E+01 volume 0.12965E-02 ppm1 4.216 ppm2 3.765 CV 1 ASSI { 792} (( segid " " and resid 1042 and name HG3 )) ( segid " " and resid 987 and name HD1%) 3.300 1.300 1.300 peak 792 spectrum 1 weight 0.10000E+01 volume 0.15181E-02 ppm1 2.343 ppm2 0.709 CV 1 ASSI { 2059} ( segid " " and resid 913 and name HD2%) (( segid " " and resid 1040 and name HE3 )) 3.700 1.700 1.700 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.61463E-03 ppm1 0.786 ppm2 2.884 CV 1 ASSI { 944} (( segid " " and resid 909 and name HA )) (( segid " " and resid 909 and name HB2 )) 2.700 0.900 0.900 peak 944 spectrum 1 weight 0.10000E+01 volume 0.35199E-02 ppm1 4.767 ppm2 2.679 CV 1 ASSI { 2644} ( segid " " and resid 1031 and name HD2%) (( segid " " and resid 1031 and name HB3 )) 2.300 0.600 0.600 peak 2644 spectrum 1 weight 0.10000E+01 volume 0.60489E-02 ppm1 0.944 ppm2 1.465 CV 1 ASSI { 3508} ( segid " " and resid 1011 and name HD1%) (( segid " " and resid 1017 and name H )) 3.900 1.900 1.900 peak 3508 spectrum 1 weight 0.10000E+01 volume 0.61128E-03 ppm1 0.611 ppm2 8.473 CV 1 ASSI { 1490} ( segid " " and resid 1034 and name HD1%) ( segid " " and resid 921 and name HB% ) 2.500 0.800 0.800 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.60190E-02 ppm1 0.821 ppm2 1.179 CV 1 ASSI { 448} (( segid " " and resid 927 and name HB3 )) ( segid " " and resid 926 and name HB% ) 3.100 3.100 2.900 peak 448 spectrum 1 weight 0.10000E+01 volume 0.71203E-03 ppm1 3.757 ppm2 1.422 CV 1 ASSI { 2968} (( segid " " and resid 960 and name HA )) ( segid " " and resid 960 and name HB% ) 2.200 0.600 0.600 peak 2968 spectrum 1 weight 0.10000E+01 volume 0.10876E-01 ppm1 3.927 ppm2 1.500 CV 1 ASSI { 3398} (( segid " " and resid 914 and name HA )) ( segid " " and resid 1041 and name HB% ) 3.000 1.100 1.100 peak 3398 spectrum 1 weight 0.10000E+01 volume 0.16760E-02 ppm1 3.463 ppm2 1.305 CV 1 ASSI { 1643} (( segid " " and resid 1019 and name HG2 )) (( segid " " and resid 1019 and name HA )) 2.400 0.700 0.700 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.71609E-02 ppm1 2.365 ppm2 4.149 CV 1 OR { 1643} (( segid " " and resid 1019 and name HG3 )) (( segid " " and resid 1019 and name HA )) ASSI { 2232} (( segid " " and resid 1011 and name HB )) (( segid " " and resid 1017 and name HA )) 3.600 1.600 1.600 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.70198E-03 ppm1 1.844 ppm2 3.849 CV 1 ASSI { 631} (( segid " " and resid 1043 and name HG2 )) (( segid " " and resid 1043 and name H )) 2.800 1.000 1.000 peak 631 spectrum 1 weight 0.10000E+01 volume 0.14039E-02 ppm1 2.227 ppm2 7.529 CV 1 ASSI { 765} (( segid " " and resid 927 and name HB2 )) (( segid " " and resid 928 and name H )) 3.300 1.300 1.300 peak 765 spectrum 1 weight 0.10000E+01 volume 0.17365E-02 ppm1 3.875 ppm2 8.953 CV 1 ASSI { 6} (( segid " " and resid 977 and name HG3 )) (( segid " " and resid 977 and name HD2 )) 3.100 1.200 1.200 peak 6 spectrum 1 weight 0.10000E+01 volume 0.20689E-02 ppm1 1.860 ppm2 3.329 CV 1 ASSI { 2484} (( segid " " and resid 1011 and name HA )) (( segid " " and resid 1011 and name HG12)) 2.900 1.000 1.000 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.16794E-02 ppm1 3.963 ppm2 1.122 CV 1 ASSI { 1793} (( segid " " and resid 1041 and name HA )) ( segid " " and resid 1041 and name HB% ) 2.200 0.600 0.600 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.10966E-01 ppm1 4.037 ppm2 1.307 CV 1 ASSI { 182} (( segid " " and resid 987 and name HB )) (( segid " " and resid 987 and name HG12)) 3.500 1.500 1.500 peak 182 spectrum 1 weight 0.10000E+01 volume 0.95388E-03 ppm1 1.867 ppm2 1.725 CV 1 ASSI { 1438} ( segid " " and resid 986 and name HD1%) (( segid " " and resid 973 and name HB3 )) 3.400 1.500 1.500 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.94718E-03 ppm1 0.857 ppm2 3.945 CV 1 ASSI { 878} (( segid " " and resid 927 and name HB3 )) (( segid " " and resid 927 and name H )) 2.700 0.900 0.900 peak 878 spectrum 1 weight 0.10000E+01 volume 0.36543E-02 ppm1 3.757 ppm2 8.507 CV 1 ASSI { 194} ( segid " " and resid 1020 and name HD1%) ( segid " " and resid 1008 and name HG2%) 2.500 0.800 0.800 peak 194 spectrum 1 weight 0.10000E+01 volume 0.59247E-02 ppm1 0.756 ppm2 1.097 CV 1 ASSI { 977} ( segid " " and resid 921 and name HB% ) (( segid " " and resid 917 and name HA )) 3.500 1.500 1.500 peak 977 spectrum 1 weight 0.10000E+01 volume 0.82623E-03 ppm1 1.170 ppm2 4.041 CV 1 ASSI { 1605} ( segid " " and resid 966 and name HD1%) (( segid " " and resid 921 and name H )) 4.100 2.100 1.900 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.72883E-03 ppm1 -0.046 ppm2 9.024 CV 1 ASSI { 3371} ( segid " " and resid 913 and name HD1%) (( segid " " and resid 1044 and name H )) 4.200 2.200 1.800 peak 3371 spectrum 1 weight 0.10000E+01 volume 0.74563E-03 ppm1 0.866 ppm2 7.310 CV 1 ASSI { 43} (( segid " " and resid 1014 and name HB2 )) (( segid " " and resid 1014 and name H )) 2.500 0.800 0.800 peak 43 spectrum 1 weight 0.10000E+01 volume 0.49104E-02 ppm1 2.064 ppm2 8.898 CV 1 OR { 43} (( segid " " and resid 1014 and name HB3 )) (( segid " " and resid 1014 and name H )) ASSI { 3042} ( segid " " and resid 914 and name HG2%) (( segid " " and resid 915 and name HA )) 3.000 1.100 1.100 peak 3042 spectrum 1 weight 0.10000E+01 volume 0.20622E-02 ppm1 0.798 ppm2 3.852 CV 1 ASSI { 51} ( segid " " and resid 1037 and name HB% ) (( segid " " and resid 1038 and name H )) 2.600 0.800 0.800 peak 51 spectrum 1 weight 0.10000E+01 volume 0.48567E-02 ppm1 1.320 ppm2 8.725 CV 1 ASSI { 1445} (( segid " " and resid 961 and name HG3 )) (( segid " " and resid 961 and name H )) 3.200 1.300 1.300 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.22805E-02 ppm1 2.262 ppm2 7.463 CV 1 ASSI { 1874} (( segid " " and resid 1000 and name HG3 )) (( segid " " and resid 1000 and name HG2 )) 2.000 0.500 0.500 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.81379E-02 ppm1 2.171 ppm2 2.320 CV 1 ASSI { 2469} ( segid " " and resid 1038 and name HB% ) (( segid " " and resid 1041 and name H )) 4.100 2.100 1.900 peak 2469 spectrum 1 weight 0.10000E+01 volume 0.68184E-03 ppm1 1.386 ppm2 7.621 CV 1 ASSI { 400} ( segid " " and resid 1036 and name HG2%) (( segid " " and resid 1040 and name H )) 3.600 1.600 1.600 peak 400 spectrum 1 weight 0.10000E+01 volume 0.99417E-03 ppm1 1.197 ppm2 8.325 CV 1 ASSI { 1136} (( segid " " and resid 927 and name HB2 )) (( segid " " and resid 1027 and name HA )) 3.400 1.500 1.500 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.12226E-02 ppm1 3.875 ppm2 4.323 CV 1 ASSI { 616} ( segid " " and resid 970 and name HG1%) (( segid " " and resid 974 and name HB3 )) 4.200 2.200 1.800 peak 616 spectrum 1 weight 0.10000E+01 volume 0.86652E-03 ppm1 0.726 ppm2 2.023 CV 1 ASSI { 596} (( segid " " and resid 1042 and name HG2 )) ( segid " " and resid 987 and name HD1%) 3.900 1.900 1.900 peak 596 spectrum 1 weight 0.10000E+01 volume 0.15215E-02 ppm1 2.427 ppm2 0.709 CV 1 ASSI { 723} ( segid " " and resid 963 and name HG2%) (( segid " " and resid 966 and name HB3 )) 4.300 2.300 1.700 peak 723 spectrum 1 weight 0.10000E+01 volume 0.88333E-03 ppm1 0.846 ppm2 1.586 CV 1 ASSI { 2003} (( segid " " and resid 1044 and name HA )) (( segid " " and resid 1044 and name H )) 2.400 0.700 0.700 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.77654E-02 ppm1 3.955 ppm2 7.312 CV 1 ASSI { 463} (( segid " " and resid 958 and name HA )) (( segid " " and resid 958 and name H )) 2.500 0.800 0.800 peak 463 spectrum 1 weight 0.10000E+01 volume 0.54848E-02 ppm1 4.152 ppm2 7.562 CV 1 ASSI { 3192} (( segid " " and resid 922 and name HA )) (( segid " " and resid 926 and name H )) 3.400 1.500 1.500 peak 3192 spectrum 1 weight 0.10000E+01 volume 0.81277E-03 ppm1 3.692 ppm2 7.898 CV 1 ASSI { 445} (( segid " " and resid 1034 and name HB3 )) (( segid " " and resid 1034 and name HB2 )) 2.200 0.600 0.600 peak 445 spectrum 1 weight 0.10000E+01 volume 0.24350E-02 ppm1 1.226 ppm2 2.199 CV 1 ASSI { 225} (( segid " " and resid 1010 and name HB )) ( segid " " and resid 1010 and name HG2%) 2.500 0.800 0.800 peak 225 spectrum 1 weight 0.10000E+01 volume 0.51892E-02 ppm1 4.426 ppm2 1.177 CV 1 ASSI { 727} ( segid " " and resid 1034 and name HD2%) (( segid " " and resid 1035 and name H )) 3.000 1.200 1.200 peak 727 spectrum 1 weight 0.10000E+01 volume 0.75574E-03 ppm1 0.897 ppm2 8.522 CV 1 ASSI { 800} (( segid " " and resid 996 and name HD3 )) (( segid " " and resid 997 and name H )) 4.000 2.000 2.000 peak 800 spectrum 1 weight 0.10000E+01 volume 0.95722E-03 ppm1 3.491 ppm2 7.839 CV 1 ASSI { 2804} (( segid " " and resid 1013 and name HB2 )) (( segid " " and resid 1016 and name HB3 )) 3.600 1.600 1.600 peak 2804 spectrum 1 weight 0.10000E+01 volume 0.99083E-03 ppm1 2.625 ppm2 3.727 CV 1 OR { 2804} (( segid " " and resid 1013 and name HB3 )) (( segid " " and resid 1016 and name HB3 )) ASSI { 1034} (( segid " " and resid 996 and name HA )) (( segid " " and resid 996 and name HD2 )) 3.400 1.400 1.400 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.12998E-02 ppm1 4.167 ppm2 4.060 CV 1 ASSI { 3475} (( segid " " and resid 949 and name HG2 )) (( segid " " and resid 949 and name HE21)) 2.600 0.900 0.900 peak 3475 spectrum 1 weight 0.10000E+01 volume 0.36610E-02 ppm1 2.307 ppm2 7.372 CV 1 OR { 3475} (( segid " " and resid 949 and name HG3 )) (( segid " " and resid 949 and name HE21)) ASSI { 199} (( segid " " and resid 994 and name HG )) (( segid " " and resid 1035 and name HB3 )) 5.200 3.400 0.800 peak 199 spectrum 1 weight 0.10000E+01 volume 0.61128E-03 ppm1 2.316 ppm2 2.044 CV 1 ASSI { 1730} (( segid " " and resid 983 and name HA )) (( segid " " and resid 983 and name H )) 2.700 0.900 0.900 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.29422E-02 ppm1 3.859 ppm2 7.788 CV 1 ASSI { 623} (( segid " " and resid 1001 and name HA )) (( segid " " and resid 1002 and name H )) 3.300 1.300 1.300 peak 623 spectrum 1 weight 0.10000E+01 volume 0.12192E-02 ppm1 3.279 ppm2 7.631 CV 1 ASSI { 917} ( segid " " and resid 1011 and name HG2%) (( segid " " and resid 938 and name HA )) 3.400 1.400 1.400 peak 917 spectrum 1 weight 0.10000E+01 volume 0.12192E-02 ppm1 0.950 ppm2 4.041 CV 1 ASSI { 3295} (( segid " " and resid 1022 and name HA )) (( segid " " and resid 1026 and name H )) 3.200 1.300 1.300 peak 3295 spectrum 1 weight 0.10000E+01 volume 0.13737E-02 ppm1 4.001 ppm2 8.122 CV 1 ASSI { 2857} ( segid " " and resid 970 and name HG2%) (( segid " " and resid 918 and name HG2 )) 3.500 1.500 1.500 peak 2857 spectrum 1 weight 0.10000E+01 volume 0.11588E-02 ppm1 0.917 ppm2 1.935 CV 1 ASSI { 3517} ( segid " " and resid 1008 and name HG1%) (( segid " " and resid 1008 and name H )) 3.400 1.500 1.500 peak 3517 spectrum 1 weight 0.10000E+01 volume 0.29019E-02 ppm1 0.898 ppm2 7.530 CV 1 ASSI { 1087} (( segid " " and resid 1026 and name HA )) (( segid " " and resid 1025 and name HA )) 3.800 1.800 1.800 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.65493E-03 ppm1 4.413 ppm2 4.015 CV 1 ASSI { 2997} ( segid " " and resid 913 and name HD2%) (( segid " " and resid 913 and name HB2 )) 3.300 1.300 1.300 peak 2997 spectrum 1 weight 0.10000E+01 volume 0.39196E-02 ppm1 0.784 ppm2 1.896 CV 1 ASSI { 150} ( segid " " and resid 928 and name HB% ) (( segid " " and resid 959 and name HB )) 4.100 2.200 1.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.72213E-03 ppm1 1.647 ppm2 2.057 CV 1 ASSI { 1561} (( segid " " and resid 1013 and name HB2 )) (( segid " " and resid 1016 and name HB2 )) 3.000 1.100 1.100 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.16055E-02 ppm1 2.619 ppm2 3.949 CV 1 OR { 1561} (( segid " " and resid 1013 and name HB3 )) (( segid " " and resid 1016 and name HB2 )) ASSI { 1205} (( segid " " and resid 979 and name HB3 )) ( segid " " and resid 982 and name HB% ) 2.800 1.000 1.000 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.21495E-02 ppm1 3.854 ppm2 1.456 CV 1 ASSI { 2015} (( segid " " and resid 967 and name HB )) (( segid " " and resid 967 and name H )) 2.400 0.700 0.700 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.51254E-02 ppm1 1.940 ppm2 8.211 CV 1 ASSI { 1501} (( segid " " and resid 916 and name HA )) (( segid " " and resid 919 and name H )) 3.200 1.300 1.300 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.11084E-02 ppm1 3.891 ppm2 8.058 CV 1 ASSI { 1552} (( segid " " and resid 1005 and name HE2 )) (( segid " " and resid 1005 and name HB3 )) 3.900 1.900 1.900 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.13972E-02 ppm1 2.758 ppm2 1.793 CV 1 OR { 1552} (( segid " " and resid 1005 and name HE2 )) (( segid " " and resid 1005 and name HB2 )) ASSI { 3143} (( segid " " and resid 931 and name HA )) (( segid " " and resid 931 and name HB )) 3.100 1.200 1.200 peak 3143 spectrum 1 weight 0.10000E+01 volume 0.12159E-02 ppm1 3.805 ppm2 4.236 CV 1 ASSI { 1834} ( segid " " and resid 1008 and name HG1%) (( segid " " and resid 1017 and name HA )) 2.800 1.000 1.000 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.31773E-02 ppm1 0.897 ppm2 3.851 CV 1 ASSI { 2336} ( segid " " and resid 914 and name HG1%) (( segid " " and resid 983 and name HG3 )) 2.700 0.900 0.900 peak 2336 spectrum 1 weight 0.10000E+01 volume 0.35300E-02 ppm1 0.904 ppm2 2.259 CV 1 ASSI { 2907} ( segid " " and resid 966 and name HD2%) (( segid " " and resid 990 and name H )) 3.000 1.100 1.100 peak 2907 spectrum 1 weight 0.10000E+01 volume 0.25560E-02 ppm1 0.490 ppm2 8.118 CV 1 ASSI { 901} ( segid " " and resid 912 and name HG2%) (( segid " " and resid 912 and name H )) 2.300 0.700 0.700 peak 901 spectrum 1 weight 0.10000E+01 volume 0.85983E-02 ppm1 1.228 ppm2 8.241 CV 1 ASSI { 2433} ( segid " " and resid 1034 and name HD1%) (( segid " " and resid 1034 and name H )) 3.800 1.800 1.800 peak 2433 spectrum 1 weight 0.10000E+01 volume 0.15887E-02 ppm1 0.822 ppm2 8.174 CV 1 ASSI { 1006} (( segid " " and resid 937 and name HA )) (( segid " " and resid 936 and name HA )) 3.700 1.700 1.700 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.70198E-03 ppm1 4.337 ppm2 3.948 CV 1 ASSI { 794} ( segid " " and resid 1017 and name HB% ) (( segid " " and resid 1008 and name HA )) 3.300 1.300 1.300 peak 794 spectrum 1 weight 0.10000E+01 volume 0.17365E-02 ppm1 1.495 ppm2 3.632 CV 1 ASSI { 2716} (( segid " " and resid 958 and name HA )) (( segid " " and resid 996 and name HG3 )) 4.100 2.100 1.900 peak 2716 spectrum 1 weight 0.10000E+01 volume 0.66838E-03 ppm1 4.182 ppm2 1.748 CV 1 ASSI { 995} (( segid " " and resid 1042 and name HG2 )) (( segid " " and resid 1042 and name HE22)) 4.100 2.100 1.900 peak 995 spectrum 1 weight 0.10000E+01 volume 0.80943E-03 ppm1 2.427 ppm2 6.663 CV 1 ASSI { 618} (( segid " " and resid 1028 and name HA3 )) ( segid " " and resid 1001 and name HG1%) 3.300 1.300 1.300 peak 618 spectrum 1 weight 0.10000E+01 volume 0.12864E-02 ppm1 4.082 ppm2 0.886 CV 1 ASSI { 1931} (( segid " " and resid 980 and name HB2 )) (( segid " " and resid 980 and name HB3 )) 1.900 0.500 0.500 peak 1931 spectrum 1 weight 0.10000E+01 volume 0.97468E-02 ppm1 1.939 ppm2 2.375 CV 1 ASSI { 1934} (( segid " " and resid 962 and name HA )) (( segid " " and resid 965 and name HG )) 3.200 1.200 1.200 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.16726E-02 ppm1 4.367 ppm2 1.726 CV 1 ASSI { 28} (( segid " " and resid 951 and name HG )) ( segid " " and resid 951 and name HD2%) 2.600 0.800 0.800 peak 28 spectrum 1 weight 0.10000E+01 volume 0.39196E-02 ppm1 1.525 ppm2 0.805 CV 1 ASSI { 3270} ( segid " " and resid 913 and name HD2%) (( segid " " and resid 913 and name H )) 3.500 1.500 1.500 peak 3270 spectrum 1 weight 0.10000E+01 volume 0.22033E-02 ppm1 0.785 ppm2 8.207 CV 1 ASSI { 1856} (( segid " " and resid 1033 and name HG3 )) ( segid " " and resid 920 and name HB% ) 2.500 0.800 0.800 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.43696E-02 ppm1 2.345 ppm2 1.419 CV 1 OR { 1856} (( segid " " and resid 1033 and name HG2 )) ( segid " " and resid 920 and name HB% ) ASSI { 2254} (( segid " " and resid 1036 and name HA )) (( segid " " and resid 1037 and name H )) 3.100 1.200 1.200 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.17701E-02 ppm1 3.921 ppm2 8.538 CV 1 ASSI { 2288} ( segid " " and resid 925 and name HB% ) ( segid " " and resid 966 and name HD2%) 3.800 1.800 1.800 peak 2288 spectrum 1 weight 0.10000E+01 volume 0.11588E-02 ppm1 1.231 ppm2 0.487 CV 1 ASSI { 397} (( segid " " and resid 1009 and name HA )) (( segid " " and resid 1009 and name HB2 )) 2.700 0.900 0.900 peak 397 spectrum 1 weight 0.10000E+01 volume 0.45678E-02 ppm1 4.449 ppm2 1.788 CV 1 ASSI { 1717} ( segid " " and resid 967 and name HG1%) (( segid " " and resid 967 and name HB )) 2.100 0.600 0.600 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.12555E-01 ppm1 0.793 ppm2 1.941 CV 1 ASSI { 483} (( segid " " and resid 945 and name HA )) ( segid " " and resid 944 and name HB% ) 3.700 1.700 1.700 peak 483 spectrum 1 weight 0.10000E+01 volume 0.14409E-02 ppm1 4.351 ppm2 1.367 CV 1 ASSI { 1695} (( segid " " and resid 1006 and name HA )) ( segid " " and resid 1006 and name HB% ) 2.200 0.600 0.600 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.12834E-01 ppm1 4.122 ppm2 1.414 CV 1 ASSI { 2125} (( segid " " and resid 945 and name HA )) (( segid " " and resid 946 and name H )) 3.000 1.100 1.100 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.22201E-02 ppm1 4.350 ppm2 8.125 CV 1 ASSI { 1568} (( segid " " and resid 915 and name HA )) (( segid " " and resid 916 and name H )) 3.400 1.400 1.400 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.10647E-02 ppm1 3.847 ppm2 8.251 CV 1 ASSI { 2883} ( segid " " and resid 1031 and name HD1%) (( segid " " and resid 1031 and name HA )) 3.800 1.800 1.800 peak 2883 spectrum 1 weight 0.10000E+01 volume 0.18237E-02 ppm1 0.702 ppm2 4.047 CV 1 ASSI { 1167} (( segid " " and resid 1007 and name HA )) (( segid " " and resid 1009 and name HG2 )) 3.500 1.500 1.500 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.12595E-02 ppm1 4.305 ppm2 1.919 CV 1 OR { 1167} (( segid " " and resid 1007 and name HA )) (( segid " " and resid 1009 and name HG3 )) ASSI { 3109} (( segid " " and resid 981 and name HA )) (( segid " " and resid 984 and name HB2 )) 2.700 0.900 0.900 peak 3109 spectrum 1 weight 0.10000E+01 volume 0.25996E-02 ppm1 4.119 ppm2 1.764 CV 1 OR { 3109} (( segid " " and resid 981 and name HA )) (( segid " " and resid 984 and name HG )) ASSI { 3440} ( segid " " and resid 914 and name HG2%) (( segid " " and resid 914 and name H )) 2.700 0.900 0.900 peak 3440 spectrum 1 weight 0.10000E+01 volume 0.23914E-02 ppm1 0.798 ppm2 8.002 CV 1 ASSI { 1151} (( segid " " and resid 1035 and name HA )) (( segid " " and resid 1036 and name H )) 3.300 1.400 1.400 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.11285E-02 ppm1 3.804 ppm2 7.943 CV 1 ASSI { 2772} (( segid " " and resid 964 and name HB2 )) (( segid " " and resid 965 and name H )) 3.000 1.100 1.100 peak 2772 spectrum 1 weight 0.10000E+01 volume 0.13670E-02 ppm1 1.731 ppm2 6.860 CV 1 ASSI { 343} ( segid " " and resid 987 and name HG2%) (( segid " " and resid 1038 and name HA )) 2.700 0.900 0.900 peak 343 spectrum 1 weight 0.10000E+01 volume 0.37047E-02 ppm1 0.801 ppm2 3.978 CV 1 ASSI { 1870} ( segid " " and resid 994 and name HD2%) (( segid " " and resid 1034 and name H )) 3.800 1.800 1.800 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.10345E-02 ppm1 0.918 ppm2 8.176 CV 1 ASSI { 3458} (( segid " " and resid 1026 and name HA )) (( segid " " and resid 1027 and name H )) 3.200 1.300 1.300 peak 3458 spectrum 1 weight 0.10000E+01 volume 0.13737E-02 ppm1 4.416 ppm2 8.797 CV 1 ASSI { 2583} (( segid " " and resid 951 and name HB2 )) (( segid " " and resid 951 and name H )) 2.800 1.000 1.000 peak 2583 spectrum 1 weight 0.10000E+01 volume 0.20018E-02 ppm1 1.666 ppm2 7.920 CV 1 ASSI { 858} ( segid " " and resid 1030 and name HB% ) (( segid " " and resid 1031 and name H )) 2.500 0.800 0.800 peak 858 spectrum 1 weight 0.10000E+01 volume 0.44570E-02 ppm1 1.507 ppm2 9.204 CV 1 ASSI { 2559} (( segid " " and resid 950 and name HD2 )) (( segid " " and resid 950 and name HA )) 3.800 1.800 1.800 peak 2559 spectrum 1 weight 0.10000E+01 volume 0.76913E-03 ppm1 3.566 ppm2 4.247 CV 1 ASSI { 32} (( segid " " and resid 943 and name HE3 )) (( segid " " and resid 943 and name HD2 )) 2.500 0.800 0.800 peak 32 spectrum 1 weight 0.10000E+01 volume 0.47324E-02 ppm1 2.929 ppm2 1.619 CV 1 OR { 32} (( segid " " and resid 943 and name HE2 )) (( segid " " and resid 943 and name HD2 )) OR { 32} (( segid " " and resid 943 and name HE3 )) (( segid " " and resid 943 and name HD3 )) OR { 32} (( segid " " and resid 943 and name HE2 )) (( segid " " and resid 943 and name HD3 )) ASSI { 1461} ( segid " " and resid 1010 and name HG2%) (( segid " " and resid 1009 and name HD2 )) 2.800 1.000 1.000 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.21495E-02 ppm1 1.179 ppm2 3.567 CV 1 ASSI { 2225} (( segid " " and resid 1042 and name HA )) (( segid " " and resid 1042 and name HG3 )) 2.600 0.900 0.900 peak 2225 spectrum 1 weight 0.10000E+01 volume 0.27709E-02 ppm1 4.111 ppm2 2.340 CV 1 ASSI { 2988} (( segid " " and resid 983 and name HA )) (( segid " " and resid 987 and name HG13)) 3.500 1.500 1.500 peak 2988 spectrum 1 weight 0.10000E+01 volume 0.73893E-03 ppm1 3.862 ppm2 0.697 CV 1 OR { 2988} (( segid " " and resid 983 and name HA )) ( segid " " and resid 987 and name HD1%) ASSI { 837} (( segid " " and resid 1018 and name HG2 )) (( segid " " and resid 1018 and name H )) 2.700 0.900 0.900 peak 837 spectrum 1 weight 0.10000E+01 volume 0.21529E-02 ppm1 2.699 ppm2 8.361 CV 1 ASSI { 3413} ( segid " " and resid 932 and name HD1%) ( segid " " and resid 1000 and name HE% ) 3.100 1.200 1.200 peak 3413 spectrum 1 weight 0.10000E+01 volume 0.26399E-02 ppm1 0.827 ppm2 1.975 CV 1 ASSI { 1068} (( segid " " and resid 1042 and name HB3 )) (( segid " " and resid 1042 and name HG3 )) 2.900 1.000 1.000 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.36979E-02 ppm1 2.197 ppm2 2.338 CV 1 ASSI { 3142} (( segid " " and resid 961 and name HA )) (( segid " " and resid 961 and name H )) 2.400 0.700 0.700 peak 3142 spectrum 1 weight 0.10000E+01 volume 0.63580E-02 ppm1 4.068 ppm2 7.465 CV 1 ASSI { 2348} (( segid " " and resid 1021 and name HA )) (( segid " " and resid 1025 and name H )) 3.400 1.400 1.400 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.10345E-02 ppm1 3.853 ppm2 7.954 CV 1 ASSI { 2268} (( segid " " and resid 920 and name HA )) (( segid " " and resid 919 and name HB3 )) 3.400 1.400 1.400 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.63813E-03 ppm1 4.023 ppm2 3.085 CV 1 ASSI { 3380} (( segid " " and resid 1035 and name HD3 )) (( segid " " and resid 1035 and name H )) 3.200 3.200 2.800 peak 3380 spectrum 1 weight 0.10000E+01 volume 0.57769E-03 ppm1 3.196 ppm2 8.527 CV 1 ASSI { 2084} (( segid " " and resid 915 and name HG3 )) (( segid " " and resid 915 and name HE21)) 2.600 0.900 0.900 peak 2084 spectrum 1 weight 0.10000E+01 volume 0.32848E-02 ppm1 2.233 ppm2 7.500 CV 1 OR { 2084} (( segid " " and resid 915 and name HG2 )) (( segid " " and resid 915 and name HE21)) ASSI { 1447} ( segid " " and resid 931 and name HG2%) (( segid " " and resid 1000 and name HG3 )) 3.400 1.500 1.500 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.23813E-02 ppm1 0.961 ppm2 2.173 CV 1 ASSI { 3195} (( segid " " and resid 1005 and name HA )) (( segid " " and resid 1007 and name H )) 3.400 1.400 1.400 peak 3195 spectrum 1 weight 0.10000E+01 volume 0.86987E-03 ppm1 3.779 ppm2 7.634 CV 1 ASSI { 2839} (( segid " " and resid 1035 and name HA )) (( segid " " and resid 1035 and name HG3 )) 2.600 0.800 0.800 peak 2839 spectrum 1 weight 0.10000E+01 volume 0.29960E-02 ppm1 3.802 ppm2 1.605 CV 1 ASSI { 3055} ( segid " " and resid 932 and name HD1%) (( segid " " and resid 959 and name H )) 3.300 1.300 1.300 peak 3055 spectrum 1 weight 0.10000E+01 volume 0.15181E-02 ppm1 0.828 ppm2 7.553 CV 1 ASSI { 3216} ( segid " " and resid 1027 and name HD1%) (( segid " " and resid 1027 and name HB2 )) 2.700 0.900 0.900 peak 3216 spectrum 1 weight 0.10000E+01 volume 0.21260E-02 ppm1 0.934 ppm2 1.885 CV 1 ASSI { 891} ( segid " " and resid 1034 and name HD2%) (( segid " " and resid 1034 and name HB2 )) 2.700 0.900 0.900 peak 891 spectrum 1 weight 0.10000E+01 volume 0.29859E-02 ppm1 0.895 ppm2 2.197 CV 1 ASSI { 204} (( segid " " and resid 996 and name HG3 )) (( segid " " and resid 996 and name HG2 )) 1.900 0.500 0.500 peak 204 spectrum 1 weight 0.10000E+01 volume 0.68548E-02 ppm1 1.762 ppm2 1.923 CV 1 ASSI { 2386} (( segid " " and resid 978 and name HB3 )) (( segid " " and resid 979 and name H )) 4.000 2.000 2.000 peak 2386 spectrum 1 weight 0.10000E+01 volume 0.63478E-03 ppm1 2.634 ppm2 7.432 CV 1 ASSI { 2570} (( segid " " and resid 1011 and name HA )) (( segid " " and resid 1011 and name HG13)) 3.100 1.200 1.200 peak 2570 spectrum 1 weight 0.10000E+01 volume 0.17667E-02 ppm1 3.963 ppm2 1.492 CV 1 ASSI { 1778} (( segid " " and resid 973 and name HA )) ( segid " " and resid 986 and name HD1%) 4.500 2.500 1.500 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.57433E-03 ppm1 4.002 ppm2 0.857 CV 1 ASSI { 338} (( segid " " and resid 1007 and name HA )) (( segid " " and resid 1007 and name HB2 )) 2.900 1.000 1.000 peak 338 spectrum 1 weight 0.10000E+01 volume 0.27172E-02 ppm1 4.303 ppm2 3.656 CV 1 ASSI { 2665} (( segid " " and resid 910 and name HA )) (( segid " " and resid 910 and name HD3 )) 3.500 1.600 1.600 peak 2665 spectrum 1 weight 0.10000E+01 volume 0.93708E-03 ppm1 4.218 ppm2 3.689 CV 1 ASSI { 844} (( segid " " and resid 981 and name HA )) ( segid " " and resid 984 and name HD2%) 3.000 1.100 1.100 peak 844 spectrum 1 weight 0.10000E+01 volume 0.23276E-02 ppm1 4.119 ppm2 0.845 CV 1 ASSI { 2609} (( segid " " and resid 1012 and name HA )) (( segid " " and resid 1012 and name HG2 )) 3.100 1.200 1.200 peak 2609 spectrum 1 weight 0.10000E+01 volume 0.21898E-02 ppm1 3.999 ppm2 2.328 CV 1 ASSI { 1900} (( segid " " and resid 949 and name HG2 )) (( segid " " and resid 950 and name HD3 )) 4.000 2.000 2.000 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.11285E-02 ppm1 2.307 ppm2 3.660 CV 1 OR { 1900} (( segid " " and resid 949 and name HG3 )) (( segid " " and resid 950 and name HD3 )) ASSI { 773} ( segid " " and resid 1030 and name HB% ) (( segid " " and resid 1029 and name H )) 4.000 2.000 2.000 peak 773 spectrum 1 weight 0.10000E+01 volume 0.11453E-02 ppm1 1.507 ppm2 8.078 CV 1 ASSI { 2608} ( segid " " and resid 1029 and name HG2%) (( segid " " and resid 1032 and name H )) 4.100 2.100 1.900 peak 2608 spectrum 1 weight 0.10000E+01 volume 0.60459E-03 ppm1 1.239 ppm2 7.715 CV 1 ASSI { 3172} (( segid " " and resid 1029 and name HA )) (( segid " " and resid 1029 and name HB )) 2.600 0.800 0.800 peak 3172 spectrum 1 weight 0.10000E+01 volume 0.45611E-02 ppm1 4.025 ppm2 4.250 CV 1 ASSI { 962} (( segid " " and resid 1002 and name HA )) (( segid " " and resid 1002 and name H )) 2.500 0.800 0.800 peak 962 spectrum 1 weight 0.10000E+01 volume 0.55687E-02 ppm1 3.990 ppm2 7.630 CV 1 ASSI { 1197} (( segid " " and resid 957 and name HE2 )) ( segid " " and resid 953 and name HG1%) 2.800 0.900 0.900 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.29892E-02 ppm1 2.878 ppm2 0.883 CV 1 OR { 1197} (( segid " " and resid 957 and name HE3 )) ( segid " " and resid 953 and name HG1%) ASSI { 56} (( segid " " and resid 908 and name HA )) (( segid " " and resid 908 and name HB )) 2.500 0.800 0.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.42219E-02 ppm1 4.117 ppm2 1.721 CV 1 ASSI { 2859} (( segid " " and resid 920 and name HA )) (( segid " " and resid 923 and name HG3 )) 4.000 2.000 2.000 peak 2859 spectrum 1 weight 0.10000E+01 volume 0.74563E-03 ppm1 4.026 ppm2 2.132 CV 1 ASSI { 1260} ( segid " " and resid 1031 and name HD2%) ( segid " " and resid 993 and name HD% ) 2.300 0.600 0.600 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.66264E-02 ppm1 0.944 ppm2 6.993 CV 1 ASSI { 1390} (( segid " " and resid 1016 and name HB3 )) (( segid " " and resid 1017 and name H )) 3.400 1.400 1.400 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.11554E-02 ppm1 3.726 ppm2 8.471 CV 1 ASSI { 1912} ( segid " " and resid 966 and name HD1%) (( segid " " and resid 993 and name HB2 )) 3.000 1.100 1.100 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.19279E-02 ppm1 -0.046 ppm2 3.386 CV 1 ASSI { 2455} (( segid " " and resid 1039 and name HG2 )) (( segid " " and resid 1039 and name HE22)) 4.300 2.300 1.700 peak 2455 spectrum 1 weight 0.10000E+01 volume 0.61128E-03 ppm1 2.428 ppm2 6.697 CV 1 ASSI { 1970} (( segid " " and resid 971 and name HG3 )) (( segid " " and resid 971 and name HB2 )) 2.400 0.700 0.700 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.56225E-02 ppm1 1.548 ppm2 1.778 CV 1 OR { 1970} (( segid " " and resid 971 and name HG3 )) (( segid " " and resid 971 and name HB3 )) ASSI { 1616} (( segid " " and resid 915 and name HA )) (( segid " " and resid 918 and name H )) 3.000 1.100 1.100 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.17432E-02 ppm1 3.847 ppm2 8.751 CV 1 ASSI { 851} ( segid " " and resid 986 and name HD1%) (( segid " " and resid 918 and name HG2 )) 2.900 1.000 1.000 peak 851 spectrum 1 weight 0.10000E+01 volume 0.16122E-02 ppm1 0.858 ppm2 1.938 CV 1 ASSI { 555} ( segid " " and resid 1027 and name HD2%) (( segid " " and resid 959 and name HB )) 3.200 3.200 2.800 peak 555 spectrum 1 weight 0.10000E+01 volume 0.60459E-03 ppm1 0.819 ppm2 2.047 CV 1 ASSI { 2065} (( segid " " and resid 1027 and name HA )) (( segid " " and resid 1027 and name HB2 )) 2.800 1.000 1.000 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.13569E-02 ppm1 4.328 ppm2 1.893 CV 1 ASSI { 3351} ( segid " " and resid 914 and name HG1%) (( segid " " and resid 914 and name H )) 2.300 0.600 0.600 peak 3351 spectrum 1 weight 0.10000E+01 volume 0.86252E-02 ppm1 0.903 ppm2 8.002 CV 1 ASSI { 228} (( segid " " and resid 1018 and name HG2 )) (( segid " " and resid 1015 and name HA )) 3.500 1.500 1.500 peak 228 spectrum 1 weight 0.10000E+01 volume 0.91693E-03 ppm1 2.693 ppm2 4.117 CV 1 ASSI { 1219} (( segid " " and resid 1044 and name HA )) ( segid " " and resid 913 and name HD1%) 3.900 1.900 1.900 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.16726E-02 ppm1 3.954 ppm2 0.865 CV 1 ASSI { 803} (( segid " " and resid 1011 and name HG13)) (( segid " " and resid 1011 and name HB )) 3.000 1.100 1.100 peak 803 spectrum 1 weight 0.10000E+01 volume 0.10849E-02 ppm1 1.494 ppm2 1.847 CV 1 ASSI { 256} (( segid " " and resid 992 and name HA )) (( segid " " and resid 991 and name HB3 )) 3.900 1.900 1.900 peak 256 spectrum 1 weight 0.10000E+01 volume 0.55083E-03 ppm1 4.196 ppm2 2.005 CV 1 ASSI { 1670} (( segid " " and resid 980 and name HA )) (( segid " " and resid 980 and name HD3 )) 3.600 1.700 1.700 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.70533E-03 ppm1 4.259 ppm2 3.983 CV 1 ASSI { 3479} (( segid " " and resid 929 and name HA )) (( segid " " and resid 929 and name HB )) 3.200 1.300 1.300 peak 3479 spectrum 1 weight 0.10000E+01 volume 0.12595E-02 ppm1 3.720 ppm2 4.425 CV 1 ASSI { 2861} ( segid " " and resid 932 and name HD1%) ( segid " " and resid 933 and name HB% ) 3.100 3.100 2.900 peak 2861 spectrum 1 weight 0.10000E+01 volume 0.61798E-03 ppm1 0.830 ppm2 1.421 CV 1 ASSI { 524} ( segid " " and resid 959 and name HG1%) (( segid " " and resid 963 and name HG13)) 2.300 0.700 0.700 peak 524 spectrum 1 weight 0.10000E+01 volume 0.46484E-02 ppm1 0.850 ppm2 2.189 CV 1 ASSI { 3356} ( segid " " and resid 1015 and name HB% ) (( segid " " and resid 1013 and name HB3 )) 4.000 2.000 2.000 peak 3356 spectrum 1 weight 0.10000E+01 volume 0.60794E-03 ppm1 1.440 ppm2 2.623 CV 1 OR { 3356} ( segid " " and resid 1015 and name HB% ) (( segid " " and resid 1013 and name HB2 )) ASSI { 1659} (( segid " " and resid 991 and name HA )) (( segid " " and resid 994 and name H )) 3.000 1.100 1.100 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.13401E-02 ppm1 3.999 ppm2 7.249 CV 1 ASSI { 2445} (( segid " " and resid 984 and name HA )) (( segid " " and resid 985 and name H )) 3.200 1.300 1.300 peak 2445 spectrum 1 weight 0.10000E+01 volume 0.12797E-02 ppm1 3.978 ppm2 7.886 CV 1 ASSI { 3512} (( segid " " and resid 1043 and name HA )) (( segid " " and resid 1043 and name HG3 )) 3.100 1.200 1.200 peak 3512 spectrum 1 weight 0.10000E+01 volume 0.32512E-02 ppm1 4.161 ppm2 2.423 CV 1 ASSI { 628} (( segid " " and resid 976 and name HA )) (( segid " " and resid 976 and name H )) 2.700 0.900 0.900 peak 628 spectrum 1 weight 0.10000E+01 volume 0.31437E-02 ppm1 4.785 ppm2 7.053 CV 1 ASSI { 62} (( segid " " and resid 922 and name HA )) ( segid " " and resid 925 and name HB% ) 2.500 0.800 0.800 peak 62 spectrum 1 weight 0.10000E+01 volume 0.40271E-02 ppm1 3.690 ppm2 1.231 CV 1 ASSI { 145} (( segid " " and resid 968 and name HA )) (( segid " " and resid 971 and name HD3 )) 3.100 1.200 1.200 peak 145 spectrum 1 weight 0.10000E+01 volume 0.14644E-02 ppm1 3.957 ppm2 3.079 CV 1 OR { 145} (( segid " " and resid 968 and name HA )) (( segid " " and resid 971 and name HD2 )) ASSI { 2679} (( segid " " and resid 943 and name HG2 )) (( segid " " and resid 943 and name HB2 )) 2.700 0.900 0.900 peak 2679 spectrum 1 weight 0.10000E+01 volume 0.27474E-02 ppm1 1.371 ppm2 1.831 CV 1 OR { 2679} (( segid " " and resid 943 and name HG3 )) (( segid " " and resid 943 and name HB2 )) ASSI { 1135} ( segid " " and resid 1031 and name HD1%) (( segid " " and resid 1027 and name HG )) 2.700 0.900 0.900 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.24653E-02 ppm1 0.702 ppm2 1.360 CV 1 ASSI { 510} ( segid " " and resid 931 and name HG2%) (( segid " " and resid 928 and name HA )) 3.700 1.700 1.700 peak 510 spectrum 1 weight 0.10000E+01 volume 0.14375E-02 ppm1 0.960 ppm2 4.045 CV 1 ASSI { 1296} (( segid " " and resid 963 and name HG12)) ( segid " " and resid 993 and name HE% ) 3.100 1.200 1.200 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.96392E-03 ppm1 0.925 ppm2 6.925 CV 1 ASSI { 80} (( segid " " and resid 962 and name HG3 )) (( segid " " and resid 962 and name HB2 )) 2.500 0.800 0.800 peak 80 spectrum 1 weight 0.10000E+01 volume 0.30900E-02 ppm1 2.400 ppm2 2.713 CV 1 ASSI { 1331} ( segid " " and resid 929 and name HG2%) (( segid " " and resid 929 and name HA )) 2.400 0.700 0.700 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.73218E-02 ppm1 1.227 ppm2 3.722 CV 1 ASSI { 355} (( segid " " and resid 986 and name HB2 )) (( segid " " and resid 986 and name HG )) 3.000 1.100 1.100 peak 355 spectrum 1 weight 0.10000E+01 volume 0.11621E-02 ppm1 2.102 ppm2 1.287 CV 1 ASSI { 2134} (( segid " " and resid 910 and name HA )) (( segid " " and resid 911 and name H )) 2.400 0.700 0.700 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.63717E-02 ppm1 4.217 ppm2 8.106 CV 1 ASSI { 2027} ( segid " " and resid 965 and name HD2%) (( segid " " and resid 965 and name HB2 )) 3.000 1.100 1.100 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.64889E-02 ppm1 0.835 ppm2 1.559 CV 1 ASSI { 2885} ( segid " " and resid 959 and name HG2%) (( segid " " and resid 1000 and name H )) 3.100 1.200 1.200 peak 2885 spectrum 1 weight 0.10000E+01 volume 0.25324E-02 ppm1 0.751 ppm2 7.750 CV 1 ASSI { 3384} (( segid " " and resid 951 and name HA )) (( segid " " and resid 952 and name H )) 3.300 1.400 1.400 peak 3384 spectrum 1 weight 0.10000E+01 volume 0.10613E-02 ppm1 4.082 ppm2 8.015 CV 1 ASSI { 1701} (( segid " " and resid 993 and name HA )) (( segid " " and resid 993 and name H )) 2.600 0.800 0.800 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.35401E-02 ppm1 4.049 ppm2 7.675 CV 1 ASSI { 476} ( segid " " and resid 914 and name HG2%) (( segid " " and resid 983 and name HE21)) 3.400 1.400 1.400 peak 476 spectrum 1 weight 0.10000E+01 volume 0.10143E-02 ppm1 0.799 ppm2 7.466 CV 1 ASSI { 2340} (( segid " " and resid 963 and name HA )) ( segid " " and resid 993 and name HE% ) 2.700 0.900 0.900 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.24686E-02 ppm1 3.693 ppm2 6.923 CV 1 ASSI { 3442} (( segid " " and resid 998 and name HA3 )) (( segid " " and resid 998 and name H )) 2.500 0.800 0.800 peak 3442 spectrum 1 weight 0.10000E+01 volume 0.36476E-02 ppm1 3.645 ppm2 8.273 CV 1 ASSI { 1214} (( segid " " and resid 1043 and name HA )) (( segid " " and resid 1044 and name H )) 2.900 1.000 1.000 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.27776E-02 ppm1 4.162 ppm2 7.312 CV 1 ASSI { 2928} (( segid " " and resid 931 and name HA )) (( segid " " and resid 932 and name H )) 3.300 1.400 1.400 peak 2928 spectrum 1 weight 0.10000E+01 volume 0.83633E-03 ppm1 3.806 ppm2 8.378 CV 1 ASSI { 3460} (( segid " " and resid 1039 and name HA )) (( segid " " and resid 991 and name HE22)) 3.900 1.900 1.900 peak 3460 spectrum 1 weight 0.10000E+01 volume 0.56426E-03 ppm1 3.945 ppm2 6.590 CV 1 ASSI { 1486} ( segid " " and resid 1001 and name HG1%) (( segid " " and resid 1001 and name HA )) 2.300 0.700 0.700 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.78898E-02 ppm1 0.886 ppm2 3.279 CV 1 ASSI { 535} (( segid " " and resid 916 and name HD3 )) ( segid " " and resid 1037 and name HB% ) 3.600 1.600 1.600 peak 535 spectrum 1 weight 0.10000E+01 volume 0.59113E-03 ppm1 3.053 ppm2 1.321 CV 1 ASSI { 361} (( segid " " and resid 1007 and name HA )) (( segid " " and resid 1007 and name H )) 2.800 1.000 1.000 peak 361 spectrum 1 weight 0.10000E+01 volume 0.26802E-02 ppm1 4.302 ppm2 7.634 CV 1 ASSI { 1845} ( segid " " and resid 928 and name HB% ) ( segid " " and resid 993 and name HD% ) 4.400 2.400 1.600 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.69864E-03 ppm1 1.647 ppm2 6.994 CV 1 ASSI { 2931} (( segid " " and resid 1029 and name HA )) (( segid " " and resid 1032 and name H )) 3.000 1.100 1.100 peak 2931 spectrum 1 weight 0.10000E+01 volume 0.17331E-02 ppm1 4.024 ppm2 7.713 CV 1 ASSI { 2901} (( segid " " and resid 1034 and name HB3 )) (( segid " " and resid 1034 and name HG )) 3.000 1.100 1.100 peak 2901 spectrum 1 weight 0.10000E+01 volume 0.11117E-02 ppm1 1.224 ppm2 1.459 CV 1 ASSI { 3088} ( segid " " and resid 929 and name HG2%) (( segid " " and resid 930 and name HG2 )) 3.600 1.600 1.600 peak 3088 spectrum 1 weight 0.10000E+01 volume 0.91693E-03 ppm1 1.227 ppm2 2.509 CV 1 ASSI { 3183} (( segid " " and resid 975 and name HA )) (( segid " " and resid 976 and name H )) 3.200 1.300 1.300 peak 3183 spectrum 1 weight 0.10000E+01 volume 0.18876E-02 ppm1 4.149 ppm2 7.052 CV 1 ASSI { 1756} (( segid " " and resid 918 and name HG2 )) (( segid " " and resid 918 and name HG3 )) 2.200 0.600 0.600 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.33889E-02 ppm1 1.932 ppm2 2.438 CV 1 ASSI { 609} ( segid " " and resid 917 and name HD2%) (( segid " " and resid 917 and name HB3 )) 2.600 0.800 0.800 peak 609 spectrum 1 weight 0.10000E+01 volume 0.33621E-02 ppm1 0.856 ppm2 1.118 CV 1 ASSI { 3422} (( segid " " and resid 996 and name HB2 )) ( segid " " and resid 959 and name HG2%) 2.800 1.000 1.000 peak 3422 spectrum 1 weight 0.10000E+01 volume 0.13872E-02 ppm1 2.010 ppm2 0.749 CV 1 ASSI { 1077} ( segid " " and resid 928 and name HB% ) (( segid " " and resid 993 and name HZ )) 2.200 0.600 0.600 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.67406E-02 ppm1 1.648 ppm2 6.770 CV 1 ASSI { 2539} (( segid " " and resid 987 and name HA )) (( segid " " and resid 990 and name HB2 )) 2.800 1.000 1.000 peak 2539 spectrum 1 weight 0.10000E+01 volume 0.15013E-02 ppm1 3.361 ppm2 4.138 CV 1 ASSI { 717} (( segid " " and resid 981 and name HA )) (( segid " " and resid 982 and name H )) 3.500 1.500 1.500 peak 717 spectrum 1 weight 0.10000E+01 volume 0.73218E-03 ppm1 4.118 ppm2 8.059 CV 1 ASSI { 1956} (( segid " " and resid 915 and name HA )) (( segid " " and resid 918 and name HB2 )) 2.700 0.900 0.900 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.23175E-02 ppm1 3.844 ppm2 2.343 CV 1 ASSI { 1532} (( segid " " and resid 966 and name HG )) (( segid " " and resid 966 and name H )) 3.500 1.500 1.500 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.63478E-03 ppm1 1.102 ppm2 7.926 CV 1 ASSI { 3032} (( segid " " and resid 919 and name HB2 )) (( segid " " and resid 919 and name H )) 2.400 0.700 0.700 peak 3032 spectrum 1 weight 0.10000E+01 volume 0.69929E-02 ppm1 3.088 ppm2 8.056 CV 1 OR { 3032} (( segid " " and resid 919 and name HB3 )) (( segid " " and resid 919 and name H )) ASSI { 3030} (( segid " " and resid 972 and name HA2 )) (( segid " " and resid 971 and name HA )) 3.700 1.700 1.700 peak 3030 spectrum 1 weight 0.10000E+01 volume 0.98407E-03 ppm1 3.803 ppm2 3.949 CV 1 OR { 3030} (( segid " " and resid 972 and name HA3 )) (( segid " " and resid 971 and name HA )) ASSI { 573} (( segid " " and resid 995 and name HG3 )) (( segid " " and resid 996 and name HD3 )) 4.300 2.300 1.700 peak 573 spectrum 1 weight 0.10000E+01 volume 0.93038E-03 ppm1 2.402 ppm2 3.489 CV 1 ASSI { 2735} (( segid " " and resid 1007 and name HB3 )) ( segid " " and resid 1011 and name HD1%) 3.600 1.600 1.600 peak 2735 spectrum 1 weight 0.10000E+01 volume 0.61463E-03 ppm1 3.898 ppm2 0.606 CV 1 ASSI { 1630} ( segid " " and resid 952 and name HD1%) (( segid " " and resid 952 and name HB2 )) 2.600 0.800 0.800 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.38222E-02 ppm1 0.831 ppm2 2.008 CV 1 ASSI { 262} (( segid " " and resid 1044 and name HA )) (( segid " " and resid 1043 and name H )) 4.500 2.600 1.500 peak 262 spectrum 1 weight 0.10000E+01 volume 0.52396E-03 ppm1 3.953 ppm2 7.531 CV 1 ASSI { 138} ( segid " " and resid 1027 and name HD2%) (( segid " " and resid 1028 and name H )) 4.400 2.400 1.600 peak 138 spectrum 1 weight 0.10000E+01 volume 0.59449E-03 ppm1 0.821 ppm2 8.588 CV 1 ASSI { 2627} ( segid " " and resid 1029 and name HG2%) (( segid " " and resid 1029 and name HB )) 2.100 0.600 0.600 peak 2627 spectrum 1 weight 0.10000E+01 volume 0.14093E-01 ppm1 1.237 ppm2 4.252 CV 1 ASSI { 3276} ( segid " " and resid 965 and name HD1%) (( segid " " and resid 962 and name HG2 )) 3.300 1.300 1.300 peak 3276 spectrum 1 weight 0.10000E+01 volume 0.19178E-02 ppm1 0.937 ppm2 2.481 CV 1 ASSI { 319} (( segid " " and resid 959 and name HA )) (( segid " " and resid 962 and name HB2 )) 3.100 1.200 1.200 peak 319 spectrum 1 weight 0.10000E+01 volume 0.70533E-03 ppm1 3.397 ppm2 2.722 CV 1 ASSI { 105} ( segid " " and resid 1027 and name HD1%) (( segid " " and resid 931 and name HB )) 3.500 1.500 1.500 peak 105 spectrum 1 weight 0.10000E+01 volume 0.10076E-02 ppm1 0.932 ppm2 4.225 CV 1 ASSI { 1780} (( segid " " and resid 1025 and name HB2 )) (( segid " " and resid 1026 and name H )) 2.800 1.000 1.000 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.29288E-02 ppm1 1.903 ppm2 8.124 CV 1 OR { 1780} (( segid " " and resid 1025 and name HB3 )) (( segid " " and resid 1026 and name H )) ASSI { 2815} (( segid " " and resid 1027 and name HG )) (( segid " " and resid 1027 and name HA )) 3.400 1.400 1.400 peak 2815 spectrum 1 weight 0.10000E+01 volume 0.86652E-03 ppm1 1.363 ppm2 4.330 CV 1 ASSI { 2099} (( segid " " and resid 979 and name HB2 )) ( segid " " and resid 982 and name HB% ) 3.200 1.300 1.300 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.28079E-02 ppm1 4.090 ppm2 1.455 CV 1 ASSI { 1746} ( segid " " and resid 1011 and name HG2%) (( segid " " and resid 1016 and name H )) 3.600 1.600 1.600 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.11352E-02 ppm1 0.948 ppm2 7.965 CV 1 ASSI { 3231} (( segid " " and resid 950 and name HD2 )) (( segid " " and resid 949 and name HA )) 2.500 0.800 0.800 peak 3231 spectrum 1 weight 0.10000E+01 volume 0.31572E-02 ppm1 3.567 ppm2 4.433 CV 1 ASSI { 1126} (( segid " " and resid 1012 and name HA )) (( segid " " and resid 1012 and name HB2 )) 2.700 0.900 0.900 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.36073E-02 ppm1 3.998 ppm2 1.922 CV 1 ASSI { 1199} ( segid " " and resid 987 and name HD1%) (( segid " " and resid 987 and name HG12)) 2.100 0.600 0.600 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.10332E-01 ppm1 0.711 ppm2 1.723 CV 1 ASSI { 1725} (( segid " " and resid 960 and name HA )) (( segid " " and resid 963 and name HG13)) 3.000 1.100 1.100 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.13032E-02 ppm1 3.925 ppm2 2.194 CV 1 ASSI { 2009} (( segid " " and resid 993 and name HB2 )) ( segid " " and resid 993 and name HD% ) 2.700 0.900 0.900 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.26903E-02 ppm1 3.382 ppm2 6.992 CV 1 ASSI { 1545} ( segid " " and resid 987 and name HD1%) (( segid " " and resid 1042 and name HB2 )) 3.000 1.200 1.200 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.17062E-02 ppm1 0.709 ppm2 2.113 CV 1 ASSI { 3149} (( segid " " and resid 1040 and name HG2 )) ( segid " " and resid 1036 and name HG2%) 3.700 1.700 1.700 peak 3149 spectrum 1 weight 0.10000E+01 volume 0.14476E-02 ppm1 1.567 ppm2 1.197 CV 1 ASSI { 706} (( segid " " and resid 913 and name HB2 )) (( segid " " and resid 913 and name HG )) 2.800 1.000 1.000 peak 706 spectrum 1 weight 0.10000E+01 volume 0.16357E-02 ppm1 1.900 ppm2 1.714 CV 1 ASSI { 3303} (( segid " " and resid 970 and name HA )) (( segid " " and resid 971 and name H )) 3.500 1.500 1.500 peak 3303 spectrum 1 weight 0.10000E+01 volume 0.85648E-03 ppm1 3.438 ppm2 8.296 CV 1 ASSI { 1705} (( segid " " and resid 932 and name HA )) (( segid " " and resid 935 and name H )) 3.200 1.200 1.200 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.11856E-02 ppm1 3.698 ppm2 8.788 CV 1 ASSI { 1400} (( segid " " and resid 1011 and name HA )) ( segid " " and resid 1011 and name HD1%) 3.700 1.700 1.700 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.19547E-02 ppm1 3.963 ppm2 0.610 CV 1 ASSI { 456} ( segid " " and resid 953 and name HG1%) (( segid " " and resid 954 and name H )) 3.100 1.200 1.200 peak 456 spectrum 1 weight 0.10000E+01 volume 0.27440E-02 ppm1 0.885 ppm2 8.195 CV 1 ASSI { 920} ( segid " " and resid 1044 and name HB% ) (( segid " " and resid 1043 and name H )) 4.100 2.100 1.900 peak 920 spectrum 1 weight 0.10000E+01 volume 0.90013E-03 ppm1 1.308 ppm2 7.528 CV 1 ASSI { 1869} (( segid " " and resid 954 and name HG3 )) (( segid " " and resid 954 and name HE22)) 3.900 1.900 1.900 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.12427E-02 ppm1 2.385 ppm2 6.795 CV 1 OR { 1869} (( segid " " and resid 954 and name HG2 )) (( segid " " and resid 954 and name HE22)) ASSI { 2939} ( segid " " and resid 932 and name HD1%) (( segid " " and resid 931 and name H )) 4.400 2.500 1.600 peak 2939 spectrum 1 weight 0.10000E+01 volume 0.54747E-03 ppm1 0.826 ppm2 8.041 CV 1 ASSI { 1625} (( segid " " and resid 963 and name HG12)) (( segid " " and resid 963 and name HG13)) 2.100 0.600 0.600 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.30161E-02 ppm1 0.924 ppm2 2.195 CV 1 ASSI { 2390} (( segid " " and resid 1016 and name HA )) (( segid " " and resid 1016 and name H )) 2.700 0.900 0.900 peak 2390 spectrum 1 weight 0.10000E+01 volume 0.29086E-02 ppm1 4.212 ppm2 7.961 CV 1 ASSI { 2403} ( segid " " and resid 924 and name HB% ) ( segid " " and resid 1034 and name HD2%) 2.200 0.600 0.600 peak 2403 spectrum 1 weight 0.10000E+01 volume 0.90515E-02 ppm1 1.273 ppm2 0.901 CV 1 ASSI { 2427} ( segid " " and resid 963 and name HD1%) ( segid " " and resid 960 and name HB% ) 3.500 1.600 1.600 peak 2427 spectrum 1 weight 0.10000E+01 volume 0.20689E-02 ppm1 0.935 ppm2 1.498 CV 1 ASSI { 1115} (( segid " " and resid 1035 and name HG2 )) (( segid " " and resid 1035 and name HB3 )) 2.900 1.000 1.000 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.12528E-02 ppm1 1.470 ppm2 2.030 CV 1 ASSI { 2317} ( segid " " and resid 1017 and name HB% ) (( segid " " and resid 1011 and name H )) 2.700 2.700 3.300 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.16458E-02 ppm1 1.495 ppm2 7.303 CV 1 ASSI { 739} (( segid " " and resid 992 and name HA )) (( segid " " and resid 992 and name H )) 2.500 0.800 0.800 peak 739 spectrum 1 weight 0.10000E+01 volume 0.60895E-02 ppm1 4.198 ppm2 8.326 CV 1 ASSI { 3541} ( segid " " and resid 913 and name HD1%) (( segid " " and resid 913 and name HB3 )) 2.600 0.800 0.800 peak 3541 spectrum 1 weight 0.10000E+01 volume 0.45813E-02 ppm1 0.865 ppm2 1.254 CV 1 ASSI { 2477} ( segid " " and resid 958 and name HB% ) (( segid " " and resid 996 and name HG3 )) 3.700 1.700 1.700 peak 2477 spectrum 1 weight 0.10000E+01 volume 0.10815E-02 ppm1 1.441 ppm2 1.762 CV 1 ASSI { 1871} (( segid " " and resid 1007 and name HB2 )) ( segid " " and resid 1011 and name HD1%) 3.600 1.600 1.600 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.83633E-03 ppm1 3.659 ppm2 0.609 CV 1 ASSI { 3487} (( segid " " and resid 952 and name HB3 )) ( segid " " and resid 952 and name HD1%) 2.900 1.100 1.100 peak 3487 spectrum 1 weight 0.10000E+01 volume 0.20689E-02 ppm1 1.412 ppm2 0.830 CV 1 ASSI { 2871} ( segid " " and resid 917 and name HD1%) (( segid " " and resid 917 and name HB3 )) 3.000 1.100 1.100 peak 2871 spectrum 1 weight 0.10000E+01 volume 0.28784E-02 ppm1 0.700 ppm2 1.116 CV 1 ASSI { 764} ( segid " " and resid 921 and name HB% ) (( segid " " and resid 966 and name HA )) 3.900 1.900 1.900 peak 764 spectrum 1 weight 0.10000E+01 volume 0.64154E-03 ppm1 1.168 ppm2 3.893 CV 1 ASSI { 885} (( segid " " and resid 926 and name HA )) (( segid " " and resid 926 and name H )) 2.500 0.800 0.800 peak 885 spectrum 1 weight 0.10000E+01 volume 0.57433E-02 ppm1 4.093 ppm2 7.899 CV 1 ASSI { 391} (( segid " " and resid 1036 and name HA )) (( segid " " and resid 1040 and name H )) 3.700 1.800 1.800 peak 391 spectrum 1 weight 0.10000E+01 volume 0.89008E-03 ppm1 3.924 ppm2 8.324 CV 1 ASSI { 1938} (( segid " " and resid 990 and name HB2 )) (( segid " " and resid 990 and name HG )) 2.700 0.900 0.900 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.19111E-02 ppm1 4.131 ppm2 3.585 CV 1 ASSI { 1522} ( segid " " and resid 913 and name HD1%) (( segid " " and resid 1041 and name HA )) 2.700 0.900 0.900 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.44435E-02 ppm1 0.865 ppm2 4.036 CV 1 ASSI { 2267} (( segid " " and resid 964 and name HD2 )) (( segid " " and resid 965 and name H )) 3.000 1.100 1.100 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.13166E-02 ppm1 3.663 ppm2 6.858 CV 1 OR { 2267} (( segid " " and resid 964 and name HD3 )) (( segid " " and resid 965 and name H )) ASSI { 1582} ( segid " " and resid 1036 and name HG2%) (( segid " " and resid 1036 and name HB )) 2.100 0.600 0.600 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.11725E-01 ppm1 1.197 ppm2 4.094 CV 1 ASSI { 582} ( segid " " and resid 984 and name HD2%) (( segid " " and resid 984 and name HG )) 2.100 0.600 0.600 peak 582 spectrum 1 weight 0.10000E+01 volume 0.12565E-01 ppm1 0.846 ppm2 1.746 CV 1 ASSI { 3104} (( segid " " and resid 1028 and name HA3 )) (( segid " " and resid 1031 and name HB2 )) 4.200 2.200 1.800 peak 3104 spectrum 1 weight 0.10000E+01 volume 0.60794E-03 ppm1 4.089 ppm2 2.023 CV 1 ASSI { 1144} ( segid " " and resid 994 and name HD1%) (( segid " " and resid 994 and name HB3 )) 2.500 0.800 0.800 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.51690E-02 ppm1 0.933 ppm2 1.924 CV 1 ASSI { 431} (( segid " " and resid 963 and name HA )) (( segid " " and resid 963 and name H )) 2.400 0.700 0.700 peak 431 spectrum 1 weight 0.10000E+01 volume 0.39935E-02 ppm1 3.692 ppm2 7.923 CV 1 ASSI { 451} ( segid " " and resid 986 and name HD1%) (( segid " " and resid 918 and name HG3 )) 3.300 1.400 1.400 peak 451 spectrum 1 weight 0.10000E+01 volume 0.17498E-02 ppm1 0.859 ppm2 2.437 CV 1 ASSI { 495} (( segid " " and resid 1027 and name HG )) ( segid " " and resid 1001 and name HG2%) 2.900 1.000 1.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.14980E-02 ppm1 1.360 ppm2 1.020 CV 1 ASSI { 654} (( segid " " and resid 1009 and name HG2 )) (( segid " " and resid 1010 and name H )) 3.600 1.600 1.600 peak 654 spectrum 1 weight 0.10000E+01 volume 0.64489E-03 ppm1 1.926 ppm2 7.731 CV 1 OR { 654} (( segid " " and resid 1009 and name HG3 )) (( segid " " and resid 1010 and name H )) ASSI { 2887} (( segid " " and resid 1040 and name HB2 )) (( segid " " and resid 1040 and name HD2 )) 2.700 0.900 0.900 peak 2887 spectrum 1 weight 0.10000E+01 volume 0.39162E-02 ppm1 1.735 ppm2 1.567 CV 1 OR { 2887} (( segid " " and resid 1040 and name HB2 )) (( segid " " and resid 1040 and name HG2 )) OR { 2887} (( segid " " and resid 1040 and name HB2 )) (( segid " " and resid 1040 and name HD3 )) ASSI { 1895} (( segid " " and resid 948 and name HD2 )) (( segid " " and resid 947 and name HA2 )) 2.700 0.900 0.900 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.37047E-02 ppm1 3.628 ppm2 4.095 CV 1 ASSI { 2824} (( segid " " and resid 974 and name HG2 )) (( segid " " and resid 974 and name HB2 )) 3.200 1.300 1.300 peak 2824 spectrum 1 weight 0.10000E+01 volume 0.18104E-02 ppm1 2.479 ppm2 1.836 CV 1 ASSI { 2649} (( segid " " and resid 916 and name HA )) (( segid " " and resid 920 and name H )) 3.600 1.600 1.600 peak 2649 spectrum 1 weight 0.10000E+01 volume 0.63478E-03 ppm1 3.891 ppm2 8.371 CV 1 ASSI { 3140} (( segid " " and resid 973 and name HA )) (( segid " " and resid 976 and name H )) 3.500 1.500 1.500 peak 3140 spectrum 1 weight 0.10000E+01 volume 0.69864E-03 ppm1 4.002 ppm2 7.052 CV 1 ASSI { 3444} (( segid " " and resid 953 and name HA )) (( segid " " and resid 956 and name HB3 )) 3.200 1.200 1.200 peak 3444 spectrum 1 weight 0.10000E+01 volume 0.12830E-02 ppm1 3.548 ppm2 2.715 CV 1 ASSI { 2034} ( segid " " and resid 989 and name HB% ) (( segid " " and resid 990 and name H )) 2.600 0.800 0.800 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.46014E-02 ppm1 1.402 ppm2 8.115 CV 1 ASSI { 3536} ( segid " " and resid 935 and name HB% ) (( segid " " and resid 932 and name H )) 3.500 1.600 1.600 peak 3536 spectrum 1 weight 0.10000E+01 volume 0.16055E-02 ppm1 1.351 ppm2 8.396 CV 1 ASSI { 700} (( segid " " and resid 918 and name HA )) ( segid " " and resid 986 and name HD2%) 3.200 1.300 1.300 peak 700 spectrum 1 weight 0.10000E+01 volume 0.12494E-02 ppm1 3.646 ppm2 0.671 CV 1 ASSI { 544} ( segid " " and resid 1038 and name HB% ) (( segid " " and resid 1038 and name HA )) 2.100 0.500 0.500 peak 544 spectrum 1 weight 0.10000E+01 volume 0.13304E-01 ppm1 1.395 ppm2 3.982 CV 1 ASSI { 2739} (( segid " " and resid 914 and name HA )) (( segid " " and resid 914 and name HB )) 2.800 1.000 1.000 peak 2739 spectrum 1 weight 0.10000E+01 volume 0.22906E-02 ppm1 3.464 ppm2 1.909 CV 1 ASSI { 1663} ( segid " " and resid 952 and name HD1%) (( segid " " and resid 953 and name H )) 4.000 2.000 2.000 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.82623E-03 ppm1 0.829 ppm2 7.926 CV 1 ASSI { 3374} (( segid " " and resid 951 and name HB2 )) ( segid " " and resid 951 and name HD1%) 3.200 1.300 1.300 peak 3374 spectrum 1 weight 0.10000E+01 volume 0.24149E-02 ppm1 1.668 ppm2 0.832 CV 1 ASSI { 599} ( segid " " and resid 953 and name HG2%) (( segid " " and resid 953 and name HA )) 2.200 0.600 0.600 peak 599 spectrum 1 weight 0.10000E+01 volume 0.11618E-01 ppm1 0.961 ppm2 3.549 CV 1 ASSI { 1224} ( segid " " and resid 932 and name HG2%) (( segid " " and resid 932 and name HB )) 2.100 0.500 0.500 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.12054E-01 ppm1 0.849 ppm2 1.832 CV 1 ASSI { 3525} (( segid " " and resid 956 and name HA )) (( segid " " and resid 960 and name H )) 3.500 1.500 1.500 peak 3525 spectrum 1 weight 0.10000E+01 volume 0.77248E-03 ppm1 4.229 ppm2 8.668 CV 1 ASSI { 187} (( segid " " and resid 917 and name HB2 )) (( segid " " and resid 917 and name HA )) 3.200 1.300 1.300 peak 187 spectrum 1 weight 0.10000E+01 volume 0.92362E-03 ppm1 2.170 ppm2 4.052 CV 1 ASSI { 1139} (( segid " " and resid 951 and name HA )) (( segid " " and resid 951 and name H )) 2.900 1.000 1.000 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.20857E-02 ppm1 4.083 ppm2 7.922 CV 1 ASSI { 1213} (( segid " " and resid 966 and name HB2 )) ( segid " " and resid 967 and name HG2%) 3.900 1.900 1.900 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.79938E-03 ppm1 1.332 ppm2 0.848 CV 1 ASSI { 84} (( segid " " and resid 921 and name HA )) (( segid " " and resid 921 and name H )) 2.700 0.900 0.900 peak 84 spectrum 1 weight 0.10000E+01 volume 0.27440E-02 ppm1 3.815 ppm2 9.023 CV 1 ASSI { 85} ( segid " " and resid 932 and name HD1%) (( segid " " and resid 963 and name HG13)) 3.800 1.800 1.800 peak 85 spectrum 1 weight 0.10000E+01 volume 0.80273E-03 ppm1 0.827 ppm2 2.194 CV 1 ASSI { 816} ( segid " " and resid 935 and name HB% ) (( segid " " and resid 936 and name H )) 2.700 0.900 0.900 peak 816 spectrum 1 weight 0.10000E+01 volume 0.44570E-02 ppm1 1.353 ppm2 8.463 CV 1 ASSI { 1978} ( segid " " and resid 987 and name HG2%) (( segid " " and resid 991 and name HG3 )) 2.500 0.800 0.800 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.35837E-02 ppm1 0.801 ppm2 2.507 CV 1 ASSI { 2416} (( segid " " and resid 994 and name HA )) (( segid " " and resid 994 and name H )) 2.600 0.800 0.800 peak 2416 spectrum 1 weight 0.10000E+01 volume 0.29389E-02 ppm1 3.812 ppm2 7.247 CV 1 ASSI { 2413} (( segid " " and resid 983 and name HA )) (( segid " " and resid 983 and name HG2 )) 3.200 1.300 1.300 peak 2413 spectrum 1 weight 0.10000E+01 volume 0.20992E-02 ppm1 3.861 ppm2 2.705 CV 1 ASSI { 3248} (( segid " " and resid 1005 and name HE3 )) ( segid " " and resid 1001 and name HG1%) 2.600 0.900 0.900 peak 3248 spectrum 1 weight 0.10000E+01 volume 0.25257E-02 ppm1 2.838 ppm2 0.885 CV 1 ASSI { 3409} ( segid " " and resid 953 and name HG2%) (( segid " " and resid 953 and name HB )) 2.100 0.600 0.600 peak 3409 spectrum 1 weight 0.10000E+01 volume 0.11460E-01 ppm1 0.961 ppm2 2.050 CV 1 ASSI { 2547} ( segid " " and resid 994 and name HD1%) (( segid " " and resid 1035 and name H )) 3.900 1.900 1.900 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.10412E-02 ppm1 0.932 ppm2 8.522 CV 1 ASSI { 802} ( segid " " and resid 966 and name HD2%) (( segid " " and resid 993 and name HA )) 3.700 1.700 1.700 peak 802 spectrum 1 weight 0.10000E+01 volume 0.15249E-02 ppm1 0.490 ppm2 4.040 CV 1 ASSI { 317} (( segid " " and resid 978 and name HB2 )) (( segid " " and resid 979 and name H )) 3.800 1.800 1.800 peak 317 spectrum 1 weight 0.10000E+01 volume 0.78593E-03 ppm1 2.693 ppm2 7.433 CV 1 ASSI { 2488} (( segid " " and resid 951 and name HB2 )) (( segid " " and resid 951 and name HB3 )) 1.800 0.400 0.400 peak 2488 spectrum 1 weight 0.10000E+01 volume 0.14798E-01 ppm1 1.667 ppm2 1.528 CV 1 OR { 2488} (( segid " " and resid 951 and name HB2 )) (( segid " " and resid 951 and name HG )) ASSI { 2255} ( segid " " and resid 970 and name HG1%) (( segid " " and resid 918 and name HG2 )) 2.900 1.000 1.000 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.25862E-02 ppm1 0.726 ppm2 1.935 CV 1 ASSI { 2213} ( segid " " and resid 917 and name HD1%) (( segid " " and resid 990 and name HG )) 3.200 1.300 1.300 peak 2213 spectrum 1 weight 0.10000E+01 volume 0.11789E-02 ppm1 0.699 ppm2 3.583 CV 1 ASSI { 57} ( segid " " and resid 966 and name HD2%) ( segid " " and resid 986 and name HD2%) 2.700 0.900 0.900 peak 57 spectrum 1 weight 0.10000E+01 volume 0.38592E-02 ppm1 0.490 ppm2 0.674 CV 1 ASSI { 140} (( segid " " and resid 1042 and name HB3 )) ( segid " " and resid 987 and name HD1%) 4.500 2.500 1.500 peak 140 spectrum 1 weight 0.10000E+01 volume 0.89008E-03 ppm1 2.204 ppm2 0.708 CV 1 ASSI { 656} (( segid " " and resid 910 and name HA )) (( segid " " and resid 910 and name HB3 )) 2.400 0.700 0.700 peak 656 spectrum 1 weight 0.10000E+01 volume 0.56426E-02 ppm1 4.218 ppm2 1.697 CV 1 ASSI { 2424} ( segid " " and resid 959 and name HG1%) (( segid " " and resid 1000 and name HB3 )) 3.900 1.900 1.900 peak 2424 spectrum 1 weight 0.10000E+01 volume 0.87328E-03 ppm1 0.846 ppm2 2.329 CV 1 OR { 2424} ( segid " " and resid 959 and name HG1%) (( segid " " and resid 1000 and name HG2 )) ASSI { 302} (( segid " " and resid 953 and name HA )) (( segid " " and resid 957 and name H )) 3.700 1.700 1.700 peak 302 spectrum 1 weight 0.10000E+01 volume 0.62809E-03 ppm1 3.548 ppm2 7.592 CV 1 ASSI { 264} ( segid " " and resid 987 and name HG2%) (( segid " " and resid 991 and name HE21)) 2.800 1.000 1.000 peak 264 spectrum 1 weight 0.10000E+01 volume 0.20051E-02 ppm1 0.801 ppm2 7.184 CV 1 ASSI { 626} ( segid " " and resid 994 and name HD2%) (( segid " " and resid 995 and name H )) 4.400 2.400 1.600 peak 626 spectrum 1 weight 0.10000E+01 volume 0.74898E-03 ppm1 0.917 ppm2 8.331 CV 1 ASSI { 3491} (( segid " " and resid 990 and name HB3 )) ( segid " " and resid 1038 and name HB% ) 3.300 1.400 1.400 peak 3491 spectrum 1 weight 0.10000E+01 volume 0.10110E-02 ppm1 3.395 ppm2 1.398 CV 1 ASSI { 3520} (( segid " " and resid 963 and name HA )) (( segid " " and resid 963 and name HG13)) 2.800 1.000 1.000 peak 3520 spectrum 1 weight 0.10000E+01 volume 0.23712E-02 ppm1 3.692 ppm2 2.196 CV 1 ASSI { 1459} ( segid " " and resid 1020 and name HD1%) ( segid " " and resid 934 and name HB% ) 3.600 1.600 1.600 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.13032E-02 ppm1 0.754 ppm2 1.512 CV 1 ASSI { 3153} ( segid " " and resid 921 and name HB% ) (( segid " " and resid 920 and name H )) 4.200 2.200 1.800 peak 3153 spectrum 1 weight 0.10000E+01 volume 0.72213E-03 ppm1 1.171 ppm2 8.374 CV 1 ASSI { 433} ( segid " " and resid 1008 and name HG2%) (( segid " " and resid 1008 and name HB )) 2.200 0.600 0.600 peak 433 spectrum 1 weight 0.10000E+01 volume 0.80476E-02 ppm1 1.103 ppm2 2.263 CV 1 ASSI { 408} ( segid " " and resid 1001 and name HG2%) ( segid " " and resid 1031 and name HD1%) 2.200 0.600 0.600 peak 408 spectrum 1 weight 0.10000E+01 volume 0.80578E-02 ppm1 1.021 ppm2 0.700 CV 1 ASSI { 1355} (( segid " " and resid 993 and name HA )) (( segid " " and resid 996 and name HG2 )) 2.900 1.100 1.100 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.11319E-02 ppm1 4.048 ppm2 1.924 CV 1 ASSI { 3145} (( segid " " and resid 1025 and name HE3 )) (( segid " " and resid 1025 and name HG2 )) 2.600 0.800 0.800 peak 3145 spectrum 1 weight 0.10000E+01 volume 0.46518E-02 ppm1 2.884 ppm2 1.325 CV 1 OR { 3145} (( segid " " and resid 1025 and name HE2 )) (( segid " " and resid 1025 and name HG2 )) ASSI { 2503} (( segid " " and resid 996 and name HA )) (( segid " " and resid 999 and name HD2 )) 2.900 1.100 1.100 peak 2503 spectrum 1 weight 0.10000E+01 volume 0.11252E-02 ppm1 4.171 ppm2 1.523 CV 1 ASSI { 725} (( segid " " and resid 988 and name HA )) ( segid " " and resid 987 and name HG2%) 2.900 1.100 1.100 peak 725 spectrum 1 weight 0.10000E+01 volume 0.21495E-02 ppm1 4.150 ppm2 0.804 CV 1 ASSI { 1653} (( segid " " and resid 1027 and name HB3 )) (( segid " " and resid 1028 and name H )) 3.300 1.300 1.300 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.68184E-03 ppm1 1.355 ppm2 8.589 CV 1 ASSI { 1714} (( segid " " and resid 917 and name HA )) (( segid " " and resid 918 and name H )) 3.500 1.600 1.600 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.70868E-03 ppm1 4.045 ppm2 8.750 CV 1 ASSI { 133} (( segid " " and resid 986 and name HA )) (( segid " " and resid 987 and name H )) 3.700 1.700 1.700 peak 133 spectrum 1 weight 0.10000E+01 volume 0.58777E-03 ppm1 4.036 ppm2 8.445 CV 1 ASSI { 2910} (( segid " " and resid 1026 and name HB2 )) (( segid " " and resid 1027 and name H )) 3.000 1.200 1.200 peak 2910 spectrum 1 weight 0.10000E+01 volume 0.11218E-02 ppm1 2.922 ppm2 8.798 CV 1 ASSI { 490} (( segid " " and resid 994 and name HA )) (( segid " " and resid 995 and name H )) 3.400 1.400 1.400 peak 490 spectrum 1 weight 0.10000E+01 volume 0.99417E-03 ppm1 3.812 ppm2 8.338 CV 1 ASSI { 2329} (( segid " " and resid 996 and name HG3 )) (( segid " " and resid 996 and name HA )) 4.000 2.000 2.000 peak 2329 spectrum 1 weight 0.10000E+01 volume 0.73893E-03 ppm1 1.762 ppm2 4.171 CV 1 ASSI { 3122} (( segid " " and resid 969 and name HA2 )) (( segid " " and resid 970 and name H )) 3.400 1.500 1.500 peak 3122 spectrum 1 weight 0.10000E+01 volume 0.12192E-02 ppm1 3.806 ppm2 8.057 CV 1 ASSI { 2618} ( segid " " and resid 928 and name HB% ) (( segid " " and resid 931 and name H )) 4.000 2.000 2.000 peak 2618 spectrum 1 weight 0.10000E+01 volume 0.64154E-03 ppm1 1.648 ppm2 8.045 CV 1 ASSI { 2208} ( segid " " and resid 931 and name HG2%) ( segid " " and resid 934 and name HB% ) 3.100 1.200 1.200 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.21831E-02 ppm1 0.960 ppm2 1.515 CV 1 ASSI { 3137} ( segid " " and resid 952 and name HD2%) (( segid " " and resid 952 and name HA )) 2.200 0.600 0.600 peak 3137 spectrum 1 weight 0.10000E+01 volume 0.94042E-02 ppm1 0.704 ppm2 3.897 CV 1 ASSI { 2971} (( segid " " and resid 993 and name HA )) (( segid " " and resid 962 and name HB2 )) 3.900 1.900 1.900 peak 2971 spectrum 1 weight 0.10000E+01 volume 0.64489E-03 ppm1 4.047 ppm2 2.721 CV 1 ASSI { 534} ( segid " " and resid 925 and name HB% ) (( segid " " and resid 922 and name HB3 )) 3.100 3.100 2.900 peak 534 spectrum 1 weight 0.10000E+01 volume 0.69864E-03 ppm1 1.232 ppm2 1.820 CV 1 OR { 534} ( segid " " and resid 925 and name HB% ) (( segid " " and resid 922 and name HB2 )) ASSI { 297} (( segid " " and resid 912 and name HA )) (( segid " " and resid 913 and name HG )) 3.400 1.500 1.500 peak 297 spectrum 1 weight 0.10000E+01 volume 0.10815E-02 ppm1 4.190 ppm2 1.721 CV 1 ASSI { 2319} ( segid " " and resid 925 and name HB% ) ( segid " " and resid 993 and name HD% ) 4.500 2.500 1.500 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.44335E-03 ppm1 1.233 ppm2 6.991 CV 1 ASSI { 972} (( segid " " and resid 926 and name H )) (( segid " " and resid 927 and name H )) 2.600 0.800 0.800 peak 972 spectrum 1 weight 0.10000E+01 volume 0.34009E-02 ppm1 7.902 ppm2 8.501 CV 1 ASSI { 967} (( segid " " and resid 1040 and name H )) ( segid " " and resid 1041 and name HB% ) 4.200 2.200 1.800 peak 967 spectrum 1 weight 0.10000E+01 volume 0.68070E-03 ppm1 8.321 ppm2 1.316 CV 1 ASSI { 872} (( segid " " and resid 1020 and name H )) (( segid " " and resid 1020 and name HB3 )) 3.100 1.200 1.200 peak 872 spectrum 1 weight 0.10000E+01 volume 0.32036E-02 ppm1 7.955 ppm2 1.944 CV 1 ASSI { 1089} (( segid " " and resid 984 and name H )) (( segid " " and resid 983 and name HB2 )) 2.800 1.000 1.000 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.17017E-02 ppm1 8.314 ppm2 2.199 CV 1 ASSI { 124} (( segid " " and resid 1043 and name H )) (( segid " " and resid 1042 and name H )) 2.400 0.700 0.700 peak 124 spectrum 1 weight 0.10000E+01 volume 0.44565E-02 ppm1 7.528 ppm2 7.738 CV 1 ASSI { 1148} (( segid " " and resid 925 and name H )) (( segid " " and resid 924 and name H )) 2.600 0.800 0.800 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.29274E-02 ppm1 8.121 ppm2 8.219 CV 1 ASSI { 386} (( segid " " and resid 1039 and name H )) (( segid " " and resid 1040 and name H )) 2.500 0.800 0.800 peak 386 spectrum 1 weight 0.10000E+01 volume 0.37166E-02 ppm1 7.845 ppm2 8.319 CV 1 ASSI { 434} (( segid " " and resid 990 and name H )) ( segid " " and resid 986 and name HD2%) 3.600 1.600 1.600 peak 434 spectrum 1 weight 0.10000E+01 volume 0.87800E-03 ppm1 8.117 ppm2 0.685 CV 1 ASSI { 845} (( segid " " and resid 974 and name H )) (( segid " " and resid 973 and name H )) 2.700 0.900 0.900 peak 845 spectrum 1 weight 0.10000E+01 volume 0.23577E-02 ppm1 8.176 ppm2 7.286 CV 1 ASSI { 1142} (( segid " " and resid 955 and name H )) ( segid " " and resid 1003 and name HB% ) 4.200 2.200 1.800 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.41186E-03 ppm1 8.172 ppm2 1.339 CV 1 ASSI { 539} (( segid " " and resid 1030 and name H )) (( segid " " and resid 1031 and name HG )) 4.500 2.500 1.500 peak 539 spectrum 1 weight 0.10000E+01 volume 0.41433E-03 ppm1 8.276 ppm2 2.025 CV 1 OR { 539} (( segid " " and resid 1030 and name H )) (( segid " " and resid 1031 and name HB2 )) ASSI { 541} (( segid " " and resid 999 and name H )) (( segid " " and resid 998 and name H )) 2.600 0.800 0.800 peak 541 spectrum 1 weight 0.10000E+01 volume 0.33072E-02 ppm1 7.752 ppm2 8.273 CV 1 ASSI { 1116} (( segid " " and resid 933 and name H )) (( segid " " and resid 932 and name HB )) 2.700 0.900 0.900 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.26833E-02 ppm1 7.552 ppm2 1.839 CV 1 ASSI { 377} (( segid " " and resid 988 and name H )) (( segid " " and resid 989 and name H )) 2.600 0.900 0.900 peak 377 spectrum 1 weight 0.10000E+01 volume 0.30211E-02 ppm1 8.514 ppm2 8.246 CV 1 ASSI { 521} (( segid " " and resid 969 and name H )) ( segid " " and resid 986 and name HD2%) 4.100 2.100 1.900 peak 521 spectrum 1 weight 0.10000E+01 volume 0.51791E-03 ppm1 7.983 ppm2 0.676 CV 1 ASSI { 475} (( segid " " and resid 918 and name H )) (( segid " " and resid 917 and name HB3 )) 3.300 1.400 1.400 peak 475 spectrum 1 weight 0.10000E+01 volume 0.79167E-03 ppm1 8.747 ppm2 1.114 CV 1 ASSI { 1115} (( segid " " and resid 963 and name H )) (( segid " " and resid 963 and name HB )) 2.400 0.700 0.700 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.36500E-02 ppm1 7.923 ppm2 1.989 CV 1 ASSI { 986} (( segid " " and resid 984 and name H )) (( segid " " and resid 984 and name HA )) 2.700 0.900 0.900 peak 986 spectrum 1 weight 0.10000E+01 volume 0.25575E-02 ppm1 8.313 ppm2 3.978 CV 1 ASSI { 999} (( segid " " and resid 994 and name H )) (( segid " " and resid 994 and name HB3 )) 3.300 1.400 1.400 peak 999 spectrum 1 weight 0.10000E+01 volume 0.28460E-02 ppm1 7.246 ppm2 1.925 CV 1 ASSI { 570} (( segid " " and resid 965 and name H )) (( segid " " and resid 965 and name HB2 )) 2.500 0.800 0.800 peak 570 spectrum 1 weight 0.10000E+01 volume 0.25994E-02 ppm1 6.857 ppm2 1.563 CV 1 ASSI { 494} (( segid " " and resid 991 and name H )) (( segid " " and resid 990 and name HB2 )) 2.400 0.700 0.700 peak 494 spectrum 1 weight 0.10000E+01 volume 0.30705E-02 ppm1 8.262 ppm2 4.140 CV 1 ASSI { 339} (( segid " " and resid 917 and name H )) (( segid " " and resid 916 and name H )) 2.800 1.000 1.000 peak 339 spectrum 1 weight 0.10000E+01 volume 0.19977E-02 ppm1 7.590 ppm2 8.254 CV 1 ASSI { 179} (( segid " " and resid 1006 and name H )) (( segid " " and resid 1005 and name H )) 2.600 0.800 0.800 peak 179 spectrum 1 weight 0.10000E+01 volume 0.31321E-02 ppm1 7.790 ppm2 8.232 CV 1 ASSI { 832} (( segid " " and resid 935 and name H )) (( segid " " and resid 935 and name HA )) 2.700 0.900 0.900 peak 832 spectrum 1 weight 0.10000E+01 volume 0.32110E-02 ppm1 8.784 ppm2 3.902 CV 1 ASSI { 949} (( segid " " and resid 919 and name H )) (( segid " " and resid 920 and name H )) 2.700 0.900 0.900 peak 949 spectrum 1 weight 0.10000E+01 volume 0.27967E-02 ppm1 8.052 ppm2 8.363 CV 1 ASSI { 442} (( segid " " and resid 918 and name H )) (( segid " " and resid 919 and name H )) 2.900 1.000 1.000 peak 442 spectrum 1 weight 0.10000E+01 volume 0.16524E-02 ppm1 8.748 ppm2 8.050 CV 1 ASSI { 1063} (( segid " " and resid 1017 and name H )) (( segid " " and resid 1018 and name H )) 2.700 0.900 0.900 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.23232E-02 ppm1 8.473 ppm2 8.359 CV 1 ASSI { 974} (( segid " " and resid 988 and name H )) (( segid " " and resid 984 and name HA )) 3.500 1.500 1.500 peak 974 spectrum 1 weight 0.10000E+01 volume 0.79412E-03 ppm1 8.513 ppm2 3.976 CV 1 ASSI { 181} (( segid " " and resid 958 and name H )) (( segid " " and resid 957 and name HA )) 3.300 1.400 1.400 peak 181 spectrum 1 weight 0.10000E+01 volume 0.11370E-02 ppm1 7.565 ppm2 3.935 CV 1 ASSI { 201} (( segid " " and resid 1042 and name H )) (( segid " " and resid 1039 and name HA )) 3.000 1.200 1.200 peak 201 spectrum 1 weight 0.10000E+01 volume 0.17461E-02 ppm1 7.739 ppm2 3.954 CV 1 ASSI { 590} (( segid " " and resid 1021 and name H )) (( segid " " and resid 1020 and name HB3 )) 2.900 1.000 1.000 peak 590 spectrum 1 weight 0.10000E+01 volume 0.19508E-02 ppm1 8.397 ppm2 1.945 CV 1 ASSI { 647} (( segid " " and resid 934 and name H )) (( segid " " and resid 933 and name H )) 2.700 0.900 0.900 peak 647 spectrum 1 weight 0.10000E+01 volume 0.27548E-02 ppm1 7.982 ppm2 7.552 CV 1 ASSI { 588} (( segid " " and resid 1032 and name H )) (( segid " " and resid 1031 and name HB3 )) 3.700 1.700 1.700 peak 588 spectrum 1 weight 0.10000E+01 volume 0.11961E-02 ppm1 7.710 ppm2 1.472 CV 1 ASSI { 939} (( segid " " and resid 1042 and name H )) (( segid " " and resid 1040 and name H )) 4.200 2.200 1.800 peak 939 spectrum 1 weight 0.10000E+01 volume 0.33047E-03 ppm1 7.742 ppm2 8.321 CV 1 ASSI { 677} (( segid " " and resid 1024 and name H )) (( segid " " and resid 1024 and name HA )) 2.700 0.900 0.900 peak 677 spectrum 1 weight 0.10000E+01 volume 0.32875E-02 ppm1 8.662 ppm2 3.921 CV 1 ASSI { 183} (( segid " " and resid 1037 and name H )) (( segid " " and resid 1037 and name HA )) 2.600 0.800 0.800 peak 183 spectrum 1 weight 0.10000E+01 volume 0.44269E-02 ppm1 8.534 ppm2 3.957 CV 1 ASSI { 1100} (( segid " " and resid 918 and name H )) ( segid " " and resid 986 and name HD1%) 3.400 1.400 1.400 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.14921E-02 ppm1 8.747 ppm2 0.860 CV 1 ASSI { 233} (( segid " " and resid 918 and name H )) (( segid " " and resid 918 and name HB3 )) 3.700 1.800 1.800 peak 233 spectrum 1 weight 0.10000E+01 volume 0.16499E-02 ppm1 8.747 ppm2 1.705 CV 1 ASSI { 1025} (( segid " " and resid 1041 and name H )) (( segid " " and resid 1040 and name HG2 )) 4.400 2.400 1.600 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.48091E-03 ppm1 7.621 ppm2 1.573 CV 1 ASSI { 195} (( segid " " and resid 995 and name H )) (( segid " " and resid 994 and name HB2 )) 2.800 1.000 1.000 peak 195 spectrum 1 weight 0.10000E+01 volume 0.13244E-02 ppm1 8.343 ppm2 1.449 CV 1 ASSI { 375} (( segid " " and resid 962 and name HE22)) (( segid " " and resid 962 and name HE21)) 1.600 0.300 0.600 peak 375 spectrum 1 weight 0.10000E+01 volume 0.31324E-01 ppm1 6.610 ppm2 7.613 CV 1 ASSI { 513} (( segid " " and resid 1010 and name H )) (( segid " " and resid 1008 and name HA )) 3.600 1.600 1.600 peak 513 spectrum 1 weight 0.10000E+01 volume 0.56970E-03 ppm1 7.725 ppm2 3.629 CV 1 ASSI { 962} (( segid " " and resid 918 and name H )) (( segid " " and resid 918 and name HG3 )) 2.600 0.800 0.800 peak 962 spectrum 1 weight 0.10000E+01 volume 0.25033E-02 ppm1 8.747 ppm2 2.438 CV 1 ASSI { 1132} (( segid " " and resid 1028 and name H )) (( segid " " and resid 1027 and name H )) 2.800 1.000 1.000 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.21629E-02 ppm1 8.584 ppm2 8.792 CV 1 ASSI { 1136} (( segid " " and resid 957 and name H )) (( segid " " and resid 956 and name HA )) 3.700 1.700 1.700 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.59927E-03 ppm1 7.592 ppm2 4.231 CV 1 ASSI { 1081} (( segid " " and resid 1024 and name H )) (( segid " " and resid 1025 and name HB2 )) 4.500 2.600 1.500 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.53764E-03 ppm1 8.661 ppm2 1.902 CV 1 OR { 1081} (( segid " " and resid 1024 and name H )) (( segid " " and resid 1025 and name HB3 )) ASSI { 228} (( segid " " and resid 1017 and name H )) (( segid " " and resid 1016 and name HA )) 3.600 1.600 1.600 peak 228 spectrum 1 weight 0.10000E+01 volume 0.69792E-03 ppm1 8.472 ppm2 4.205 CV 1 ASSI { 157} (( segid " " and resid 1036 and name H )) (( segid " " and resid 1038 and name H )) 4.100 2.100 1.900 peak 157 spectrum 1 weight 0.10000E+01 volume 0.44886E-03 ppm1 7.944 ppm2 8.723 CV 1 ASSI { 1056} (( segid " " and resid 979 and name H )) (( segid " " and resid 978 and name H )) 2.600 0.800 0.800 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.40619E-02 ppm1 7.429 ppm2 8.371 CV 1 ASSI { 30} (( segid " " and resid 1002 and name H )) ( segid " " and resid 1003 and name HB% ) 4.500 2.500 1.500 peak 30 spectrum 1 weight 0.10000E+01 volume 0.60423E-03 ppm1 7.631 ppm2 1.336 CV 1 ASSI { 75} (( segid " " and resid 1005 and name H )) ( segid " " and resid 1004 and name HB% ) 2.600 0.900 0.900 peak 75 spectrum 1 weight 0.10000E+01 volume 0.35514E-02 ppm1 8.231 ppm2 1.280 CV 1 ASSI { 933} (( segid " " and resid 1037 and name H )) ( segid " " and resid 917 and name HD2%) 4.100 2.100 1.900 peak 933 spectrum 1 weight 0.10000E+01 volume 0.65601E-03 ppm1 8.534 ppm2 0.856 CV 1 ASSI { 221} (( segid " " and resid 951 and name H )) (( segid " " and resid 951 and name HB3 )) 3.500 1.500 1.500 peak 221 spectrum 1 weight 0.10000E+01 volume 0.17214E-02 ppm1 7.923 ppm2 1.533 CV 1 OR { 221} (( segid " " and resid 951 and name H )) (( segid " " and resid 951 and name HG )) ASSI { 529} (( segid " " and resid 987 and name H )) (( segid " " and resid 986 and name HB3 )) 3.100 1.200 1.200 peak 529 spectrum 1 weight 0.10000E+01 volume 0.94951E-03 ppm1 8.443 ppm2 1.382 CV 1 ASSI { 165} (( segid " " and resid 983 and name H )) (( segid " " and resid 982 and name H )) 2.600 0.900 0.900 peak 165 spectrum 1 weight 0.10000E+01 volume 0.27227E-02 ppm1 7.787 ppm2 8.063 CV 1 ASSI { 628} (( segid " " and resid 1006 and name H )) ( segid " " and resid 1006 and name HB% ) 2.300 0.600 0.600 peak 628 spectrum 1 weight 0.10000E+01 volume 0.94676E-02 ppm1 7.791 ppm2 1.418 CV 1 ASSI { 55} (( segid " " and resid 1042 and name HE21)) (( segid " " and resid 1042 and name HE22)) 1.500 0.300 0.700 peak 55 spectrum 1 weight 0.10000E+01 volume 0.42614E-01 ppm1 7.415 ppm2 6.663 CV 1 ASSI { 411} (( segid " " and resid 1007 and name H )) (( segid " " and resid 1006 and name H )) 2.600 0.800 0.800 peak 411 spectrum 1 weight 0.10000E+01 volume 0.33417E-02 ppm1 7.636 ppm2 7.789 CV 1 ASSI { 223} (( segid " " and resid 963 and name H )) (( segid " " and resid 962 and name H )) 2.300 0.600 0.600 peak 223 spectrum 1 weight 0.10000E+01 volume 0.35243E-02 ppm1 7.923 ppm2 7.461 CV 1 ASSI { 414} (( segid " " and resid 1035 and name H )) (( segid " " and resid 1034 and name HB2 )) 3.700 1.700 1.700 peak 414 spectrum 1 weight 0.10000E+01 volume 0.16031E-02 ppm1 8.521 ppm2 2.200 CV 1 ASSI { 1059} (( segid " " and resid 975 and name H )) (( segid " " and resid 974 and name HA )) 3.100 1.200 1.200 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.16919E-02 ppm1 7.729 ppm2 3.950 CV 1 ASSI { 534} (( segid " " and resid 1023 and name H )) (( segid " " and resid 1022 and name HB2 )) 3.700 1.700 1.700 peak 534 spectrum 1 weight 0.10000E+01 volume 0.20840E-02 ppm1 8.371 ppm2 2.109 CV 1 ASSI { 743} (( segid " " and resid 961 and name H )) (( segid " " and resid 960 and name HA )) 3.300 1.400 1.400 peak 743 spectrum 1 weight 0.10000E+01 volume 0.10679E-02 ppm1 7.462 ppm2 3.930 CV 1 ASSI { 888} (( segid " " and resid 995 and name H )) (( segid " " and resid 996 and name HD2 )) 2.400 0.700 0.700 peak 888 spectrum 1 weight 0.10000E+01 volume 0.42370E-02 ppm1 8.343 ppm2 4.060 CV 1 ASSI { 191} (( segid " " and resid 937 and name H )) (( segid " " and resid 936 and name HA )) 3.500 1.600 1.600 peak 191 spectrum 1 weight 0.10000E+01 volume 0.71765E-03 ppm1 7.932 ppm2 3.946 CV 1 ASSI { 603} (( segid " " and resid 936 and name H )) (( segid " " and resid 935 and name H )) 2.600 0.900 0.900 peak 603 spectrum 1 weight 0.10000E+01 volume 0.25821E-02 ppm1 8.456 ppm2 8.782 CV 1 ASSI { 767} (( segid " " and resid 1021 and name H )) (( segid " " and resid 1020 and name HB2 )) 3.400 1.400 1.400 peak 767 spectrum 1 weight 0.10000E+01 volume 0.10555E-02 ppm1 8.395 ppm2 1.228 CV 1 ASSI { 632} (( segid " " and resid 1038 and name H )) ( segid " " and resid 917 and name HD1%) 3.800 1.800 1.800 peak 632 spectrum 1 weight 0.10000E+01 volume 0.61409E-03 ppm1 8.723 ppm2 0.700 CV 1 ASSI { 304} (( segid " " and resid 1036 and name H )) (( segid " " and resid 1035 and name HB2 )) 3.700 1.700 1.700 peak 304 spectrum 1 weight 0.10000E+01 volume 0.19508E-02 ppm1 7.942 ppm2 1.971 CV 1 ASSI { 779} (( segid " " and resid 1026 and name H )) (( segid " " and resid 1027 and name H )) 2.700 0.900 0.900 peak 779 spectrum 1 weight 0.10000E+01 volume 0.26389E-02 ppm1 8.127 ppm2 8.793 CV 1 ASSI { 919} (( segid " " and resid 983 and name H )) (( segid " " and resid 984 and name H )) 2.600 0.800 0.800 peak 919 spectrum 1 weight 0.10000E+01 volume 0.29767E-02 ppm1 7.787 ppm2 8.311 CV 1 ASSI { 583} (( segid " " and resid 969 and name H )) (( segid " " and resid 968 and name H )) 2.600 0.900 0.900 peak 583 spectrum 1 weight 0.10000E+01 volume 0.32480E-02 ppm1 7.982 ppm2 8.192 CV 1 ASSI { 637} (( segid " " and resid 1029 and name H )) (( segid " " and resid 1030 and name H )) 2.500 0.800 0.800 peak 637 spectrum 1 weight 0.10000E+01 volume 0.37980E-02 ppm1 8.077 ppm2 8.276 CV 1 ASSI { 1160} (( segid " " and resid 983 and name H )) (( segid " " and resid 982 and name HA )) 3.300 1.300 1.300 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.14304E-02 ppm1 7.788 ppm2 4.093 CV 1 ASSI { 960} (( segid " " and resid 970 and name H )) (( segid " " and resid 971 and name H )) 2.700 0.900 0.900 peak 960 spectrum 1 weight 0.10000E+01 volume 0.23355E-02 ppm1 8.052 ppm2 8.293 CV 1 ASSI { 405} (( segid " " and resid 915 and name H )) (( segid " " and resid 916 and name H )) 2.700 0.900 0.900 peak 405 spectrum 1 weight 0.10000E+01 volume 0.25106E-02 ppm1 7.782 ppm2 8.253 CV 1 ASSI { 864} (( segid " " and resid 1035 and name H )) ( segid " " and resid 994 and name HD2%) 2.800 1.000 1.000 peak 864 spectrum 1 weight 0.10000E+01 volume 0.31839E-02 ppm1 8.519 ppm2 0.920 CV 1 OR { 864} (( segid " " and resid 1035 and name H )) ( segid " " and resid 994 and name HD1%) ASSI { 658} (( segid " " and resid 1011 and name H )) (( segid " " and resid 1011 and name HB )) 2.400 0.700 0.700 peak 658 spectrum 1 weight 0.10000E+01 volume 0.45502E-02 ppm1 7.303 ppm2 1.851 CV 1 ASSI { 821} (( segid " " and resid 943 and name H )) (( segid " " and resid 943 and name HG2 )) 3.200 1.300 1.300 peak 821 spectrum 1 weight 0.10000E+01 volume 0.11961E-02 ppm1 8.343 ppm2 1.373 CV 1 OR { 821} (( segid " " and resid 943 and name H )) (( segid " " and resid 943 and name HG3 )) ASSI { 819} (( segid " " and resid 993 and name H )) ( segid " " and resid 993 and name HD% ) 3.800 1.800 1.800 peak 819 spectrum 1 weight 0.10000E+01 volume 0.13416E-02 ppm1 7.671 ppm2 6.992 CV 1 ASSI { 379} (( segid " " and resid 1002 and name H )) (( segid " " and resid 1003 and name H )) 2.500 0.800 0.800 peak 379 spectrum 1 weight 0.10000E+01 volume 0.36673E-02 ppm1 7.630 ppm2 8.344 CV 1 ASSI { 516} (( segid " " and resid 997 and name H )) (( segid " " and resid 996 and name HB3 )) 3.700 1.700 1.700 peak 516 spectrum 1 weight 0.10000E+01 volume 0.11665E-02 ppm1 7.834 ppm2 1.422 CV 1 ASSI { 118} (( segid " " and resid 973 and name H )) (( segid " " and resid 973 and name HA )) 2.700 0.900 0.900 peak 118 spectrum 1 weight 0.10000E+01 volume 0.29940E-02 ppm1 7.290 ppm2 3.999 CV 1 ASSI { 1133} (( segid " " and resid 1033 and name H )) (( segid " " and resid 1033 and name HB2 )) 3.200 1.300 1.300 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.37166E-02 ppm1 7.836 ppm2 2.080 CV 1 ASSI { 804} (( segid " " and resid 924 and name H )) (( segid " " and resid 923 and name HA )) 3.300 1.400 1.400 peak 804 spectrum 1 weight 0.10000E+01 volume 0.11271E-02 ppm1 8.223 ppm2 4.057 CV 1 ASSI { 926} (( segid " " and resid 1016 and name H )) ( segid " " and resid 1015 and name HB% ) 2.600 0.800 0.800 peak 926 spectrum 1 weight 0.10000E+01 volume 0.43381E-02 ppm1 7.966 ppm2 1.442 CV 1 ASSI { 128} (( segid " " and resid 1024 and name H )) (( segid " " and resid 1023 and name H )) 2.700 0.900 0.900 peak 128 spectrum 1 weight 0.10000E+01 volume 0.26709E-02 ppm1 8.661 ppm2 8.371 CV 1 ASSI { 466} (( segid " " and resid 1005 and name H )) ( segid " " and resid 1024 and name HB% ) 3.300 1.300 1.300 peak 466 spectrum 1 weight 0.10000E+01 volume 0.19064E-02 ppm1 8.232 ppm2 1.421 CV 1 ASSI { 614} (( segid " " and resid 961 and name H )) (( segid " " and resid 963 and name H )) 4.800 2.900 1.200 peak 614 spectrum 1 weight 0.10000E+01 volume 0.39213E-03 ppm1 7.466 ppm2 7.921 CV 1 ASSI { 983} (( segid " " and resid 932 and name H )) (( segid " " and resid 933 and name H )) 2.800 1.000 1.000 peak 983 spectrum 1 weight 0.10000E+01 volume 0.19927E-02 ppm1 8.384 ppm2 7.551 CV 1 ASSI { 935} (( segid " " and resid 981 and name H )) (( segid " " and resid 980 and name HB2 )) 3.300 1.400 1.400 peak 935 spectrum 1 weight 0.10000E+01 volume 0.93720E-03 ppm1 7.900 ppm2 1.948 CV 1 ASSI { 793} (( segid " " and resid 991 and name HE21)) (( segid " " and resid 991 and name HE22)) 1.600 0.300 0.600 peak 793 spectrum 1 weight 0.10000E+01 volume 0.30078E-01 ppm1 7.188 ppm2 6.595 CV 1 ASSI { 204} (( segid " " and resid 965 and name H )) (( segid " " and resid 966 and name H )) 2.500 0.800 0.800 peak 204 spectrum 1 weight 0.10000E+01 volume 0.43060E-02 ppm1 6.856 ppm2 7.927 CV 1 ASSI { 876} (( segid " " and resid 918 and name H )) (( segid " " and resid 917 and name HB2 )) 3.400 1.400 1.400 peak 876 spectrum 1 weight 0.10000E+01 volume 0.11961E-02 ppm1 8.747 ppm2 2.174 CV 1 ASSI { 340} (( segid " " and resid 955 and name H )) (( segid " " and resid 954 and name HB2 )) 2.800 0.900 0.900 peak 340 spectrum 1 weight 0.10000E+01 volume 0.29620E-02 ppm1 8.172 ppm2 2.064 CV 1 OR { 340} (( segid " " and resid 955 and name H )) (( segid " " and resid 954 and name HB3 )) ASSI { 897} (( segid " " and resid 1040 and name H )) (( segid " " and resid 1040 and name HB3 )) 3.300 1.300 1.300 peak 897 spectrum 1 weight 0.10000E+01 volume 0.34848E-02 ppm1 8.322 ppm2 1.826 CV 1 ASSI { 737} (( segid " " and resid 1016 and name H )) (( segid " " and resid 1017 and name H )) 2.600 0.900 0.900 peak 737 spectrum 1 weight 0.10000E+01 volume 0.29990E-02 ppm1 7.966 ppm2 8.471 CV 1 ASSI { 525} (( segid " " and resid 1018 and name H )) (( segid " " and resid 1018 and name HA )) 2.700 0.900 0.900 peak 525 spectrum 1 weight 0.10000E+01 volume 0.31099E-02 ppm1 8.358 ppm2 4.190 CV 1 ASSI { 548} (( segid " " and resid 991 and name H )) ( segid " " and resid 994 and name HD1%) 4.400 2.400 1.600 peak 548 spectrum 1 weight 0.10000E+01 volume 0.56230E-03 ppm1 8.259 ppm2 0.919 CV 1 ASSI { 13} (( segid " " and resid 987 and name H )) (( segid " " and resid 986 and name HB2 )) 3.400 1.400 1.400 peak 13 spectrum 1 weight 0.10000E+01 volume 0.11123E-02 ppm1 8.442 ppm2 2.107 CV 1 ASSI { 123} (( segid " " and resid 1024 and name H )) ( segid " " and resid 1020 and name HD2%) 3.100 1.200 1.200 peak 123 spectrum 1 weight 0.10000E+01 volume 0.73248E-03 ppm1 8.662 ppm2 0.818 CV 1 ASSI { 82} (( segid " " and resid 1019 and name H )) (( segid " " and resid 1018 and name H )) 2.500 0.800 0.800 peak 82 spectrum 1 weight 0.10000E+01 volume 0.36697E-02 ppm1 7.922 ppm2 8.357 CV 1 ASSI { 859} (( segid " " and resid 1033 and name H )) (( segid " " and resid 1034 and name H )) 2.700 0.900 0.900 peak 859 spectrum 1 weight 0.10000E+01 volume 0.23700E-02 ppm1 7.837 ppm2 8.175 CV 1 ASSI { 484} (( segid " " and resid 981 and name H )) (( segid " " and resid 982 and name H )) 3.000 1.100 1.100 peak 484 spectrum 1 weight 0.10000E+01 volume 0.15020E-02 ppm1 7.900 ppm2 8.062 CV 1 ASSI { 28} (( segid " " and resid 974 and name H )) (( segid " " and resid 975 and name H )) 2.700 0.900 0.900 peak 28 spectrum 1 weight 0.10000E+01 volume 0.27055E-02 ppm1 8.177 ppm2 7.728 CV 1 ASSI { 835} (( segid " " and resid 936 and name H )) (( segid " " and resid 936 and name HB2 )) 2.600 0.800 0.800 peak 835 spectrum 1 weight 0.10000E+01 volume 0.29940E-02 ppm1 8.455 ppm2 2.131 CV 1 ASSI { 815} (( segid " " and resid 929 and name H )) ( segid " " and resid 963 and name HD1%) 3.200 1.300 1.300 peak 815 spectrum 1 weight 0.10000E+01 volume 0.12578E-02 ppm1 8.338 ppm2 0.933 CV 1 OR { 815} (( segid " " and resid 929 and name H )) (( segid " " and resid 963 and name HG12)) ASSI { 742} (( segid " " and resid 1005 and name H )) (( segid " " and resid 1005 and name HB2 )) 2.400 0.700 0.700 peak 742 spectrum 1 weight 0.10000E+01 volume 0.58696E-02 ppm1 8.231 ppm2 1.795 CV 1 OR { 742} (( segid " " and resid 1005 and name H )) (( segid " " and resid 1005 and name HB3 )) ASSI { 217} (( segid " " and resid 918 and name H )) (( segid " " and resid 918 and name HB2 )) 2.700 0.900 0.900 peak 217 spectrum 1 weight 0.10000E+01 volume 0.20692E-02 ppm1 8.748 ppm2 2.348 CV 1 ASSI { 477} (( segid " " and resid 954 and name H )) (( segid " " and resid 954 and name HA )) 2.800 1.000 1.000 peak 477 spectrum 1 weight 0.10000E+01 volume 0.25230E-02 ppm1 8.193 ppm2 3.960 CV 1 ASSI { 1145} (( segid " " and resid 1021 and name H )) ( segid " " and resid 1020 and name HD2%) 4.400 2.500 1.600 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.42912E-03 ppm1 8.395 ppm2 0.819 CV 1 ASSI { 900} (( segid " " and resid 958 and name H )) (( segid " " and resid 957 and name HB2 )) 2.600 0.900 0.900 peak 900 spectrum 1 weight 0.10000E+01 volume 0.41186E-02 ppm1 7.564 ppm2 1.851 CV 1 OR { 900} (( segid " " and resid 958 and name H )) (( segid " " and resid 957 and name HB3 )) ASSI { 633} (( segid " " and resid 913 and name H )) (( segid " " and resid 913 and name HG )) 2.700 0.900 0.900 peak 633 spectrum 1 weight 0.10000E+01 volume 0.24835E-02 ppm1 8.216 ppm2 1.723 CV 1 ASSI { 1007} (( segid " " and resid 952 and name H )) (( segid " " and resid 952 and name HA )) 3.100 1.200 1.200 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.10999E-02 ppm1 8.001 ppm2 3.907 CV 1 ASSI { 1114} (( segid " " and resid 1035 and name H )) (( segid " " and resid 1035 and name HG3 )) 4.700 2.700 1.300 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.48832E-03 ppm1 8.520 ppm2 1.612 CV 1 ASSI { 680} (( segid " " and resid 976 and name H )) (( segid " " and resid 975 and name H )) 2.400 0.700 0.700 peak 680 spectrum 1 weight 0.10000E+01 volume 0.52925E-02 ppm1 7.048 ppm2 7.728 CV 1 ASSI { 569} (( segid " " and resid 923 and name H )) (( segid " " and resid 924 and name H )) 2.500 0.800 0.800 peak 569 spectrum 1 weight 0.10000E+01 volume 0.31173E-02 ppm1 8.120 ppm2 8.220 CV 1 ASSI { 243} (( segid " " and resid 1029 and name H )) (( segid " " and resid 1026 and name HA )) 3.300 1.300 1.300 peak 243 spectrum 1 weight 0.10000E+01 volume 0.11074E-02 ppm1 8.077 ppm2 4.413 CV 1 ASSI { 707} (( segid " " and resid 1041 and name H )) ( segid " " and resid 913 and name HD2%) 3.400 1.400 1.400 peak 707 spectrum 1 weight 0.10000E+01 volume 0.40693E-03 ppm1 7.616 ppm2 0.787 CV 1 ASSI { 85} (( segid " " and resid 1026 and name H )) (( segid " " and resid 1027 and name HB3 )) 4.100 2.100 1.900 peak 85 spectrum 1 weight 0.10000E+01 volume 0.81881E-03 ppm1 8.126 ppm2 1.351 CV 1 ASSI { 406} (( segid " " and resid 934 and name H )) (( segid " " and resid 935 and name H )) 2.600 0.800 0.800 peak 406 spectrum 1 weight 0.10000E+01 volume 0.30803E-02 ppm1 7.983 ppm2 8.782 CV 1 ASSI { 735} (( segid " " and resid 955 and name H )) (( segid " " and resid 954 and name HA )) 3.700 1.700 1.700 peak 735 spectrum 1 weight 0.10000E+01 volume 0.63873E-03 ppm1 8.173 ppm2 3.958 CV 1 ASSI { 14} (( segid " " and resid 963 and name H )) (( segid " " and resid 963 and name HG12)) 3.200 1.300 1.300 peak 14 spectrum 1 weight 0.10000E+01 volume 0.30927E-02 ppm1 7.924 ppm2 0.929 CV 1 OR { 14} (( segid " " and resid 963 and name H )) ( segid " " and resid 963 and name HD1%) ASSI { 323} (( segid " " and resid 959 and name H )) ( segid " " and resid 960 and name HB% ) 4.500 2.500 1.500 peak 323 spectrum 1 weight 0.10000E+01 volume 0.56970E-03 ppm1 7.546 ppm2 1.501 CV 1 ASSI { 77} (( segid " " and resid 991 and name HE22)) (( segid " " and resid 991 and name HG3 )) 4.400 2.400 1.600 peak 77 spectrum 1 weight 0.10000E+01 volume 0.54997E-03 ppm1 6.595 ppm2 2.510 CV 1 ASSI { 452} (( segid " " and resid 988 and name H )) (( segid " " and resid 987 and name HG13)) 3.800 1.800 1.800 peak 452 spectrum 1 weight 0.10000E+01 volume 0.13909E-02 ppm1 8.513 ppm2 0.711 CV 1 OR { 452} (( segid " " and resid 988 and name H )) ( segid " " and resid 987 and name HD1%) ASSI { 395} (( segid " " and resid 920 and name H )) (( segid " " and resid 921 and name H )) 2.600 0.900 0.900 peak 395 spectrum 1 weight 0.10000E+01 volume 0.29200E-02 ppm1 8.368 ppm2 9.022 CV 1 ASSI { 828} (( segid " " and resid 1040 and name H )) (( segid " " and resid 1040 and name HG2 )) 3.200 1.300 1.300 peak 828 spectrum 1 weight 0.10000E+01 volume 0.32012E-02 ppm1 8.323 ppm2 1.570 CV 1 OR { 828} (( segid " " and resid 1040 and name H )) (( segid " " and resid 1040 and name HD2 )) ASSI { 100} (( segid " " and resid 1041 and name H )) (( segid " " and resid 1039 and name H )) 4.300 2.300 1.700 peak 100 spectrum 1 weight 0.10000E+01 volume 0.39460E-03 ppm1 7.619 ppm2 7.847 CV 1 ASSI { 572} (( segid " " and resid 1025 and name H )) (( segid " " and resid 1024 and name H )) 2.600 0.900 0.900 peak 572 spectrum 1 weight 0.10000E+01 volume 0.29077E-02 ppm1 7.950 ppm2 8.662 CV 1 ASSI { 848} (( segid " " and resid 933 and name H )) (( segid " " and resid 935 and name H )) 4.600 2.600 1.400 peak 848 spectrum 1 weight 0.10000E+01 volume 0.25649E-03 ppm1 7.556 ppm2 8.781 CV 1 ASSI { 938} (( segid " " and resid 986 and name H )) (( segid " " and resid 986 and name HB2 )) 2.400 0.700 0.700 peak 938 spectrum 1 weight 0.10000E+01 volume 0.33960E-02 ppm1 7.562 ppm2 2.104 CV 1 ASSI { 192} (( segid " " and resid 966 and name H )) (( segid " " and resid 965 and name HB3 )) 3.100 1.200 1.200 peak 192 spectrum 1 weight 0.10000E+01 volume 0.18596E-02 ppm1 7.930 ppm2 2.069 CV 1 ASSI { 430} (( segid " " and resid 961 and name H )) (( segid " " and resid 961 and name HB3 )) 2.500 0.800 0.800 peak 430 spectrum 1 weight 0.10000E+01 volume 0.56181E-02 ppm1 7.462 ppm2 2.074 CV 1 OR { 430} (( segid " " and resid 961 and name H )) (( segid " " and resid 961 and name HB2 )) ASSI { 985} (( segid " " and resid 1026 and name H )) (( segid " " and resid 1026 and name HB2 )) 2.500 0.800 0.800 peak 985 spectrum 1 weight 0.10000E+01 volume 0.33862E-02 ppm1 8.127 ppm2 2.927 CV 1 ASSI { 317} (( segid " " and resid 967 and name H )) (( segid " " and resid 966 and name H )) 2.700 0.900 0.900 peak 317 spectrum 1 weight 0.10000E+01 volume 0.26463E-02 ppm1 8.220 ppm2 7.928 CV 1 ASSI { 618} (( segid " " and resid 968 and name H )) (( segid " " and resid 968 and name HG2 )) 4.100 2.100 1.900 peak 618 spectrum 1 weight 0.10000E+01 volume 0.10679E-02 ppm1 8.193 ppm2 2.350 CV 1 ASSI { 932} (( segid " " and resid 917 and name H )) (( segid " " and resid 916 and name HB3 )) 3.100 1.200 1.200 peak 932 spectrum 1 weight 0.10000E+01 volume 0.18004E-02 ppm1 7.590 ppm2 1.851 CV 1 OR { 932} (( segid " " and resid 917 and name H )) (( segid " " and resid 916 and name HB2 )) ASSI { 384} (( segid " " and resid 937 and name H )) (( segid " " and resid 936 and name HB2 )) 3.300 1.400 1.400 peak 384 spectrum 1 weight 0.10000E+01 volume 0.11098E-02 ppm1 7.930 ppm2 2.134 CV 1 ASSI { 528} (( segid " " and resid 1032 and name H )) (( segid " " and resid 1031 and name H )) 2.600 0.800 0.800 peak 528 spectrum 1 weight 0.10000E+01 volume 0.30359E-02 ppm1 7.712 ppm2 9.201 CV 1 ASSI { 906} (( segid " " and resid 963 and name H )) (( segid " " and resid 962 and name HB3 )) 3.700 1.700 1.700 peak 906 spectrum 1 weight 0.10000E+01 volume 0.81630E-03 ppm1 7.923 ppm2 2.081 CV 1 ASSI { 526} (( segid " " and resid 955 and name H )) (( segid " " and resid 955 and name HB3 )) 2.700 0.900 0.900 peak 526 spectrum 1 weight 0.10000E+01 volume 0.30951E-02 ppm1 8.172 ppm2 3.785 CV 1 OR { 526} (( segid " " and resid 955 and name H )) (( segid " " and resid 955 and name HB2 )) ASSI { 504} (( segid " " and resid 1030 and name H )) ( segid " " and resid 1029 and name HG2%) 3.600 1.600 1.600 peak 504 spectrum 1 weight 0.10000E+01 volume 0.12751E-02 ppm1 8.277 ppm2 1.236 CV 1 ASSI { 994} (( segid " " and resid 968 and name H )) (( segid " " and resid 965 and name HA )) 3.600 1.600 1.600 peak 994 spectrum 1 weight 0.10000E+01 volume 0.64859E-03 ppm1 8.192 ppm2 4.028 CV 1 ASSI { 829} (( segid " " and resid 938 and name H )) (( segid " " and resid 938 and name HA )) 2.800 1.000 1.000 peak 829 spectrum 1 weight 0.10000E+01 volume 0.26561E-02 ppm1 7.808 ppm2 4.043 CV 1 ASSI { 904} (( segid " " and resid 954 and name HE22)) (( segid " " and resid 954 and name HE21)) 1.600 0.300 0.600 peak 904 spectrum 1 weight 0.10000E+01 volume 0.34727E-01 ppm1 6.802 ppm2 7.450 CV 1 ASSI { 324} (( segid " " and resid 930 and name H )) (( segid " " and resid 929 and name HB )) 2.700 0.900 0.900 peak 324 spectrum 1 weight 0.10000E+01 volume 0.31691E-02 ppm1 7.887 ppm2 4.426 CV 1 ASSI { 1061} (( segid " " and resid 990 and name H )) (( segid " " and resid 990 and name HB2 )) 2.600 0.800 0.800 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.27498E-02 ppm1 8.115 ppm2 4.136 CV 1 ASSI { 104} (( segid " " and resid 1013 and name H )) (( segid " " and resid 1012 and name H )) 3.100 1.200 1.200 peak 104 spectrum 1 weight 0.10000E+01 volume 0.12405E-02 ppm1 7.553 ppm2 8.540 CV 1 ASSI { 480} (( segid " " and resid 1015 and name H )) (( segid " " and resid 1015 and name HA )) 2.600 0.900 0.900 peak 480 spectrum 1 weight 0.10000E+01 volume 0.39213E-02 ppm1 8.424 ppm2 4.115 CV 1 ASSI { 220} (( segid " " and resid 957 and name H )) (( segid " " and resid 956 and name H )) 2.800 1.000 1.000 peak 220 spectrum 1 weight 0.10000E+01 volume 0.20642E-02 ppm1 7.592 ppm2 8.025 CV 1 ASSI { 1052} (( segid " " and resid 976 and name H )) (( segid " " and resid 976 and name HB2 )) 2.700 0.900 0.900 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.22468E-02 ppm1 7.048 ppm2 1.958 CV 1 ASSI { 592} (( segid " " and resid 962 and name HE22)) (( segid " " and resid 962 and name HG2 )) 4.200 2.200 1.800 peak 592 spectrum 1 weight 0.10000E+01 volume 0.73003E-03 ppm1 6.611 ppm2 2.483 CV 1 ASSI { 38} (( segid " " and resid 978 and name H )) (( segid " " and resid 977 and name HD3 )) 4.000 2.000 2.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.86563E-03 ppm1 8.370 ppm2 3.534 CV 1 ASSI { 745} (( segid " " and resid 960 and name H )) (( segid " " and resid 960 and name HA )) 2.500 0.800 0.800 peak 745 spectrum 1 weight 0.10000E+01 volume 0.42222E-02 ppm1 8.671 ppm2 3.929 CV 1 ASSI { 699} (( segid " " and resid 991 and name H )) (( segid " " and resid 991 and name HA )) 2.500 0.800 0.800 peak 699 spectrum 1 weight 0.10000E+01 volume 0.31790E-02 ppm1 8.262 ppm2 3.993 CV 1 ASSI { 907} (( segid " " and resid 1035 and name H )) (( segid " " and resid 1034 and name HB3 )) 2.900 1.100 1.100 peak 907 spectrum 1 weight 0.10000E+01 volume 0.10851E-02 ppm1 8.520 ppm2 1.225 CV 1 ASSI { 170} (( segid " " and resid 925 and name H )) (( segid " " and resid 925 and name HA )) 2.600 0.900 0.900 peak 170 spectrum 1 weight 0.10000E+01 volume 0.33664E-02 ppm1 8.121 ppm2 3.718 CV 1 ASSI { 532} (( segid " " and resid 1000 and name H )) (( segid " " and resid 999 and name HA )) 3.500 1.600 1.600 peak 532 spectrum 1 weight 0.10000E+01 volume 0.70533E-03 ppm1 7.746 ppm2 4.042 CV 1 ASSI { 229} (( segid " " and resid 1016 and name H )) (( segid " " and resid 1016 and name HB2 )) 2.700 0.900 0.900 peak 229 spectrum 1 weight 0.10000E+01 volume 0.25303E-02 ppm1 7.967 ppm2 3.953 CV 1 ASSI { 407} (( segid " " and resid 1036 and name H )) (( segid " " and resid 1035 and name HG2 )) 3.400 1.500 1.500 peak 407 spectrum 1 weight 0.10000E+01 volume 0.88291E-03 ppm1 7.940 ppm2 1.464 CV 1 ASSI { 1141} (( segid " " and resid 991 and name H )) (( segid " " and resid 991 and name HB2 )) 2.500 0.800 0.800 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.33812E-02 ppm1 8.262 ppm2 2.144 CV 1 ASSI { 922} (( segid " " and resid 919 and name H )) (( segid " " and resid 918 and name HB2 )) 2.600 0.800 0.800 peak 922 spectrum 1 weight 0.10000E+01 volume 0.24218E-02 ppm1 8.053 ppm2 2.347 CV 1 ASSI { 1104} (( segid " " and resid 1020 and name H )) (( segid " " and resid 1020 and name HG )) 3.500 1.600 1.600 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.10703E-02 ppm1 7.955 ppm2 1.369 CV 1 ASSI { 1119} (( segid " " and resid 1011 and name H )) (( segid " " and resid 1010 and name H )) 2.500 0.800 0.800 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.37511E-02 ppm1 7.304 ppm2 7.721 CV 1 ASSI { 561} (( segid " " and resid 1037 and name H )) (( segid " " and resid 1036 and name H )) 2.700 0.900 0.900 peak 561 spectrum 1 weight 0.10000E+01 volume 0.26512E-02 ppm1 8.534 ppm2 7.941 CV 1 ASSI { 889} (( segid " " and resid 997 and name H )) (( segid " " and resid 998 and name H )) 2.800 1.000 1.000 peak 889 spectrum 1 weight 0.10000E+01 volume 0.20026E-02 ppm1 7.835 ppm2 8.272 CV 1 ASSI { 236} (( segid " " and resid 992 and name H )) (( segid " " and resid 991 and name HB3 )) 3.600 1.600 1.600 peak 236 spectrum 1 weight 0.10000E+01 volume 0.16376E-02 ppm1 8.327 ppm2 2.009 CV 1 ASSI { 984} (( segid " " and resid 962 and name H )) ( segid " " and resid 960 and name HB% ) 4.300 2.300 1.700 peak 984 spectrum 1 weight 0.10000E+01 volume 0.44886E-03 ppm1 7.469 ppm2 1.501 CV 1 ASSI { 1076} (( segid " " and resid 967 and name H )) ( segid " " and resid 966 and name HD2%) 4.900 3.000 1.100 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.27129E-03 ppm1 8.222 ppm2 0.498 CV 1 ASSI { 203} (( segid " " and resid 1030 and name H )) (( segid " " and resid 1031 and name H )) 2.700 0.900 0.900 peak 203 spectrum 1 weight 0.10000E+01 volume 0.24613E-02 ppm1 8.278 ppm2 9.200 CV 1 ASSI { 616} (( segid " " and resid 1034 and name H )) (( segid " " and resid 1034 and name HB3 )) 2.500 0.800 0.800 peak 616 spectrum 1 weight 0.10000E+01 volume 0.33960E-02 ppm1 8.177 ppm2 1.227 CV 1 ASSI { 402} (( segid " " and resid 997 and name H )) (( segid " " and resid 996 and name HD2 )) 2.700 0.900 0.900 peak 402 spectrum 1 weight 0.10000E+01 volume 0.14970E-02 ppm1 7.836 ppm2 4.058 CV 1 ASSI { 627} (( segid " " and resid 1034 and name H )) (( segid " " and resid 1031 and name HA )) 3.100 1.200 1.200 peak 627 spectrum 1 weight 0.10000E+01 volume 0.16672E-02 ppm1 8.177 ppm2 4.039 CV 1 ASSI { 290} (( segid " " and resid 1034 and name H )) (( segid " " and resid 1034 and name HA )) 2.800 1.000 1.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.23553E-02 ppm1 8.176 ppm2 3.961 CV 1 ASSI { 636} (( segid " " and resid 993 and name H )) (( segid " " and resid 992 and name H )) 2.600 0.800 0.800 peak 636 spectrum 1 weight 0.10000E+01 volume 0.28707E-02 ppm1 7.671 ppm2 8.323 CV 1 ASSI { 980} (( segid " " and resid 931 and name H )) (( segid " " and resid 930 and name HB2 )) 2.700 0.900 0.900 peak 980 spectrum 1 weight 0.10000E+01 volume 0.18892E-02 ppm1 8.044 ppm2 2.186 CV 1 ASSI { 565} (( segid " " and resid 927 and name H )) ( segid " " and resid 926 and name HB% ) 2.500 0.800 0.800 peak 565 spectrum 1 weight 0.10000E+01 volume 0.51742E-02 ppm1 8.504 ppm2 1.421 CV 1 ASSI { 1077} (( segid " " and resid 932 and name H )) (( segid " " and resid 932 and name HB )) 2.400 0.700 0.700 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.44811E-02 ppm1 8.380 ppm2 1.831 CV 1 ASSI { 380} (( segid " " and resid 962 and name H )) ( segid " " and resid 959 and name HG1%) 4.000 2.000 2.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.60913E-03 ppm1 7.469 ppm2 0.849 CV 1 ASSI { 877} (( segid " " and resid 968 and name H )) (( segid " " and resid 967 and name HB )) 2.600 0.900 0.900 peak 877 spectrum 1 weight 0.10000E+01 volume 0.30335E-02 ppm1 8.192 ppm2 1.944 CV 1 ASSI { 111} (( segid " " and resid 1034 and name H )) (( segid " " and resid 1033 and name HB3 )) 3.600 1.700 1.700 peak 111 spectrum 1 weight 0.10000E+01 volume 0.13786E-02 ppm1 8.178 ppm2 1.952 CV 1 ASSI { 391} (( segid " " and resid 963 and name H )) (( segid " " and resid 962 and name HA )) 3.600 1.600 1.600 peak 391 spectrum 1 weight 0.10000E+01 volume 0.64614E-03 ppm1 7.923 ppm2 4.368 CV 1 ASSI { 818} (( segid " " and resid 928 and name H )) (( segid " " and resid 928 and name HA )) 2.800 0.900 0.900 peak 818 spectrum 1 weight 0.10000E+01 volume 0.25797E-02 ppm1 8.950 ppm2 4.045 CV 1 ASSI { 378} (( segid " " and resid 966 and name H )) (( segid " " and resid 966 and name HB3 )) 3.100 1.200 1.200 peak 378 spectrum 1 weight 0.10000E+01 volume 0.38892E-02 ppm1 7.930 ppm2 1.586 CV 1 ASSI { 283} (( segid " " and resid 930 and name H )) (( segid " " and resid 928 and name H )) 4.200 2.200 1.800 peak 283 spectrum 1 weight 0.10000E+01 volume 0.31321E-03 ppm1 7.888 ppm2 8.948 CV 1 ASSI { 649} (( segid " " and resid 938 and name H )) (( segid " " and resid 934 and name HA )) 4.100 2.100 1.900 peak 649 spectrum 1 weight 0.10000E+01 volume 0.40200E-03 ppm1 7.807 ppm2 4.155 CV 1 ASSI { 1032} (( segid " " and resid 923 and name H )) (( segid " " and resid 922 and name HA )) 3.500 1.500 1.500 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.74976E-03 ppm1 8.119 ppm2 3.688 CV 1 ASSI { 834} (( segid " " and resid 1025 and name H )) ( segid " " and resid 1024 and name HB% ) 2.700 0.900 0.900 peak 834 spectrum 1 weight 0.10000E+01 volume 0.35933E-02 ppm1 7.950 ppm2 1.429 CV 1 ASSI { 934} (( segid " " and resid 960 and name H )) (( segid " " and resid 959 and name H )) 2.600 0.800 0.800 peak 934 spectrum 1 weight 0.10000E+01 volume 0.31863E-02 ppm1 8.670 ppm2 7.543 CV 1 ASSI { 1053} (( segid " " and resid 987 and name H )) ( segid " " and resid 988 and name HB% ) 4.300 2.300 1.700 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.67574E-03 ppm1 8.443 ppm2 1.448 CV 1 ASSI { 314} (( segid " " and resid 941 and name H )) (( segid " " and resid 939 and name HA )) 4.700 2.800 1.300 peak 314 spectrum 1 weight 0.10000E+01 volume 0.20963E-03 ppm1 7.740 ppm2 4.172 CV 1 ASSI { 131} (( segid " " and resid 978 and name H )) (( segid " " and resid 978 and name HB2 )) 3.100 1.200 1.200 peak 131 spectrum 1 weight 0.10000E+01 volume 0.18324E-02 ppm1 8.371 ppm2 2.693 CV 1 ASSI { 764} (( segid " " and resid 991 and name H )) (( segid " " and resid 990 and name HB3 )) 3.600 1.600 1.600 peak 764 spectrum 1 weight 0.10000E+01 volume 0.15389E-02 ppm1 8.261 ppm2 3.390 CV 1 ASSI { 770} (( segid " " and resid 966 and name H )) (( segid " " and resid 963 and name HA )) 3.100 1.200 1.200 peak 770 spectrum 1 weight 0.10000E+01 volume 0.11591E-02 ppm1 7.931 ppm2 3.691 CV 1 ASSI { 575} (( segid " " and resid 994 and name H )) (( segid " " and resid 994 and name HB2 )) 2.600 0.900 0.900 peak 575 spectrum 1 weight 0.10000E+01 volume 0.19409E-02 ppm1 7.247 ppm2 1.452 CV 1 ASSI { 257} (( segid " " and resid 991 and name H )) (( segid " " and resid 990 and name HG )) 4.500 2.500 1.500 peak 257 spectrum 1 weight 0.10000E+01 volume 0.56723E-03 ppm1 8.264 ppm2 3.586 CV 1 ASSI { 98} (( segid " " and resid 914 and name H )) (( segid " " and resid 913 and name H )) 2.800 1.000 1.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.15981E-02 ppm1 8.009 ppm2 8.222 CV 1 ASSI { 701} (( segid " " and resid 1023 and name H )) (( segid " " and resid 1020 and name HA )) 3.100 1.200 1.200 peak 701 spectrum 1 weight 0.10000E+01 volume 0.12528E-02 ppm1 8.370 ppm2 3.924 CV 1 ASSI { 396} (( segid " " and resid 987 and name H )) (( segid " " and resid 987 and name HB )) 2.500 0.800 0.800 peak 396 spectrum 1 weight 0.10000E+01 volume 0.36155E-02 ppm1 8.442 ppm2 1.871 CV 1 ASSI { 329} (( segid " " and resid 987 and name H )) (( segid " " and resid 987 and name HG13)) 2.200 0.600 0.600 peak 329 spectrum 1 weight 0.10000E+01 volume 0.44861E-02 ppm1 8.442 ppm2 0.709 CV 1 OR { 329} (( segid " " and resid 987 and name H )) ( segid " " and resid 987 and name HD1%) ASSI { 858} (( segid " " and resid 939 and name H )) (( segid " " and resid 938 and name HA )) 3.300 1.400 1.400 peak 858 spectrum 1 weight 0.10000E+01 volume 0.11147E-02 ppm1 7.812 ppm2 4.042 CV 1 ASSI { 619} (( segid " " and resid 994 and name H )) (( segid " " and resid 994 and name HG )) 2.200 0.600 0.600 peak 619 spectrum 1 weight 0.10000E+01 volume 0.55022E-02 ppm1 7.246 ppm2 2.312 CV 1 ASSI { 143} (( segid " " and resid 983 and name H )) (( segid " " and resid 983 and name HB2 )) 2.500 0.800 0.800 peak 143 spectrum 1 weight 0.10000E+01 volume 0.32875E-02 ppm1 7.788 ppm2 2.199 CV 1 ASSI { 814} (( segid " " and resid 1008 and name H )) (( segid " " and resid 1007 and name H )) 2.500 0.800 0.800 peak 814 spectrum 1 weight 0.10000E+01 volume 0.26610E-02 ppm1 7.529 ppm2 7.632 CV 1 ASSI { 416} (( segid " " and resid 909 and name H )) (( segid " " and resid 909 and name HB2 )) 2.900 1.100 1.100 peak 416 spectrum 1 weight 0.10000E+01 volume 0.21210E-02 ppm1 8.351 ppm2 2.677 CV 1 ASSI { 76} (( segid " " and resid 955 and name H )) (( segid " " and resid 955 and name HA )) 2.800 1.000 1.000 peak 76 spectrum 1 weight 0.10000E+01 volume 0.28559E-02 ppm1 8.172 ppm2 4.197 CV 1 ASSI { 893} (( segid " " and resid 969 and name H )) (( segid " " and resid 968 and name HB2 )) 3.700 1.700 1.700 peak 893 spectrum 1 weight 0.10000E+01 volume 0.12430E-02 ppm1 7.982 ppm2 2.147 CV 1 ASSI { 606} (( segid " " and resid 979 and name H )) (( segid " " and resid 979 and name HB3 )) 2.700 0.900 0.900 peak 606 spectrum 1 weight 0.10000E+01 volume 0.29077E-02 ppm1 7.428 ppm2 3.851 CV 1 ASSI { 207} (( segid " " and resid 1021 and name H )) (( segid " " and resid 1020 and name H )) 2.600 0.800 0.800 peak 207 spectrum 1 weight 0.10000E+01 volume 0.28460E-02 ppm1 8.396 ppm2 7.951 CV 1 ASSI { 781} (( segid " " and resid 1032 and name H )) (( segid " " and resid 1034 and name H )) 3.800 1.800 1.800 peak 781 spectrum 1 weight 0.10000E+01 volume 0.46859E-03 ppm1 7.711 ppm2 8.173 CV 1 ASSI { 355} (( segid " " and resid 993 and name H )) (( segid " " and resid 993 and name HB2 )) 2.500 0.800 0.800 peak 355 spectrum 1 weight 0.10000E+01 volume 0.46291E-02 ppm1 7.671 ppm2 3.383 CV 1 ASSI { 594} (( segid " " and resid 1000 and name H )) (( segid " " and resid 1001 and name H )) 2.700 0.900 0.900 peak 594 spectrum 1 weight 0.10000E+01 volume 0.22344E-02 ppm1 7.748 ppm2 7.923 CV 1 ASSI { 1065} (( segid " " and resid 973 and name H )) ( segid " " and resid 986 and name HD1%) 4.200 2.200 1.800 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.51051E-03 ppm1 7.291 ppm2 0.859 CV 1 ASSI { 624} (( segid " " and resid 947 and name H )) ( segid " " and resid 946 and name HB% ) 3.300 1.400 1.400 peak 624 spectrum 1 weight 0.10000E+01 volume 0.13836E-02 ppm1 8.092 ppm2 1.372 CV 1 ASSI { 851} (( segid " " and resid 1041 and name H )) (( segid " " and resid 1040 and name H )) 2.600 0.800 0.800 peak 851 spectrum 1 weight 0.10000E+01 volume 0.28633E-02 ppm1 7.618 ppm2 8.319 CV 1 ASSI { 246} (( segid " " and resid 993 and name H )) (( segid " " and resid 994 and name HG )) 4.200 2.200 1.800 peak 246 spectrum 1 weight 0.10000E+01 volume 0.52037E-03 ppm1 7.670 ppm2 2.308 CV 1 ASSI { 310} (( segid " " and resid 975 and name H )) (( segid " " and resid 974 and name HB2 )) 3.100 1.200 1.200 peak 310 spectrum 1 weight 0.10000E+01 volume 0.12528E-02 ppm1 7.730 ppm2 1.832 CV 1 ASSI { 768} (( segid " " and resid 1005 and name H )) (( segid " " and resid 1004 and name H )) 2.600 0.900 0.900 peak 768 spectrum 1 weight 0.10000E+01 volume 0.26413E-02 ppm1 8.231 ppm2 8.806 CV 1 ASSI { 916} (( segid " " and resid 984 and name H )) ( segid " " and resid 985 and name HB% ) 3.800 1.800 1.800 peak 916 spectrum 1 weight 0.10000E+01 volume 0.98652E-03 ppm1 8.315 ppm2 1.467 CV 1 ASSI { 113} (( segid " " and resid 957 and name H )) (( segid " " and resid 957 and name HB2 )) 2.400 0.700 0.700 peak 113 spectrum 1 weight 0.10000E+01 volume 0.65900E-02 ppm1 7.591 ppm2 1.851 CV 1 OR { 113} (( segid " " and resid 957 and name H )) (( segid " " and resid 957 and name HB3 )) ASSI { 551} (( segid " " and resid 970 and name H )) (( segid " " and resid 969 and name H )) 2.700 0.900 0.900 peak 551 spectrum 1 weight 0.10000E+01 volume 0.23158E-02 ppm1 8.048 ppm2 7.983 CV 1 ASSI { 74} (( segid " " and resid 1024 and name H )) (( segid " " and resid 1023 and name HB3 )) 3.500 1.500 1.500 peak 74 spectrum 1 weight 0.10000E+01 volume 0.14600E-02 ppm1 8.662 ppm2 2.796 CV 1 ASSI { 642} (( segid " " and resid 957 and name H )) (( segid " " and resid 957 and name HA )) 2.700 0.900 0.900 peak 642 spectrum 1 weight 0.10000E+01 volume 0.34823E-02 ppm1 7.591 ppm2 3.938 CV 1 ASSI { 120} (( segid " " and resid 955 and name H )) (( segid " " and resid 952 and name HA )) 3.600 1.600 1.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.49571E-03 ppm1 8.173 ppm2 3.903 CV 1 ASSI { 662} (( segid " " and resid 1015 and name H )) ( segid " " and resid 1015 and name HB% ) 2.300 0.700 0.700 peak 662 spectrum 1 weight 0.10000E+01 volume 0.89128E-02 ppm1 8.425 ppm2 1.442 CV 1 ASSI { 467} (( segid " " and resid 1026 and name H )) (( segid " " and resid 1025 and name HB2 )) 2.900 1.100 1.100 peak 467 spectrum 1 weight 0.10000E+01 volume 0.45724E-02 ppm1 8.128 ppm2 1.912 CV 1 ASSI { 538} (( segid " " and resid 924 and name H )) ( segid " " and resid 924 and name HB% ) 2.300 0.600 0.600 peak 538 spectrum 1 weight 0.10000E+01 volume 0.72680E-02 ppm1 8.223 ppm2 1.273 CV 1 ASSI { 40} (( segid " " and resid 1023 and name H )) (( segid " " and resid 1022 and name HG3 )) 4.200 2.200 1.800 peak 40 spectrum 1 weight 0.10000E+01 volume 0.50311E-03 ppm1 8.366 ppm2 2.402 CV 1 OR { 40} (( segid " " and resid 1023 and name H )) (( segid " " and resid 1022 and name HG2 )) ASSI { 886} (( segid " " and resid 995 and name H )) ( segid " " and resid 994 and name HD1%) 4.000 2.000 2.000 peak 886 spectrum 1 weight 0.10000E+01 volume 0.12159E-02 ppm1 8.343 ppm2 0.929 CV 1 ASSI { 809} (( segid " " and resid 925 and name H )) ( segid " " and resid 926 and name HB% ) 4.500 2.500 1.500 peak 809 spectrum 1 weight 0.10000E+01 volume 0.64124E-03 ppm1 8.123 ppm2 1.418 CV 1 ASSI { 509} (( segid " " and resid 968 and name H )) (( segid " " and resid 968 and name HB3 )) 2.700 0.900 0.900 peak 509 spectrum 1 weight 0.10000E+01 volume 0.37043E-02 ppm1 8.191 ppm2 2.016 CV 1 ASSI { 278} (( segid " " and resid 989 and name H )) (( segid " " and resid 986 and name HA )) 3.400 1.400 1.400 peak 278 spectrum 1 weight 0.10000E+01 volume 0.78922E-03 ppm1 8.250 ppm2 4.042 CV 1 ASSI { 1064} (( segid " " and resid 1025 and name H )) (( segid " " and resid 1027 and name H )) 4.200 2.200 1.800 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.36254E-03 ppm1 7.952 ppm2 8.793 CV 1 ASSI { 754} (( segid " " and resid 967 and name H )) (( segid " " and resid 966 and name HA )) 3.700 1.700 1.700 peak 754 spectrum 1 weight 0.10000E+01 volume 0.54257E-03 ppm1 8.220 ppm2 3.886 CV 1 ASSI { 512} (( segid " " and resid 997 and name H )) (( segid " " and resid 996 and name HB2 )) 3.500 1.500 1.500 peak 512 spectrum 1 weight 0.10000E+01 volume 0.59683E-03 ppm1 7.835 ppm2 2.007 CV 1 ASSI { 758} (( segid " " and resid 991 and name H )) (( segid " " and resid 991 and name HG2 )) 3.600 1.700 1.700 peak 758 spectrum 1 weight 0.10000E+01 volume 0.17140E-02 ppm1 8.262 ppm2 2.272 CV 1 ASSI { 895} (( segid " " and resid 1021 and name H )) ( segid " " and resid 1017 and name HB% ) 3.400 1.500 1.500 peak 895 spectrum 1 weight 0.10000E+01 volume 0.38227E-03 ppm1 8.395 ppm2 1.507 CV 1 ASSI { 771} (( segid " " and resid 929 and name H )) (( segid " " and resid 926 and name HA )) 3.300 1.300 1.300 peak 771 spectrum 1 weight 0.10000E+01 volume 0.10309E-02 ppm1 8.339 ppm2 4.092 CV 1 ASSI { 42} (( segid " " and resid 913 and name H )) (( segid " " and resid 913 and name HB2 )) 2.800 1.000 1.000 peak 42 spectrum 1 weight 0.10000E+01 volume 0.14575E-02 ppm1 8.217 ppm2 1.898 CV 1 ASSI { 99} (( segid " " and resid 1005 and name H )) (( segid " " and resid 1005 and name HG3 )) 2.400 0.700 0.700 peak 99 spectrum 1 weight 0.10000E+01 volume 0.31642E-02 ppm1 8.231 ppm2 1.622 CV 1 ASSI { 194} (( segid " " and resid 1028 and name H )) (( segid " " and resid 1027 and name HA )) 3.700 1.700 1.700 peak 194 spectrum 1 weight 0.10000E+01 volume 0.50558E-03 ppm1 8.584 ppm2 4.327 CV 1 ASSI { 578} (( segid " " and resid 984 and name H )) (( segid " " and resid 985 and name H )) 2.600 0.800 0.800 peak 578 spectrum 1 weight 0.10000E+01 volume 0.31198E-02 ppm1 8.314 ppm2 7.880 CV 1 ASSI { 171} (( segid " " and resid 936 and name H )) ( segid " " and resid 932 and name HG2%) 3.700 1.700 1.700 peak 171 spectrum 1 weight 0.10000E+01 volume 0.67574E-03 ppm1 8.455 ppm2 0.841 CV 1 ASSI { 730} (( segid " " and resid 994 and name H )) (( segid " " and resid 993 and name HB3 )) 3.300 1.300 1.300 peak 730 spectrum 1 weight 0.10000E+01 volume 0.99142E-03 ppm1 7.247 ppm2 2.962 CV 1 ASSI { 125} (( segid " " and resid 1037 and name H )) (( segid " " and resid 1038 and name H )) 2.700 0.900 0.900 peak 125 spectrum 1 weight 0.10000E+01 volume 0.27202E-02 ppm1 8.536 ppm2 8.724 CV 1 ASSI { 493} (( segid " " and resid 917 and name H )) (( segid " " and resid 917 and name HA )) 2.900 1.100 1.100 peak 493 spectrum 1 weight 0.10000E+01 volume 0.19533E-02 ppm1 7.591 ppm2 4.050 CV 1 ASSI { 746} (( segid " " and resid 987 and name H )) (( segid " " and resid 988 and name H )) 2.700 0.900 0.900 peak 746 spectrum 1 weight 0.10000E+01 volume 0.21284E-02 ppm1 8.442 ppm2 8.511 CV 1 ASSI { 788} (( segid " " and resid 997 and name H )) (( segid " " and resid 997 and name HA3 )) 2.400 0.700 0.700 peak 788 spectrum 1 weight 0.10000E+01 volume 0.37462E-02 ppm1 7.835 ppm2 3.203 CV 1 ASSI { 436} (( segid " " and resid 918 and name H )) (( segid " " and resid 918 and name HG2 )) 3.700 1.700 1.700 peak 436 spectrum 1 weight 0.10000E+01 volume 0.14871E-02 ppm1 8.747 ppm2 1.933 CV 1 ASSI { 866} (( segid " " and resid 929 and name H )) (( segid " " and resid 930 and name H )) 2.600 0.900 0.900 peak 866 spectrum 1 weight 0.10000E+01 volume 0.29028E-02 ppm1 8.340 ppm2 7.885 CV 1 ASSI { 783} (( segid " " and resid 1029 and name H )) (( segid " " and resid 1031 and name H )) 4.200 2.200 1.800 peak 783 spectrum 1 weight 0.10000E+01 volume 0.41679E-03 ppm1 8.072 ppm2 9.202 CV 1 ASSI { 880} (( segid " " and resid 1022 and name H )) (( segid " " and resid 1021 and name HB2 )) 3.400 1.400 1.400 peak 880 spectrum 1 weight 0.10000E+01 volume 0.26487E-02 ppm1 8.395 ppm2 4.079 CV 1 ASSI { 167} (( segid " " and resid 926 and name H )) (( segid " " and resid 928 and name H )) 3.900 1.900 1.900 peak 167 spectrum 1 weight 0.10000E+01 volume 0.50311E-03 ppm1 7.902 ppm2 8.945 CV 1 ASSI { 359} (( segid " " and resid 985 and name H )) (( segid " " and resid 986 and name H )) 2.600 0.900 0.900 peak 359 spectrum 1 weight 0.10000E+01 volume 0.26734E-02 ppm1 7.882 ppm2 7.559 CV 1 ASSI { 625} (( segid " " and resid 915 and name H )) (( segid " " and resid 915 and name HG2 )) 3.200 1.300 1.300 peak 625 spectrum 1 weight 0.10000E+01 volume 0.28115E-02 ppm1 7.781 ppm2 2.237 CV 1 OR { 625} (( segid " " and resid 915 and name H )) (( segid " " and resid 915 and name HG3 )) ASSI { 531} (( segid " " and resid 973 and name H )) (( segid " " and resid 975 and name H )) 4.300 2.300 1.700 peak 531 spectrum 1 weight 0.10000E+01 volume 0.38473E-03 ppm1 7.290 ppm2 7.727 CV 1 ASSI { 1016} (( segid " " and resid 972 and name H )) (( segid " " and resid 971 and name HA )) 3.100 1.200 1.200 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.16573E-02 ppm1 8.628 ppm2 3.950 CV 1 ASSI { 245} (( segid " " and resid 989 and name H )) ( segid " " and resid 988 and name HB% ) 2.500 0.800 0.800 peak 245 spectrum 1 weight 0.10000E+01 volume 0.62199E-02 ppm1 8.250 ppm2 1.433 CV 1 ASSI { 739} (( segid " " and resid 1042 and name H )) ( segid " " and resid 1041 and name HB% ) 2.800 1.000 1.000 peak 739 spectrum 1 weight 0.10000E+01 volume 0.31297E-02 ppm1 7.740 ppm2 1.307 CV 1 ASSI { 25} (( segid " " and resid 970 and name H )) ( segid " " and resid 986 and name HD2%) 3.300 1.400 1.400 peak 25 spectrum 1 weight 0.10000E+01 volume 0.14205E-02 ppm1 8.052 ppm2 0.676 CV 1 ASSI { 1030} (( segid " " and resid 967 and name H )) (( segid " " and resid 966 and name HB3 )) 2.800 1.000 1.000 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.19878E-02 ppm1 8.221 ppm2 1.592 CV 1 ASSI { 301} (( segid " " and resid 953 and name H )) (( segid " " and resid 953 and name HB )) 2.500 0.800 0.800 peak 301 spectrum 1 weight 0.10000E+01 volume 0.40495E-02 ppm1 7.928 ppm2 2.050 CV 1 ASSI { 921} (( segid " " and resid 1015 and name H )) (( segid " " and resid 1014 and name H )) 3.100 1.200 1.200 peak 921 spectrum 1 weight 0.10000E+01 volume 0.10383E-02 ppm1 8.424 ppm2 8.902 CV 1 ASSI { 943} (( segid " " and resid 923 and name H )) (( segid " " and resid 922 and name HB2 )) 2.600 0.800 0.800 peak 943 spectrum 1 weight 0.10000E+01 volume 0.30556E-02 ppm1 8.120 ppm2 1.819 CV 1 OR { 943} (( segid " " and resid 923 and name H )) (( segid " " and resid 922 and name HB3 )) ASSI { 214} (( segid " " and resid 1034 and name H )) (( segid " " and resid 1033 and name HB2 )) 3.500 1.500 1.500 peak 214 spectrum 1 weight 0.10000E+01 volume 0.11863E-02 ppm1 8.175 ppm2 2.082 CV 1 ASSI { 873} (( segid " " and resid 1023 and name H )) ( segid " " and resid 1024 and name HB% ) 4.400 2.400 1.600 peak 873 spectrum 1 weight 0.10000E+01 volume 0.40446E-03 ppm1 8.366 ppm2 1.438 CV 1 ASSI { 500} (( segid " " and resid 973 and name H )) (( segid " " and resid 973 and name HB3 )) 2.700 0.900 0.900 peak 500 spectrum 1 weight 0.10000E+01 volume 0.30359E-02 ppm1 7.290 ppm2 3.943 CV 1 ASSI { 90} (( segid " " and resid 931 and name H )) (( segid " " and resid 932 and name H )) 2.700 0.900 0.900 peak 90 spectrum 1 weight 0.10000E+01 volume 0.19754E-02 ppm1 8.043 ppm2 8.377 CV 1 ASSI { 663} (( segid " " and resid 956 and name H )) (( segid " " and resid 956 and name HB2 )) 3.000 1.100 1.100 peak 663 spectrum 1 weight 0.10000E+01 volume 0.21530E-02 ppm1 8.027 ppm2 3.234 CV 1 ASSI { 347} (( segid " " and resid 981 and name H )) (( segid " " and resid 980 and name HD2 )) 3.200 1.300 1.300 peak 347 spectrum 1 weight 0.10000E+01 volume 0.80895E-03 ppm1 7.899 ppm2 4.245 CV 1 OR { 347} (( segid " " and resid 981 and name H )) (( segid " " and resid 980 and name HA )) ASSI { 617} (( segid " " and resid 1000 and name H )) (( segid " " and resid 955 and name HB2 )) 4.000 2.000 2.000 peak 617 spectrum 1 weight 0.10000E+01 volume 0.45625E-03 ppm1 7.746 ppm2 3.791 CV 1 OR { 617} (( segid " " and resid 1000 and name H )) (( segid " " and resid 955 and name HB3 )) ASSI { 755} (( segid " " and resid 988 and name H )) (( segid " " and resid 987 and name HG12)) 4.900 3.000 1.100 peak 755 spectrum 1 weight 0.10000E+01 volume 0.48585E-03 ppm1 8.512 ppm2 1.733 CV 1 ASSI { 1137} (( segid " " and resid 986 and name H )) ( segid " " and resid 986 and name HD2%) 3.900 1.900 1.900 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.12800E-02 ppm1 7.563 ppm2 0.680 CV 1 ASSI { 337} (( segid " " and resid 994 and name H )) (( segid " " and resid 993 and name H )) 2.600 0.800 0.800 peak 337 spectrum 1 weight 0.10000E+01 volume 0.21160E-02 ppm1 7.246 ppm2 7.671 CV 1 ASSI { 1010} (( segid " " and resid 958 and name H )) (( segid " " and resid 960 and name H )) 4.100 2.100 1.900 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.35760E-03 ppm1 7.567 ppm2 8.670 CV 1 ASSI { 813} (( segid " " and resid 941 and name H )) (( segid " " and resid 940 and name HB2 )) 3.800 1.800 1.800 peak 813 spectrum 1 weight 0.10000E+01 volume 0.51544E-03 ppm1 7.741 ppm2 3.850 CV 1 ASSI { 1143} (( segid " " and resid 1024 and name H )) ( segid " " and resid 1024 and name HB% ) 2.300 0.700 0.700 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.68979E-02 ppm1 8.662 ppm2 1.429 CV 1 ASSI { 784} (( segid " " and resid 1018 and name H )) (( segid " " and resid 1017 and name HA )) 3.700 1.700 1.700 peak 784 spectrum 1 weight 0.10000E+01 volume 0.66587E-03 ppm1 8.360 ppm2 3.848 CV 1 ASSI { 704} (( segid " " and resid 917 and name H )) (( segid " " and resid 918 and name H )) 2.800 0.900 0.900 peak 704 spectrum 1 weight 0.10000E+01 volume 0.19533E-02 ppm1 7.590 ppm2 8.745 CV 1 ASSI { 817} (( segid " " and resid 954 and name H )) (( segid " " and resid 953 and name H )) 2.800 1.000 1.000 peak 817 spectrum 1 weight 0.10000E+01 volume 0.18793E-02 ppm1 8.193 ppm2 7.926 CV 1 ASSI { 272} (( segid " " and resid 916 and name H )) (( segid " " and resid 915 and name HB2 )) 3.500 1.500 1.500 peak 272 spectrum 1 weight 0.10000E+01 volume 0.11271E-02 ppm1 8.255 ppm2 2.105 CV 1 ASSI { 151} (( segid " " and resid 971 and name H )) (( segid " " and resid 971 and name HG2 )) 3.200 1.300 1.300 peak 151 spectrum 1 weight 0.10000E+01 volume 0.22319E-02 ppm1 8.294 ppm2 1.711 CV 1 ASSI { 678} (( segid " " and resid 1022 and name H )) (( segid " " and resid 1022 and name HG2 )) 3.800 1.800 1.800 peak 678 spectrum 1 weight 0.10000E+01 volume 0.17954E-02 ppm1 8.394 ppm2 2.401 CV 1 OR { 678} (( segid " " and resid 1022 and name H )) (( segid " " and resid 1022 and name HG3 )) ASSI { 1094} (( segid " " and resid 992 and name H )) (( segid " " and resid 991 and name HB2 )) 2.600 0.900 0.900 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.23479E-02 ppm1 8.327 ppm2 2.144 CV 1 ASSI { 710} (( segid " " and resid 912 and name H )) (( segid " " and resid 915 and name H )) 3.900 1.900 1.900 peak 710 spectrum 1 weight 0.10000E+01 volume 0.44145E-03 ppm1 8.249 ppm2 7.777 CV 1 ASSI { 802} (( segid " " and resid 931 and name H )) (( segid " " and resid 931 and name HB )) 2.500 0.800 0.800 peak 802 spectrum 1 weight 0.10000E+01 volume 0.35144E-02 ppm1 8.044 ppm2 4.233 CV 1 ASSI { 230} (( segid " " and resid 912 and name H )) (( segid " " and resid 912 and name HB )) 3.600 1.600 1.600 peak 230 spectrum 1 weight 0.10000E+01 volume 0.11074E-02 ppm1 8.251 ppm2 4.509 CV 1 ASSI { 507} (( segid " " and resid 984 and name H )) ( segid " " and resid 984 and name HD2%) 3.100 1.200 1.200 peak 507 spectrum 1 weight 0.10000E+01 volume 0.16844E-02 ppm1 8.315 ppm2 0.844 CV 1 OR { 507} (( segid " " and resid 984 and name H )) ( segid " " and resid 984 and name HD1%) ASSI { 265} (( segid " " and resid 1031 and name H )) ( segid " " and resid 1031 and name HD2%) 3.300 1.400 1.400 peak 265 spectrum 1 weight 0.10000E+01 volume 0.24564E-02 ppm1 9.204 ppm2 0.938 CV 1 ASSI { 447} (( segid " " and resid 1036 and name H )) (( segid " " and resid 1036 and name HB )) 2.400 0.700 0.700 peak 447 spectrum 1 weight 0.10000E+01 volume 0.49349E-02 ppm1 7.942 ppm2 4.095 CV 1 ASSI { 753} (( segid " " and resid 1000 and name H )) (( segid " " and resid 999 and name HB3 )) 2.800 1.000 1.000 peak 753 spectrum 1 weight 0.10000E+01 volume 0.24342E-02 ppm1 7.748 ppm2 1.804 CV 1 OR { 753} (( segid " " and resid 1000 and name H )) (( segid " " and resid 999 and name HB2 )) ASSI { 1144} (( segid " " and resid 995 and name H )) (( segid " " and resid 994 and name H )) 2.800 1.000 1.000 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.16548E-02 ppm1 8.343 ppm2 7.243 CV 1 ASSI { 292} (( segid " " and resid 1035 and name H )) (( segid " " and resid 1035 and name HB2 )) 2.600 0.800 0.800 peak 292 spectrum 1 weight 0.10000E+01 volume 0.32480E-02 ppm1 8.519 ppm2 1.971 CV 1 ASSI { 426} (( segid " " and resid 929 and name H )) (( segid " " and resid 928 and name H )) 2.700 0.900 0.900 peak 426 spectrum 1 weight 0.10000E+01 volume 0.26018E-02 ppm1 8.339 ppm2 8.946 CV 1 ASSI { 1074} (( segid " " and resid 1011 and name H )) (( segid " " and resid 1011 and name HA )) 3.100 1.200 1.200 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.14082E-02 ppm1 7.304 ppm2 3.963 CV 1 ASSI { 256} (( segid " " and resid 934 and name H )) ( segid " " and resid 933 and name HB% ) 2.700 0.900 0.900 peak 256 spectrum 1 weight 0.10000E+01 volume 0.40964E-02 ppm1 7.982 ppm2 1.436 CV 1 ASSI { 690} (( segid " " and resid 1025 and name H )) (( segid " " and resid 1026 and name H )) 2.600 0.800 0.800 peak 690 spectrum 1 weight 0.10000E+01 volume 0.34922E-02 ppm1 7.950 ppm2 8.124 CV 1 ASSI { 688} (( segid " " and resid 941 and name H )) (( segid " " and resid 940 and name H )) 3.200 1.200 1.200 peak 688 spectrum 1 weight 0.10000E+01 volume 0.15389E-02 ppm1 7.741 ppm2 7.619 CV 1 ASSI { 345} (( segid " " and resid 986 and name H )) (( segid " " and resid 986 and name HA )) 2.800 1.000 1.000 peak 345 spectrum 1 weight 0.10000E+01 volume 0.23922E-02 ppm1 7.563 ppm2 4.040 CV 1 ASSI { 987} (( segid " " and resid 911 and name H )) ( segid " " and resid 911 and name HD% ) 3.600 1.600 1.600 peak 987 spectrum 1 weight 0.10000E+01 volume 0.71030E-03 ppm1 8.107 ppm2 7.166 CV 1 ASSI { 996} (( segid " " and resid 1034 and name H )) (( segid " " and resid 1035 and name H )) 2.700 0.900 0.900 peak 996 spectrum 1 weight 0.10000E+01 volume 0.21629E-02 ppm1 8.177 ppm2 8.518 CV 1 ASSI { 351} (( segid " " and resid 972 and name H )) (( segid " " and resid 972 and name HA3 )) 2.300 0.600 0.600 peak 351 spectrum 1 weight 0.10000E+01 volume 0.88488E-02 ppm1 8.629 ppm2 3.803 CV 1 OR { 351} (( segid " " and resid 972 and name H )) (( segid " " and resid 972 and name HA2 )) ASSI { 665} (( segid " " and resid 949 and name HE22)) (( segid " " and resid 949 and name HE21)) 1.800 0.400 0.400 peak 665 spectrum 1 weight 0.10000E+01 volume 0.15271E-01 ppm1 6.742 ppm2 7.369 CV 1 ASSI { 7} (( segid " " and resid 919 and name H )) (( segid " " and resid 921 and name H )) 4.200 2.200 1.800 peak 7 spectrum 1 weight 0.10000E+01 volume 0.31074E-03 ppm1 8.052 ppm2 9.026 CV 1 ASSI { 270} (( segid " " and resid 984 and name H )) (( segid " " and resid 981 and name HA )) 3.200 1.300 1.300 peak 270 spectrum 1 weight 0.10000E+01 volume 0.12232E-02 ppm1 8.314 ppm2 4.115 CV 1 ASSI { 1126} (( segid " " and resid 925 and name H )) ( segid " " and resid 967 and name HG2%) 4.300 2.300 1.700 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.66342E-03 ppm1 8.120 ppm2 0.849 CV 1 ASSI { 892} (( segid " " and resid 952 and name H )) (( segid " " and resid 951 and name HB3 )) 3.500 1.500 1.500 peak 892 spectrum 1 weight 0.10000E+01 volume 0.81881E-03 ppm1 8.001 ppm2 1.533 CV 1 ASSI { 66} (( segid " " and resid 939 and name H )) ( segid " " and resid 939 and name HB% ) 2.400 0.700 0.700 peak 66 spectrum 1 weight 0.10000E+01 volume 0.75514E-02 ppm1 7.811 ppm2 1.326 CV 1 ASSI { 1} (( segid " " and resid 966 and name H )) (( segid " " and resid 966 and name HA )) 2.700 0.900 0.900 peak 1 spectrum 1 weight 0.10000E+01 volume 0.25994E-02 ppm1 7.930 ppm2 3.888 CV 1 ASSI { 307} (( segid " " and resid 972 and name H )) ( segid " " and resid 975 and name HB% ) 4.100 2.100 1.900 peak 307 spectrum 1 weight 0.10000E+01 volume 0.78922E-03 ppm1 8.627 ppm2 1.461 CV 1 ASSI { 1135} (( segid " " and resid 1000 and name H )) (( segid " " and resid 1000 and name HB3 )) 2.600 0.800 0.800 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.36796E-02 ppm1 7.749 ppm2 2.317 CV 1 ASSI { 1031} (( segid " " and resid 1011 and name H )) (( segid " " and resid 1011 and name HG13)) 2.600 0.800 0.800 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.27794E-02 ppm1 7.303 ppm2 1.494 CV 1 ASSI { 568} (( segid " " and resid 1016 and name H )) ( segid " " and resid 1017 and name HB% ) 4.400 2.500 1.600 peak 568 spectrum 1 weight 0.10000E+01 volume 0.61409E-03 ppm1 7.967 ppm2 1.497 CV 1 ASSI { 68} (( segid " " and resid 937 and name H )) (( segid " " and resid 934 and name HA )) 3.300 1.400 1.400 peak 68 spectrum 1 weight 0.10000E+01 volume 0.98897E-03 ppm1 7.931 ppm2 4.144 CV 1 ASSI { 515} (( segid " " and resid 1042 and name H )) (( segid " " and resid 1041 and name H )) 2.600 0.800 0.800 peak 515 spectrum 1 weight 0.10000E+01 volume 0.29570E-02 ppm1 7.740 ppm2 7.615 CV 1 ASSI { 209} (( segid " " and resid 1002 and name H )) (( segid " " and resid 1001 and name H )) 2.600 0.800 0.800 peak 209 spectrum 1 weight 0.10000E+01 volume 0.29965E-02 ppm1 7.630 ppm2 7.924 CV 1 ASSI { 399} (( segid " " and resid 988 and name H )) ( segid " " and resid 988 and name HB% ) 2.300 0.700 0.700 peak 399 spectrum 1 weight 0.10000E+01 volume 0.88906E-02 ppm1 8.513 ppm2 1.441 CV 1 ASSI { 134} (( segid " " and resid 916 and name H )) (( segid " " and resid 916 and name HG3 )) 3.600 1.600 1.600 peak 134 spectrum 1 weight 0.10000E+01 volume 0.76452E-03 ppm1 8.256 ppm2 1.551 CV 1 ASSI { 275} (( segid " " and resid 923 and name H )) (( segid " " and resid 923 and name HB2 )) 2.400 0.700 0.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.67849E-02 ppm1 8.120 ppm2 1.973 CV 1 OR { 275} (( segid " " and resid 923 and name H )) (( segid " " and resid 923 and name HB3 )) ASSI { 518} (( segid " " and resid 1015 and name H )) (( segid " " and resid 1016 and name H )) 2.600 0.900 0.900 peak 518 spectrum 1 weight 0.10000E+01 volume 0.28066E-02 ppm1 8.425 ppm2 7.963 CV 1 ASSI { 654} (( segid " " and resid 962 and name H )) (( segid " " and resid 961 and name HA )) 3.200 1.300 1.300 peak 654 spectrum 1 weight 0.10000E+01 volume 0.99388E-03 ppm1 7.466 ppm2 4.065 CV 1 ASSI { 953} (( segid " " and resid 956 and name H )) (( segid " " and resid 956 and name HA )) 2.800 1.000 1.000 peak 953 spectrum 1 weight 0.10000E+01 volume 0.23158E-02 ppm1 8.027 ppm2 4.230 CV 1 ASSI { 841} (( segid " " and resid 927 and name H )) ( segid " " and resid 1027 and name HD1%) 4.000 2.000 2.000 peak 841 spectrum 1 weight 0.10000E+01 volume 0.71520E-03 ppm1 8.506 ppm2 0.932 CV 1 ASSI { 1095} (( segid " " and resid 975 and name H )) (( segid " " and resid 974 and name HB3 )) 3.500 1.500 1.500 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.18423E-02 ppm1 7.729 ppm2 2.027 CV 1 ASSI { 909} (( segid " " and resid 1004 and name H )) (( segid " " and resid 1002 and name H )) 4.300 2.300 1.700 peak 909 spectrum 1 weight 0.10000E+01 volume 0.37487E-03 ppm1 8.806 ppm2 7.630 CV 1 ASSI { 138} (( segid " " and resid 931 and name H )) (( segid " " and resid 931 and name HG1 )) 2.500 0.800 0.800 peak 138 spectrum 1 weight 0.10000E+01 volume 0.41926E-02 ppm1 8.045 ppm2 3.973 CV 1 ASSI { 838} (( segid " " and resid 1017 and name H )) (( segid " " and resid 1017 and name HA )) 2.900 1.000 1.000 peak 838 spectrum 1 weight 0.10000E+01 volume 0.21949E-02 ppm1 8.473 ppm2 3.847 CV 1 ASSI { 508} (( segid " " and resid 1002 and name H )) (( segid " " and resid 1001 and name HB )) 2.400 0.700 0.700 peak 508 spectrum 1 weight 0.10000E+01 volume 0.48782E-02 ppm1 7.630 ppm2 2.158 CV 1 ASSI { 947} (( segid " " and resid 998 and name H )) (( segid " " and resid 999 and name HB3 )) 4.600 2.600 1.400 peak 947 spectrum 1 weight 0.10000E+01 volume 0.46612E-03 ppm1 8.274 ppm2 1.809 CV 1 OR { 947} (( segid " " and resid 998 and name H )) (( segid " " and resid 999 and name HB2 )) ASSI { 1080} (( segid " " and resid 916 and name H )) (( segid " " and resid 915 and name HG3 )) 4.100 2.200 1.900 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.50311E-03 ppm1 8.254 ppm2 2.232 CV 1 OR { 1080} (( segid " " and resid 916 and name H )) (( segid " " and resid 915 and name HG2 )) ASSI { 315} (( segid " " and resid 1034 and name H )) ( segid " " and resid 1032 and name HB% ) 3.400 1.500 1.500 peak 315 spectrum 1 weight 0.10000E+01 volume 0.35760E-03 ppm1 8.177 ppm2 1.549 CV 1 ASSI { 1083} (( segid " " and resid 937 and name H )) (( segid " " and resid 936 and name HB3 )) 3.900 1.900 1.900 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.89773E-03 ppm1 7.930 ppm2 2.006 CV 1 ASSI { 61} (( segid " " and resid 966 and name H )) (( segid " " and resid 966 and name HB2 )) 2.400 0.700 0.700 peak 61 spectrum 1 weight 0.10000E+01 volume 0.34798E-02 ppm1 7.931 ppm2 1.327 CV 1 ASSI { 842} (( segid " " and resid 968 and name H )) (( segid " " and resid 968 and name HA )) 2.700 0.900 0.900 peak 842 spectrum 1 weight 0.10000E+01 volume 0.32431E-02 ppm1 8.192 ppm2 3.959 CV 1 ASSI { 296} (( segid " " and resid 969 and name H )) (( segid " " and resid 968 and name HA )) 3.500 1.500 1.500 peak 296 spectrum 1 weight 0.10000E+01 volume 0.85331E-03 ppm1 7.982 ppm2 3.959 CV 1 ASSI { 524} (( segid " " and resid 1035 and name H )) (( segid " " and resid 1032 and name HA )) 3.200 1.300 1.300 peak 524 spectrum 1 weight 0.10000E+01 volume 0.11887E-02 ppm1 8.520 ppm2 4.137 CV 1 ASSI { 535} (( segid " " and resid 1044 and name H )) (( segid " " and resid 1042 and name H )) 4.500 2.500 1.500 peak 535 spectrum 1 weight 0.10000E+01 volume 0.29348E-03 ppm1 7.315 ppm2 7.736 CV 1 ASSI { 432} (( segid " " and resid 1040 and name H )) (( segid " " and resid 1039 and name HB2 )) 3.400 1.400 1.400 peak 432 spectrum 1 weight 0.10000E+01 volume 0.29028E-02 ppm1 8.322 ppm2 2.126 CV 1 ASSI { 83} (( segid " " and resid 932 and name H )) (( segid " " and resid 932 and name HG12)) 3.600 1.600 1.600 peak 83 spectrum 1 weight 0.10000E+01 volume 0.21308E-02 ppm1 8.383 ppm2 0.941 CV 1 ASSI { 862} (( segid " " and resid 1041 and name H )) (( segid " " and resid 1040 and name HB3 )) 3.600 1.600 1.600 peak 862 spectrum 1 weight 0.10000E+01 volume 0.15488E-02 ppm1 7.619 ppm2 1.826 CV 1 ASSI { 1018} (( segid " " and resid 915 and name H )) (( segid " " and resid 914 and name H )) 2.600 0.900 0.900 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.22738E-02 ppm1 7.781 ppm2 8.006 CV 1 ASSI { 302} (( segid " " and resid 976 and name H )) (( segid " " and resid 976 and name HG2 )) 3.100 1.200 1.200 peak 302 spectrum 1 weight 0.10000E+01 volume 0.14896E-02 ppm1 7.048 ppm2 2.212 CV 1 ASSI { 29} (( segid " " and resid 998 and name H )) (( segid " " and resid 997 and name HA3 )) 3.000 1.100 1.100 peak 29 spectrum 1 weight 0.10000E+01 volume 0.12800E-02 ppm1 8.273 ppm2 3.200 CV 1 ASSI { 367} (( segid " " and resid 972 and name H )) (( segid " " and resid 971 and name HB3 )) 2.700 0.900 0.900 peak 367 spectrum 1 weight 0.10000E+01 volume 0.27178E-02 ppm1 8.629 ppm2 1.788 CV 1 OR { 367} (( segid " " and resid 972 and name H )) (( segid " " and resid 971 and name HB2 )) ASSI { 15} (( segid " " and resid 990 and name H )) ( segid " " and resid 988 and name HB% ) 3.400 1.500 1.500 peak 15 spectrum 1 weight 0.10000E+01 volume 0.37487E-03 ppm1 8.119 ppm2 1.458 CV 1 ASSI { 1026} (( segid " " and resid 940 and name H )) (( segid " " and resid 939 and name H )) 3.000 1.100 1.100 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.20840E-02 ppm1 7.624 ppm2 7.809 CV 1 ASSI { 865} (( segid " " and resid 981 and name H )) ( segid " " and resid 982 and name HB% ) 4.700 2.700 1.300 peak 865 spectrum 1 weight 0.10000E+01 volume 0.39460E-03 ppm1 7.906 ppm2 1.460 CV 1 ASSI { 137} (( segid " " and resid 941 and name H )) ( segid " " and resid 941 and name HB% ) 2.600 0.900 0.900 peak 137 spectrum 1 weight 0.10000E+01 volume 0.50952E-02 ppm1 7.741 ppm2 1.282 CV 1 ASSI { 901} (( segid " " and resid 973 and name H )) (( segid " " and resid 972 and name H )) 2.700 0.900 0.900 peak 901 spectrum 1 weight 0.10000E+01 volume 0.24021E-02 ppm1 7.289 ppm2 8.628 CV 1 ASSI { 487} (( segid " " and resid 1021 and name H )) (( segid " " and resid 1020 and name HA )) 3.600 1.700 1.700 peak 487 spectrum 1 weight 0.10000E+01 volume 0.59683E-03 ppm1 8.398 ppm2 3.924 CV 1 ASSI { 180} (( segid " " and resid 962 and name H )) (( segid " " and resid 962 and name HG3 )) 4.000 2.000 2.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.10728E-02 ppm1 7.467 ppm2 2.403 CV 1 ASSI { 1078} (( segid " " and resid 937 and name H )) (( segid " " and resid 936 and name H )) 2.700 0.900 0.900 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.22221E-02 ppm1 7.931 ppm2 8.455 CV 1 ASSI { 1139} (( segid " " and resid 1035 and name H )) (( segid " " and resid 1031 and name HA )) 3.900 1.900 1.900 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.50558E-03 ppm1 8.522 ppm2 4.043 CV 1 ASSI { 998} (( segid " " and resid 971 and name H )) (( segid " " and resid 972 and name H )) 2.700 0.900 0.900 peak 998 spectrum 1 weight 0.10000E+01 volume 0.22887E-02 ppm1 8.295 ppm2 8.628 CV 1 ASSI { 709} (( segid " " and resid 1027 and name H )) (( segid " " and resid 1027 and name HB2 )) 2.600 0.800 0.800 peak 709 spectrum 1 weight 0.10000E+01 volume 0.32875E-02 ppm1 8.796 ppm2 1.894 CV 1 ASSI { 202} (( segid " " and resid 967 and name H )) ( segid " " and resid 966 and name HD1%) 4.500 2.500 1.500 peak 202 spectrum 1 weight 0.10000E+01 volume 0.49571E-03 ppm1 8.221 ppm2 -0.046 CV 1 ASSI { 741} (( segid " " and resid 991 and name HE21)) (( segid " " and resid 991 and name HG3 )) 2.900 1.000 1.000 peak 741 spectrum 1 weight 0.10000E+01 volume 0.12800E-02 ppm1 7.187 ppm2 2.512 CV 1 ASSI { 1038} (( segid " " and resid 999 and name H )) (( segid " " and resid 999 and name HB3 )) 2.300 0.700 0.700 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.68016E-02 ppm1 7.752 ppm2 1.809 CV 1 OR { 1038} (( segid " " and resid 999 and name H )) (( segid " " and resid 999 and name HB2 )) ASSI { 925} (( segid " " and resid 958 and name H )) ( segid " " and resid 958 and name HB% ) 2.300 0.700 0.700 peak 925 spectrum 1 weight 0.10000E+01 volume 0.80500E-02 ppm1 7.565 ppm2 1.444 CV 1 ASSI { 905} (( segid " " and resid 930 and name H )) (( segid " " and resid 930 and name HB2 )) 2.300 0.700 0.700 peak 905 spectrum 1 weight 0.10000E+01 volume 0.47968E-02 ppm1 7.887 ppm2 2.189 CV 1 ASSI { 259} (( segid " " and resid 1015 and name H )) (( segid " " and resid 1014 and name HA )) 3.500 1.500 1.500 peak 259 spectrum 1 weight 0.10000E+01 volume 0.90760E-03 ppm1 8.425 ppm2 3.959 CV 1 ASSI { 555} (( segid " " and resid 940 and name H )) ( segid " " and resid 939 and name HB% ) 3.300 1.300 1.300 peak 555 spectrum 1 weight 0.10000E+01 volume 0.18793E-02 ppm1 7.623 ppm2 1.326 CV 1 ASSI { 330} (( segid " " and resid 957 and name H )) (( segid " " and resid 957 and name HG3 )) 3.200 1.200 1.200 peak 330 spectrum 1 weight 0.10000E+01 volume 0.17831E-02 ppm1 7.591 ppm2 1.495 CV 1 OR { 330} (( segid " " and resid 957 and name H )) (( segid " " and resid 957 and name HG2 )) ASSI { 8} (( segid " " and resid 959 and name H )) (( segid " " and resid 958 and name HA )) 3.600 1.600 1.600 peak 8 spectrum 1 weight 0.10000E+01 volume 0.79412E-03 ppm1 7.544 ppm2 4.156 CV 1 ASSI { 319} (( segid " " and resid 912 and name H )) (( segid " " and resid 915 and name HG2 )) 3.800 1.800 1.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.64124E-03 ppm1 8.249 ppm2 2.233 CV 1 OR { 319} (( segid " " and resid 912 and name H )) (( segid " " and resid 915 and name HG3 )) ASSI { 863} (( segid " " and resid 1005 and name H )) (( segid " " and resid 1005 and name HG2 )) 3.600 1.700 1.700 peak 863 spectrum 1 weight 0.10000E+01 volume 0.18250E-02 ppm1 8.231 ppm2 1.344 CV 1 ASSI { 620} (( segid " " and resid 924 and name H )) (( segid " " and resid 923 and name HB3 )) 3.200 1.300 1.300 peak 620 spectrum 1 weight 0.10000E+01 volume 0.30236E-02 ppm1 8.223 ppm2 1.973 CV 1 OR { 620} (( segid " " and resid 924 and name H )) (( segid " " and resid 923 and name HB2 )) ASSI { 1043} (( segid " " and resid 936 and name H )) (( segid " " and resid 933 and name HA )) 3.300 1.400 1.400 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.88536E-03 ppm1 8.456 ppm2 4.122 CV 1 ASSI { 885} (( segid " " and resid 1021 and name H )) (( segid " " and resid 1021 and name HB2 )) 2.600 0.800 0.800 peak 885 spectrum 1 weight 0.10000E+01 volume 0.38029E-02 ppm1 8.397 ppm2 4.078 CV 1 ASSI { 110} (( segid " " and resid 1003 and name H )) (( segid " " and resid 1004 and name H )) 2.500 0.800 0.800 peak 110 spectrum 1 weight 0.10000E+01 volume 0.36352E-02 ppm1 8.347 ppm2 8.807 CV 1 ASSI { 1060} (( segid " " and resid 962 and name H )) (( segid " " and resid 960 and name H )) 4.200 2.200 1.800 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.33541E-03 ppm1 7.463 ppm2 8.670 CV 1 ASSI { 840} (( segid " " and resid 912 and name H )) (( segid " " and resid 915 and name HB3 )) 3.200 1.300 1.300 peak 840 spectrum 1 weight 0.10000E+01 volume 0.13293E-02 ppm1 8.250 ppm2 1.732 CV 1 ASSI { 988} (( segid " " and resid 979 and name H )) (( segid " " and resid 979 and name HB2 )) 2.600 0.800 0.800 peak 988 spectrum 1 weight 0.10000E+01 volume 0.40545E-02 ppm1 7.429 ppm2 4.085 CV 1 ASSI { 1113} (( segid " " and resid 957 and name H )) (( segid " " and resid 956 and name HB3 )) 3.500 1.500 1.500 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.79167E-03 ppm1 7.591 ppm2 2.708 CV 1 ASSI { 801} (( segid " " and resid 968 and name H )) ( segid " " and resid 967 and name HG1%) 3.400 1.500 1.500 peak 801 spectrum 1 weight 0.10000E+01 volume 0.15463E-02 ppm1 8.191 ppm2 0.796 CV 1 ASSI { 965} (( segid " " and resid 1032 and name H )) (( segid " " and resid 1031 and name HB2 )) 2.700 0.900 0.900 peak 965 spectrum 1 weight 0.10000E+01 volume 0.26980E-02 ppm1 7.712 ppm2 2.025 CV 1 ASSI { 716} (( segid " " and resid 991 and name H )) (( segid " " and resid 991 and name HB3 )) 3.500 1.600 1.600 peak 716 spectrum 1 weight 0.10000E+01 volume 0.22270E-02 ppm1 8.262 ppm2 2.008 CV 1 ASSI { 581} (( segid " " and resid 991 and name HE22)) (( segid " " and resid 991 and name HG2 )) 3.800 1.800 1.800 peak 581 spectrum 1 weight 0.10000E+01 volume 0.13367E-02 ppm1 6.596 ppm2 2.271 CV 1 ASSI { 158} (( segid " " and resid 928 and name H )) (( segid " " and resid 927 and name H )) 2.700 0.900 0.900 peak 158 spectrum 1 weight 0.10000E+01 volume 0.27991E-02 ppm1 8.950 ppm2 8.503 CV 1 ASSI { 558} (( segid " " and resid 963 and name H )) (( segid " " and resid 960 and name HA )) 3.300 1.400 1.400 peak 558 spectrum 1 weight 0.10000E+01 volume 0.96924E-03 ppm1 7.923 ppm2 3.926 CV 1 ASSI { 946} (( segid " " and resid 982 and name H )) (( segid " " and resid 973 and name HA )) 5.700 4.000 0.300 peak 946 spectrum 1 weight 0.10000E+01 volume 0.12085E-03 ppm1 8.063 ppm2 3.997 CV 1 ASSI { 163} (( segid " " and resid 962 and name H )) (( segid " " and resid 960 and name HA )) 3.900 1.900 1.900 peak 163 spectrum 1 weight 0.10000E+01 volume 0.36993E-03 ppm1 7.467 ppm2 3.928 CV 1 ASSI { 1164} (( segid " " and resid 916 and name H )) (( segid " " and resid 916 and name HD2 )) 4.200 2.200 1.800 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.52777E-03 ppm1 8.258 ppm2 3.135 CV 1 ASSI { 126} (( segid " " and resid 965 and name H )) (( segid " " and resid 964 and name HD2 )) 2.700 0.900 0.900 peak 126 spectrum 1 weight 0.10000E+01 volume 0.19804E-02 ppm1 6.857 ppm2 3.686 CV 1 ASSI { 630} (( segid " " and resid 1041 and name H )) (( segid " " and resid 1040 and name HB2 )) 3.000 1.100 1.100 peak 630 spectrum 1 weight 0.10000E+01 volume 0.11517E-02 ppm1 7.619 ppm2 1.737 CV 1 ASSI { 1073} (( segid " " and resid 1018 and name H )) (( segid " " and resid 1018 and name HB2 )) 2.400 0.700 0.700 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.47574E-02 ppm1 8.359 ppm2 2.181 CV 1 ASSI { 993} (( segid " " and resid 921 and name H )) (( segid " " and resid 922 and name H )) 2.600 0.800 0.800 peak 993 spectrum 1 weight 0.10000E+01 volume 0.28781E-02 ppm1 9.024 ppm2 8.137 CV 1 ASSI { 856} (( segid " " and resid 1040 and name H )) (( segid " " and resid 1040 and name HB2 )) 2.600 0.800 0.800 peak 856 spectrum 1 weight 0.10000E+01 volume 0.24662E-02 ppm1 8.323 ppm2 1.736 CV 1 ASSI { 691} (( segid " " and resid 912 and name H )) (( segid " " and resid 915 and name HB2 )) 2.800 1.000 1.000 peak 691 spectrum 1 weight 0.10000E+01 volume 0.19188E-02 ppm1 8.250 ppm2 2.104 CV 1 ASSI { 27} (( segid " " and resid 938 and name H )) (( segid " " and resid 937 and name H )) 2.900 1.000 1.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.16006E-02 ppm1 7.808 ppm2 7.931 CV 1 ASSI { 350} (( segid " " and resid 1039 and name H )) (( segid " " and resid 1038 and name H )) 2.600 0.800 0.800 peak 350 spectrum 1 weight 0.10000E+01 volume 0.33491E-02 ppm1 7.845 ppm2 8.723 CV 1 ASSI { 918} (( segid " " and resid 1031 and name H )) (( segid " " and resid 1031 and name HG )) 2.200 0.600 0.600 peak 918 spectrum 1 weight 0.10000E+01 volume 0.62324E-02 ppm1 9.204 ppm2 2.023 CV 1 OR { 918} (( segid " " and resid 1031 and name H )) (( segid " " and resid 1031 and name HB2 )) ASSI { 780} (( segid " " and resid 1035 and name H )) (( segid " " and resid 1035 and name HB3 )) 2.500 0.800 0.800 peak 780 spectrum 1 weight 0.10000E+01 volume 0.32110E-02 ppm1 8.519 ppm2 2.034 CV 1 ASSI { 211} (( segid " " and resid 917 and name H )) (( segid " " and resid 917 and name HB2 )) 2.600 0.800 0.800 peak 211 spectrum 1 weight 0.10000E+01 volume 0.27301E-02 ppm1 7.591 ppm2 2.175 CV 1 ASSI { 715} (( segid " " and resid 932 and name H )) ( segid " " and resid 932 and name HD1%) 3.400 1.500 1.500 peak 715 spectrum 1 weight 0.10000E+01 volume 0.30754E-02 ppm1 8.383 ppm2 0.840 CV 1 OR { 715} (( segid " " and resid 932 and name H )) ( segid " " and resid 932 and name HG2%) ASSI { 206} (( segid " " and resid 1000 and name H )) (( segid " " and resid 1000 and name HA )) 2.700 0.900 0.900 peak 206 spectrum 1 weight 0.10000E+01 volume 0.25501E-02 ppm1 7.748 ppm2 4.216 CV 1 ASSI { 486} (( segid " " and resid 995 and name H )) (( segid " " and resid 994 and name HB3 )) 3.300 1.400 1.400 peak 486 spectrum 1 weight 0.10000E+01 volume 0.22541E-02 ppm1 8.344 ppm2 1.926 CV 1 ASSI { 652} (( segid " " and resid 1032 and name H )) ( segid " " and resid 1031 and name HD1%) 3.300 1.300 1.300 peak 652 spectrum 1 weight 0.10000E+01 volume 0.49818E-03 ppm1 7.710 ppm2 0.703 CV 1 ASSI { 655} (( segid " " and resid 1037 and name H )) (( segid " " and resid 1033 and name HA )) 4.100 2.100 1.900 peak 655 spectrum 1 weight 0.10000E+01 volume 0.28115E-03 ppm1 8.536 ppm2 4.161 CV 1 ASSI { 306} (( segid " " and resid 929 and name H )) (( segid " " and resid 929 and name HB )) 2.500 0.800 0.800 peak 306 spectrum 1 weight 0.10000E+01 volume 0.47031E-02 ppm1 8.339 ppm2 4.427 CV 1 ASSI { 389} (( segid " " and resid 988 and name H )) (( segid " " and resid 987 and name HB )) 2.500 0.800 0.800 peak 389 spectrum 1 weight 0.10000E+01 volume 0.37561E-02 ppm1 8.513 ppm2 1.871 CV 1 ASSI { 752} (( segid " " and resid 984 and name H )) ( segid " " and resid 987 and name HD1%) 4.100 2.100 1.900 peak 752 spectrum 1 weight 0.10000E+01 volume 0.35760E-03 ppm1 8.315 ppm2 0.715 CV 1 OR { 752} (( segid " " and resid 984 and name H )) (( segid " " and resid 987 and name HG13)) ASSI { 639} (( segid " " and resid 963 and name H )) ( segid " " and resid 993 and name HE% ) 3.500 1.600 1.600 peak 639 spectrum 1 weight 0.10000E+01 volume 0.74724E-03 ppm1 7.923 ppm2 6.922 CV 1 ASSI { 567} (( segid " " and resid 938 and name H )) (( segid " " and resid 935 and name HA )) 3.400 1.400 1.400 peak 567 spectrum 1 weight 0.10000E+01 volume 0.87059E-03 ppm1 7.807 ppm2 3.896 CV 1 ASSI { 288} (( segid " " and resid 949 and name H )) (( segid " " and resid 950 and name HD2 )) 3.900 1.900 1.900 peak 288 spectrum 1 weight 0.10000E+01 volume 0.10407E-02 ppm1 8.591 ppm2 3.559 CV 1 ASSI { 341} (( segid " " and resid 1044 and name H )) (( segid " " and resid 1043 and name H )) 2.400 0.700 0.700 peak 341 spectrum 1 weight 0.10000E+01 volume 0.46784E-02 ppm1 7.309 ppm2 7.528 CV 1 ASSI { 373} (( segid " " and resid 1006 and name H )) (( segid " " and resid 1005 and name HB2 )) 2.700 0.900 0.900 peak 373 spectrum 1 weight 0.10000E+01 volume 0.35933E-02 ppm1 7.790 ppm2 1.794 CV 1 OR { 373} (( segid " " and resid 1006 and name H )) (( segid " " and resid 1005 and name HB3 )) ASSI { 827} (( segid " " and resid 982 and name H )) (( segid " " and resid 979 and name HB3 )) 3.500 1.500 1.500 peak 827 spectrum 1 weight 0.10000E+01 volume 0.56723E-03 ppm1 8.065 ppm2 3.853 CV 1 ASSI { 145} (( segid " " and resid 1032 and name H )) (( segid " " and resid 1033 and name H )) 2.600 0.800 0.800 peak 145 spectrum 1 weight 0.10000E+01 volume 0.32529E-02 ppm1 7.711 ppm2 7.834 CV 1 ASSI { 33} (( segid " " and resid 919 and name H )) ( segid " " and resid 920 and name HB% ) 4.300 2.300 1.700 peak 33 spectrum 1 weight 0.10000E+01 volume 0.75711E-03 ppm1 8.052 ppm2 1.419 CV 1 ASSI { 992} (( segid " " and resid 965 and name H )) (( segid " " and resid 967 and name H )) 3.800 1.800 1.800 peak 992 spectrum 1 weight 0.10000E+01 volume 0.65601E-03 ppm1 6.857 ppm2 8.217 CV 1 ASSI { 79} (( segid " " and resid 987 and name H )) (( segid " " and resid 986 and name HG )) 3.900 1.900 1.900 peak 79 spectrum 1 weight 0.10000E+01 volume 0.74724E-03 ppm1 8.442 ppm2 1.299 CV 1 ASSI { 450} (( segid " " and resid 952 and name H )) (( segid " " and resid 952 and name HB3 )) 3.200 1.300 1.300 peak 450 spectrum 1 weight 0.10000E+01 volume 0.22591E-02 ppm1 8.003 ppm2 1.409 CV 1 OR { 450} (( segid " " and resid 952 and name H )) (( segid " " and resid 952 and name HG )) ASSI { 428} (( segid " " and resid 979 and name H )) (( segid " " and resid 976 and name HB2 )) 3.900 1.900 1.900 peak 428 spectrum 1 weight 0.10000E+01 volume 0.86814E-03 ppm1 7.427 ppm2 1.960 CV 1 ASSI { 659} (( segid " " and resid 971 and name H )) (( segid " " and resid 970 and name HB )) 2.400 0.700 0.700 peak 659 spectrum 1 weight 0.10000E+01 volume 0.36623E-02 ppm1 8.294 ppm2 2.187 CV 1 ASSI { 1028} (( segid " " and resid 1036 and name H )) (( segid " " and resid 1035 and name HB3 )) 2.500 0.800 0.800 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.29669E-02 ppm1 7.943 ppm2 2.036 CV 1 ASSI { 725} (( segid " " and resid 1020 and name H )) (( segid " " and resid 1020 and name HB2 )) 2.400 0.700 0.700 peak 725 spectrum 1 weight 0.10000E+01 volume 0.33417E-02 ppm1 7.955 ppm2 1.227 CV 1 ASSI { 153} (( segid " " and resid 1023 and name H )) (( segid " " and resid 1022 and name HB3 )) 2.800 1.000 1.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.15661E-02 ppm1 8.368 ppm2 2.221 CV 1 ASSI { 495} (( segid " " and resid 1029 and name H )) (( segid " " and resid 1028 and name H )) 2.700 0.900 0.900 peak 495 spectrum 1 weight 0.10000E+01 volume 0.28164E-02 ppm1 8.077 ppm2 8.584 CV 1 ASSI { 577} (( segid " " and resid 970 and name H )) (( segid " " and resid 970 and name HB )) 2.400 0.700 0.700 peak 577 spectrum 1 weight 0.10000E+01 volume 0.43751E-02 ppm1 8.051 ppm2 2.186 CV 1 ASSI { 474} (( segid " " and resid 1034 and name H )) ( segid " " and resid 920 and name HB% ) 3.500 1.500 1.500 peak 474 spectrum 1 weight 0.10000E+01 volume 0.13047E-02 ppm1 8.177 ppm2 1.426 CV 1 ASSI { 1066} (( segid " " and resid 1030 and name H )) (( segid " " and resid 1030 and name HA )) 2.700 0.900 0.900 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.35390E-02 ppm1 8.277 ppm2 4.150 CV 1 ASSI { 774} (( segid " " and resid 981 and name H )) (( segid " " and resid 980 and name HG3 )) 4.400 2.400 1.600 peak 774 spectrum 1 weight 0.10000E+01 volume 0.65846E-03 ppm1 7.900 ppm2 2.122 CV 1 ASSI { 692} (( segid " " and resid 1022 and name H )) (( segid " " and resid 1022 and name HB3 )) 2.500 0.800 0.800 peak 692 spectrum 1 weight 0.10000E+01 volume 0.38276E-02 ppm1 8.394 ppm2 2.221 CV 1 ASSI { 174} (( segid " " and resid 1003 and name H )) (( segid " " and resid 1003 and name HA )) 2.500 0.800 0.800 peak 174 spectrum 1 weight 0.10000E+01 volume 0.53566E-02 ppm1 8.347 ppm2 4.058 CV 1 ASSI { 913} (( segid " " and resid 1013 and name H )) (( segid " " and resid 1013 and name HB2 )) 2.500 0.800 0.800 peak 913 spectrum 1 weight 0.10000E+01 volume 0.50139E-02 ppm1 7.553 ppm2 2.623 CV 1 OR { 913} (( segid " " and resid 1013 and name H )) (( segid " " and resid 1013 and name HB3 )) ASSI { 261} (( segid " " and resid 965 and name H )) (( segid " " and resid 964 and name HG2 )) 3.000 1.100 1.100 peak 261 spectrum 1 weight 0.10000E+01 volume 0.12849E-02 ppm1 6.858 ppm2 1.988 CV 1 ASSI { 579} (( segid " " and resid 983 and name H )) (( segid " " and resid 983 and name HB3 )) 3.400 1.500 1.500 peak 579 spectrum 1 weight 0.10000E+01 volume 0.22468E-02 ppm1 7.788 ppm2 1.956 CV 1 ASSI { 846} (( segid " " and resid 978 and name H )) (( segid " " and resid 977 and name HB3 )) 3.600 1.600 1.600 peak 846 spectrum 1 weight 0.10000E+01 volume 0.15636E-02 ppm1 8.370 ppm2 1.845 CV 1 ASSI { 1086} (( segid " " and resid 1023 and name H )) (( segid " " and resid 1022 and name HA )) 3.600 1.600 1.600 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.83358E-03 ppm1 8.369 ppm2 3.997 CV 1 ASSI { 218} (( segid " " and resid 939 and name H )) (( segid " " and resid 936 and name HA )) 3.500 1.500 1.500 peak 218 spectrum 1 weight 0.10000E+01 volume 0.82617E-03 ppm1 7.809 ppm2 3.948 CV 1 ASSI { 1097} (( segid " " and resid 990 and name H )) (( segid " " and resid 990 and name HG )) 2.500 0.800 0.800 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.40422E-02 ppm1 8.116 ppm2 3.583 CV 1 ASSI { 84} (( segid " " and resid 991 and name H )) ( segid " " and resid 1038 and name HB% ) 3.500 1.500 1.500 peak 84 spectrum 1 weight 0.10000E+01 volume 0.11419E-02 ppm1 8.261 ppm2 1.402 CV 1 ASSI { 369} (( segid " " and resid 912 and name H )) (( segid " " and resid 912 and name HA )) 3.000 1.100 1.100 peak 369 spectrum 1 weight 0.10000E+01 volume 0.18300E-02 ppm1 8.251 ppm2 4.201 CV 1 ASSI { 608} (( segid " " and resid 909 and name H )) (( segid " " and resid 908 and name HB )) 3.800 1.800 1.800 peak 608 spectrum 1 weight 0.10000E+01 volume 0.82617E-03 ppm1 8.352 ppm2 1.719 CV 1 ASSI { 490} (( segid " " and resid 1011 and name H )) (( segid " " and resid 1011 and name HG12)) 3.800 1.800 1.800 peak 490 spectrum 1 weight 0.10000E+01 volume 0.15118E-02 ppm1 7.304 ppm2 1.121 CV 1 ASSI { 785} (( segid " " and resid 960 and name H )) (( segid " " and resid 961 and name H )) 2.600 0.900 0.900 peak 785 spectrum 1 weight 0.10000E+01 volume 0.30137E-02 ppm1 8.670 ppm2 7.463 CV 1 ASSI { 476} (( segid " " and resid 1039 and name H )) (( segid " " and resid 1039 and name HB3 )) 2.400 0.700 0.700 peak 476 spectrum 1 weight 0.10000E+01 volume 0.48067E-02 ppm1 7.845 ppm2 2.215 CV 1 ASSI { 966} (( segid " " and resid 1014 and name H )) (( segid " " and resid 1014 and name HA )) 3.000 1.100 1.100 peak 966 spectrum 1 weight 0.10000E+01 volume 0.17214E-02 ppm1 8.899 ppm2 3.960 CV 1 ASSI { 1069} (( segid " " and resid 956 and name H )) (( segid " " and resid 955 and name HB3 )) 3.400 1.400 1.400 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.99388E-03 ppm1 8.027 ppm2 3.787 CV 1 OR { 1069} (( segid " " and resid 956 and name H )) (( segid " " and resid 955 and name HB2 )) ASSI { 944} (( segid " " and resid 949 and name H )) (( segid " " and resid 949 and name HB2 )) 3.000 1.100 1.100 peak 944 spectrum 1 weight 0.10000E+01 volume 0.24416E-02 ppm1 8.591 ppm2 1.927 CV 1 OR { 944} (( segid " " and resid 949 and name H )) (( segid " " and resid 949 and name HB3 )) ASSI { 1156} (( segid " " and resid 959 and name H )) ( segid " " and resid 958 and name HB% ) 2.700 0.900 0.900 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.30384E-02 ppm1 7.546 ppm2 1.443 CV 1 ASSI { 325} (( segid " " and resid 986 and name H )) (( segid " " and resid 987 and name H )) 2.600 0.800 0.800 peak 325 spectrum 1 weight 0.10000E+01 volume 0.23577E-02 ppm1 7.563 ppm2 8.440 CV 1 ASSI { 150} (( segid " " and resid 994 and name H )) (( segid " " and resid 993 and name HB2 )) 4.300 2.300 1.700 peak 150 spectrum 1 weight 0.10000E+01 volume 0.69056E-03 ppm1 7.245 ppm2 3.383 CV 1 ASSI { 62} (( segid " " and resid 1036 and name H )) (( segid " " and resid 1033 and name HA )) 3.200 1.300 1.300 peak 62 spectrum 1 weight 0.10000E+01 volume 0.12331E-02 ppm1 7.943 ppm2 4.158 CV 1 ASSI { 71} (( segid " " and resid 993 and name H )) (( segid " " and resid 991 and name H )) 3.700 1.800 1.800 peak 71 spectrum 1 weight 0.10000E+01 volume 0.49078E-03 ppm1 7.674 ppm2 8.261 CV 1 ASSI { 887} (( segid " " and resid 922 and name H )) (( segid " " and resid 922 and name HB2 )) 2.400 0.700 0.700 peak 887 spectrum 1 weight 0.10000E+01 volume 0.57118E-02 ppm1 8.141 ppm2 1.825 CV 1 OR { 887} (( segid " " and resid 922 and name H )) (( segid " " and resid 922 and name HB3 )) ASSI { 660} (( segid " " and resid 1036 and name H )) ( segid " " and resid 994 and name HD1%) 4.100 2.100 1.900 peak 660 spectrum 1 weight 0.10000E+01 volume 0.73003E-03 ppm1 7.941 ppm2 0.925 CV 1 ASSI { 291} (( segid " " and resid 993 and name H )) (( segid " " and resid 993 and name HB3 )) 2.400 0.700 0.700 peak 291 spectrum 1 weight 0.10000E+01 volume 0.37734E-02 ppm1 7.671 ppm2 2.963 CV 1 ASSI { 559} (( segid " " and resid 1028 and name H )) (( segid " " and resid 1024 and name HA )) 3.900 1.900 1.900 peak 559 spectrum 1 weight 0.10000E+01 volume 0.44145E-03 ppm1 8.584 ppm2 3.916 CV 1 ASSI { 708} (( segid " " and resid 960 and name H )) (( segid " " and resid 959 and name HB )) 2.600 0.900 0.900 peak 708 spectrum 1 weight 0.10000E+01 volume 0.29225E-02 ppm1 8.671 ppm2 2.062 CV 1 ASSI { 940} (( segid " " and resid 916 and name H )) (( segid " " and resid 916 and name HB2 )) 2.600 0.800 0.800 peak 940 spectrum 1 weight 0.10000E+01 volume 0.43825E-02 ppm1 8.256 ppm2 1.850 CV 1 OR { 940} (( segid " " and resid 916 and name H )) (( segid " " and resid 916 and name HB3 )) ASSI { 924} (( segid " " and resid 990 and name H )) ( segid " " and resid 1034 and name HD1%) 4.100 2.100 1.900 peak 924 spectrum 1 weight 0.10000E+01 volume 0.88291E-03 ppm1 8.114 ppm2 0.835 CV 1 ASSI { 250} (( segid " " and resid 1008 and name H )) (( segid " " and resid 1008 and name HB )) 2.400 0.700 0.700 peak 250 spectrum 1 weight 0.10000E+01 volume 0.42764E-02 ppm1 7.530 ppm2 2.264 CV 1 ASSI { 511} (( segid " " and resid 1022 and name H )) (( segid " " and resid 1019 and name HA )) 3.300 1.300 1.300 peak 511 spectrum 1 weight 0.10000E+01 volume 0.11098E-02 ppm1 8.394 ppm2 4.162 CV 1 ASSI { 990} (( segid " " and resid 911 and name H )) (( segid " " and resid 910 and name HB3 )) 3.300 1.400 1.400 peak 990 spectrum 1 weight 0.10000E+01 volume 0.20297E-02 ppm1 8.108 ppm2 1.701 CV 1 ASSI { 760} (( segid " " and resid 1035 and name H )) ( segid " " and resid 1034 and name HD1%) 4.600 2.700 1.400 peak 760 spectrum 1 weight 0.10000E+01 volume 0.42419E-03 ppm1 8.518 ppm2 0.821 CV 1 ASSI { 185} (( segid " " and resid 974 and name H )) (( segid " " and resid 974 and name HB3 )) 3.500 1.500 1.500 peak 185 spectrum 1 weight 0.10000E+01 volume 0.28189E-02 ppm1 8.178 ppm2 2.027 CV 1 ASSI { 1029} (( segid " " and resid 944 and name H )) ( segid " " and resid 944 and name HB% ) 3.200 1.300 1.300 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.16820E-02 ppm1 8.184 ppm2 1.374 CV 1 ASSI { 127} (( segid " " and resid 915 and name HE22)) (( segid " " and resid 915 and name HE21)) 1.800 0.400 0.400 peak 127 spectrum 1 weight 0.10000E+01 volume 0.20245E-01 ppm1 6.767 ppm2 7.505 CV 1 ASSI { 728} (( segid " " and resid 985 and name H )) (( segid " " and resid 987 and name H )) 5.000 3.200 1.000 peak 728 spectrum 1 weight 0.10000E+01 volume 0.20716E-03 ppm1 7.885 ppm2 8.436 CV 1 ASSI { 313} (( segid " " and resid 990 and name H )) (( segid " " and resid 990 and name HB3 )) 3.500 1.600 1.600 peak 313 spectrum 1 weight 0.10000E+01 volume 0.21653E-02 ppm1 8.115 ppm2 3.390 CV 1 ASSI { 797} (( segid " " and resid 941 and name H )) (( segid " " and resid 942 and name HD2 )) 4.800 2.900 1.200 peak 797 spectrum 1 weight 0.10000E+01 volume 0.41186E-03 ppm1 7.740 ppm2 3.750 CV 1 ASSI { 596} (( segid " " and resid 956 and name H )) (( segid " " and resid 955 and name H )) 2.900 1.000 1.000 peak 596 spectrum 1 weight 0.10000E+01 volume 0.19533E-02 ppm1 8.027 ppm2 8.175 CV 1 ASSI { 503} (( segid " " and resid 953 and name H )) (( segid " " and resid 952 and name HB3 )) 2.800 1.000 1.000 peak 503 spectrum 1 weight 0.10000E+01 volume 0.18546E-02 ppm1 7.924 ppm2 1.418 CV 1 ASSI { 1042} (( segid " " and resid 1042 and name H )) (( segid " " and resid 1042 and name HB2 )) 2.400 0.700 0.700 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.43998E-02 ppm1 7.740 ppm2 2.118 CV 1 ASSI { 1127} (( segid " " and resid 986 and name H )) (( segid " " and resid 986 and name HB3 )) 3.000 1.100 1.100 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.27326E-02 ppm1 7.561 ppm2 1.372 CV 1 ASSI { 736} (( segid " " and resid 969 and name H )) (( segid " " and resid 965 and name HA )) 3.600 1.600 1.600 peak 736 spectrum 1 weight 0.10000E+01 volume 0.68315E-03 ppm1 7.981 ppm2 4.038 CV 1 ASSI { 1067} (( segid " " and resid 1000 and name H )) (( segid " " and resid 997 and name HA2 )) 3.500 1.500 1.500 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.51544E-03 ppm1 7.746 ppm2 3.271 CV 1 ASSI { 775} (( segid " " and resid 949 and name H )) (( segid " " and resid 950 and name HD3 )) 3.300 1.400 1.400 peak 775 spectrum 1 weight 0.10000E+01 volume 0.10851E-02 ppm1 8.591 ppm2 3.654 CV 1 ASSI { 693} (( segid " " and resid 917 and name H )) (( segid " " and resid 917 and name HB3 )) 2.900 1.100 1.100 peak 693 spectrum 1 weight 0.10000E+01 volume 0.26660E-02 ppm1 7.590 ppm2 1.116 CV 1 ASSI { 146} (( segid " " and resid 930 and name H )) (( segid " " and resid 931 and name H )) 2.700 0.900 0.900 peak 146 spectrum 1 weight 0.10000E+01 volume 0.24021E-02 ppm1 7.887 ppm2 8.043 CV 1 ASSI { 850} (( segid " " and resid 922 and name H )) (( segid " " and resid 921 and name HA )) 4.100 2.100 1.900 peak 850 spectrum 1 weight 0.10000E+01 volume 0.32061E-03 ppm1 8.138 ppm2 3.810 CV 1 ASSI { 166} (( segid " " and resid 969 and name H )) (( segid " " and resid 966 and name HA )) 3.200 1.300 1.300 peak 166 spectrum 1 weight 0.10000E+01 volume 0.95196E-03 ppm1 7.982 ppm2 3.886 CV 1 ASSI { 17} (( segid " " and resid 925 and name H )) (( segid " " and resid 924 and name HA )) 3.500 1.500 1.500 peak 17 spectrum 1 weight 0.10000E+01 volume 0.90760E-03 ppm1 8.120 ppm2 3.841 CV 1 ASSI { 843} (( segid " " and resid 1039 and name H )) (( segid " " and resid 1039 and name HB2 )) 2.500 0.800 0.800 peak 843 spectrum 1 weight 0.10000E+01 volume 0.46439E-02 ppm1 7.845 ppm2 2.129 CV 1 ASSI { 312} (( segid " " and resid 987 and name H )) (( segid " " and resid 987 and name HG12)) 3.600 1.600 1.600 peak 312 spectrum 1 weight 0.10000E+01 volume 0.27104E-02 ppm1 8.442 ppm2 1.726 CV 1 ASSI { 479} (( segid " " and resid 1022 and name H )) (( segid " " and resid 1021 and name HA )) 3.500 1.500 1.500 peak 479 spectrum 1 weight 0.10000E+01 volume 0.75962E-03 ppm1 8.393 ppm2 3.852 CV 1 ASSI { 164} (( segid " " and resid 985 and name H )) (( segid " " and resid 984 and name HB2 )) 2.900 1.000 1.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.22541E-02 ppm1 7.881 ppm2 1.766 CV 1 ASSI { 951} (( segid " " and resid 1005 and name H )) (( segid " " and resid 1004 and name HA )) 3.700 1.700 1.700 peak 951 spectrum 1 weight 0.10000E+01 volume 0.60913E-03 ppm1 8.231 ppm2 3.864 CV 1 ASSI { 1005} (( segid " " and resid 915 and name H )) (( segid " " and resid 915 and name HB2 )) 2.600 0.900 0.900 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.22196E-02 ppm1 7.780 ppm2 2.105 CV 1 ASSI { 874} (( segid " " and resid 1018 and name H )) (( segid " " and resid 1018 and name HB3 )) 3.200 1.300 1.300 peak 874 spectrum 1 weight 0.10000E+01 volume 0.31938E-02 ppm1 8.359 ppm2 2.091 CV 1 ASSI { 363} (( segid " " and resid 957 and name H )) (( segid " " and resid 956 and name HB2 )) 3.300 1.400 1.400 peak 363 spectrum 1 weight 0.10000E+01 volume 0.12972E-02 ppm1 7.592 ppm2 3.234 CV 1 ASSI { 141} (( segid " " and resid 954 and name H )) (( segid " " and resid 954 and name HG2 )) 3.300 1.300 1.300 peak 141 spectrum 1 weight 0.10000E+01 volume 0.14699E-02 ppm1 8.193 ppm2 2.407 CV 1 ASSI { 687} (( segid " " and resid 965 and name H )) (( segid " " and resid 966 and name HB2 )) 4.600 2.700 1.400 peak 687 spectrum 1 weight 0.10000E+01 volume 0.34527E-03 ppm1 6.859 ppm2 1.323 CV 1 ASSI { 563} (( segid " " and resid 974 and name H )) (( segid " " and resid 974 and name HB2 )) 2.700 0.900 0.900 peak 563 spectrum 1 weight 0.10000E+01 volume 0.20396E-02 ppm1 8.178 ppm2 1.833 CV 1 ASSI { 69} (( segid " " and resid 956 and name H )) (( segid " " and resid 956 and name HB3 )) 3.000 1.100 1.100 peak 69 spectrum 1 weight 0.10000E+01 volume 0.17362E-02 ppm1 8.027 ppm2 2.716 CV 1 ASSI { 1099} (( segid " " and resid 926 and name H )) (( segid " " and resid 925 and name H )) 2.500 0.800 0.800 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.35711E-02 ppm1 7.902 ppm2 8.120 CV 1 ASSI { 376} (( segid " " and resid 1035 and name H )) (( segid " " and resid 1034 and name HA )) 3.600 1.600 1.600 peak 376 spectrum 1 weight 0.10000E+01 volume 0.60423E-03 ppm1 8.521 ppm2 3.960 CV 1 ASSI { 2} (( segid " " and resid 951 and name H )) (( segid " " and resid 950 and name HA )) 3.400 1.500 1.500 peak 2 spectrum 1 weight 0.10000E+01 volume 0.75962E-03 ppm1 7.923 ppm2 4.243 CV 1 ASSI { 205} (( segid " " and resid 911 and name H )) (( segid " " and resid 912 and name H )) 3.300 1.400 1.400 peak 205 spectrum 1 weight 0.10000E+01 volume 0.13737E-02 ppm1 8.107 ppm2 8.246 CV 1 ASSI { 778} (( segid " " and resid 989 and name H )) (( segid " " and resid 990 and name H )) 2.700 0.900 0.900 peak 778 spectrum 1 weight 0.10000E+01 volume 0.25205E-02 ppm1 8.250 ppm2 8.115 CV 1 ASSI { 1027} (( segid " " and resid 925 and name H )) ( segid " " and resid 1027 and name HD1%) 4.000 2.000 2.000 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.51544E-03 ppm1 8.122 ppm2 0.921 CV 1 ASSI { 354} (( segid " " and resid 919 and name H )) (( segid " " and resid 918 and name HB3 )) 3.600 1.600 1.600 peak 354 spectrum 1 weight 0.10000E+01 volume 0.17979E-02 ppm1 8.053 ppm2 1.707 CV 1 ASSI { 305} (( segid " " and resid 976 and name H )) (( segid " " and resid 974 and name H )) 4.300 2.300 1.700 peak 305 spectrum 1 weight 0.10000E+01 volume 0.54011E-03 ppm1 7.047 ppm2 8.178 CV 1 ASSI { 122} (( segid " " and resid 952 and name H )) (( segid " " and resid 952 and name HB2 )) 2.800 1.000 1.000 peak 122 spectrum 1 weight 0.10000E+01 volume 0.14748E-02 ppm1 8.004 ppm2 2.017 CV 1 ASSI { 140} (( segid " " and resid 1035 and name H )) (( segid " " and resid 1036 and name H )) 2.900 1.000 1.000 peak 140 spectrum 1 weight 0.10000E+01 volume 0.19237E-02 ppm1 8.520 ppm2 7.941 CV 1 ASSI { 823} (( segid " " and resid 938 and name H )) ( segid " " and resid 938 and name HB% ) 2.400 0.700 0.700 peak 823 spectrum 1 weight 0.10000E+01 volume 0.64764E-02 ppm1 7.807 ppm2 1.363 CV 1 ASSI { 112} (( segid " " and resid 1021 and name H )) (( segid " " and resid 1020 and name HG )) 4.000 2.000 2.000 peak 112 spectrum 1 weight 0.10000E+01 volume 0.76949E-03 ppm1 8.397 ppm2 1.367 CV 1 ASSI { 517} (( segid " " and resid 1021 and name H )) (( segid " " and resid 1018 and name HA )) 3.300 1.400 1.400 peak 517 spectrum 1 weight 0.10000E+01 volume 0.11739E-02 ppm1 8.397 ppm2 4.191 CV 1 ASSI { 119} (( segid " " and resid 1007 and name H )) ( segid " " and resid 1006 and name HB% ) 3.000 1.100 1.100 peak 119 spectrum 1 weight 0.10000E+01 volume 0.27326E-02 ppm1 7.635 ppm2 1.416 CV 1 ASSI { 132} (( segid " " and resid 918 and name H )) ( segid " " and resid 917 and name HD1%) 4.000 2.000 2.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.86814E-03 ppm1 8.745 ppm2 0.705 CV 1 ASSI { 1138} (( segid " " and resid 997 and name H )) (( segid " " and resid 995 and name H )) 4.400 2.400 1.600 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.34281E-03 ppm1 7.836 ppm2 8.343 CV 1 ASSI { 805} (( segid " " and resid 1043 and name H )) (( segid " " and resid 1040 and name HA )) 3.100 1.200 1.200 peak 805 spectrum 1 weight 0.10000E+01 volume 0.16252E-02 ppm1 7.528 ppm2 3.963 CV 1 ASSI { 1068} (( segid " " and resid 979 and name H )) (( segid " " and resid 979 and name HA )) 2.900 1.000 1.000 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.19607E-02 ppm1 7.429 ppm2 4.926 CV 1 ASSI { 544} (( segid " " and resid 983 and name H )) (( segid " " and resid 985 and name H )) 3.900 1.900 1.900 peak 544 spectrum 1 weight 0.10000E+01 volume 0.44145E-03 ppm1 7.786 ppm2 7.877 CV 1 ASSI { 599} (( segid " " and resid 984 and name H )) (( segid " " and resid 984 and name HB2 )) 2.300 0.600 0.600 peak 599 spectrum 1 weight 0.10000E+01 volume 0.61828E-02 ppm1 8.313 ppm2 1.760 CV 1 ASSI { 385} (( segid " " and resid 992 and name H )) (( segid " " and resid 991 and name H )) 2.500 0.800 0.800 peak 385 spectrum 1 weight 0.10000E+01 volume 0.38720E-02 ppm1 8.326 ppm2 8.260 CV 1 ASSI { 591} (( segid " " and resid 983 and name H )) (( segid " " and resid 983 and name HG3 )) 3.200 1.200 1.200 peak 591 spectrum 1 weight 0.10000E+01 volume 0.16425E-02 ppm1 7.789 ppm2 2.259 CV 1 ASSI { 822} (( segid " " and resid 1023 and name H )) (( segid " " and resid 1023 and name HB3 )) 3.200 1.300 1.300 peak 822 spectrum 1 weight 0.10000E+01 volume 0.28041E-02 ppm1 8.369 ppm2 2.794 CV 1 ASSI { 582} (( segid " " and resid 1004 and name H )) (( segid " " and resid 1003 and name HA )) 3.500 1.500 1.500 peak 582 spectrum 1 weight 0.10000E+01 volume 0.84099E-03 ppm1 8.808 ppm2 4.057 CV 1 ASSI { 520} (( segid " " and resid 976 and name H )) (( segid " " and resid 976 and name HB3 )) 3.700 1.700 1.700 peak 520 spectrum 1 weight 0.10000E+01 volume 0.17485E-02 ppm1 7.049 ppm2 2.030 CV 1 ASSI { 427} (( segid " " and resid 1034 and name H )) (( segid " " and resid 1034 and name HB2 )) 2.600 0.800 0.800 peak 427 spectrum 1 weight 0.10000E+01 volume 0.29324E-02 ppm1 8.176 ppm2 2.201 CV 1 ASSI { 958} (( segid " " and resid 997 and name H )) (( segid " " and resid 997 and name HA2 )) 2.900 1.000 1.000 peak 958 spectrum 1 weight 0.10000E+01 volume 0.30211E-02 ppm1 7.835 ppm2 3.259 CV 1 ASSI { 791} (( segid " " and resid 924 and name H )) (( segid " " and resid 924 and name HA )) 2.600 0.800 0.800 peak 791 spectrum 1 weight 0.10000E+01 volume 0.37807E-02 ppm1 8.223 ppm2 3.842 CV 1 ASSI { 139} (( segid " " and resid 979 and name H )) (( segid " " and resid 976 and name HB3 )) 3.200 1.300 1.300 peak 139 spectrum 1 weight 0.10000E+01 volume 0.90509E-03 ppm1 7.426 ppm2 2.029 CV 1 ASSI { 869} (( segid " " and resid 965 and name H )) (( segid " " and resid 965 and name HB3 )) 3.300 1.400 1.400 peak 869 spectrum 1 weight 0.10000E+01 volume 0.36944E-02 ppm1 6.857 ppm2 2.069 CV 1 ASSI { 584} (( segid " " and resid 1002 and name H )) (( segid " " and resid 999 and name HA )) 3.100 1.200 1.200 peak 584 spectrum 1 weight 0.10000E+01 volume 0.14255E-02 ppm1 7.628 ppm2 4.048 CV 1 ASSI { 722} (( segid " " and resid 1025 and name H )) (( segid " " and resid 1024 and name HA )) 3.800 1.800 1.800 peak 722 spectrum 1 weight 0.10000E+01 volume 0.54011E-03 ppm1 7.949 ppm2 3.919 CV 1 ASSI { 1076} (( segid " " and resid 1020 and name HA )) (( segid " " and resid 1023 and name H )) 2.900 1.100 1.100 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.19547E-02 ppm1 3.928 ppm2 8.385 CV 1 OR { 1076} (( segid " " and resid 1020 and name HA )) (( segid " " and resid 1021 and name H )) ASSI { 2090} (( segid " " and resid 962 and name HG3 )) ( segid " " and resid 958 and name HB% ) 3.500 1.500 1.500 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.11218E-02 ppm1 2.398 ppm2 1.435 CV 1 OR { 2090} (( segid " " and resid 1014 and name HG2 )) ( segid " " and resid 1015 and name HB% ) ASSI { 1195} ( segid " " and resid 970 and name HG1%) (( segid " " and resid 922 and name HB2 )) 2.700 2.700 3.300 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.27373E-02 ppm1 0.726 ppm2 1.817 CV 1 OR { 1195} ( segid " " and resid 970 and name HG1%) (( segid " " and resid 974 and name HB2 )) ASSI { 2731} (( segid " " and resid 965 and name HA )) (( segid " " and resid 968 and name HB3 )) 2.500 0.800 0.800 peak 2731 spectrum 1 weight 0.10000E+01 volume 0.46887E-02 ppm1 4.039 ppm2 2.022 CV 1 OR { 2731} (( segid " " and resid 1031 and name HA )) (( segid " " and resid 1031 and name HB2 )) OR { 2731} (( segid " " and resid 1031 and name HA )) (( segid " " and resid 1031 and name HG )) ASSI { 2845} (( segid " " and resid 984 and name HB3 )) ( segid " " and resid 984 and name HD1%) 2.500 0.800 0.800 peak 2845 spectrum 1 weight 0.10000E+01 volume 0.74162E-02 ppm1 1.562 ppm2 0.843 CV 1 OR { 2845} (( segid " " and resid 951 and name HB3 )) ( segid " " and resid 951 and name HD1%) OR { 2845} (( segid " " and resid 984 and name HB3 )) ( segid " " and resid 984 and name HD2%) ASSI { 1858} ( segid " " and resid 965 and name HD1%) ( segid " " and resid 989 and name HB% ) 3.800 1.800 1.800 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.75574E-03 ppm1 0.932 ppm2 1.397 CV 1 OR { 1858} ( segid " " and resid 970 and name HG2%) ( segid " " and resid 989 and name HB% ) ASSI { 1234} (( segid " " and resid 962 and name HG3 )) (( segid " " and resid 962 and name HB3 )) 2.100 0.500 0.500 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.15749E-01 ppm1 2.402 ppm2 2.091 CV 1 OR { 1234} (( segid " " and resid 1022 and name HG3 )) (( segid " " and resid 1022 and name HB2 )) OR { 1234} (( segid " " and resid 1022 and name HG2 )) (( segid " " and resid 1022 and name HB2 )) OR { 1234} (( segid " " and resid 1012 and name HG3 )) (( segid " " and resid 1012 and name HB3 )) ASSI { 1711} (( segid " " and resid 1031 and name HA )) (( segid " " and resid 1034 and name H )) 2.900 1.100 1.100 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.22705E-02 ppm1 4.041 ppm2 8.181 CV 1 OR { 1711} (( segid " " and resid 965 and name HA )) (( segid " " and resid 968 and name H )) ASSI { 2439} (( segid " " and resid 971 and name HG2 )) (( segid " " and resid 971 and name HG3 )) 1.800 0.400 0.400 peak 2439 spectrum 1 weight 0.10000E+01 volume 0.14459E-01 ppm1 1.720 ppm2 1.552 CV 1 OR { 2439} (( segid " " and resid 916 and name HG2 )) (( segid " " and resid 916 and name HG3 )) ASSI { 2384} ( segid " " and resid 1020 and name HD2%) (( segid " " and resid 1021 and name H )) 3.200 1.300 1.300 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.19211E-02 ppm1 0.816 ppm2 8.383 CV 1 OR { 2384} ( segid " " and resid 1020 and name HD2%) (( segid " " and resid 1023 and name H )) ASSI { 2645} (( segid " " and resid 985 and name HA )) ( segid " " and resid 984 and name HD1%) 3.500 1.500 1.500 peak 2645 spectrum 1 weight 0.10000E+01 volume 0.10479E-02 ppm1 4.185 ppm2 0.838 CV 1 OR { 2645} (( segid " " and resid 985 and name HA )) ( segid " " and resid 984 and name HD2%) OR { 2645} (( segid " " and resid 958 and name HA )) ( segid " " and resid 959 and name HG1%) ASSI { 2982} ( segid " " and resid 963 and name HG2%) (( segid " " and resid 964 and name HA )) 2.800 1.000 1.000 peak 2982 spectrum 1 weight 0.10000E+01 volume 0.29926E-02 ppm1 0.848 ppm2 4.239 CV 1 OR { 2982} ( segid " " and resid 932 and name HG2%) (( segid " " and resid 956 and name HA )) ASSI { 543} ( segid " " and resid 932 and name HD1%) (( segid " " and resid 956 and name HA )) 3.200 1.300 1.300 peak 543 spectrum 1 weight 0.10000E+01 volume 0.19850E-02 ppm1 0.827 ppm2 4.233 CV 1 OR { 543} ( segid " " and resid 932 and name HD1%) (( segid " " and resid 931 and name HB )) ASSI { 2565} (( segid " " and resid 1014 and name HG2 )) (( segid " " and resid 1014 and name HE21)) 3.000 1.100 1.100 peak 2565 spectrum 1 weight 0.10000E+01 volume 0.16391E-02 ppm1 2.393 ppm2 7.384 CV 1 OR { 2565} (( segid " " and resid 1019 and name HG2 )) (( segid " " and resid 1019 and name HE21)) OR { 2565} (( segid " " and resid 1019 and name HG3 )) (( segid " " and resid 1019 and name HE21)) ASSI { 1002} (( segid " " and resid 983 and name HB3 )) ( segid " " and resid 914 and name HG1%) 3.700 1.700 1.700 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.12326E-02 ppm1 1.928 ppm2 0.896 CV 1 OR { 1002} (( segid " " and resid 1009 and name HG3 )) ( segid " " and resid 1008 and name HG1%) OR { 1002} (( segid " " and resid 1009 and name HG2 )) ( segid " " and resid 1008 and name HG1%) ASSI { 3300} (( segid " " and resid 960 and name HA )) (( segid " " and resid 960 and name H )) 2.400 0.700 0.700 peak 3300 spectrum 1 weight 0.10000E+01 volume 0.64016E-02 ppm1 3.924 ppm2 8.667 CV 1 OR { 3300} (( segid " " and resid 1024 and name HA )) (( segid " " and resid 1024 and name H )) ASSI { 252} (( segid " " and resid 1034 and name HA )) (( segid " " and resid 1034 and name HB2 )) 2.800 1.000 1.000 peak 252 spectrum 1 weight 0.10000E+01 volume 0.16122E-02 ppm1 3.969 ppm2 2.205 CV 1 OR { 252} (( segid " " and resid 1040 and name HA )) (( segid " " and resid 1043 and name HG2 )) ASSI { 1633} (( segid " " and resid 962 and name HA )) (( segid " " and resid 963 and name H )) 3.200 1.300 1.300 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.14207E-02 ppm1 4.364 ppm2 7.923 CV 1 OR { 1633} (( segid " " and resid 962 and name HA )) (( segid " " and resid 966 and name H )) ASSI { 3397} (( segid " " and resid 986 and name HA )) (( segid " " and resid 969 and name HA2 )) 4.100 2.100 1.900 peak 3397 spectrum 1 weight 0.10000E+01 volume 0.94377E-03 ppm1 4.041 ppm2 3.806 CV 1 OR { 3397} (( segid " " and resid 1031 and name HA )) (( segid " " and resid 994 and name HA )) ASSI { 533} (( segid " " and resid 1043 and name HG3 )) (( segid " " and resid 1040 and name HA )) 3.400 1.500 1.500 peak 533 spectrum 1 weight 0.10000E+01 volume 0.11520E-02 ppm1 2.424 ppm2 3.957 CV 1 OR { 533} (( segid " " and resid 1043 and name HG3 )) (( segid " " and resid 1044 and name HA )) ASSI { 359} (( segid " " and resid 964 and name HA )) (( segid " " and resid 964 and name HD3 )) 3.100 1.200 1.200 peak 359 spectrum 1 weight 0.10000E+01 volume 0.18439E-02 ppm1 4.241 ppm2 3.667 CV 1 OR { 359} (( segid " " and resid 950 and name HA )) (( segid " " and resid 950 and name HD3 )) OR { 359} (( segid " " and resid 964 and name HA )) (( segid " " and resid 964 and name HD2 )) ASSI { 3202} (( segid " " and resid 959 and name HA )) (( segid " " and resid 996 and name HB3 )) 3.500 1.600 1.600 peak 3202 spectrum 1 weight 0.10000E+01 volume 0.14846E-02 ppm1 3.392 ppm2 1.427 CV 1 OR { 3202} (( segid " " and resid 959 and name HA )) ( segid " " and resid 958 and name HB% ) ASSI { 2786} (( segid " " and resid 991 and name HG2 )) (( segid " " and resid 991 and name H )) 3.400 1.400 1.400 peak 2786 spectrum 1 weight 0.10000E+01 volume 0.22167E-02 ppm1 2.265 ppm2 8.260 CV 1 OR { 2786} (( segid " " and resid 915 and name HG2 )) (( segid " " and resid 912 and name H )) OR { 2786} (( segid " " and resid 915 and name HG3 )) (( segid " " and resid 912 and name H )) ASSI { 505} (( segid " " and resid 1016 and name HA )) (( segid " " and resid 1016 and name HB3 )) 2.500 0.800 0.800 peak 505 spectrum 1 weight 0.10000E+01 volume 0.49272E-02 ppm1 4.212 ppm2 3.747 CV 1 OR { 505} (( segid " " and resid 927 and name HA )) (( segid " " and resid 927 and name HB3 )) ASSI { 1403} (( segid " " and resid 1023 and name HB2 )) (( segid " " and resid 1020 and name HA )) 3.100 1.200 1.200 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.10613E-02 ppm1 3.322 ppm2 3.927 CV 1 OR { 1403} (( segid " " and resid 1023 and name HB2 )) (( segid " " and resid 1024 and name HA )) ASSI { 1278} (( segid " " and resid 1040 and name HG3 )) (( segid " " and resid 1040 and name HG2 )) 1.800 0.400 0.400 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.21919E-01 ppm1 1.502 ppm2 1.569 CV 1 OR { 1278} (( segid " " and resid 957 and name HG2 )) (( segid " " and resid 957 and name HD3 )) OR { 1278} (( segid " " and resid 957 and name HG3 )) (( segid " " and resid 957 and name HD3 )) OR { 1278} (( segid " " and resid 957 and name HG2 )) (( segid " " and resid 957 and name HD2 )) OR { 1278} (( segid " " and resid 957 and name HG3 )) (( segid " " and resid 957 and name HD2 )) OR { 1278} (( segid " " and resid 999 and name HG3 )) (( segid " " and resid 999 and name HD3 )) ASSI { 230} (( segid " " and resid 952 and name HG )) ( segid " " and resid 1004 and name HB% ) 4.000 2.000 2.000 peak 230 spectrum 1 weight 0.10000E+01 volume 0.91023E-03 ppm1 1.385 ppm2 1.280 CV 1 OR { 230} (( segid " " and resid 1020 and name HG )) ( segid " " and resid 1004 and name HB% ) ASSI { 3211} (( segid " " and resid 950 and name HB2 )) (( segid " " and resid 950 and name HG3 )) 2.400 0.700 0.700 peak 3211 spectrum 1 weight 0.10000E+01 volume 0.59617E-02 ppm1 2.273 ppm2 1.927 CV 1 OR { 3211} (( segid " " and resid 964 and name HB3 )) (( segid " " and resid 964 and name HG3 )) ASSI { 2874} (( segid " " and resid 1035 and name HG2 )) (( segid " " and resid 1035 and name HA )) 3.300 1.300 1.300 peak 2874 spectrum 1 weight 0.10000E+01 volume 0.14610E-02 ppm1 1.464 ppm2 3.805 CV 1 OR { 2874} (( segid " " and resid 1034 and name HG )) (( segid " " and resid 921 and name HA )) ASSI { 1324} (( segid " " and resid 983 and name HG3 )) ( segid " " and resid 914 and name HG2%) 3.200 1.300 1.300 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.22671E-02 ppm1 2.261 ppm2 0.800 CV 1 OR { 1324} (( segid " " and resid 991 and name HG2 )) ( segid " " and resid 987 and name HG2%) ASSI { 434} (( segid " " and resid 1039 and name HB2 )) (( segid " " and resid 1039 and name HB3 )) 1.700 0.400 0.500 peak 434 spectrum 1 weight 0.10000E+01 volume 0.18893E-01 ppm1 2.111 ppm2 2.219 CV 1 OR { 434} (( segid " " and resid 1022 and name HB2 )) (( segid " " and resid 1022 and name HB3 )) OR { 434} (( segid " " and resid 915 and name HB2 )) (( segid " " and resid 915 and name HG2 )) ASSI { 931} (( segid " " and resid 999 and name HB3 )) (( segid " " and resid 999 and name H )) 2.300 0.700 0.700 peak 931 spectrum 1 weight 0.10000E+01 volume 0.79364E-02 ppm1 1.807 ppm2 7.750 CV 1 OR { 931} (( segid " " and resid 999 and name HB2 )) (( segid " " and resid 999 and name H )) OR { 931} (( segid " " and resid 999 and name HB2 )) (( segid " " and resid 1000 and name H )) ASSI { 324} ( segid " " and resid 920 and name HB% ) (( segid " " and resid 920 and name H )) 2.100 0.600 0.600 peak 324 spectrum 1 weight 0.10000E+01 volume 0.14308E-01 ppm1 1.416 ppm2 8.362 CV 1 OR { 324} ( segid " " and resid 1002 and name HB% ) (( segid " " and resid 1003 and name H )) ASSI { 209} (( segid " " and resid 922 and name HE3 )) (( segid " " and resid 922 and name HB2 )) 2.800 1.000 1.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.41110E-02 ppm1 2.825 ppm2 1.810 CV 1 OR { 209} (( segid " " and resid 922 and name HE2 )) (( segid " " and resid 922 and name HB2 )) OR { 209} (( segid " " and resid 922 and name HE2 )) (( segid " " and resid 922 and name HB3 )) OR { 209} (( segid " " and resid 922 and name HE3 )) (( segid " " and resid 922 and name HB3 )) OR { 209} (( segid " " and resid 999 and name HE2 )) (( segid " " and resid 999 and name HB3 )) OR { 209} (( segid " " and resid 1005 and name HE3 )) (( segid " " and resid 1005 and name HB2 )) OR { 209} (( segid " " and resid 999 and name HE2 )) (( segid " " and resid 999 and name HB2 )) OR { 209} (( segid " " and resid 1005 and name HE3 )) (( segid " " and resid 1005 and name HB3 )) ASSI { 3434} (( segid " " and resid 922 and name HG3 )) (( segid " " and resid 922 and name HG2 )) 1.800 0.400 0.400 peak 3434 spectrum 1 weight 0.10000E+01 volume 0.93373E-02 ppm1 1.637 ppm2 1.326 CV 1 OR { 3434} (( segid " " and resid 1005 and name HG3 )) (( segid " " and resid 1005 and name HG2 )) ASSI { 3377} (( segid " " and resid 1014 and name HA )) (( segid " " and resid 1014 and name HG3 )) 2.700 0.900 0.900 peak 3377 spectrum 1 weight 0.10000E+01 volume 0.48835E-02 ppm1 3.952 ppm2 2.420 CV 1 OR { 3377} (( segid " " and resid 1039 and name HA )) (( segid " " and resid 1039 and name HG2 )) ASSI { 589} (( segid " " and resid 957 and name HE3 )) (( segid " " and resid 957 and name HG3 )) 2.600 0.900 0.900 peak 589 spectrum 1 weight 0.10000E+01 volume 0.54042E-02 ppm1 2.883 ppm2 1.499 CV 1 OR { 589} (( segid " " and resid 1040 and name HE3 )) (( segid " " and resid 1040 and name HG3 )) OR { 589} (( segid " " and resid 1025 and name HE3 )) (( segid " " and resid 1025 and name HG3 )) OR { 589} (( segid " " and resid 957 and name HE3 )) (( segid " " and resid 957 and name HG2 )) OR { 589} (( segid " " and resid 1025 and name HE2 )) (( segid " " and resid 1025 and name HG3 )) OR { 589} (( segid " " and resid 957 and name HE2 )) (( segid " " and resid 957 and name HG2 )) ASSI { 2274} (( segid " " and resid 1019 and name HG3 )) (( segid " " and resid 1020 and name H )) 4.000 2.000 2.000 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.10546E-02 ppm1 2.399 ppm2 7.930 CV 1 OR { 2274} (( segid " " and resid 1019 and name HG2 )) (( segid " " and resid 1020 and name H )) OR { 2274} (( segid " " and resid 1019 and name HG2 )) (( segid " " and resid 1019 and name H )) OR { 2274} (( segid " " and resid 1019 and name HG3 )) (( segid " " and resid 1019 and name H )) ASSI { 729} ( segid " " and resid 935 and name HB% ) ( segid " " and resid 952 and name HD1%) 2.100 0.600 0.600 peak 729 spectrum 1 weight 0.10000E+01 volume 0.14946E-01 ppm1 1.353 ppm2 0.824 CV 1 OR { 729} ( segid " " and resid 935 and name HB% ) ( segid " " and resid 1020 and name HD2%) ASSI { 3036} ( segid " " and resid 1003 and name HB% ) (( segid " " and resid 951 and name HB3 )) 2.600 0.800 0.800 peak 3036 spectrum 1 weight 0.10000E+01 volume 0.36341E-02 ppm1 1.330 ppm2 1.534 CV 1 OR { 3036} ( segid " " and resid 1037 and name HB% ) (( segid " " and resid 916 and name HG3 )) ASSI { 1984} (( segid " " and resid 1005 and name HE3 )) (( segid " " and resid 1005 and name HD2 )) 2.000 0.500 0.500 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.15890E-01 ppm1 2.827 ppm2 1.585 CV 1 OR { 1984} (( segid " " and resid 922 and name HE2 )) (( segid " " and resid 922 and name HD2 )) OR { 1984} (( segid " " and resid 922 and name HE3 )) (( segid " " and resid 922 and name HD3 )) OR { 1984} (( segid " " and resid 999 and name HE3 )) (( segid " " and resid 999 and name HD3 )) OR { 1984} (( segid " " and resid 922 and name HE3 )) (( segid " " and resid 922 and name HD2 )) OR { 1984} (( segid " " and resid 922 and name HE2 )) (( segid " " and resid 922 and name HD3 )) OR { 1984} (( segid " " and resid 1040 and name HE2 )) (( segid " " and resid 1040 and name HD2 )) OR { 1984} (( segid " " and resid 999 and name HE2 )) (( segid " " and resid 999 and name HD3 )) ASSI { 2595} ( segid " " and resid 1034 and name HD1%) (( segid " " and resid 1035 and name H )) 3.900 1.900 1.900 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.96733E-03 ppm1 0.823 ppm2 8.529 CV 1 OR { 2595} ( segid " " and resid 1034 and name HD1%) (( segid " " and resid 1037 and name H )) ASSI { 1425} (( segid " " and resid 950 and name HG2 )) (( segid " " and resid 953 and name H )) 3.100 1.200 1.200 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.14913E-02 ppm1 1.985 ppm2 7.923 CV 1 OR { 1425} (( segid " " and resid 936 and name HB3 )) (( segid " " and resid 937 and name H )) ASSI { 835} ( segid " " and resid 1030 and name HB% ) ( segid " " and resid 1027 and name HD1%) 2.500 0.800 0.800 peak 835 spectrum 1 weight 0.10000E+01 volume 0.82521E-02 ppm1 1.505 ppm2 0.931 CV 1 OR { 835} ( segid " " and resid 960 and name HB% ) ( segid " " and resid 963 and name HD1%) ASSI { 1434} (( segid " " and resid 974 and name HA )) (( segid " " and resid 975 and name H )) 2.900 1.100 1.100 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.22469E-02 ppm1 3.946 ppm2 7.733 CV 1 OR { 1434} (( segid " " and resid 1039 and name HA )) (( segid " " and resid 1042 and name H )) ASSI { 251} ( segid " " and resid 920 and name HB% ) ( segid " " and resid 921 and name HB% ) 3.900 1.900 1.900 peak 251 spectrum 1 weight 0.10000E+01 volume 0.69864E-03 ppm1 1.420 ppm2 1.176 CV 1 OR { 251} ( segid " " and resid 1006 and name HB% ) ( segid " " and resid 1010 and name HG2%) ASSI { 508} (( segid " " and resid 999 and name HB3 )) (( segid " " and resid 999 and name HG3 )) 2.600 0.900 0.900 peak 508 spectrum 1 weight 0.10000E+01 volume 0.38021E-02 ppm1 1.846 ppm2 1.494 CV 1 OR { 508} (( segid " " and resid 957 and name HB3 )) (( segid " " and resid 957 and name HG3 )) OR { 508} (( segid " " and resid 957 and name HB2 )) (( segid " " and resid 957 and name HG2 )) OR { 508} (( segid " " and resid 957 and name HB2 )) (( segid " " and resid 957 and name HG3 )) OR { 508} (( segid " " and resid 957 and name HB3 )) (( segid " " and resid 957 and name HG2 )) OR { 508} (( segid " " and resid 999 and name HB2 )) (( segid " " and resid 999 and name HG3 )) ASSI { 163} (( segid " " and resid 996 and name HG3 )) (( segid " " and resid 996 and name HD2 )) 2.800 1.000 1.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.31840E-02 ppm1 1.762 ppm2 4.057 CV 1 OR { 163} (( segid " " and resid 965 and name HG )) (( segid " " and resid 965 and name HA )) ASSI { 15} (( segid " " and resid 973 and name HA )) (( segid " " and resid 973 and name H )) 2.800 1.000 1.000 peak 15 spectrum 1 weight 0.10000E+01 volume 0.26802E-02 ppm1 4.001 ppm2 7.292 CV 1 OR { 15} (( segid " " and resid 1011 and name HA )) (( segid " " and resid 1011 and name H )) ASSI { 3085} (( segid " " and resid 940 and name HB2 )) (( segid " " and resid 940 and name HA )) 2.400 0.700 0.700 peak 3085 spectrum 1 weight 0.10000E+01 volume 0.77182E-02 ppm1 3.858 ppm2 4.362 CV 1 OR { 3085} (( segid " " and resid 945 and name HB3 )) (( segid " " and resid 945 and name HA )) OR { 3085} (( segid " " and resid 940 and name HB3 )) (( segid " " and resid 940 and name HA )) ASSI { 1160} (( segid " " and resid 991 and name HB2 )) ( segid " " and resid 988 and name HB% ) 3.300 1.400 1.400 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.10781E-02 ppm1 2.131 ppm2 1.429 CV 1 OR { 1160} (( segid " " and resid 991 and name HB2 )) (( segid " " and resid 994 and name HB2 )) ASSI { 2182} ( segid " " and resid 924 and name HB% ) (( segid " " and resid 924 and name H )) 2.100 0.500 0.500 peak 2182 spectrum 1 weight 0.10000E+01 volume 0.14030E-01 ppm1 1.274 ppm2 8.228 CV 1 OR { 2182} ( segid " " and resid 1004 and name HB% ) (( segid " " and resid 1005 and name H )) ASSI { 2616} ( segid " " and resid 960 and name HB% ) (( segid " " and resid 959 and name HB )) 3.400 1.400 1.400 peak 2616 spectrum 1 weight 0.10000E+01 volume 0.23578E-02 ppm1 1.497 ppm2 2.063 CV 1 OR { 2616} ( segid " " and resid 960 and name HB% ) (( segid " " and resid 961 and name HB2 )) ASSI { 1196} (( segid " " and resid 933 and name HA )) (( segid " " and resid 932 and name HB )) 3.400 1.500 1.500 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.11453E-02 ppm1 4.152 ppm2 1.858 CV 1 OR { 1196} (( segid " " and resid 958 and name HA )) (( segid " " and resid 957 and name HB3 )) OR { 1196} (( segid " " and resid 958 and name HA )) (( segid " " and resid 957 and name HB2 )) ASSI { 1338} (( segid " " and resid 932 and name HB )) (( segid " " and resid 932 and name HA )) 2.900 1.100 1.100 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.19749E-02 ppm1 1.836 ppm2 3.709 CV 1 OR { 1338} (( segid " " and resid 932 and name HB )) (( segid " " and resid 929 and name HA )) ASSI { 750} (( segid " " and resid 936 and name HA )) (( segid " " and resid 936 and name HG3 )) 2.700 0.900 0.900 peak 750 spectrum 1 weight 0.10000E+01 volume 0.58978E-02 ppm1 3.951 ppm2 2.347 CV 1 OR { 750} (( segid " " and resid 968 and name HA )) (( segid " " and resid 968 and name HG2 )) ASSI { 91} ( segid " " and resid 1008 and name HG1%) (( segid " " and resid 1011 and name HB )) 3.300 1.300 1.300 peak 91 spectrum 1 weight 0.10000E+01 volume 0.17667E-02 ppm1 0.886 ppm2 1.848 CV 1 OR { 91} ( segid " " and resid 953 and name HG1%) (( segid " " and resid 957 and name HB2 )) ASSI { 208} ( segid " " and resid 1001 and name HG2%) (( segid " " and resid 1005 and name HG3 )) 4.100 2.100 1.900 peak 208 spectrum 1 weight 0.10000E+01 volume 0.66838E-03 ppm1 1.017 ppm2 1.628 CV 1 OR { 208} ( segid " " and resid 1001 and name HG2%) ( segid " " and resid 928 and name HB% ) ASSI { 866} (( segid " " and resid 983 and name HB3 )) (( segid " " and resid 984 and name H )) 3.800 1.800 1.800 peak 866 spectrum 1 weight 0.10000E+01 volume 0.92362E-03 ppm1 1.984 ppm2 8.319 CV 1 OR { 866} (( segid " " and resid 991 and name HB3 )) (( segid " " and resid 992 and name H )) ASSI { 149} (( segid " " and resid 966 and name HA )) (( segid " " and resid 967 and name H )) 3.200 1.300 1.300 peak 149 spectrum 1 weight 0.10000E+01 volume 0.12494E-02 ppm1 3.890 ppm2 8.210 CV 1 OR { 149} (( segid " " and resid 952 and name HA )) (( segid " " and resid 954 and name H )) ASSI { 3439} (( segid " " and resid 964 and name HB2 )) ( segid " " and resid 965 and name HD2%) 3.600 1.600 1.600 peak 3439 spectrum 1 weight 0.10000E+01 volume 0.12864E-02 ppm1 1.737 ppm2 0.839 CV 1 OR { 3439} (( segid " " and resid 964 and name HB2 )) ( segid " " and resid 963 and name HG2%) ASSI { 1958} ( segid " " and resid 932 and name HG2%) (( segid " " and resid 932 and name HA )) 2.100 0.500 0.500 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.13862E-01 ppm1 0.848 ppm2 3.695 CV 1 OR { 1958} ( segid " " and resid 963 and name HG2%) (( segid " " and resid 963 and name HA )) ASSI { 1807} (( segid " " and resid 932 and name HG12)) ( segid " " and resid 932 and name HD1%) 2.400 0.700 0.700 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.49440E-02 ppm1 0.926 ppm2 0.841 CV 1 OR { 1807} (( segid " " and resid 963 and name HG12)) ( segid " " and resid 963 and name HG2%) OR { 1807} (( segid " " and resid 932 and name HG12)) ( segid " " and resid 932 and name HG2%) ASSI { 1506} (( segid " " and resid 987 and name HA )) (( segid " " and resid 989 and name H )) 3.600 1.600 1.600 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.78593E-03 ppm1 3.356 ppm2 8.259 CV 1 OR { 1506} (( segid " " and resid 987 and name HA )) (( segid " " and resid 991 and name H )) ASSI { 1492} (( segid " " and resid 954 and name HB2 )) (( segid " " and resid 954 and name H )) 2.300 0.700 0.700 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.79095E-02 ppm1 2.060 ppm2 8.189 CV 1 OR { 1492} (( segid " " and resid 954 and name HB2 )) (( segid " " and resid 955 and name H )) OR { 1492} (( segid " " and resid 954 and name HB3 )) (( segid " " and resid 954 and name H )) ASSI { 650} ( segid " " and resid 966 and name HD2%) ( segid " " and resid 1034 and name HD2%) 2.600 0.900 0.900 peak 650 spectrum 1 weight 0.10000E+01 volume 0.42353E-02 ppm1 0.490 ppm2 0.910 CV 1 OR { 650} ( segid " " and resid 966 and name HD2%) ( segid " " and resid 970 and name HG2%) ASSI { 3224} ( segid " " and resid 963 and name HD1%) (( segid " " and resid 962 and name H )) 4.300 2.300 1.700 peak 3224 spectrum 1 weight 0.10000E+01 volume 0.76243E-03 ppm1 0.935 ppm2 7.470 CV 1 OR { 3224} ( segid " " and resid 963 and name HD1%) (( segid " " and resid 961 and name H )) ASSI { 519} (( segid " " and resid 953 and name HB )) (( segid " " and resid 956 and name H )) 3.900 1.900 1.900 peak 519 spectrum 1 weight 0.10000E+01 volume 0.74228E-03 ppm1 2.070 ppm2 8.044 CV 1 OR { 519} (( segid " " and resid 959 and name HB )) (( segid " " and resid 956 and name H )) ASSI { 1327} (( segid " " and resid 964 and name HG2 )) (( segid " " and resid 964 and name HD3 )) 2.500 0.800 0.800 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.53303E-02 ppm1 1.984 ppm2 3.667 CV 1 OR { 1327} (( segid " " and resid 964 and name HG2 )) (( segid " " and resid 964 and name HD2 )) OR { 1327} (( segid " " and resid 950 and name HG2 )) (( segid " " and resid 950 and name HD3 )) ASSI { 31} (( segid " " and resid 950 and name HB2 )) (( segid " " and resid 950 and name HD3 )) 3.300 1.300 1.300 peak 31 spectrum 1 weight 0.10000E+01 volume 0.21260E-02 ppm1 2.275 ppm2 3.669 CV 1 OR { 31} (( segid " " and resid 964 and name HB3 )) (( segid " " and resid 964 and name HD3 )) OR { 31} (( segid " " and resid 964 and name HB3 )) (( segid " " and resid 964 and name HD2 )) ASSI { 2593} ( segid " " and resid 1011 and name HD1%) (( segid " " and resid 939 and name H )) 3.200 1.300 1.300 peak 2593 spectrum 1 weight 0.10000E+01 volume 0.55419E-03 ppm1 0.611 ppm2 7.808 CV 1 OR { 2593} ( segid " " and resid 1011 and name HD1%) (( segid " " and resid 938 and name H )) ASSI { 1386} (( segid " " and resid 968 and name HB3 )) (( segid " " and resid 968 and name HB2 )) 1.600 0.300 0.600 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.29933E-01 ppm1 2.005 ppm2 2.136 CV 1 OR { 1386} (( segid " " and resid 936 and name HB3 )) (( segid " " and resid 936 and name HB2 )) OR { 1386} (( segid " " and resid 991 and name HB3 )) (( segid " " and resid 991 and name HB2 )) OR { 1386} (( segid " " and resid 980 and name HG2 )) (( segid " " and resid 980 and name HG3 )) ASSI { 2203} (( segid " " and resid 974 and name HA )) (( segid " " and resid 975 and name HA )) 3.700 1.700 1.700 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.69188E-03 ppm1 3.968 ppm2 4.158 CV 1 OR { 2203} (( segid " " and resid 1034 and name HA )) (( segid " " and resid 1033 and name HA )) ASSI { 2361} (( segid " " and resid 1040 and name HG3 )) (( segid " " and resid 1040 and name HA )) 3.000 1.100 1.100 peak 2361 spectrum 1 weight 0.10000E+01 volume 0.27642E-02 ppm1 1.502 ppm2 3.959 CV 1 OR { 2361} (( segid " " and resid 1040 and name HG3 )) (( segid " " and resid 1037 and name HA )) ASSI { 2431} (( segid " " and resid 999 and name HG3 )) (( segid " " and resid 999 and name HB3 )) 2.600 0.800 0.800 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.48903E-02 ppm1 1.499 ppm2 1.819 CV 1 OR { 2431} (( segid " " and resid 999 and name HG3 )) (( segid " " and resid 999 and name HB2 )) OR { 2431} (( segid " " and resid 1040 and name HG3 )) (( segid " " and resid 1040 and name HB3 )) ASSI { 3353} ( segid " " and resid 970 and name HG1%) (( segid " " and resid 971 and name HA )) 2.800 1.000 1.000 peak 3353 spectrum 1 weight 0.10000E+01 volume 0.30598E-02 ppm1 0.727 ppm2 3.950 CV 1 OR { 3353} ( segid " " and resid 970 and name HG1%) (( segid " " and resid 973 and name HB3 )) ASSI { 1228} (( segid " " and resid 1001 and name HB )) (( segid " " and resid 998 and name HA2 )) 3.300 1.400 1.400 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.74228E-03 ppm1 2.180 ppm2 3.951 CV 1 OR { 1228} (( segid " " and resid 970 and name HB )) (( segid " " and resid 971 and name HA )) ASSI { 1954} (( segid " " and resid 1040 and name HA )) (( segid " " and resid 1040 and name HB3 )) 2.400 0.700 0.700 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.67508E-02 ppm1 3.954 ppm2 1.828 CV 1 OR { 1954} (( segid " " and resid 974 and name HA )) (( segid " " and resid 974 and name HB2 )) ASSI { 531} ( segid " " and resid 959 and name HG2%) ( segid " " and resid 1027 and name HD1%) 3.800 1.800 1.800 peak 531 spectrum 1 weight 0.10000E+01 volume 0.10546E-02 ppm1 0.751 ppm2 0.942 CV 1 OR { 531} ( segid " " and resid 959 and name HG2%) ( segid " " and resid 1031 and name HD2%) ASSI { 1865} (( segid " " and resid 1005 and name HB3 )) (( segid " " and resid 1005 and name HG2 )) 2.600 0.800 0.800 peak 1865 spectrum 1 weight 0.10000E+01 volume 0.36308E-02 ppm1 1.828 ppm2 1.360 CV 1 OR { 1865} (( segid " " and resid 943 and name HB2 )) (( segid " " and resid 943 and name HG2 )) OR { 1865} (( segid " " and resid 943 and name HB2 )) (( segid " " and resid 943 and name HG3 )) OR { 1865} (( segid " " and resid 1005 and name HB2 )) (( segid " " and resid 1005 and name HG2 )) ASSI { 2536} (( segid " " and resid 996 and name HG2 )) (( segid " " and resid 996 and name HD2 )) 2.400 0.700 0.700 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.34024E-02 ppm1 1.925 ppm2 4.059 CV 1 OR { 2536} (( segid " " and resid 996 and name HG2 )) (( segid " " and resid 993 and name HA )) ASSI { 3029} (( segid " " and resid 964 and name HB3 )) (( segid " " and resid 964 and name HG2 )) 2.500 0.800 0.800 peak 3029 spectrum 1 weight 0.10000E+01 volume 0.46954E-02 ppm1 2.270 ppm2 1.980 CV 1 OR { 3029} (( segid " " and resid 950 and name HB2 )) (( segid " " and resid 950 and name HG2 )) ASSI { 1505} (( segid " " and resid 999 and name HG2 )) (( segid " " and resid 999 and name HG3 )) 1.800 0.400 0.400 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.13697E-01 ppm1 1.330 ppm2 1.500 CV 1 OR { 1505} (( segid " " and resid 1025 and name HG2 )) (( segid " " and resid 1025 and name HG3 )) ASSI { 730} (( segid " " and resid 980 and name HB3 )) (( segid " " and resid 980 and name HB2 )) 1.900 0.400 0.400 peak 730 spectrum 1 weight 0.10000E+01 volume 0.13526E-01 ppm1 2.376 ppm2 1.940 CV 1 OR { 730} (( segid " " and resid 1009 and name HB3 )) (( segid " " and resid 1009 and name HG3 )) ASSI { 1183} (( segid " " and resid 922 and name HG2 )) (( segid " " and resid 922 and name HD3 )) 2.200 0.600 0.600 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.94479E-02 ppm1 1.327 ppm2 1.604 CV 1 OR { 1183} (( segid " " and resid 999 and name HG2 )) (( segid " " and resid 999 and name HD3 )) OR { 1183} (( segid " " and resid 1025 and name HG2 )) (( segid " " and resid 1025 and name HD3 )) OR { 1183} (( segid " " and resid 1025 and name HG2 )) (( segid " " and resid 1025 and name HD2 )) ASSI { 1003} (( segid " " and resid 955 and name HB2 )) (( segid " " and resid 955 and name HA )) 2.500 0.800 0.800 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.49877E-02 ppm1 3.784 ppm2 4.203 CV 1 OR { 1003} (( segid " " and resid 955 and name HB2 )) (( segid " " and resid 1000 and name HA )) OR { 1003} (( segid " " and resid 955 and name HB3 )) (( segid " " and resid 1000 and name HA )) OR { 1003} (( segid " " and resid 955 and name HB3 )) (( segid " " and resid 955 and name HA )) ASSI { 641} (( segid " " and resid 1002 and name HA )) (( segid " " and resid 1005 and name HD2 )) 3.400 1.400 1.400 peak 641 spectrum 1 weight 0.10000E+01 volume 0.10244E-02 ppm1 3.958 ppm2 1.567 CV 1 OR { 641} (( segid " " and resid 1002 and name HA )) (( segid " " and resid 1005 and name HD3 )) OR { 641} (( segid " " and resid 1037 and name HA )) (( segid " " and resid 1040 and name HG2 )) ASSI { 75} (( segid " " and resid 919 and name HB3 )) (( segid " " and resid 922 and name HB2 )) 4.000 2.000 2.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.67173E-03 ppm1 3.088 ppm2 1.843 CV 1 OR { 75} (( segid " " and resid 919 and name HB2 )) (( segid " " and resid 922 and name HB2 )) OR { 75} (( segid " " and resid 919 and name HB2 )) (( segid " " and resid 916 and name HB3 )) OR { 75} (( segid " " and resid 919 and name HB3 )) (( segid " " and resid 916 and name HB3 )) OR { 75} (( segid " " and resid 919 and name HB2 )) (( segid " " and resid 916 and name HB2 )) OR { 75} (( segid " " and resid 919 and name HB3 )) (( segid " " and resid 916 and name HB2 )) ASSI { 1786} (( segid " " and resid 926 and name HA )) ( segid " " and resid 926 and name HB% ) 1.900 0.500 0.500 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.24865E-01 ppm1 4.113 ppm2 1.434 CV 1 OR { 1786} (( segid " " and resid 1015 and name HA )) ( segid " " and resid 1015 and name HB% ) OR { 1786} (( segid " " and resid 933 and name HA )) ( segid " " and resid 933 and name HB% ) ASSI { 3383} ( segid " " and resid 1034 and name HD2%) (( segid " " and resid 990 and name H )) 3.100 1.200 1.200 peak 3383 spectrum 1 weight 0.10000E+01 volume 0.70868E-03 ppm1 0.894 ppm2 8.119 CV 1 OR { 3383} ( segid " " and resid 1034 and name HD2%) (( segid " " and resid 925 and name H )) ASSI { 1026} ( segid " " and resid 994 and name HD2%) (( segid " " and resid 997 and name H )) 4.200 2.200 1.800 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.59449E-03 ppm1 0.914 ppm2 7.831 CV 1 OR { 1026} ( segid " " and resid 994 and name HD2%) (( segid " " and resid 1033 and name H )) ASSI { 2128} (( segid " " and resid 1040 and name HA )) (( segid " " and resid 1040 and name HB2 )) 2.600 0.900 0.900 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.67042E-02 ppm1 3.972 ppm2 1.741 CV 1 OR { 2128} (( segid " " and resid 984 and name HA )) (( segid " " and resid 984 and name HG )) ASSI { 953} (( segid " " and resid 1017 and name HA )) (( segid " " and resid 1018 and name HA )) 3.700 1.700 1.700 peak 953 spectrum 1 weight 0.10000E+01 volume 0.71203E-03 ppm1 3.846 ppm2 4.205 CV 1 OR { 953} (( segid " " and resid 1017 and name HA )) (( segid " " and resid 1016 and name HA )) ASSI { 2462} (( segid " " and resid 922 and name HD2 )) (( segid " " and resid 922 and name HE2 )) 2.300 0.700 0.700 peak 2462 spectrum 1 weight 0.10000E+01 volume 0.77553E-02 ppm1 1.586 ppm2 2.823 CV 1 OR { 2462} (( segid " " and resid 922 and name HD3 )) (( segid " " and resid 922 and name HE3 )) OR { 2462} (( segid " " and resid 999 and name HD3 )) (( segid " " and resid 999 and name HE3 )) OR { 2462} (( segid " " and resid 922 and name HD2 )) (( segid " " and resid 922 and name HE3 )) OR { 2462} (( segid " " and resid 922 and name HD3 )) (( segid " " and resid 922 and name HE2 )) ASSI { 1433} ( segid " " and resid 1034 and name HD1%) (( segid " " and resid 922 and name H )) 3.200 1.300 1.300 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.11823E-02 ppm1 0.821 ppm2 8.122 CV 1 OR { 1433} ( segid " " and resid 1034 and name HD1%) (( segid " " and resid 990 and name H )) OR { 1433} ( segid " " and resid 917 and name HD2%) (( segid " " and resid 990 and name H )) ASSI { 2842} (( segid " " and resid 954 and name HG3 )) (( segid " " and resid 954 and name H )) 3.100 1.200 1.200 peak 2842 spectrum 1 weight 0.10000E+01 volume 0.38457E-02 ppm1 2.353 ppm2 8.194 CV 1 OR { 2842} (( segid " " and resid 968 and name HG3 )) (( segid " " and resid 968 and name H )) OR { 2842} (( segid " " and resid 968 and name HG2 )) (( segid " " and resid 968 and name H )) ASSI { 3022} (( segid " " and resid 1019 and name HA )) (( segid " " and resid 1022 and name H )) 3.000 1.100 1.100 peak 3022 spectrum 1 weight 0.10000E+01 volume 0.22234E-02 ppm1 4.151 ppm2 8.383 CV 1 OR { 3022} (( segid " " and resid 1019 and name HA )) (( segid " " and resid 1023 and name H )) OR { 3022} (( segid " " and resid 1019 and name HA )) (( segid " " and resid 1021 and name H )) ASSI { 781} (( segid " " and resid 922 and name HG3 )) (( segid " " and resid 922 and name HB2 )) 2.200 0.600 0.600 peak 781 spectrum 1 weight 0.10000E+01 volume 0.80674E-02 ppm1 1.632 ppm2 1.804 CV 1 OR { 781} (( segid " " and resid 1005 and name HG3 )) (( segid " " and resid 1005 and name HB2 )) OR { 781} (( segid " " and resid 922 and name HG3 )) (( segid " " and resid 922 and name HB3 )) OR { 781} (( segid " " and resid 1005 and name HG3 )) (( segid " " and resid 1005 and name HB3 )) ASSI { 2992} ( segid " " and resid 984 and name HD2%) (( segid " " and resid 980 and name HB2 )) 3.400 1.400 1.400 peak 2992 spectrum 1 weight 0.10000E+01 volume 0.95388E-03 ppm1 0.844 ppm2 1.951 CV 1 OR { 2992} ( segid " " and resid 984 and name HD2%) (( segid " " and resid 983 and name HB3 )) ASSI { 2692} (( segid " " and resid 1017 and name HA )) ( segid " " and resid 1008 and name HG1%) 2.900 1.100 1.100 peak 2692 spectrum 1 weight 0.10000E+01 volume 0.22671E-02 ppm1 3.816 ppm2 0.901 CV 1 OR { 2692} (( segid " " and resid 921 and name HA )) ( segid " " and resid 1034 and name HD2%) ASSI { 2158} (( segid " " and resid 949 and name HB3 )) (( segid " " and resid 949 and name HA )) 2.700 0.900 0.900 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.39331E-02 ppm1 1.923 ppm2 4.445 CV 1 OR { 2158} (( segid " " and resid 949 and name HB2 )) (( segid " " and resid 949 and name HA )) OR { 2158} (( segid " " and resid 1009 and name HG3 )) (( segid " " and resid 1009 and name HA )) ASSI { 1494} ( segid " " and resid 1027 and name HD1%) (( segid " " and resid 993 and name HZ )) 3.700 1.700 1.700 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.86987E-03 ppm1 0.941 ppm2 6.771 CV 1 OR { 1494} ( segid " " and resid 1031 and name HD2%) (( segid " " and resid 993 and name HZ )) ASSI { 880} (( segid " " and resid 923 and name HB2 )) (( segid " " and resid 923 and name HE22)) 3.300 1.400 1.400 peak 880 spectrum 1 weight 0.10000E+01 volume 0.11588E-02 ppm1 1.985 ppm2 6.856 CV 1 OR { 880} (( segid " " and resid 923 and name HB3 )) (( segid " " and resid 923 and name HE22)) OR { 880} (( segid " " and resid 964 and name HG2 )) (( segid " " and resid 965 and name H )) ASSI { 3204} (( segid " " and resid 968 and name HB3 )) ( segid " " and resid 965 and name HD2%) 3.300 1.400 1.400 peak 3204 spectrum 1 weight 0.10000E+01 volume 0.17398E-02 ppm1 1.990 ppm2 0.842 CV 1 OR { 3204} (( segid " " and resid 964 and name HG2 )) ( segid " " and resid 963 and name HG2%) ASSI { 3206} ( segid " " and resid 1020 and name HD1%) (( segid " " and resid 1008 and name HA )) 3.100 1.200 1.200 peak 3206 spectrum 1 weight 0.10000E+01 volume 0.15181E-02 ppm1 0.756 ppm2 3.640 CV 1 OR { 3206} ( segid " " and resid 1020 and name HD1%) (( segid " " and resid 1007 and name HB2 )) ASSI { 1894} ( segid " " and resid 1034 and name HD1%) (( segid " " and resid 917 and name HA )) 3.100 1.200 1.200 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.17096E-02 ppm1 0.785 ppm2 4.036 CV 1 OR { 1894} ( segid " " and resid 913 and name HD2%) (( segid " " and resid 1041 and name HA )) ASSI { 1448} ( segid " " and resid 952 and name HD1%) (( segid " " and resid 1004 and name HA )) 2.400 0.700 0.700 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.68453E-02 ppm1 0.831 ppm2 3.891 CV 1 OR { 1448} ( segid " " and resid 952 and name HD1%) (( segid " " and resid 1007 and name HB3 )) ASSI { 1114} ( segid " " and resid 960 and name HB% ) (( segid " " and resid 960 and name HA )) 1.900 0.500 0.500 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.22627E-01 ppm1 1.500 ppm2 3.929 CV 1 OR { 1114} ( segid " " and resid 960 and name HB% ) (( segid " " and resid 957 and name HA )) ASSI { 3408} ( segid " " and resid 908 and name HG2%) (( segid " " and resid 908 and name HB )) 2.100 0.600 0.600 peak 3408 spectrum 1 weight 0.10000E+01 volume 0.12666E-01 ppm1 0.799 ppm2 1.718 CV 1 OR { 3408} ( segid " " and resid 987 and name HG2%) (( segid " " and resid 987 and name HG12)) ASSI { 2139} (( segid " " and resid 1008 and name HA )) ( segid " " and resid 1017 and name HB% ) 2.900 1.100 1.100 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.19749E-02 ppm1 3.634 ppm2 1.494 CV 1 OR { 2139} (( segid " " and resid 1008 and name HA )) (( segid " " and resid 1011 and name HG13)) ASSI { 2249} (( segid " " and resid 1011 and name HB )) ( segid " " and resid 1011 and name HG2%) 2.600 0.800 0.800 peak 2249 spectrum 1 weight 0.10000E+01 volume 0.35972E-02 ppm1 1.845 ppm2 0.946 CV 1 OR { 2249} (( segid " " and resid 932 and name HB )) (( segid " " and resid 932 and name HG12)) ASSI { 620} ( segid " " and resid 1011 and name HG2%) (( segid " " and resid 1011 and name HA )) 2.300 0.700 0.700 peak 620 spectrum 1 weight 0.10000E+01 volume 0.78425E-02 ppm1 0.950 ppm2 3.960 CV 1 OR { 620} ( segid " " and resid 1011 and name HG2%) (( segid " " and resid 1016 and name HB2 )) ASSI { 1933} (( segid " " and resid 1040 and name HA )) (( segid " " and resid 1040 and name HG2 )) 2.200 0.600 0.600 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.80943E-02 ppm1 3.973 ppm2 1.566 CV 1 OR { 1933} (( segid " " and resid 984 and name HA )) (( segid " " and resid 984 and name HB3 )) ASSI { 3272} (( segid " " and resid 1016 and name HB3 )) ( segid " " and resid 1011 and name HG2%) 2.700 0.900 0.900 peak 3272 spectrum 1 weight 0.10000E+01 volume 0.27373E-02 ppm1 3.758 ppm2 0.932 CV 1 OR { 3272} (( segid " " and resid 927 and name HB3 )) ( segid " " and resid 1027 and name HD1%) ASSI { 3086} ( segid " " and resid 1034 and name HD1%) (( segid " " and resid 924 and name H )) 3.400 1.400 1.400 peak 3086 spectrum 1 weight 0.10000E+01 volume 0.93708E-03 ppm1 0.822 ppm2 8.235 CV 1 OR { 3086} ( segid " " and resid 1020 and name HD2%) (( segid " " and resid 1005 and name H )) ASSI { 2152} (( segid " " and resid 961 and name HB3 )) (( segid " " and resid 961 and name H )) 2.500 0.800 0.800 peak 2152 spectrum 1 weight 0.10000E+01 volume 0.61433E-02 ppm1 2.075 ppm2 7.466 CV 1 OR { 2152} (( segid " " and resid 961 and name HB2 )) (( segid " " and resid 961 and name H )) OR { 2152} (( segid " " and resid 962 and name HB3 )) (( segid " " and resid 962 and name H )) ASSI { 2410} (( segid " " and resid 965 and name HG )) (( segid " " and resid 965 and name HA )) 3.100 1.200 1.200 peak 2410 spectrum 1 weight 0.10000E+01 volume 0.18775E-02 ppm1 1.729 ppm2 4.039 CV 1 OR { 2410} (( segid " " and resid 996 and name HG3 )) (( segid " " and resid 993 and name HA )) ASSI { 1070} (( segid " " and resid 950 and name HA )) (( segid " " and resid 951 and name H )) 2.800 0.900 0.900 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.29456E-02 ppm1 4.244 ppm2 7.921 CV 1 OR { 1070} (( segid " " and resid 980 and name HA )) (( segid " " and resid 981 and name H )) ASSI { 3033} (( segid " " and resid 945 and name HB3 )) (( segid " " and resid 945 and name H )) 3.300 1.400 1.400 peak 3033 spectrum 1 weight 0.10000E+01 volume 0.10345E-02 ppm1 3.852 ppm2 8.058 CV 1 OR { 3033} (( segid " " and resid 979 and name HB3 )) (( segid " " and resid 982 and name H )) ASSI { 1623} (( segid " " and resid 1004 and name HA )) (( segid " " and resid 1004 and name H )) 2.700 0.900 0.900 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.33419E-02 ppm1 3.894 ppm2 8.790 CV 1 OR { 1623} (( segid " " and resid 935 and name HA )) (( segid " " and resid 935 and name H )) ASSI { 2667} (( segid " " and resid 966 and name HA )) (( segid " " and resid 966 and name H )) 2.600 0.900 0.900 peak 2667 spectrum 1 weight 0.10000E+01 volume 0.32815E-02 ppm1 3.892 ppm2 7.926 CV 1 OR { 2667} (( segid " " and resid 1020 and name HA )) (( segid " " and resid 1020 and name H )) ASSI { 2482} (( segid " " and resid 990 and name HB2 )) ( segid " " and resid 917 and name HD2%) 4.100 2.100 1.900 peak 2482 spectrum 1 weight 0.10000E+01 volume 0.72883E-03 ppm1 4.128 ppm2 0.877 CV 1 OR { 2482} (( segid " " and resid 990 and name HB2 )) ( segid " " and resid 1034 and name HD2%) ASSI { 2167} (( segid " " and resid 1022 and name HG2 )) (( segid " " and resid 1022 and name HA )) 2.500 0.800 0.800 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.67879E-02 ppm1 2.401 ppm2 3.985 CV 1 OR { 2167} (( segid " " and resid 1012 and name HG3 )) (( segid " " and resid 1012 and name HA )) OR { 2167} (( segid " " and resid 1022 and name HG3 )) (( segid " " and resid 1022 and name HA )) ASSI { 354} (( segid " " and resid 1040 and name HB3 )) (( segid " " and resid 1040 and name H )) 3.500 1.500 1.500 peak 354 spectrum 1 weight 0.10000E+01 volume 0.22805E-02 ppm1 1.825 ppm2 8.323 CV 1 OR { 354} (( segid " " and resid 942 and name HB3 )) (( segid " " and resid 943 and name H )) ASSI { 11} ( segid " " and resid 1000 and name HE% ) ( segid " " and resid 931 and name HG2%) 2.100 0.500 0.500 peak 11 spectrum 1 weight 0.10000E+01 volume 0.17455E-01 ppm1 1.974 ppm2 0.952 CV 1 OR { 11} ( segid " " and resid 1000 and name HE% ) (( segid " " and resid 932 and name HG12)) ASSI { 679} ( segid " " and resid 928 and name HB% ) (( segid " " and resid 930 and name H )) 3.600 1.600 1.600 peak 679 spectrum 1 weight 0.10000E+01 volume 0.11991E-02 ppm1 1.649 ppm2 7.902 CV 1 OR { 679} ( segid " " and resid 928 and name HB% ) (( segid " " and resid 926 and name H )) ASSI { 3175} (( segid " " and resid 955 and name HA )) ( segid " " and resid 958 and name HB% ) 2.800 1.000 1.000 peak 3175 spectrum 1 weight 0.10000E+01 volume 0.31370E-02 ppm1 4.199 ppm2 1.441 CV 1 OR { 3175} (( segid " " and resid 927 and name HA )) ( segid " " and resid 926 and name HB% ) ASSI { 2157} (( segid " " and resid 992 and name HB3 )) (( segid " " and resid 993 and name H )) 2.900 1.000 1.000 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.22134E-02 ppm1 3.968 ppm2 7.674 CV 1 OR { 2157} (( segid " " and resid 990 and name HA )) (( segid " " and resid 993 and name H )) ASSI { 1221} (( segid " " and resid 1023 and name HB3 )) (( segid " " and resid 1020 and name HA )) 3.900 1.900 1.900 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.89678E-03 ppm1 2.792 ppm2 3.922 CV 1 OR { 1221} (( segid " " and resid 1023 and name HB3 )) (( segid " " and resid 1024 and name HA )) ASSI { 2266} (( segid " " and resid 934 and name HA )) ( segid " " and resid 934 and name HB% ) 2.000 0.500 0.500 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.16374E-01 ppm1 4.149 ppm2 1.512 CV 1 OR { 2266} (( segid " " and resid 1030 and name HA )) ( segid " " and resid 1030 and name HB% ) ASSI { 822} (( segid " " and resid 988 and name HA )) ( segid " " and resid 988 and name HB% ) 2.000 0.500 0.500 peak 822 spectrum 1 weight 0.10000E+01 volume 0.18950E-01 ppm1 4.147 ppm2 1.439 CV 1 OR { 822} (( segid " " and resid 1015 and name HA )) ( segid " " and resid 1015 and name HB% ) OR { 822} (( segid " " and resid 933 and name HA )) ( segid " " and resid 933 and name HB% ) ASSI { 112} (( segid " " and resid 1031 and name HG )) ( segid " " and resid 1031 and name HD2%) 2.700 0.900 0.900 peak 112 spectrum 1 weight 0.10000E+01 volume 0.22873E-02 ppm1 2.014 ppm2 0.937 CV 1 OR { 112} (( segid " " and resid 1031 and name HG )) ( segid " " and resid 1027 and name HD1%) ASSI { 3523} (( segid " " and resid 984 and name HA )) (( segid " " and resid 984 and name H )) 2.300 0.700 0.700 peak 3523 spectrum 1 weight 0.10000E+01 volume 0.72279E-02 ppm1 3.972 ppm2 8.318 CV 1 OR { 3523} (( segid " " and resid 1040 and name HA )) (( segid " " and resid 1040 and name H )) ASSI { 1298} (( segid " " and resid 960 and name HA )) (( segid " " and resid 964 and name HD2 )) 4.000 2.000 2.000 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.83298E-03 ppm1 3.929 ppm2 3.680 CV 1 OR { 1298} (( segid " " and resid 960 and name HA )) (( segid " " and resid 963 and name HA )) ASSI { 3533} (( segid " " and resid 978 and name HB2 )) (( segid " " and resid 978 and name H )) 2.800 1.000 1.000 peak 3533 spectrum 1 weight 0.10000E+01 volume 0.30900E-02 ppm1 2.689 ppm2 8.359 CV 1 OR { 3533} (( segid " " and resid 909 and name HB2 )) (( segid " " and resid 909 and name H )) ASSI { 1637} ( segid " " and resid 938 and name HB% ) ( segid " " and resid 1020 and name HD1%) 2.600 0.900 0.900 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.48903E-02 ppm1 1.361 ppm2 0.751 CV 1 OR { 1637} ( segid " " and resid 935 and name HB% ) ( segid " " and resid 1020 and name HD1%) ASSI { 363} (( segid " " and resid 1042 and name HB2 )) (( segid " " and resid 1042 and name HG2 )) 2.700 0.900 0.900 peak 363 spectrum 1 weight 0.10000E+01 volume 0.49742E-02 ppm1 2.081 ppm2 2.424 CV 1 OR { 363} (( segid " " and resid 961 and name HB3 )) (( segid " " and resid 961 and name HG2 )) OR { 363} (( segid " " and resid 961 and name HB2 )) (( segid " " and resid 961 and name HG2 )) OR { 363} (( segid " " and resid 1043 and name HB3 )) (( segid " " and resid 1043 and name HG3 )) ASSI { 1206} (( segid " " and resid 952 and name HG )) (( segid " " and resid 952 and name HA )) 3.200 1.300 1.300 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.12058E-02 ppm1 1.401 ppm2 3.903 CV 1 OR { 1206} (( segid " " and resid 1020 and name HG )) (( segid " " and resid 935 and name HA )) ASSI { 1407} (( segid " " and resid 1038 and name HA )) ( segid " " and resid 1038 and name HB% ) 2.000 0.500 0.500 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.17976E-01 ppm1 3.989 ppm2 1.404 CV 1 OR { 1407} (( segid " " and resid 1002 and name HA )) ( segid " " and resid 1002 and name HB% ) ASSI { 1253} (( segid " " and resid 913 and name HA )) (( segid " " and resid 913 and name HB3 )) 2.500 0.800 0.800 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.43193E-02 ppm1 3.936 ppm2 1.240 CV 1 OR { 1253} (( segid " " and resid 1020 and name HA )) (( segid " " and resid 1020 and name HB2 )) OR { 1253} (( segid " " and resid 1034 and name HA )) (( segid " " and resid 1034 and name HB3 )) ASSI { 216} ( segid " " and resid 1004 and name HB% ) ( segid " " and resid 1000 and name HE% ) 3.000 1.200 1.200 peak 216 spectrum 1 weight 0.10000E+01 volume 0.29120E-02 ppm1 1.276 ppm2 1.972 CV 1 OR { 216} ( segid " " and resid 924 and name HB% ) (( segid " " and resid 923 and name HB2 )) ASSI { 3147} ( segid " " and resid 994 and name HD2%) (( segid " " and resid 1035 and name HB3 )) 3.400 1.400 1.400 peak 3147 spectrum 1 weight 0.10000E+01 volume 0.43361E-02 ppm1 0.919 ppm2 2.025 CV 1 OR { 3147} ( segid " " and resid 994 and name HD2%) (( segid " " and resid 1031 and name HB2 )) ASSI { 2339} ( segid " " and resid 994 and name HD2%) (( segid " " and resid 1032 and name H )) 4.300 2.300 1.700 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.62809E-03 ppm1 0.919 ppm2 7.693 CV 1 OR { 2339} ( segid " " and resid 1031 and name HD2%) (( segid " " and resid 1032 and name H )) ASSI { 2564} (( segid " " and resid 991 and name HG3 )) ( segid " " and resid 994 and name HD1%) 3.800 1.800 1.800 peak 2564 spectrum 1 weight 0.10000E+01 volume 0.11655E-02 ppm1 2.485 ppm2 0.937 CV 1 OR { 2564} (( segid " " and resid 962 and name HG2 )) ( segid " " and resid 965 and name HD1%) ASSI { 1830} ( segid " " and resid 1038 and name HB% ) (( segid " " and resid 987 and name HA )) 2.800 1.000 1.000 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.28885E-02 ppm1 1.397 ppm2 3.384 CV 1 OR { 1830} ( segid " " and resid 1038 and name HB% ) (( segid " " and resid 990 and name HB3 )) ASSI { 1516} ( segid " " and resid 959 and name HG2%) (( segid " " and resid 996 and name HD2 )) 3.700 1.700 1.700 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.10613E-02 ppm1 0.749 ppm2 4.050 CV 1 OR { 1516} ( segid " " and resid 959 and name HG2%) (( segid " " and resid 993 and name HA )) OR { 1516} ( segid " " and resid 959 and name HG2%) (( segid " " and resid 928 and name HA )) ASSI { 741} (( segid " " and resid 1026 and name HA )) (( segid " " and resid 1025 and name HG3 )) 3.800 1.800 1.800 peak 741 spectrum 1 weight 0.10000E+01 volume 0.57769E-03 ppm1 4.410 ppm2 1.510 CV 1 OR { 741} (( segid " " and resid 1026 and name HA )) ( segid " " and resid 1030 and name HB% ) ASSI { 2726} (( segid " " and resid 963 and name HB )) (( segid " " and resid 964 and name HD2 )) 2.800 1.000 1.000 peak 2726 spectrum 1 weight 0.10000E+01 volume 0.38189E-02 ppm1 1.989 ppm2 3.674 CV 1 OR { 2726} (( segid " " and resid 963 and name HB )) (( segid " " and resid 963 and name HA )) ASSI { 969} (( segid " " and resid 960 and name HA )) (( segid " " and resid 963 and name H )) 3.000 1.100 1.100 peak 969 spectrum 1 weight 0.10000E+01 volume 0.20388E-02 ppm1 3.924 ppm2 7.931 CV 1 OR { 969} (( segid " " and resid 935 and name HA )) (( segid " " and resid 937 and name H )) ASSI { 2492} (( segid " " and resid 1019 and name HG2 )) (( segid " " and resid 1020 and name H )) 3.000 1.100 1.100 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.49742E-02 ppm1 2.365 ppm2 7.930 CV 1 OR { 2492} (( segid " " and resid 1019 and name HG2 )) (( segid " " and resid 1019 and name H )) OR { 2492} (( segid " " and resid 1019 and name HG3 )) (( segid " " and resid 1019 and name H )) ASSI { 2953} ( segid " " and resid 920 and name HB% ) (( segid " " and resid 1033 and name HB3 )) 3.200 1.300 1.300 peak 2953 spectrum 1 weight 0.10000E+01 volume 0.33016E-02 ppm1 1.419 ppm2 1.953 CV 1 OR { 2953} ( segid " " and resid 926 and name HB% ) (( segid " " and resid 923 and name HB2 )) OR { 2953} ( segid " " and resid 920 and name HB% ) (( segid " " and resid 923 and name HB3 )) ASSI { 2405} (( segid " " and resid 968 and name HA )) (( segid " " and resid 968 and name HG3 )) 2.700 0.900 0.900 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.38928E-02 ppm1 3.993 ppm2 2.402 CV 1 OR { 2405} (( segid " " and resid 1022 and name HA )) (( segid " " and resid 1022 and name HG2 )) OR { 2405} (( segid " " and resid 1014 and name HA )) (( segid " " and resid 1014 and name HG2 )) OR { 2405} (( segid " " and resid 1022 and name HA )) (( segid " " and resid 1022 and name HG3 )) ASSI { 474} ( segid " " and resid 952 and name HD1%) (( segid " " and resid 1004 and name H )) 3.900 1.900 1.900 peak 474 spectrum 1 weight 0.10000E+01 volume 0.11184E-02 ppm1 0.832 ppm2 8.801 CV 1 OR { 474} ( segid " " and resid 952 and name HD1%) (( segid " " and resid 935 and name H )) ASSI { 2821} ( segid " " and resid 1024 and name HB% ) (( segid " " and resid 1021 and name HA )) 2.600 0.800 0.800 peak 2821 spectrum 1 weight 0.10000E+01 volume 0.39935E-02 ppm1 1.456 ppm2 3.853 CV 1 OR { 2821} ( segid " " and resid 982 and name HB% ) (( segid " " and resid 979 and name HB3 )) ASSI { 1702} ( segid " " and resid 1003 and name HB% ) (( segid " " and resid 1000 and name HG3 )) 2.900 1.100 1.100 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.21428E-02 ppm1 1.317 ppm2 2.172 CV 1 OR { 1702} ( segid " " and resid 1037 and name HB% ) (( segid " " and resid 917 and name HB2 )) OR { 1702} ( segid " " and resid 1041 and name HB% ) (( segid " " and resid 917 and name HB2 )) ASSI { 3349} (( segid " " and resid 927 and name HA )) (( segid " " and resid 930 and name HB2 )) 2.500 0.800 0.800 peak 3349 spectrum 1 weight 0.10000E+01 volume 0.45477E-02 ppm1 4.211 ppm2 2.176 CV 1 OR { 3349} (( segid " " and resid 1016 and name HA )) (( segid " " and resid 1019 and name HB2 )) ASSI { 1055} (( segid " " and resid 932 and name HA )) (( segid " " and resid 931 and name HB )) 3.700 1.700 1.700 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.71203E-03 ppm1 3.693 ppm2 4.239 CV 1 OR { 1055} (( segid " " and resid 932 and name HA )) (( segid " " and resid 956 and name HA )) ASSI { 2489} (( segid " " and resid 973 and name HB3 )) ( segid " " and resid 982 and name HB% ) 3.900 1.900 1.900 peak 2489 spectrum 1 weight 0.10000E+01 volume 0.84303E-03 ppm1 3.961 ppm2 1.447 CV 1 OR { 2489} (( segid " " and resid 990 and name HA )) (( segid " " and resid 1034 and name HG )) ASSI { 668} (( segid " " and resid 935 and name HA )) (( segid " " and resid 938 and name H )) 3.200 1.200 1.200 peak 668 spectrum 1 weight 0.10000E+01 volume 0.13838E-02 ppm1 3.894 ppm2 7.809 CV 1 OR { 668} (( segid " " and resid 935 and name HA )) (( segid " " and resid 939 and name H )) ASSI { 1610} (( segid " " and resid 1032 and name HA )) (( segid " " and resid 1035 and name HB2 )) 3.100 1.200 1.200 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.25123E-02 ppm1 4.146 ppm2 1.957 CV 1 OR { 1610} (( segid " " and resid 1030 and name HA )) (( segid " " and resid 1033 and name HB3 )) ASSI { 1709} (( segid " " and resid 991 and name HB2 )) (( segid " " and resid 991 and name H )) 2.800 1.000 1.000 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.18742E-02 ppm1 2.095 ppm2 8.245 CV 1 OR { 1709} (( segid " " and resid 915 and name HB2 )) (( segid " " and resid 912 and name H )) ASSI { 581} ( segid " " and resid 913 and name HD2%) (( segid " " and resid 913 and name HA )) 2.200 0.600 0.600 peak 581 spectrum 1 weight 0.10000E+01 volume 0.10116E-01 ppm1 0.784 ppm2 3.939 CV 1 OR { 581} ( segid " " and resid 1020 and name HD2%) (( segid " " and resid 1020 and name HA )) OR { 581} ( segid " " and resid 1034 and name HD1%) (( segid " " and resid 1034 and name HA )) ASSI { 3189} (( segid " " and resid 962 and name HG2 )) ( segid " " and resid 958 and name HB% ) 3.700 1.700 1.700 peak 3189 spectrum 1 weight 0.10000E+01 volume 0.79938E-03 ppm1 2.451 ppm2 1.430 CV 1 OR { 3189} (( segid " " and resid 962 and name HG2 )) (( segid " " and resid 996 and name HB3 )) OR { 3189} (( segid " " and resid 1014 and name HG3 )) ( segid " " and resid 1015 and name HB% ) ASSI { 1596} (( segid " " and resid 962 and name HA )) (( segid " " and resid 961 and name HA )) 3.900 1.900 1.900 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.67173E-03 ppm1 4.366 ppm2 4.055 CV 1 OR { 1596} (( segid " " and resid 962 and name HA )) (( segid " " and resid 965 and name HA )) ASSI { 299} (( segid " " and resid 1013 and name HA )) (( segid " " and resid 1014 and name HA )) 3.600 1.600 1.600 peak 299 spectrum 1 weight 0.10000E+01 volume 0.12360E-02 ppm1 4.628 ppm2 3.956 CV 1 OR { 299} (( segid " " and resid 1013 and name HA )) (( segid " " and resid 1012 and name HA )) ASSI { 2293} ( segid " " and resid 913 and name HD1%) (( segid " " and resid 913 and name HA )) 3.500 1.600 1.600 peak 2293 spectrum 1 weight 0.10000E+01 volume 0.33285E-02 ppm1 0.865 ppm2 3.951 CV 1 OR { 2293} ( segid " " and resid 913 and name HD1%) (( segid " " and resid 1044 and name HA )) ASSI { 2137} (( segid " " and resid 1025 and name HD3 )) (( segid " " and resid 1025 and name HG3 )) 2.400 0.700 0.700 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.62205E-02 ppm1 1.616 ppm2 1.503 CV 1 OR { 2137} (( segid " " and resid 1025 and name HD2 )) (( segid " " and resid 1025 and name HG3 )) OR { 2137} (( segid " " and resid 957 and name HD3 )) (( segid " " and resid 957 and name HG3 )) OR { 2137} (( segid " " and resid 957 and name HD2 )) (( segid " " and resid 957 and name HG2 )) OR { 2137} (( segid " " and resid 957 and name HD2 )) (( segid " " and resid 957 and name HG3 )) ASSI { 1560} ( segid " " and resid 1037 and name HB% ) (( segid " " and resid 1039 and name H )) 3.900 1.900 1.900 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.95722E-03 ppm1 1.313 ppm2 7.844 CV 1 OR { 1560} ( segid " " and resid 1041 and name HB% ) (( segid " " and resid 1039 and name H )) ASSI { 3115} (( segid " " and resid 1040 and name HB3 )) ( segid " " and resid 913 and name HD1%) 3.300 1.400 1.400 peak 3115 spectrum 1 weight 0.10000E+01 volume 0.95722E-03 ppm1 1.836 ppm2 0.870 CV 1 OR { 3115} (( segid " " and resid 957 and name HB2 )) ( segid " " and resid 953 and name HG1%) ASSI { 1406} (( segid " " and resid 952 and name HG )) (( segid " " and resid 952 and name HA )) 3.200 1.300 1.300 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.11722E-02 ppm1 1.371 ppm2 3.919 CV 1 OR { 1406} (( segid " " and resid 1020 and name HG )) (( segid " " and resid 1020 and name HA )) ASSI { 918} ( segid " " and resid 926 and name HB% ) (( segid " " and resid 923 and name HA )) 1.900 0.400 0.400 peak 918 spectrum 1 weight 0.10000E+01 volume 0.26443E-01 ppm1 1.416 ppm2 4.051 CV 1 OR { 918} ( segid " " and resid 920 and name HB% ) (( segid " " and resid 917 and name HA )) ASSI { 462} (( segid " " and resid 1033 and name HB3 )) (( segid " " and resid 1033 and name HB2 )) 1.800 0.400 0.400 peak 462 spectrum 1 weight 0.10000E+01 volume 0.12504E-01 ppm1 1.928 ppm2 2.083 CV 1 OR { 462} (( segid " " and resid 1012 and name HB2 )) (( segid " " and resid 1012 and name HB3 )) ASSI { 1747} (( segid " " and resid 942 and name HD3 )) (( segid " " and resid 942 and name HG2 )) 2.400 0.700 0.700 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.57668E-02 ppm1 3.561 ppm2 1.983 CV 1 OR { 1747} (( segid " " and resid 950 and name HD2 )) (( segid " " and resid 950 and name HG2 )) ASSI { 1535} (( segid " " and resid 1016 and name HB2 )) (( segid " " and resid 1016 and name HA )) 2.400 0.700 0.700 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.10271E-01 ppm1 3.968 ppm2 4.197 CV 1 OR { 1535} (( segid " " and resid 992 and name HB3 )) (( segid " " and resid 992 and name HA )) ASSI { 2088} (( segid " " and resid 1012 and name HG2 )) (( segid " " and resid 1012 and name HE22)) 3.100 1.200 1.200 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.17029E-02 ppm1 2.340 ppm2 7.407 CV 1 OR { 2088} (( segid " " and resid 1012 and name HG3 )) (( segid " " and resid 1012 and name HE22)) OR { 2088} (( segid " " and resid 1042 and name HG3 )) (( segid " " and resid 1042 and name HE21)) ASSI { 2629} ( segid " " and resid 966 and name HD2%) (( segid " " and resid 989 and name H )) 3.700 1.700 1.700 peak 2629 spectrum 1 weight 0.10000E+01 volume 0.13569E-02 ppm1 0.490 ppm2 8.244 CV 1 OR { 2629} ( segid " " and resid 966 and name HD2%) (( segid " " and resid 991 and name H )) ASSI { 157} ( segid " " and resid 994 and name HD2%) (( segid " " and resid 1035 and name HD3 )) 3.800 1.800 1.800 peak 157 spectrum 1 weight 0.10000E+01 volume 0.94042E-03 ppm1 0.918 ppm2 3.206 CV 1 OR { 157} ( segid " " and resid 994 and name HD2%) (( segid " " and resid 997 and name HA3 )) ASSI { 205} ( segid " " and resid 1011 and name HD1%) (( segid " " and resid 1016 and name HB2 )) 3.200 1.300 1.300 peak 205 spectrum 1 weight 0.10000E+01 volume 0.28818E-02 ppm1 0.609 ppm2 3.962 CV 1 OR { 205} ( segid " " and resid 1011 and name HD1%) (( segid " " and resid 1011 and name HA )) ASSI { 478} ( segid " " and resid 1031 and name HD2%) (( segid " " and resid 998 and name H )) 3.400 1.400 1.400 peak 478 spectrum 1 weight 0.10000E+01 volume 0.19782E-02 ppm1 0.942 ppm2 8.273 CV 1 OR { 478} ( segid " " and resid 1027 and name HD1%) (( segid " " and resid 1030 and name H )) ASSI { 1048} (( segid " " and resid 950 and name HD3 )) (( segid " " and resid 950 and name HG3 )) 2.300 0.700 0.700 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.56123E-02 ppm1 3.661 ppm2 1.926 CV 1 OR { 1048} (( segid " " and resid 964 and name HD2 )) (( segid " " and resid 964 and name HG3 )) OR { 1048} (( segid " " and resid 964 and name HD3 )) (( segid " " and resid 964 and name HG3 )) ASSI { 2005} (( segid " " and resid 961 and name HG3 )) (( segid " " and resid 961 and name HB3 )) 2.100 0.600 0.600 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.11584E-01 ppm1 2.258 ppm2 2.071 CV 1 OR { 2005} (( segid " " and resid 1043 and name HG2 )) (( segid " " and resid 1043 and name HB3 )) OR { 2005} (( segid " " and resid 961 and name HG3 )) (( segid " " and resid 961 and name HB2 )) ASSI { 1585} (( segid " " and resid 1022 and name HA )) (( segid " " and resid 1025 and name HD3 )) 3.800 1.800 1.800 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.15047E-02 ppm1 3.994 ppm2 1.613 CV 1 OR { 1585} (( segid " " and resid 991 and name HA )) (( segid " " and resid 1035 and name HG3 )) ASSI { 1254} (( segid " " and resid 952 and name HB2 )) (( segid " " and resid 953 and name H )) 3.700 1.700 1.700 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.69188E-03 ppm1 1.999 ppm2 7.925 CV 1 OR { 1254} (( segid " " and resid 952 and name HB2 )) (( segid " " and resid 951 and name H )) ASSI { 2446} (( segid " " and resid 950 and name HB3 )) (( segid " " and resid 950 and name HG2 )) 2.900 1.000 1.000 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.47660E-02 ppm1 1.852 ppm2 1.988 CV 1 OR { 2446} (( segid " " and resid 942 and name HB3 )) (( segid " " and resid 942 and name HG2 )) ASSI { 3284} (( segid " " and resid 948 and name HB2 )) (( segid " " and resid 948 and name HD2 )) 3.500 1.500 1.500 peak 3284 spectrum 1 weight 0.10000E+01 volume 0.16928E-02 ppm1 2.161 ppm2 3.644 CV 1 OR { 3284} (( segid " " and resid 1001 and name HB )) (( segid " " and resid 998 and name HA3 )) ASSI { 224} (( segid " " and resid 965 and name HB2 )) (( segid " " and resid 966 and name H )) 3.000 1.100 1.100 peak 224 spectrum 1 weight 0.10000E+01 volume 0.18104E-02 ppm1 1.535 ppm2 7.921 CV 1 OR { 224} (( segid " " and resid 951 and name HB3 )) (( segid " " and resid 951 and name H )) ASSI { 3333} ( segid " " and resid 994 and name HD2%) (( segid " " and resid 1031 and name HB3 )) 2.100 0.500 0.500 peak 3333 spectrum 1 weight 0.10000E+01 volume 0.10375E-01 ppm1 0.918 ppm2 1.456 CV 1 OR { 3333} ( segid " " and resid 994 and name HD2%) (( segid " " and resid 994 and name HB2 )) ASSI { 2399} (( segid " " and resid 1017 and name HA )) ( segid " " and resid 1017 and name HB% ) 2.100 0.600 0.600 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.12256E-01 ppm1 3.847 ppm2 1.496 CV 1 OR { 2399} (( segid " " and resid 924 and name HA )) ( segid " " and resid 1030 and name HB% ) ASSI { 3268} ( segid " " and resid 1031 and name HD2%) (( segid " " and resid 1031 and name HA )) 2.100 0.500 0.500 peak 3268 spectrum 1 weight 0.10000E+01 volume 0.11366E-01 ppm1 0.943 ppm2 4.043 CV 1 OR { 3268} ( segid " " and resid 1027 and name HD1%) (( segid " " and resid 928 and name HA )) ASSI { 365} ( segid " " and resid 1034 and name HD1%) (( segid " " and resid 1034 and name HA )) 2.100 0.600 0.600 peak 365 spectrum 1 weight 0.10000E+01 volume 0.11362E-01 ppm1 0.842 ppm2 3.977 CV 1 OR { 365} ( segid " " and resid 984 and name HD1%) (( segid " " and resid 984 and name HA )) ASSI { 2052} ( segid " " and resid 967 and name HG2%) (( segid " " and resid 964 and name HA )) 2.700 0.900 0.900 peak 2052 spectrum 1 weight 0.10000E+01 volume 0.56796E-02 ppm1 0.846 ppm2 4.239 CV 1 OR { 2052} ( segid " " and resid 959 and name HG1%) (( segid " " and resid 956 and name HA )) ASSI { 3427} ( segid " " and resid 917 and name HD2%) (( segid " " and resid 1038 and name H )) 3.700 1.700 1.700 peak 3427 spectrum 1 weight 0.10000E+01 volume 0.92697E-03 ppm1 0.820 ppm2 8.727 CV 1 OR { 3427} ( segid " " and resid 917 and name HD2%) (( segid " " and resid 918 and name H )) ASSI { 2306} (( segid " " and resid 1001 and name HB )) (( segid " " and resid 1001 and name H )) 2.500 0.800 0.800 peak 2306 spectrum 1 weight 0.10000E+01 volume 0.38760E-02 ppm1 2.158 ppm2 7.923 CV 1 OR { 2306} (( segid " " and resid 1018 and name HB2 )) (( segid " " and resid 1019 and name H )) ASSI { 2730} (( segid " " and resid 1007 and name HB3 )) (( segid " " and resid 1007 and name H )) 3.000 1.100 1.100 peak 2730 spectrum 1 weight 0.10000E+01 volume 0.24451E-02 ppm1 3.895 ppm2 7.634 CV 1 OR { 2730} (( segid " " and resid 940 and name HB3 )) (( segid " " and resid 940 and name H )) ASSI { 328} (( segid " " and resid 948 and name HB3 )) (( segid " " and resid 948 and name HD3 )) 3.000 1.100 1.100 peak 328 spectrum 1 weight 0.10000E+01 volume 0.26601E-02 ppm1 1.858 ppm2 3.555 CV 1 OR { 328} (( segid " " and resid 942 and name HB3 )) (( segid " " and resid 942 and name HD3 )) ASSI { 1377} (( segid " " and resid 918 and name HG3 )) ( segid " " and resid 914 and name HG1%) 4.000 2.000 2.000 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.67508E-03 ppm1 2.438 ppm2 0.911 CV 1 OR { 1377} (( segid " " and resid 918 and name HG3 )) ( segid " " and resid 970 and name HG2%) ASSI { 1131} (( segid " " and resid 1033 and name HB2 )) (( segid " " and resid 1033 and name HG2 )) 2.300 0.700 0.700 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.78025E-02 ppm1 2.079 ppm2 2.348 CV 1 OR { 1131} (( segid " " and resid 1012 and name HB3 )) (( segid " " and resid 1012 and name HG2 )) OR { 1131} (( segid " " and resid 1033 and name HB2 )) (( segid " " and resid 1033 and name HG3 )) ASSI { 1573} (( segid " " and resid 1033 and name HG2 )) ( segid " " and resid 1029 and name HG2%) 3.100 1.200 1.200 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.26836E-02 ppm1 2.345 ppm2 1.235 CV 1 OR { 1573} (( segid " " and resid 1033 and name HG3 )) (( segid " " and resid 1034 and name HB3 )) OR { 1573} (( segid " " and resid 1033 and name HG2 )) (( segid " " and resid 1034 and name HB3 )) ASSI { 576} (( segid " " and resid 985 and name HA )) ( segid " " and resid 985 and name HB% ) 2.100 0.600 0.600 peak 576 spectrum 1 weight 0.10000E+01 volume 0.13747E-01 ppm1 4.182 ppm2 1.463 CV 1 OR { 576} (( segid " " and resid 958 and name HA )) ( segid " " and resid 958 and name HB% ) ASSI { 1886} (( segid " " and resid 1009 and name HD2 )) (( segid " " and resid 1009 and name HG2 )) 2.100 0.600 0.600 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.10892E-01 ppm1 3.569 ppm2 1.926 CV 1 OR { 1886} (( segid " " and resid 1009 and name HD3 )) (( segid " " and resid 1009 and name HG3 )) OR { 1886} (( segid " " and resid 1009 and name HD2 )) (( segid " " and resid 1009 and name HG3 )) OR { 1886} (( segid " " and resid 942 and name HD3 )) (( segid " " and resid 942 and name HG3 )) OR { 1886} (( segid " " and resid 950 and name HD2 )) (( segid " " and resid 950 and name HG3 )) OR { 1886} (( segid " " and resid 977 and name HD3 )) (( segid " " and resid 977 and name HG2 )) ASSI { 3193} (( segid " " and resid 956 and name HA )) ( segid " " and resid 932 and name HG2%) 3.100 1.200 1.200 peak 3193 spectrum 1 weight 0.10000E+01 volume 0.29859E-02 ppm1 4.218 ppm2 0.861 CV 1 OR { 3193} (( segid " " and resid 956 and name HA )) ( segid " " and resid 959 and name HG1%) ASSI { 3473} ( segid " " and resid 958 and name HB% ) (( segid " " and resid 958 and name H )) 2.000 0.500 0.500 peak 3473 spectrum 1 weight 0.10000E+01 volume 0.17388E-01 ppm1 1.446 ppm2 7.562 CV 1 OR { 3473} ( segid " " and resid 958 and name HB% ) (( segid " " and resid 959 and name H )) ASSI { 1773} (( segid " " and resid 996 and name HD3 )) (( segid " " and resid 995 and name HG3 )) 4.400 2.400 1.600 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.64823E-03 ppm1 3.486 ppm2 2.399 CV 1 OR { 1773} (( segid " " and resid 996 and name HD3 )) (( segid " " and resid 962 and name HG3 )) ASSI { 435} (( segid " " and resid 968 and name HB3 )) (( segid " " and resid 968 and name H )) 2.700 0.900 0.900 peak 435 spectrum 1 weight 0.10000E+01 volume 0.51153E-02 ppm1 2.020 ppm2 8.192 CV 1 OR { 435} (( segid " " and resid 974 and name HB3 )) (( segid " " and resid 974 and name H )) ASSI { 1570} (( segid " " and resid 936 and name HG2 )) (( segid " " and resid 936 and name HB2 )) 2.500 0.800 0.800 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.44805E-02 ppm1 2.521 ppm2 2.144 CV 1 OR { 1570} (( segid " " and resid 991 and name HG3 )) (( segid " " and resid 991 and name HB2 )) ASSI { 1896} ( segid " " and resid 1001 and name HG1%) (( segid " " and resid 1004 and name H )) 3.700 1.700 1.700 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.10446E-02 ppm1 0.887 ppm2 8.807 CV 1 OR { 1896} ( segid " " and resid 1001 and name HG1%) (( segid " " and resid 1027 and name H )) ASSI { 1375} ( segid " " and resid 1041 and name HB% ) (( segid " " and resid 983 and name HG3 )) 3.700 1.700 1.700 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.68518E-03 ppm1 1.309 ppm2 2.261 CV 1 OR { 1375} ( segid " " and resid 941 and name HB% ) (( segid " " and resid 942 and name HB2 )) ASSI { 1436} ( segid " " and resid 914 and name HG2%) (( segid " " and resid 983 and name HG3 )) 2.900 1.100 1.100 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.35502E-02 ppm1 0.798 ppm2 2.253 CV 1 OR { 1436} ( segid " " and resid 914 and name HG2%) (( segid " " and resid 915 and name HG2 )) ASSI { 1185} (( segid " " and resid 982 and name HA )) (( segid " " and resid 983 and name H )) 3.300 1.300 1.300 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.12797E-02 ppm1 4.062 ppm2 7.791 CV 1 OR { 1185} (( segid " " and resid 1003 and name HA )) (( segid " " and resid 1006 and name H )) ASSI { 2745} (( segid " " and resid 957 and name HB2 )) (( segid " " and resid 957 and name H )) 2.300 0.700 0.700 peak 2745 spectrum 1 weight 0.10000E+01 volume 0.77050E-02 ppm1 1.850 ppm2 7.582 CV 1 OR { 2745} (( segid " " and resid 957 and name HB3 )) (( segid " " and resid 957 and name H )) OR { 2745} (( segid " " and resid 957 and name HB2 )) (( segid " " and resid 958 and name H )) ASSI { 3492} (( segid " " and resid 1033 and name HA )) (( segid " " and resid 1037 and name H )) 3.400 1.400 1.400 peak 3492 spectrum 1 weight 0.10000E+01 volume 0.10278E-02 ppm1 4.166 ppm2 8.535 CV 1 OR { 3492} (( segid " " and resid 1033 and name HA )) (( segid " " and resid 1035 and name H )) ASSI { 2702} ( segid " " and resid 1024 and name HB% ) (( segid " " and resid 1005 and name HD2 )) 3.200 1.300 1.300 peak 2702 spectrum 1 weight 0.10000E+01 volume 0.12494E-02 ppm1 1.396 ppm2 1.580 CV 1 OR { 2702} ( segid " " and resid 1024 and name HB% ) (( segid " " and resid 1005 and name HD3 )) OR { 2702} ( segid " " and resid 1002 and name HB% ) (( segid " " and resid 1005 and name HD2 )) OR { 2702} ( segid " " and resid 1002 and name HB% ) (( segid " " and resid 1005 and name HD3 )) ASSI { 3362} (( segid " " and resid 922 and name HD2 )) (( segid " " and resid 922 and name H )) 3.800 1.800 1.800 peak 3362 spectrum 1 weight 0.10000E+01 volume 0.14039E-02 ppm1 1.584 ppm2 8.133 CV 1 OR { 3362} (( segid " " and resid 922 and name HD3 )) (( segid " " and resid 922 and name H )) OR { 3362} (( segid " " and resid 1025 and name HD3 )) (( segid " " and resid 1026 and name H )) ASSI { 468} (( segid " " and resid 983 and name HG3 )) (( segid " " and resid 983 and name H )) 2.900 1.000 1.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.40035E-02 ppm1 2.235 ppm2 7.787 CV 1 OR { 468} (( segid " " and resid 915 and name HG2 )) (( segid " " and resid 915 and name H )) OR { 468} (( segid " " and resid 915 and name HG3 )) (( segid " " and resid 915 and name H )) ASSI { 690} ( segid " " and resid 1020 and name HD2%) (( segid " " and resid 1020 and name HB2 )) 2.800 0.900 0.900 peak 690 spectrum 1 weight 0.10000E+01 volume 0.72411E-02 ppm1 0.819 ppm2 1.230 CV 1 OR { 690} ( segid " " and resid 1034 and name HD1%) (( segid " " and resid 1034 and name HB3 )) ASSI { 2108} (( segid " " and resid 952 and name HA )) (( segid " " and resid 952 and name H )) 2.900 1.100 1.100 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.18003E-02 ppm1 3.913 ppm2 8.006 CV 1 OR { 2108} (( segid " " and resid 913 and name HA )) (( segid " " and resid 914 and name H )) ASSI { 2994} (( segid " " and resid 918 and name HG3 )) (( segid " " and resid 918 and name HG2 )) 2.100 0.500 0.500 peak 2994 spectrum 1 weight 0.10000E+01 volume 0.59583E-02 ppm1 2.432 ppm2 1.930 CV 1 OR { 2994} (( segid " " and resid 1043 and name HG3 )) (( segid " " and resid 1043 and name HB2 )) ASSI { 2051} (( segid " " and resid 1002 and name HA )) (( segid " " and resid 1001 and name HB )) 3.800 1.800 1.800 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.75908E-03 ppm1 3.993 ppm2 2.158 CV 1 OR { 2051} (( segid " " and resid 1038 and name HA )) (( segid " " and resid 917 and name HB2 )) ASSI { 3166} ( segid " " and resid 1008 and name HG1%) (( segid " " and resid 1021 and name HB2 )) 2.500 0.800 0.800 peak 3166 spectrum 1 weight 0.10000E+01 volume 0.44637E-02 ppm1 0.892 ppm2 4.073 CV 1 OR { 3166} ( segid " " and resid 1001 and name HG1%) (( segid " " and resid 1028 and name HA3 )) ASSI { 3497} ( segid " " and resid 960 and name HB% ) (( segid " " and resid 963 and name HG13)) 3.400 1.400 1.400 peak 3497 spectrum 1 weight 0.10000E+01 volume 0.17600E-02 ppm1 1.507 ppm2 2.204 CV 1 OR { 3497} ( segid " " and resid 1030 and name HB% ) (( segid " " and resid 1034 and name HB2 )) ASSI { 2741} ( segid " " and resid 1000 and name HE% ) (( segid " " and resid 997 and name HA2 )) 3.100 1.200 1.200 peak 2741 spectrum 1 weight 0.10000E+01 volume 0.21495E-02 ppm1 1.974 ppm2 3.264 CV 1 OR { 2741} ( segid " " and resid 1000 and name HE% ) (( segid " " and resid 1001 and name HA )) ASSI { 2946} ( segid " " and resid 929 and name HG2%) ( segid " " and resid 932 and name HD1%) 3.300 1.400 1.400 peak 2946 spectrum 1 weight 0.10000E+01 volume 0.21932E-02 ppm1 1.227 ppm2 0.839 CV 1 OR { 2946} ( segid " " and resid 929 and name HG2%) ( segid " " and resid 963 and name HG2%) ASSI { 2797} (( segid " " and resid 988 and name HA )) (( segid " " and resid 991 and name HB2 )) 2.600 0.800 0.800 peak 2797 spectrum 1 weight 0.10000E+01 volume 0.32882E-02 ppm1 4.121 ppm2 2.128 CV 1 OR { 2797} (( segid " " and resid 933 and name HA )) (( segid " " and resid 936 and name HB2 )) ASSI { 1876} (( segid " " and resid 915 and name HB3 )) (( segid " " and resid 916 and name H )) 2.800 1.000 1.000 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.24653E-02 ppm1 1.735 ppm2 8.248 CV 1 OR { 1876} (( segid " " and resid 916 and name HG2 )) (( segid " " and resid 916 and name H )) OR { 1876} (( segid " " and resid 915 and name HB3 )) (( segid " " and resid 912 and name H )) ASSI { 2305} ( segid " " and resid 1027 and name HD1%) (( segid " " and resid 924 and name HA )) 2.900 1.000 1.000 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.33386E-02 ppm1 0.933 ppm2 3.859 CV 1 OR { 2305} ( segid " " and resid 914 and name HG1%) (( segid " " and resid 983 and name HA )) ASSI { 3236} (( segid " " and resid 963 and name HG13)) ( segid " " and resid 959 and name HG1%) 2.700 0.900 0.900 peak 3236 spectrum 1 weight 0.10000E+01 volume 0.30631E-02 ppm1 2.198 ppm2 0.847 CV 1 OR { 3236} (( segid " " and resid 963 and name HG13)) ( segid " " and resid 963 and name HG2%) ASSI { 1094} (( segid " " and resid 1005 and name HD3 )) (( segid " " and resid 1005 and name HG2 )) 2.100 0.600 0.600 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.10976E-01 ppm1 1.606 ppm2 1.333 CV 1 OR { 1094} (( segid " " and resid 922 and name HD3 )) (( segid " " and resid 922 and name HG2 )) OR { 1094} (( segid " " and resid 1025 and name HD3 )) (( segid " " and resid 1025 and name HG2 )) OR { 1094} (( segid " " and resid 922 and name HD2 )) (( segid " " and resid 922 and name HG2 )) OR { 1094} (( segid " " and resid 1025 and name HD2 )) (( segid " " and resid 1025 and name HG2 )) ASSI { 2585} (( segid " " and resid 968 and name HB3 )) (( segid " " and resid 968 and name HG2 )) 2.400 0.700 0.700 peak 2585 spectrum 1 weight 0.10000E+01 volume 0.67071E-02 ppm1 2.008 ppm2 2.353 CV 1 OR { 2585} (( segid " " and resid 936 and name HB3 )) (( segid " " and resid 936 and name HG3 )) ASSI { 1995} (( segid " " and resid 936 and name HB2 )) ( segid " " and resid 932 and name HG2%) 3.100 1.200 1.200 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.14140E-02 ppm1 2.136 ppm2 0.839 CV 1 OR { 1995} (( segid " " and resid 968 and name HB2 )) ( segid " " and resid 965 and name HD2%) ASSI { 584} (( segid " " and resid 1000 and name HB3 )) ( segid " " and resid 931 and name HG2%) 3.800 1.800 1.800 peak 584 spectrum 1 weight 0.10000E+01 volume 0.87663E-03 ppm1 2.306 ppm2 0.959 CV 1 OR { 584} (( segid " " and resid 949 and name HG2 )) ( segid " " and resid 953 and name HG2%) ASSI { 2146} ( segid " " and resid 932 and name HD1%) (( segid " " and resid 932 and name HG12)) 2.000 0.500 0.500 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.16068E-01 ppm1 0.827 ppm2 0.928 CV 1 OR { 2146} ( segid " " and resid 932 and name HD1%) ( segid " " and resid 963 and name HD1%) ASSI { 1384} (( segid " " and resid 942 and name HB2 )) (( segid " " and resid 942 and name HD3 )) 3.900 1.900 1.900 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.10513E-02 ppm1 2.246 ppm2 3.558 CV 1 OR { 1384} (( segid " " and resid 950 and name HB2 )) (( segid " " and resid 950 and name HD2 )) ASSI { 3352} ( segid " " and resid 1031 and name HD2%) (( segid " " and resid 1034 and name HB2 )) 3.500 1.600 1.600 peak 3352 spectrum 1 weight 0.10000E+01 volume 0.18843E-02 ppm1 0.942 ppm2 2.197 CV 1 OR { 3352} ( segid " " and resid 914 and name HG1%) (( segid " " and resid 983 and name HB2 )) ASSI { 2899} ( segid " " and resid 1034 and name HD1%) ( segid " " and resid 920 and name HB% ) 2.400 0.700 0.700 peak 2899 spectrum 1 weight 0.10000E+01 volume 0.80106E-02 ppm1 0.856 ppm2 1.401 CV 1 OR { 2899} ( segid " " and resid 917 and name HD2%) ( segid " " and resid 1038 and name HB% ) ASSI { 2086} (( segid " " and resid 1031 and name HA )) (( segid " " and resid 1034 and name HB2 )) 3.000 1.100 1.100 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.36442E-02 ppm1 4.048 ppm2 2.192 CV 1 OR { 2086} (( segid " " and resid 923 and name HA )) (( segid " " and resid 923 and name HG2 )) ASSI { 529} (( segid " " and resid 964 and name HD3 )) (( segid " " and resid 963 and name HB )) 2.200 0.600 0.600 peak 529 spectrum 1 weight 0.10000E+01 volume 0.76040E-02 ppm1 3.663 ppm2 1.985 CV 1 OR { 529} (( segid " " and resid 964 and name HD2 )) (( segid " " and resid 964 and name HG2 )) OR { 529} (( segid " " and resid 950 and name HD3 )) (( segid " " and resid 950 and name HG2 )) OR { 529} (( segid " " and resid 964 and name HD2 )) (( segid " " and resid 963 and name HB )) ASSI { 1813} (( segid " " and resid 942 and name HB2 )) (( segid " " and resid 942 and name HG2 )) 2.400 0.700 0.700 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.35737E-02 ppm1 2.241 ppm2 1.982 CV 1 OR { 1813} (( segid " " and resid 950 and name HB2 )) (( segid " " and resid 950 and name HG2 )) ASSI { 3315} (( segid " " and resid 956 and name HA )) ( segid " " and resid 932 and name HD1%) 2.900 1.100 1.100 peak 3315 spectrum 1 weight 0.10000E+01 volume 0.31404E-02 ppm1 4.228 ppm2 0.845 CV 1 OR { 3315} (( segid " " and resid 956 and name HA )) ( segid " " and resid 932 and name HG2%) OR { 3315} (( segid " " and resid 956 and name HA )) ( segid " " and resid 959 and name HG1%) ASSI { 1046} ( segid " " and resid 935 and name HB% ) (( segid " " and resid 932 and name HG13)) 3.900 1.900 1.900 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.10479E-02 ppm1 1.357 ppm2 1.828 CV 1 OR { 1046} ( segid " " and resid 938 and name HB% ) (( segid " " and resid 1011 and name HB )) ASSI { 1011} (( segid " " and resid 991 and name HG3 )) (( segid " " and resid 991 and name HE22)) 3.800 1.800 1.800 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.12562E-02 ppm1 2.486 ppm2 6.605 CV 1 OR { 1011} (( segid " " and resid 962 and name HG2 )) (( segid " " and resid 962 and name HE22)) ASSI { 634} ( segid " " and resid 913 and name HD2%) (( segid " " and resid 913 and name HA )) 2.100 0.600 0.600 peak 634 spectrum 1 weight 0.10000E+01 volume 0.11117E-01 ppm1 0.817 ppm2 3.929 CV 1 OR { 634} ( segid " " and resid 1020 and name HD2%) (( segid " " and resid 1020 and name HA )) ASSI { 2499} (( segid " " and resid 980 and name HG2 )) (( segid " " and resid 981 and name HA )) 3.500 1.500 1.500 peak 2499 spectrum 1 weight 0.10000E+01 volume 0.16256E-02 ppm1 2.003 ppm2 4.131 CV 1 OR { 2499} (( segid " " and resid 936 and name HB3 )) (( segid " " and resid 933 and name HA )) ASSI { 1578} (( segid " " and resid 916 and name HD3 )) (( segid " " and resid 916 and name HG3 )) 2.200 0.600 0.600 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.80877E-02 ppm1 3.077 ppm2 1.548 CV 1 OR { 1578} (( segid " " and resid 971 and name HD3 )) (( segid " " and resid 971 and name HG3 )) OR { 1578} (( segid " " and resid 971 and name HD2 )) (( segid " " and resid 971 and name HG3 )) ASSI { 598} ( segid " " and resid 1020 and name HD1%) (( segid " " and resid 1020 and name HG )) 2.200 0.600 0.600 peak 598 spectrum 1 weight 0.10000E+01 volume 0.96530E-02 ppm1 0.754 ppm2 1.366 CV 1 OR { 598} ( segid " " and resid 1020 and name HD1%) ( segid " " and resid 938 and name HB% ) ASSI { 1885} (( segid " " and resid 932 and name HB )) (( segid " " and resid 933 and name H )) 2.900 1.000 1.000 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.19447E-02 ppm1 1.839 ppm2 7.551 CV 1 OR { 1885} (( segid " " and resid 1011 and name HB )) (( segid " " and resid 1013 and name H )) ASSI { 1439} ( segid " " and resid 931 and name HG2%) ( segid " " and resid 1027 and name HD2%) 2.200 0.600 0.600 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.11194E-01 ppm1 0.960 ppm2 0.815 CV 1 OR { 1439} ( segid " " and resid 931 and name HG2%) ( segid " " and resid 1020 and name HD2%) ASSI { 2799} ( segid " " and resid 1030 and name HB% ) (( segid " " and resid 1029 and name HB )) 2.800 1.000 1.000 peak 2799 spectrum 1 weight 0.10000E+01 volume 0.11688E-02 ppm1 1.506 ppm2 4.246 CV 1 OR { 2799} ( segid " " and resid 960 and name HB% ) (( segid " " and resid 956 and name HA )) ASSI { 617} (( segid " " and resid 1042 and name HG2 )) (( segid " " and resid 1042 and name HE21)) 2.900 1.100 1.100 peak 617 spectrum 1 weight 0.10000E+01 volume 0.19615E-02 ppm1 2.430 ppm2 7.402 CV 1 OR { 617} (( segid " " and resid 1014 and name HG3 )) (( segid " " and resid 1014 and name HE21)) ASSI { 3394} ( segid " " and resid 1027 and name HD2%) (( segid " " and resid 1001 and name HA )) 3.100 1.200 1.200 peak 3394 spectrum 1 weight 0.10000E+01 volume 0.15551E-02 ppm1 0.821 ppm2 3.277 CV 1 OR { 3394} ( segid " " and resid 1027 and name HD2%) (( segid " " and resid 997 and name HA2 )) ASSI { 1216} (( segid " " and resid 1008 and name HA )) (( segid " " and resid 1020 and name HG )) 4.400 2.400 1.600 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.62809E-03 ppm1 3.637 ppm2 1.369 CV 1 OR { 1216} (( segid " " and resid 1008 and name HA )) ( segid " " and resid 938 and name HB% ) ASSI { 801} (( segid " " and resid 1014 and name HG3 )) ( segid " " and resid 1017 and name HB% ) 3.900 1.900 1.900 peak 801 spectrum 1 weight 0.10000E+01 volume 0.75233E-03 ppm1 2.398 ppm2 1.500 CV 1 OR { 801} (( segid " " and resid 1014 and name HG2 )) ( segid " " and resid 1017 and name HB% ) OR { 801} (( segid " " and resid 1022 and name HG3 )) (( segid " " and resid 1025 and name HG3 )) ASSI { 1133} (( segid " " and resid 940 and name HA )) (( segid " " and resid 940 and name HB2 )) 2.400 0.700 0.700 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.81887E-02 ppm1 4.372 ppm2 3.852 CV 1 OR { 1133} (( segid " " and resid 945 and name HA )) (( segid " " and resid 945 and name HB3 )) ASSI { 1353} (( segid " " and resid 917 and name HA )) (( segid " " and resid 917 and name H )) 2.700 0.900 0.900 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.29960E-02 ppm1 4.045 ppm2 7.579 CV 1 OR { 1353} (( segid " " and resid 986 and name HA )) (( segid " " and resid 986 and name H )) ASSI { 719} (( segid " " and resid 1009 and name HB2 )) (( segid " " and resid 1009 and name HD3 )) 3.400 1.400 1.400 peak 719 spectrum 1 weight 0.10000E+01 volume 0.26433E-02 ppm1 1.789 ppm2 3.578 CV 1 OR { 719} (( segid " " and resid 950 and name HB3 )) (( segid " " and resid 950 and name HD2 )) OR { 719} (( segid " " and resid 1009 and name HB2 )) (( segid " " and resid 1009 and name HD2 )) ASSI { 2540} (( segid " " and resid 1009 and name HG2 )) (( segid " " and resid 1009 and name HD2 )) 2.100 0.500 0.500 peak 2540 spectrum 1 weight 0.10000E+01 volume 0.10687E-01 ppm1 1.923 ppm2 3.572 CV 1 OR { 2540} (( segid " " and resid 1009 and name HG3 )) (( segid " " and resid 1009 and name HD3 )) OR { 2540} (( segid " " and resid 1009 and name HG3 )) (( segid " " and resid 1009 and name HD2 )) OR { 2540} (( segid " " and resid 942 and name HG3 )) (( segid " " and resid 942 and name HD3 )) OR { 2540} (( segid " " and resid 950 and name HG3 )) (( segid " " and resid 950 and name HD2 )) ASSI { 575} (( segid " " and resid 991 and name HG3 )) (( segid " " and resid 991 and name HE21)) 2.700 0.900 0.900 peak 575 spectrum 1 weight 0.10000E+01 volume 0.20891E-02 ppm1 2.515 ppm2 7.186 CV 1 OR { 575} (( segid " " and resid 936 and name HG2 )) (( segid " " and resid 936 and name HE21)) ASSI { 1646} (( segid " " and resid 970 and name HB )) (( segid " " and resid 967 and name HA )) 2.800 1.000 1.000 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.22335E-02 ppm1 2.177 ppm2 3.277 CV 1 OR { 1646} (( segid " " and resid 1001 and name HB )) (( segid " " and resid 1001 and name HA )) ASSI { 1462} ( segid " " and resid 963 and name HD1%) ( segid " " and resid 963 and name HG2%) 1.800 0.400 0.400 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.27598E-01 ppm1 0.935 ppm2 0.845 CV 1 OR { 1462} ( segid " " and resid 963 and name HD1%) ( segid " " and resid 932 and name HD1%) ASSI { 2011} ( segid " " and resid 929 and name HG2%) (( segid " " and resid 930 and name HA )) 2.800 1.000 1.000 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.36778E-02 ppm1 1.227 ppm2 4.104 CV 1 OR { 2011} ( segid " " and resid 929 and name HG2%) (( segid " " and resid 926 and name HA )) ASSI { 572} ( segid " " and resid 935 and name HB% ) ( segid " " and resid 931 and name HG2%) 2.500 0.800 0.800 peak 572 spectrum 1 weight 0.10000E+01 volume 0.58878E-02 ppm1 1.361 ppm2 0.951 CV 1 OR { 572} ( segid " " and resid 938 and name HB% ) ( segid " " and resid 1011 and name HG2%) ASSI { 1320} (( segid " " and resid 921 and name HA )) (( segid " " and resid 922 and name H )) 3.100 1.200 1.200 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.16928E-02 ppm1 3.815 ppm2 8.128 CV 1 OR { 1320} (( segid " " and resid 924 and name HA )) (( segid " " and resid 925 and name H )) OR { 1320} (( segid " " and resid 921 and name HA )) (( segid " " and resid 925 and name H )) ASSI { 3381} (( segid " " and resid 933 and name HA )) (( segid " " and resid 934 and name H )) 3.100 1.200 1.200 peak 3381 spectrum 1 weight 0.10000E+01 volume 0.20353E-02 ppm1 4.118 ppm2 7.972 CV 1 OR { 3381} (( segid " " and resid 1015 and name HA )) (( segid " " and resid 1016 and name H )) ASSI { 570} (( segid " " and resid 922 and name HG3 )) ( segid " " and resid 970 and name HG2%) 3.100 1.200 1.200 peak 570 spectrum 1 weight 0.10000E+01 volume 0.12696E-02 ppm1 1.634 ppm2 0.901 CV 1 OR { 570} (( segid " " and resid 1005 and name HG3 )) ( segid " " and resid 1001 and name HG1%) ASSI { 965} ( segid " " and resid 1008 and name HG2%) (( segid " " and resid 1021 and name HA )) 2.400 0.700 0.700 peak 965 spectrum 1 weight 0.10000E+01 volume 0.69056E-02 ppm1 1.103 ppm2 3.853 CV 1 OR { 965} ( segid " " and resid 1008 and name HG2%) (( segid " " and resid 1017 and name HA )) ASSI { 2160} (( segid " " and resid 964 and name HG2 )) (( segid " " and resid 964 and name HB3 )) 2.300 0.700 0.700 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.65158E-02 ppm1 1.986 ppm2 2.270 CV 1 OR { 2160} (( segid " " and resid 991 and name HB3 )) (( segid " " and resid 991 and name HG2 )) OR { 2160} (( segid " " and resid 950 and name HG2 )) (( segid " " and resid 950 and name HB2 )) ASSI { 339} (( segid " " and resid 1040 and name HB3 )) (( segid " " and resid 1040 and name HG2 )) 2.400 0.700 0.700 peak 339 spectrum 1 weight 0.10000E+01 volume 0.69355E-02 ppm1 1.814 ppm2 1.581 CV 1 OR { 339} (( segid " " and resid 1005 and name HB2 )) (( segid " " and resid 1005 and name HD2 )) OR { 339} (( segid " " and resid 1005 and name HB3 )) (( segid " " and resid 1005 and name HD3 )) OR { 339} (( segid " " and resid 922 and name HB3 )) (( segid " " and resid 922 and name HD2 )) OR { 339} (( segid " " and resid 999 and name HB2 )) (( segid " " and resid 999 and name HD3 )) OR { 339} (( segid " " and resid 1040 and name HB3 )) (( segid " " and resid 1040 and name HD2 )) OR { 339} (( segid " " and resid 999 and name HB3 )) (( segid " " and resid 999 and name HD3 )) OR { 339} (( segid " " and resid 922 and name HB2 )) (( segid " " and resid 922 and name HD2 )) OR { 339} (( segid " " and resid 1005 and name HB3 )) (( segid " " and resid 1005 and name HD2 )) OR { 339} (( segid " " and resid 1040 and name HB3 )) (( segid " " and resid 1040 and name HD3 )) OR { 339} (( segid " " and resid 1005 and name HB2 )) (( segid " " and resid 1005 and name HD3 )) OR { 339} (( segid " " and resid 922 and name HB3 )) (( segid " " and resid 922 and name HD3 )) OR { 339} (( segid " " and resid 957 and name HB2 )) (( segid " " and resid 957 and name HD3 )) ASSI { 702} ( segid " " and resid 1034 and name HD1%) (( segid " " and resid 1035 and name H )) 4.100 2.100 1.900 peak 702 spectrum 1 weight 0.10000E+01 volume 0.71203E-03 ppm1 0.843 ppm2 8.516 CV 1 OR { 702} ( segid " " and resid 984 and name HD1%) (( segid " " and resid 988 and name H )) ASSI { 2264} (( segid " " and resid 955 and name HB2 )) (( segid " " and resid 955 and name HA )) 2.600 0.800 0.800 peak 2264 spectrum 1 weight 0.10000E+01 volume 0.42857E-02 ppm1 3.769 ppm2 4.210 CV 1 OR { 2264} (( segid " " and resid 955 and name HB3 )) (( segid " " and resid 1000 and name HA )) OR { 2264} (( segid " " and resid 955 and name HB3 )) (( segid " " and resid 955 and name HA )) OR { 2264} (( segid " " and resid 927 and name HB3 )) (( segid " " and resid 927 and name HA )) ASSI { 1141} (( segid " " and resid 986 and name HA )) (( segid " " and resid 989 and name H )) 3.000 1.100 1.100 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.18104E-02 ppm1 4.056 ppm2 8.234 CV 1 OR { 1141} (( segid " " and resid 923 and name HA )) (( segid " " and resid 924 and name H )) ASSI { 3134} ( segid " " and resid 1008 and name HG2%) ( segid " " and resid 1017 and name HB% ) 3.600 1.600 1.600 peak 3134 spectrum 1 weight 0.10000E+01 volume 0.20689E-02 ppm1 1.102 ppm2 1.494 CV 1 OR { 3134} ( segid " " and resid 1008 and name HG2%) (( segid " " and resid 1011 and name HG13)) ASSI { 470} (( segid " " and resid 1039 and name HB2 )) (( segid " " and resid 1039 and name HA )) 2.300 0.600 0.600 peak 470 spectrum 1 weight 0.10000E+01 volume 0.83597E-02 ppm1 2.135 ppm2 3.952 CV 1 OR { 470} (( segid " " and resid 968 and name HB2 )) (( segid " " and resid 968 and name HA )) OR { 470} (( segid " " and resid 936 and name HB2 )) (( segid " " and resid 936 and name HA )) ASSI { 1660} (( segid " " and resid 987 and name HA )) (( segid " " and resid 987 and name HG13)) 2.400 0.700 0.700 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.73923E-02 ppm1 3.361 ppm2 0.704 CV 1 OR { 1660} (( segid " " and resid 987 and name HA )) ( segid " " and resid 917 and name HD1%) ASSI { 511} ( segid " " and resid 913 and name HD2%) (( segid " " and resid 913 and name HB3 )) 2.200 0.600 0.600 peak 511 spectrum 1 weight 0.10000E+01 volume 0.10103E-01 ppm1 0.817 ppm2 1.273 CV 1 OR { 511} ( segid " " and resid 1020 and name HD2%) ( segid " " and resid 1004 and name HB% ) ASSI { 2589} ( segid " " and resid 1003 and name HB% ) ( segid " " and resid 952 and name HD2%) 2.100 0.600 0.600 peak 2589 spectrum 1 weight 0.10000E+01 volume 0.15830E-01 ppm1 1.308 ppm2 0.704 CV 1 OR { 2589} ( segid " " and resid 1004 and name HB% ) ( segid " " and resid 952 and name HD2%) OR { 2589} ( segid " " and resid 1041 and name HB% ) ( segid " " and resid 917 and name HD1%) ASSI { 1784} (( segid " " and resid 1004 and name HA )) (( segid " " and resid 952 and name HG )) 3.600 1.600 1.600 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.10882E-02 ppm1 3.864 ppm2 1.413 CV 1 OR { 1784} (( segid " " and resid 1004 and name HA )) ( segid " " and resid 1024 and name HB% ) ASSI { 1215} ( segid " " and resid 917 and name HD1%) (( segid " " and resid 987 and name HB )) 4.100 2.100 1.900 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.65158E-03 ppm1 0.698 ppm2 1.890 CV 1 OR { 1215} ( segid " " and resid 917 and name HD1%) (( segid " " and resid 914 and name HB )) ASSI { 3335} (( segid " " and resid 922 and name HB2 )) (( segid " " and resid 922 and name HE3 )) 3.300 1.300 1.300 peak 3335 spectrum 1 weight 0.10000E+01 volume 0.18607E-02 ppm1 1.811 ppm2 2.827 CV 1 OR { 3335} (( segid " " and resid 922 and name HB2 )) (( segid " " and resid 922 and name HE2 )) OR { 3335} (( segid " " and resid 922 and name HB3 )) (( segid " " and resid 922 and name HE2 )) OR { 3335} (( segid " " and resid 922 and name HB3 )) (( segid " " and resid 922 and name HE3 )) OR { 3335} (( segid " " and resid 1040 and name HB3 )) (( segid " " and resid 1040 and name HE2 )) OR { 3335} (( segid " " and resid 999 and name HB3 )) (( segid " " and resid 999 and name HE2 )) OR { 3335} (( segid " " and resid 1005 and name HB2 )) (( segid " " and resid 1005 and name HE3 )) OR { 3335} (( segid " " and resid 999 and name HB2 )) (( segid " " and resid 999 and name HE2 )) OR { 3335} (( segid " " and resid 1005 and name HB3 )) (( segid " " and resid 1005 and name HE3 )) ASSI { 3471} ( segid " " and resid 913 and name HD1%) (( segid " " and resid 1043 and name H )) 4.400 2.400 1.600 peak 3471 spectrum 1 weight 0.10000E+01 volume 0.44671E-03 ppm1 0.834 ppm2 7.544 CV 1 OR { 3471} ( segid " " and resid 952 and name HD1%) (( segid " " and resid 1008 and name H )) ASSI { 907} (( segid " " and resid 1019 and name HB3 )) (( segid " " and resid 1019 and name HG3 )) 2.200 0.600 0.600 peak 907 spectrum 1 weight 0.10000E+01 volume 0.92966E-02 ppm1 2.156 ppm2 2.361 CV 1 OR { 907} (( segid " " and resid 1019 and name HB2 )) (( segid " " and resid 1019 and name HG2 )) OR { 907} (( segid " " and resid 1019 and name HB3 )) (( segid " " and resid 1019 and name HG2 )) OR { 907} (( segid " " and resid 968 and name HB2 )) (( segid " " and resid 968 and name HG2 )) OR { 907} (( segid " " and resid 936 and name HB2 )) (( segid " " and resid 936 and name HG3 )) ASSI { 1156} ( segid " " and resid 1003 and name HB% ) (( segid " " and resid 955 and name H )) 2.900 1.000 1.000 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.10076E-02 ppm1 1.330 ppm2 8.174 CV 1 OR { 1156} ( segid " " and resid 1037 and name HB% ) (( segid " " and resid 1034 and name H )) ASSI { 25} (( segid " " and resid 961 and name HG2 )) (( segid " " and resid 961 and name HB3 )) 2.600 0.800 0.800 peak 25 spectrum 1 weight 0.10000E+01 volume 0.61397E-02 ppm1 2.437 ppm2 2.075 CV 1 OR { 25} (( segid " " and resid 961 and name HG2 )) (( segid " " and resid 961 and name HB2 )) OR { 25} (( segid " " and resid 1043 and name HG3 )) (( segid " " and resid 1043 and name HB3 )) ASSI { 2168} ( segid " " and resid 1004 and name HB% ) (( segid " " and resid 1004 and name HA )) 2.000 0.500 0.500 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.17576E-01 ppm1 1.275 ppm2 3.851 CV 1 OR { 2168} ( segid " " and resid 924 and name HB% ) (( segid " " and resid 924 and name HA )) ASSI { 593} (( segid " " and resid 910 and name HG3 )) (( segid " " and resid 910 and name HA )) 3.600 1.600 1.600 peak 593 spectrum 1 weight 0.10000E+01 volume 0.14946E-02 ppm1 1.715 ppm2 4.216 CV 1 OR { 593} (( segid " " and resid 913 and name HG )) (( segid " " and resid 912 and name HA )) ASSI { 1626} (( segid " " and resid 960 and name HA )) ( segid " " and resid 932 and name HD1%) 2.500 0.800 0.800 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.60190E-02 ppm1 3.925 ppm2 0.832 CV 1 OR { 1626} (( segid " " and resid 960 and name HA )) ( segid " " and resid 959 and name HG1%) ASSI { 2428} (( segid " " and resid 1025 and name HA )) (( segid " " and resid 1025 and name HG3 )) 3.000 1.100 1.100 peak 2428 spectrum 1 weight 0.10000E+01 volume 0.21361E-02 ppm1 4.011 ppm2 1.513 CV 1 OR { 2428} (( segid " " and resid 999 and name HA )) (( segid " " and resid 999 and name HG3 )) ASSI { 686} ( segid " " and resid 1015 and name HB% ) (( segid " " and resid 1016 and name H )) 2.200 0.600 0.600 peak 686 spectrum 1 weight 0.10000E+01 volume 0.11896E-01 ppm1 1.437 ppm2 7.967 CV 1 OR { 686} ( segid " " and resid 1024 and name HB% ) (( segid " " and resid 1025 and name H )) OR { 686} ( segid " " and resid 933 and name HB% ) (( segid " " and resid 934 and name H )) ASSI { 909} ( segid " " and resid 959 and name HG2%) (( segid " " and resid 961 and name H )) 3.900 1.900 1.900 peak 909 spectrum 1 weight 0.10000E+01 volume 0.11386E-02 ppm1 0.748 ppm2 7.468 CV 1 OR { 909} ( segid " " and resid 959 and name HG2%) (( segid " " and resid 962 and name H )) ASSI { 3542} ( segid " " and resid 953 and name HG1%) (( segid " " and resid 953 and name H )) 3.300 1.300 1.300 peak 3542 spectrum 1 weight 0.10000E+01 volume 0.46283E-02 ppm1 0.885 ppm2 7.925 CV 1 OR { 3542} ( segid " " and resid 1001 and name HG1%) (( segid " " and resid 1001 and name H )) ASSI { 68} ( segid " " and resid 928 and name HB% ) (( segid " " and resid 963 and name HG12)) 2.000 0.500 0.500 peak 68 spectrum 1 weight 0.10000E+01 volume 0.14113E-01 ppm1 1.648 ppm2 0.932 CV 1 OR { 68} ( segid " " and resid 928 and name HB% ) ( segid " " and resid 963 and name HD1%) OR { 68} ( segid " " and resid 928 and name HB% ) ( segid " " and resid 1027 and name HD1%) ASSI { 2325} ( segid " " and resid 913 and name HD2%) (( segid " " and resid 913 and name HA )) 2.100 0.600 0.600 peak 2325 spectrum 1 weight 0.10000E+01 volume 0.11127E-01 ppm1 0.820 ppm2 3.950 CV 1 OR { 2325} ( segid " " and resid 1034 and name HD1%) (( segid " " and resid 1034 and name HA )) ASSI { 1273} (( segid " " and resid 1014 and name HG2 )) (( segid " " and resid 1014 and name HB3 )) 2.500 0.800 0.800 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.59079E-02 ppm1 2.358 ppm2 2.069 CV 1 OR { 1273} (( segid " " and resid 954 and name HG3 )) (( segid " " and resid 954 and name HB3 )) OR { 1273} (( segid " " and resid 954 and name HG2 )) (( segid " " and resid 954 and name HB2 )) OR { 1273} (( segid " " and resid 954 and name HG3 )) (( segid " " and resid 954 and name HB2 )) OR { 1273} (( segid " " and resid 954 and name HG2 )) (( segid " " and resid 954 and name HB3 )) ASSI { 1621} (( segid " " and resid 1043 and name HG2 )) (( segid " " and resid 1043 and name HA )) 2.900 1.100 1.100 peak 1621 spectrum 1 weight 0.10000E+01 volume 0.40338E-02 ppm1 2.233 ppm2 4.163 CV 1 OR { 1621} (( segid " " and resid 961 and name HG3 )) (( segid " " and resid 958 and name HA )) ASSI { 2159} (( segid " " and resid 966 and name HG )) ( segid " " and resid 1034 and name HD2%) 4.000 2.000 2.000 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.70868E-03 ppm1 1.097 ppm2 0.915 CV 1 OR { 2159} (( segid " " and resid 966 and name HG )) ( segid " " and resid 970 and name HG2%) ASSI { 3537} ( segid " " and resid 1041 and name HB% ) (( segid " " and resid 1041 and name HA )) 2.000 0.500 0.500 peak 3537 spectrum 1 weight 0.10000E+01 volume 0.16679E-01 ppm1 1.314 ppm2 4.042 CV 1 OR { 3537} ( segid " " and resid 1003 and name HB% ) (( segid " " and resid 1003 and name HA )) ASSI { 2683} ( segid " " and resid 1030 and name HB% ) (( segid " " and resid 1031 and name HA )) 3.200 1.300 1.300 peak 2683 spectrum 1 weight 0.10000E+01 volume 0.16223E-02 ppm1 1.506 ppm2 4.047 CV 1 OR { 2683} ( segid " " and resid 985 and name HB% ) (( segid " " and resid 986 and name HA )) ASSI { 701} (( segid " " and resid 936 and name HB3 )) (( segid " " and resid 936 and name HG2 )) 2.700 0.900 0.900 peak 701 spectrum 1 weight 0.10000E+01 volume 0.30195E-02 ppm1 2.003 ppm2 2.522 CV 1 OR { 701} (( segid " " and resid 991 and name HB3 )) (( segid " " and resid 991 and name HG3 )) ASSI { 672} (( segid " " and resid 948 and name HG3 )) (( segid " " and resid 948 and name HD3 )) 2.200 0.600 0.600 peak 672 spectrum 1 weight 0.10000E+01 volume 0.96296E-02 ppm1 1.921 ppm2 3.550 CV 1 OR { 672} (( segid " " and resid 942 and name HG3 )) (( segid " " and resid 942 and name HD3 )) OR { 672} (( segid " " and resid 948 and name HG2 )) (( segid " " and resid 948 and name HD3 )) OR { 672} (( segid " " and resid 977 and name HG2 )) (( segid " " and resid 977 and name HD3 )) ASSI { 3526} (( segid " " and resid 955 and name HB2 )) (( segid " " and resid 955 and name HA )) 2.600 0.800 0.800 peak 3526 spectrum 1 weight 0.10000E+01 volume 0.42118E-02 ppm1 3.758 ppm2 4.214 CV 1 OR { 3526} (( segid " " and resid 1016 and name HB3 )) (( segid " " and resid 1016 and name HA )) OR { 3526} (( segid " " and resid 955 and name HB3 )) (( segid " " and resid 1000 and name HA )) OR { 3526} (( segid " " and resid 955 and name HB3 )) (( segid " " and resid 955 and name HA )) OR { 3526} (( segid " " and resid 927 and name HB3 )) (( segid " " and resid 927 and name HA )) ASSI { 258} (( segid " " and resid 968 and name HG3 )) (( segid " " and resid 968 and name HB2 )) 2.000 0.500 0.500 peak 258 spectrum 1 weight 0.10000E+01 volume 0.20660E-01 ppm1 2.365 ppm2 2.150 CV 1 OR { 258} (( segid " " and resid 1019 and name HG2 )) (( segid " " and resid 1019 and name HB2 )) OR { 258} (( segid " " and resid 1019 and name HG3 )) (( segid " " and resid 1019 and name HB2 )) OR { 258} (( segid " " and resid 968 and name HG2 )) (( segid " " and resid 968 and name HB2 )) ASSI { 744} (( segid " " and resid 1031 and name HA )) ( segid " " and resid 1031 and name HD2%) 2.200 0.600 0.600 peak 744 spectrum 1 weight 0.10000E+01 volume 0.74766E-02 ppm1 4.042 ppm2 0.938 CV 1 OR { 744} (( segid " " and resid 1031 and name HA )) ( segid " " and resid 994 and name HD2%) ASSI { 2381} (( segid " " and resid 954 and name HG2 )) (( segid " " and resid 954 and name HE21)) 2.900 1.100 1.100 peak 2381 spectrum 1 weight 0.10000E+01 volume 0.31034E-02 ppm1 2.397 ppm2 7.462 CV 1 OR { 2381} (( segid " " and resid 962 and name HG3 )) (( segid " " and resid 962 and name H )) ASSI { 1581} ( segid " " and resid 963 and name HG2%) (( segid " " and resid 960 and name HA )) 3.900 1.900 1.900 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.18943E-02 ppm1 0.848 ppm2 3.928 CV 1 OR { 1581} ( segid " " and resid 932 and name HG2%) (( segid " " and resid 960 and name HA )) ASSI { 318} (( segid " " and resid 965 and name HB3 )) (( segid " " and resid 965 and name HA )) 2.800 1.000 1.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.22201E-02 ppm1 2.066 ppm2 4.037 CV 1 OR { 318} (( segid " " and resid 986 and name HB2 )) (( segid " " and resid 986 and name HA )) ASSI { 790} (( segid " " and resid 943 and name HG3 )) (( segid " " and resid 943 and name HD2 )) 2.400 0.700 0.700 peak 790 spectrum 1 weight 0.10000E+01 volume 0.65326E-02 ppm1 1.359 ppm2 1.602 CV 1 OR { 790} (( segid " " and resid 943 and name HG2 )) (( segid " " and resid 943 and name HD3 )) OR { 790} (( segid " " and resid 1025 and name HG2 )) (( segid " " and resid 1025 and name HD2 )) OR { 790} (( segid " " and resid 943 and name HG2 )) (( segid " " and resid 943 and name HD2 )) OR { 790} (( segid " " and resid 943 and name HG3 )) (( segid " " and resid 943 and name HD3 )) ASSI { 124} (( segid " " and resid 952 and name HA )) (( segid " " and resid 952 and name HB3 )) 2.400 0.700 0.700 peak 124 spectrum 1 weight 0.10000E+01 volume 0.63544E-02 ppm1 3.895 ppm2 1.400 CV 1 OR { 124} (( segid " " and resid 966 and name HA )) ( segid " " and resid 989 and name HB% ) OR { 124} (( segid " " and resid 952 and name HA )) (( segid " " and resid 952 and name HG )) ASSI { 55} ( segid " " and resid 1041 and name HB% ) ( segid " " and resid 917 and name HD2%) 2.400 0.700 0.700 peak 55 spectrum 1 weight 0.10000E+01 volume 0.95591E-02 ppm1 1.319 ppm2 0.850 CV 1 OR { 55} ( segid " " and resid 1037 and name HB% ) ( segid " " and resid 917 and name HD2%) ASSI { 697} (( segid " " and resid 999 and name HG2 )) (( segid " " and resid 999 and name HB2 )) 2.400 0.700 0.700 peak 697 spectrum 1 weight 0.10000E+01 volume 0.60656E-02 ppm1 1.343 ppm2 1.798 CV 1 OR { 697} (( segid " " and resid 1005 and name HG2 )) (( segid " " and resid 1005 and name HB3 )) OR { 697} (( segid " " and resid 999 and name HG2 )) (( segid " " and resid 999 and name HB3 )) OR { 697} (( segid " " and resid 1005 and name HG2 )) (( segid " " and resid 1005 and name HB2 )) ASSI { 1677} (( segid " " and resid 924 and name HA )) (( segid " " and resid 924 and name H )) 2.600 0.800 0.800 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.37886E-02 ppm1 3.847 ppm2 8.228 CV 1 OR { 1677} (( segid " " and resid 1004 and name HA )) (( segid " " and resid 1005 and name H )) ASSI { 910} (( segid " " and resid 923 and name HA )) (( segid " " and resid 927 and name H )) 3.300 1.300 1.300 peak 910 spectrum 1 weight 0.10000E+01 volume 0.13200E-02 ppm1 4.054 ppm2 8.515 CV 1 OR { 910} (( segid " " and resid 1031 and name HA )) (( segid " " and resid 1035 and name H )) ASSI { 1169} (( segid " " and resid 934 and name HA )) ( segid " " and resid 938 and name HB% ) 3.800 1.800 1.800 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.83968E-03 ppm1 4.153 ppm2 1.361 CV 1 OR { 1169} (( segid " " and resid 934 and name HA )) ( segid " " and resid 935 and name HB% ) ASSI { 1743} (( segid " " and resid 908 and name HG12)) ( segid " " and resid 908 and name HD1%) 2.500 0.800 0.800 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.51153E-02 ppm1 1.369 ppm2 0.758 CV 1 OR { 1743} (( segid " " and resid 1020 and name HG )) ( segid " " and resid 1020 and name HD1%) ASSI { 2776} (( segid " " and resid 1039 and name HB3 )) (( segid " " and resid 1039 and name HB2 )) 1.700 0.400 0.500 peak 2776 spectrum 1 weight 0.10000E+01 volume 0.18248E-01 ppm1 2.219 ppm2 2.114 CV 1 OR { 2776} (( segid " " and resid 1022 and name HB3 )) (( segid " " and resid 1022 and name HB2 )) ASSI { 3411} (( segid " " and resid 957 and name HA )) ( segid " " and resid 960 and name HB% ) 2.400 0.700 0.700 peak 3411 spectrum 1 weight 0.10000E+01 volume 0.75938E-02 ppm1 3.933 ppm2 1.497 CV 1 OR { 3411} (( segid " " and resid 957 and name HA )) (( segid " " and resid 957 and name HG2 )) OR { 3411} (( segid " " and resid 957 and name HA )) (( segid " " and resid 957 and name HG3 )) ASSI { 3062} (( segid " " and resid 984 and name HG )) ( segid " " and resid 984 and name HD1%) 2.100 0.600 0.600 peak 3062 spectrum 1 weight 0.10000E+01 volume 0.11765E-01 ppm1 1.732 ppm2 0.842 CV 1 OR { 3062} (( segid " " and resid 984 and name HG )) ( segid " " and resid 984 and name HD2%) OR { 3062} (( segid " " and resid 965 and name HG )) ( segid " " and resid 965 and name HD2%) ASSI { 2788} (( segid " " and resid 1005 and name HB2 )) ( segid " " and resid 1006 and name HB% ) 3.400 1.500 1.500 peak 2788 spectrum 1 weight 0.10000E+01 volume 0.21126E-02 ppm1 1.798 ppm2 1.414 CV 1 OR { 2788} (( segid " " and resid 1005 and name HB2 )) ( segid " " and resid 1024 and name HB% ) OR { 2788} (( segid " " and resid 1005 and name HB3 )) ( segid " " and resid 1024 and name HB% ) ASSI { 1473} (( segid " " and resid 1005 and name HG3 )) (( segid " " and resid 1005 and name HE3 )) 3.100 1.200 1.200 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.12461E-02 ppm1 1.636 ppm2 2.826 CV 1 OR { 1473} (( segid " " and resid 922 and name HG3 )) (( segid " " and resid 922 and name HE3 )) OR { 1473} (( segid " " and resid 922 and name HG3 )) (( segid " " and resid 922 and name HE2 )) ASSI { 1527} (( segid " " and resid 1040 and name HE3 )) (( segid " " and resid 1037 and name HA )) 3.000 1.100 1.100 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.14678E-02 ppm1 2.879 ppm2 3.957 CV 1 OR { 1527} (( segid " " and resid 957 and name HE3 )) (( segid " " and resid 954 and name HA )) ASSI { 1190} ( segid " " and resid 1034 and name HD1%) (( segid " " and resid 990 and name HG )) 3.000 1.100 1.100 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.17297E-02 ppm1 0.856 ppm2 3.585 CV 1 OR { 1190} ( segid " " and resid 917 and name HD2%) (( segid " " and resid 990 and name HG )) ASSI { 1589} (( segid " " and resid 1034 and name HB3 )) ( segid " " and resid 1034 and name HD2%) 2.700 0.900 0.900 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.19178E-02 ppm1 1.225 ppm2 0.902 CV 1 OR { 1589} (( segid " " and resid 1034 and name HB3 )) ( segid " " and resid 994 and name HD2%) ASSI { 2682} ( segid " " and resid 1000 and name HE% ) (( segid " " and resid 931 and name HA )) 2.500 2.500 3.500 peak 2682 spectrum 1 weight 0.10000E+01 volume 0.22537E-02 ppm1 1.974 ppm2 3.797 CV 1 OR { 2682} ( segid " " and resid 1000 and name HE% ) (( segid " " and resid 955 and name HB3 )) ASSI { 2744} (( segid " " and resid 922 and name HB2 )) (( segid " " and resid 922 and name HG3 )) 2.300 0.600 0.600 peak 2744 spectrum 1 weight 0.10000E+01 volume 0.82222E-02 ppm1 1.801 ppm2 1.622 CV 1 OR { 2744} (( segid " " and resid 1005 and name HB2 )) (( segid " " and resid 1005 and name HG3 )) OR { 2744} (( segid " " and resid 943 and name HB2 )) (( segid " " and resid 943 and name HD3 )) OR { 2744} (( segid " " and resid 922 and name HB3 )) (( segid " " and resid 922 and name HG3 )) OR { 2744} (( segid " " and resid 1005 and name HB3 )) (( segid " " and resid 1005 and name HG3 )) ASSI { 3485} ( segid " " and resid 994 and name HD2%) (( segid " " and resid 994 and name HA )) 2.000 0.500 0.500 peak 3485 spectrum 1 weight 0.10000E+01 volume 0.13301E-01 ppm1 0.918 ppm2 3.810 CV 1 OR { 3485} ( segid " " and resid 994 and name HD2%) (( segid " " and resid 1035 and name HA )) ASSI { 2944} ( segid " " and resid 966 and name HD1%) (( segid " " and resid 967 and name H )) 3.600 1.700 1.700 peak 2944 spectrum 1 weight 0.10000E+01 volume 0.15887E-02 ppm1 -0.046 ppm2 8.223 CV 1 OR { 2944} ( segid " " and resid 966 and name HD1%) (( segid " " and resid 924 and name H )) ASSI { 1062} (( segid " " and resid 1005 and name HD2 )) (( segid " " and resid 1002 and name HA )) 3.000 1.100 1.100 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.28582E-02 ppm1 1.615 ppm2 4.001 CV 1 OR { 1062} (( segid " " and resid 1025 and name HD2 )) (( segid " " and resid 1025 and name HA )) OR { 1062} (( segid " " and resid 1025 and name HD3 )) (( segid " " and resid 1025 and name HA )) OR { 1062} (( segid " " and resid 1005 and name HD3 )) (( segid " " and resid 1002 and name HA )) OR { 1062} (( segid " " and resid 1025 and name HD3 )) (( segid " " and resid 1022 and name HA )) ASSI { 90} ( segid " " and resid 1024 and name HB% ) (( segid " " and resid 1005 and name HA )) 3.100 1.200 1.200 peak 90 spectrum 1 weight 0.10000E+01 volume 0.19111E-02 ppm1 1.452 ppm2 3.796 CV 1 OR { 90} ( segid " " and resid 920 and name HB% ) (( segid " " and resid 921 and name HA )) ASSI { 1020} ( segid " " and resid 988 and name HB% ) (( segid " " and resid 987 and name HB )) 3.000 1.100 1.100 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.23141E-02 ppm1 1.442 ppm2 1.852 CV 1 OR { 1020} ( segid " " and resid 920 and name HB% ) (( segid " " and resid 916 and name HB3 )) OR { 1020} ( segid " " and resid 920 and name HB% ) (( segid " " and resid 916 and name HB2 )) ASSI { 2113} (( segid " " and resid 991 and name HA )) (( segid " " and resid 992 and name H )) 3.300 1.400 1.400 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.10748E-02 ppm1 4.001 ppm2 8.330 CV 1 OR { 2113} (( segid " " and resid 991 and name HA )) (( segid " " and resid 995 and name H )) ASSI { 292} ( segid " " and resid 941 and name HB% ) (( segid " " and resid 941 and name H )) 2.500 0.800 0.800 peak 292 spectrum 1 weight 0.10000E+01 volume 0.71538E-02 ppm1 1.281 ppm2 7.743 CV 1 OR { 292} ( segid " " and resid 1041 and name HB% ) (( segid " " and resid 1042 and name H )) ASSI { 1335} (( segid " " and resid 957 and name HA )) (( segid " " and resid 957 and name H )) 2.600 0.900 0.900 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.42219E-02 ppm1 3.932 ppm2 7.583 CV 1 OR { 1335} (( segid " " and resid 916 and name HA )) (( segid " " and resid 917 and name H )) OR { 1335} (( segid " " and resid 957 and name HA )) (( segid " " and resid 958 and name H )) ASSI { 192} (( segid " " and resid 1040 and name HG3 )) (( segid " " and resid 1040 and name HE2 )) 2.800 1.000 1.000 peak 192 spectrum 1 weight 0.10000E+01 volume 0.18775E-02 ppm1 1.503 ppm2 2.830 CV 1 OR { 192} (( segid " " and resid 999 and name HG3 )) (( segid " " and resid 999 and name HE2 )) OR { 192} (( segid " " and resid 999 and name HG3 )) (( segid " " and resid 999 and name HE3 )) ASSI { 1939} ( segid " " and resid 959 and name HG1%) (( segid " " and resid 963 and name H )) 3.300 1.300 1.300 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.33251E-02 ppm1 0.846 ppm2 7.923 CV 1 OR { 1939} ( segid " " and resid 967 and name HG2%) (( segid " " and resid 966 and name H )) OR { 1939} ( segid " " and resid 965 and name HD2%) (( segid " " and resid 966 and name H )) ASSI { 3092} (( segid " " and resid 917 and name HB2 )) (( segid " " and resid 917 and name HG )) 2.900 1.000 1.000 peak 3092 spectrum 1 weight 0.10000E+01 volume 0.20454E-02 ppm1 2.168 ppm2 1.310 CV 1 OR { 3092} (( segid " " and resid 917 and name HB2 )) ( segid " " and resid 1037 and name HB% ) ASSI { 1719} (( segid " " and resid 1021 and name HB2 )) (( segid " " and resid 1021 and name H )) 2.400 0.700 0.700 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.73254E-02 ppm1 4.082 ppm2 8.394 CV 1 OR { 1719} (( segid " " and resid 1021 and name HB2 )) (( segid " " and resid 1022 and name H )) ASSI { 761} (( segid " " and resid 1001 and name HA )) (( segid " " and resid 1027 and name HB3 )) 3.800 1.800 1.800 peak 761 spectrum 1 weight 0.10000E+01 volume 0.76578E-03 ppm1 3.278 ppm2 1.347 CV 1 OR { 761} (( segid " " and resid 1001 and name HA )) (( segid " " and resid 1027 and name HG )) OR { 761} (( segid " " and resid 1001 and name HA )) (( segid " " and resid 1005 and name HG2 )) ASSI { 1282} ( segid " " and resid 1003 and name HB% ) (( segid " " and resid 1000 and name HG2 )) 3.200 1.300 1.300 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.16458E-02 ppm1 1.324 ppm2 2.338 CV 1 OR { 1282} ( segid " " and resid 1041 and name HB% ) (( segid " " and resid 1042 and name HG3 )) ASSI { 2189} ( segid " " and resid 1034 and name HD1%) (( segid " " and resid 1033 and name HG3 )) 3.400 1.400 1.400 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.92697E-03 ppm1 0.823 ppm2 2.348 CV 1 OR { 2189} ( segid " " and resid 1020 and name HD2%) (( segid " " and resid 1019 and name HG3 )) OR { 2189} ( segid " " and resid 1020 and name HD2%) (( segid " " and resid 1019 and name HG2 )) ASSI { 1303} ( segid " " and resid 967 and name HG2%) (( segid " " and resid 964 and name HB3 )) 2.700 2.700 3.300 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.16424E-02 ppm1 0.839 ppm2 2.272 CV 1 OR { 1303} ( segid " " and resid 965 and name HD2%) (( segid " " and resid 964 and name HB3 )) ASSI { 3127} (( segid " " and resid 986 and name HG )) ( segid " " and resid 986 and name HD1%) 2.400 0.700 0.700 peak 3127 spectrum 1 weight 0.10000E+01 volume 0.52463E-02 ppm1 1.293 ppm2 0.856 CV 1 OR { 3127} (( segid " " and resid 917 and name HG )) ( segid " " and resid 917 and name HD2%) ASSI { 3421} ( segid " " and resid 921 and name HB% ) (( segid " " and resid 966 and name HB3 )) 3.300 1.300 1.300 peak 3421 spectrum 1 weight 0.10000E+01 volume 0.93373E-03 ppm1 1.174 ppm2 1.594 CV 1 OR { 3421} ( segid " " and resid 921 and name HB% ) (( segid " " and resid 922 and name HD3 )) ASSI { 2660} (( segid " " and resid 1025 and name HE2 )) (( segid " " and resid 1025 and name HD2 )) 2.100 0.500 0.500 peak 2660 spectrum 1 weight 0.10000E+01 volume 0.15826E-01 ppm1 2.885 ppm2 1.603 CV 1 OR { 2660} (( segid " " and resid 957 and name HE2 )) (( segid " " and resid 957 and name HD2 )) OR { 2660} (( segid " " and resid 1025 and name HE3 )) (( segid " " and resid 1025 and name HD3 )) OR { 2660} (( segid " " and resid 957 and name HE2 )) (( segid " " and resid 957 and name HD3 )) OR { 2660} (( segid " " and resid 957 and name HE3 )) (( segid " " and resid 957 and name HD2 )) OR { 2660} (( segid " " and resid 957 and name HE3 )) (( segid " " and resid 957 and name HD3 )) OR { 2660} (( segid " " and resid 1025 and name HE2 )) (( segid " " and resid 1025 and name HD3 )) ASSI { 455} (( segid " " and resid 987 and name HA )) (( segid " " and resid 917 and name HG )) 3.700 1.700 1.700 peak 455 spectrum 1 weight 0.10000E+01 volume 0.10177E-02 ppm1 3.361 ppm2 1.302 CV 1 OR { 455} (( segid " " and resid 987 and name HA )) ( segid " " and resid 1041 and name HB% ) ASSI { 3120} ( segid " " and resid 1034 and name HD2%) (( segid " " and resid 1031 and name HA )) 3.300 1.300 1.300 peak 3120 spectrum 1 weight 0.10000E+01 volume 0.17936E-02 ppm1 0.896 ppm2 4.042 CV 1 OR { 3120} ( segid " " and resid 986 and name HD1%) (( segid " " and resid 986 and name HA )) ASSI { 3176} (( segid " " and resid 1014 and name HA )) (( segid " " and resid 1014 and name HB3 )) 2.100 0.500 0.500 peak 3176 spectrum 1 weight 0.10000E+01 volume 0.16844E-01 ppm1 3.960 ppm2 2.062 CV 1 OR { 3176} (( segid " " and resid 1014 and name HA )) (( segid " " and resid 1014 and name HB2 )) OR { 3176} (( segid " " and resid 954 and name HA )) (( segid " " and resid 954 and name HB3 )) OR { 3176} (( segid " " and resid 954 and name HA )) (( segid " " and resid 954 and name HB2 )) ASSI { 1257} ( segid " " and resid 966 and name HD2%) (( segid " " and resid 993 and name HB2 )) 2.900 1.000 1.000 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.24989E-02 ppm1 0.489 ppm2 3.387 CV 1 OR { 1257} ( segid " " and resid 966 and name HD2%) (( segid " " and resid 990 and name HB3 )) ASSI { 2038} (( segid " " and resid 1043 and name HB2 )) (( segid " " and resid 1040 and name HA )) 3.600 1.600 1.600 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.10546E-02 ppm1 1.924 ppm2 3.966 CV 1 OR { 2038} (( segid " " and resid 1043 and name HB2 )) (( segid " " and resid 1044 and name HA )) ASSI { 1888} ( segid " " and resid 938 and name HB% ) (( segid " " and resid 1020 and name H )) 3.500 1.500 1.500 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.15181E-02 ppm1 1.359 ppm2 7.948 CV 1 OR { 1888} ( segid " " and resid 938 and name HB% ) (( segid " " and resid 1016 and name H )) ASSI { 3400} (( segid " " and resid 1022 and name HG2 )) (( segid " " and resid 1022 and name HB3 )) 2.100 0.600 0.600 peak 3400 spectrum 1 weight 0.10000E+01 volume 0.13169E-01 ppm1 2.405 ppm2 2.216 CV 1 OR { 3400} (( segid " " and resid 930 and name HG3 )) (( segid " " and resid 930 and name HB3 )) OR { 3400} (( segid " " and resid 1022 and name HG3 )) (( segid " " and resid 1022 and name HB3 )) ASSI { 3447} (( segid " " and resid 950 and name HG3 )) (( segid " " and resid 950 and name HA )) 3.300 1.400 1.400 peak 3447 spectrum 1 weight 0.10000E+01 volume 0.26030E-02 ppm1 1.925 ppm2 4.243 CV 1 OR { 3447} (( segid " " and resid 964 and name HG3 )) (( segid " " and resid 964 and name HA )) ASSI { 1161} (( segid " " and resid 952 and name HA )) ( segid " " and resid 1003 and name HB% ) 2.400 0.700 0.700 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.58172E-02 ppm1 3.899 ppm2 1.330 CV 1 OR { 1161} (( segid " " and resid 966 and name HA )) (( segid " " and resid 966 and name HB2 )) ASSI { 3008} (( segid " " and resid 991 and name HB2 )) (( segid " " and resid 992 and name H )) 2.600 0.900 0.900 peak 3008 spectrum 1 weight 0.10000E+01 volume 0.30195E-02 ppm1 2.129 ppm2 8.323 CV 1 OR { 3008} (( segid " " and resid 1039 and name HB2 )) (( segid " " and resid 1040 and name H )) ASSI { 471} (( segid " " and resid 994 and name HG )) (( segid " " and resid 994 and name HA )) 3.600 1.700 1.700 peak 471 spectrum 1 weight 0.10000E+01 volume 0.63478E-03 ppm1 2.304 ppm2 3.807 CV 1 OR { 471} (( segid " " and resid 994 and name HG )) (( segid " " and resid 1035 and name HA )) ASSI { 3535} ( segid " " and resid 982 and name HB% ) (( segid " " and resid 973 and name HB2 )) 3.700 1.800 1.800 peak 3535 spectrum 1 weight 0.10000E+01 volume 0.94718E-03 ppm1 1.455 ppm2 3.565 CV 1 OR { 3535} ( segid " " and resid 1006 and name HB% ) (( segid " " and resid 1009 and name HD2 )) ASSI { 2802} (( segid " " and resid 970 and name HB )) ( segid " " and resid 970 and name HG2%) 2.500 0.800 0.800 peak 2802 spectrum 1 weight 0.10000E+01 volume 0.39867E-02 ppm1 2.172 ppm2 0.900 CV 1 OR { 2802} (( segid " " and resid 1001 and name HB )) ( segid " " and resid 1001 and name HG1%) ASSI { 2987} ( segid " " and resid 917 and name HD2%) (( segid " " and resid 990 and name HB2 )) 3.200 1.300 1.300 peak 2987 spectrum 1 weight 0.10000E+01 volume 0.26466E-02 ppm1 0.820 ppm2 4.137 CV 1 OR { 2987} ( segid " " and resid 1034 and name HD1%) (( segid " " and resid 990 and name HB2 )) ASSI { 291} (( segid " " and resid 914 and name HB )) ( segid " " and resid 914 and name HG2%) 2.400 0.700 0.700 peak 291 spectrum 1 weight 0.10000E+01 volume 0.64118E-02 ppm1 1.924 ppm2 0.795 CV 1 OR { 291} (( segid " " and resid 967 and name HB )) ( segid " " and resid 967 and name HG1%) ASSI { 1200} (( segid " " and resid 1004 and name HA )) (( segid " " and resid 1003 and name HA )) 3.800 1.800 1.800 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.64154E-03 ppm1 3.843 ppm2 4.049 CV 1 OR { 1200} (( segid " " and resid 924 and name HA )) (( segid " " and resid 923 and name HA )) OR { 1200} (( segid " " and resid 1017 and name HA )) (( segid " " and resid 1021 and name HB3 )) ASSI { 381} (( segid " " and resid 1002 and name HA )) (( segid " " and resid 1003 and name H )) 3.300 1.400 1.400 peak 381 spectrum 1 weight 0.10000E+01 volume 0.11285E-02 ppm1 3.954 ppm2 8.323 CV 1 OR { 381} (( segid " " and resid 1037 and name HA )) (( segid " " and resid 1040 and name H )) ASSI { 881} (( segid " " and resid 952 and name HG )) ( segid " " and resid 952 and name HD1%) 2.500 0.800 0.800 peak 881 spectrum 1 weight 0.10000E+01 volume 0.43596E-02 ppm1 1.368 ppm2 0.818 CV 1 OR { 881} (( segid " " and resid 1027 and name HG )) ( segid " " and resid 1027 and name HD2%) OR { 881} (( segid " " and resid 1020 and name HG )) ( segid " " and resid 1020 and name HD2%) ASSI { 3207} (( segid " " and resid 1038 and name HA )) (( segid " " and resid 987 and name HG12)) 3.000 1.100 1.100 peak 3207 spectrum 1 weight 0.10000E+01 volume 0.10949E-02 ppm1 3.956 ppm2 1.732 CV 1 OR { 3207} (( segid " " and resid 1037 and name HA )) (( segid " " and resid 1040 and name HB2 )) ASSI { 1642} (( segid " " and resid 1022 and name HG3 )) (( segid " " and resid 1023 and name H )) 2.900 1.100 1.100 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.64686E-02 ppm1 2.403 ppm2 8.387 CV 1 OR { 1642} (( segid " " and resid 1022 and name HG2 )) (( segid " " and resid 1023 and name H )) OR { 1642} (( segid " " and resid 1022 and name HG2 )) (( segid " " and resid 1022 and name H )) OR { 1642} (( segid " " and resid 1022 and name HG3 )) (( segid " " and resid 1022 and name H )) ASSI { 1246} ( segid " " and resid 959 and name HG1%) (( segid " " and resid 962 and name H )) 3.500 1.500 1.500 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.13099E-02 ppm1 0.848 ppm2 7.467 CV 1 OR { 1246} ( segid " " and resid 959 and name HG1%) (( segid " " and resid 961 and name H )) ASSI { 154} ( segid " " and resid 917 and name HD1%) (( segid " " and resid 1038 and name H )) 3.700 1.700 1.700 peak 154 spectrum 1 weight 0.10000E+01 volume 0.84972E-03 ppm1 0.698 ppm2 8.740 CV 1 OR { 154} ( segid " " and resid 917 and name HD1%) (( segid " " and resid 918 and name H )) ASSI { 3196} (( segid " " and resid 1019 and name HB3 )) (( segid " " and resid 1019 and name HG3 )) 2.300 0.600 0.600 peak 3196 spectrum 1 weight 0.10000E+01 volume 0.89881E-02 ppm1 2.120 ppm2 2.364 CV 1 OR { 3196} (( segid " " and resid 1019 and name HB3 )) (( segid " " and resid 1019 and name HG2 )) OR { 3196} (( segid " " and resid 968 and name HB2 )) (( segid " " and resid 968 and name HG2 )) ASSI { 137} (( segid " " and resid 1022 and name HB2 )) (( segid " " and resid 1022 and name HG3 )) 2.400 0.700 0.700 peak 137 spectrum 1 weight 0.10000E+01 volume 0.88165E-02 ppm1 2.105 ppm2 2.395 CV 1 OR { 137} (( segid " " and resid 1022 and name HB2 )) (( segid " " and resid 1022 and name HG2 )) OR { 137} (( segid " " and resid 1012 and name HB3 )) (( segid " " and resid 1012 and name HG3 )) ASSI { 3332} ( segid " " and resid 1015 and name HB% ) (( segid " " and resid 1015 and name HA )) 1.800 0.400 0.400 peak 3332 spectrum 1 weight 0.10000E+01 volume 0.44026E-01 ppm1 1.437 ppm2 4.121 CV 1 OR { 3332} ( segid " " and resid 933 and name HB% ) (( segid " " and resid 933 and name HA )) ASSI { 3388} (( segid " " and resid 977 and name HD3 )) (( segid " " and resid 977 and name HG3 )) 2.500 0.800 0.800 peak 3388 spectrum 1 weight 0.10000E+01 volume 0.35266E-02 ppm1 3.542 ppm2 1.853 CV 1 OR { 3388} (( segid " " and resid 942 and name HD3 )) (( segid " " and resid 942 and name HB3 )) ASSI { 2792} (( segid " " and resid 974 and name HB3 )) (( segid " " and resid 974 and name HA )) 2.100 0.600 0.600 peak 2792 spectrum 1 weight 0.10000E+01 volume 0.13804E-01 ppm1 2.064 ppm2 3.960 CV 1 OR { 2792} (( segid " " and resid 1012 and name HB3 )) (( segid " " and resid 1012 and name HA )) OR { 2792} (( segid " " and resid 1014 and name HB3 )) (( segid " " and resid 1014 and name HA )) OR { 2792} (( segid " " and resid 1014 and name HB2 )) (( segid " " and resid 1014 and name HA )) OR { 2792} (( segid " " and resid 954 and name HB3 )) (( segid " " and resid 954 and name HA )) ASSI { 567} (( segid " " and resid 965 and name HA )) (( segid " " and resid 968 and name HG2 )) 4.000 2.000 2.000 peak 567 spectrum 1 weight 0.10000E+01 volume 0.69864E-03 ppm1 4.030 ppm2 2.360 CV 1 OR { 567} (( segid " " and resid 1031 and name HA )) (( segid " " and resid 1033 and name HG2 )) OR { 567} (( segid " " and resid 1031 and name HA )) (( segid " " and resid 1033 and name HG3 )) ASSI { 2690} (( segid " " and resid 922 and name HB2 )) ( segid " " and resid 921 and name HB% ) 3.600 1.700 1.700 peak 2690 spectrum 1 weight 0.10000E+01 volume 0.12259E-02 ppm1 1.790 ppm2 1.179 CV 1 OR { 2690} (( segid " " and resid 1009 and name HB2 )) ( segid " " and resid 1010 and name HG2%) ASSI { 1299} (( segid " " and resid 936 and name HG3 )) (( segid " " and resid 936 and name HA )) 2.600 0.900 0.900 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.62910E-02 ppm1 2.350 ppm2 3.952 CV 1 OR { 1299} (( segid " " and resid 968 and name HG2 )) (( segid " " and resid 968 and name HA )) OR { 1299} (( segid " " and resid 1014 and name HG2 )) (( segid " " and resid 1014 and name HA )) OR { 1299} (( segid " " and resid 954 and name HG3 )) (( segid " " and resid 954 and name HA )) ASSI { 1237} (( segid " " and resid 1000 and name HG3 )) ( segid " " and resid 1027 and name HD2%) 3.600 1.600 1.600 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.18272E-02 ppm1 2.172 ppm2 0.826 CV 1 OR { 1237} (( segid " " and resid 1000 and name HG3 )) ( segid " " and resid 952 and name HD1%) ASSI { 3168} ( segid " " and resid 1011 and name HG2%) (( segid " " and resid 1011 and name HG13)) 2.600 0.800 0.800 peak 3168 spectrum 1 weight 0.10000E+01 volume 0.99417E-02 ppm1 0.950 ppm2 1.493 CV 1 OR { 3168} ( segid " " and resid 1011 and name HG2%) ( segid " " and resid 1017 and name HB% ) ASSI { 1846} (( segid " " and resid 1022 and name HB3 )) (( segid " " and resid 1022 and name H )) 2.300 0.700 0.700 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.60925E-02 ppm1 2.219 ppm2 8.386 CV 1 OR { 1846} (( segid " " and resid 1022 and name HB3 )) (( segid " " and resid 1023 and name H )) ASSI { 3305} ( segid " " and resid 959 and name HG1%) (( segid " " and resid 959 and name HB )) 2.100 0.600 0.600 peak 3305 spectrum 1 weight 0.10000E+01 volume 0.11007E-01 ppm1 0.845 ppm2 2.059 CV 1 OR { 3305} ( segid " " and resid 965 and name HD2%) (( segid " " and resid 965 and name HB3 )) ASSI { 2324} (( segid " " and resid 1005 and name HD2 )) (( segid " " and resid 1005 and name HB2 )) 2.300 0.700 0.700 peak 2324 spectrum 1 weight 0.10000E+01 volume 0.75436E-02 ppm1 1.585 ppm2 1.814 CV 1 OR { 2324} (( segid " " and resid 1005 and name HD3 )) (( segid " " and resid 1005 and name HB3 )) OR { 2324} (( segid " " and resid 922 and name HD2 )) (( segid " " and resid 922 and name HB3 )) OR { 2324} (( segid " " and resid 999 and name HD3 )) (( segid " " and resid 999 and name HB2 )) OR { 2324} (( segid " " and resid 999 and name HD3 )) (( segid " " and resid 999 and name HB3 )) OR { 2324} (( segid " " and resid 922 and name HD2 )) (( segid " " and resid 922 and name HB2 )) OR { 2324} (( segid " " and resid 1005 and name HD2 )) (( segid " " and resid 1005 and name HB3 )) OR { 2324} (( segid " " and resid 1005 and name HD3 )) (( segid " " and resid 1005 and name HB2 )) ASSI { 2936} (( segid " " and resid 1014 and name HB3 )) (( segid " " and resid 1014 and name HG2 )) 2.300 0.700 0.700 peak 2936 spectrum 1 weight 0.10000E+01 volume 0.89678E-02 ppm1 2.064 ppm2 2.391 CV 1 OR { 2936} (( segid " " and resid 954 and name HB2 )) (( segid " " and resid 954 and name HG2 )) OR { 2936} (( segid " " and resid 954 and name HB3 )) (( segid " " and resid 954 and name HG2 )) OR { 2936} (( segid " " and resid 1012 and name HB3 )) (( segid " " and resid 1012 and name HG3 )) ASSI { 3534} ( segid " " and resid 994 and name HD1%) (( segid " " and resid 995 and name H )) 2.900 1.100 1.100 peak 3534 spectrum 1 weight 0.10000E+01 volume 0.96392E-03 ppm1 0.934 ppm2 8.333 CV 1 OR { 3534} ( segid " " and resid 994 and name HD1%) (( segid " " and resid 992 and name H )) ASSI { 2717} ( segid " " and resid 1031 and name HD2%) (( segid " " and resid 1031 and name H )) 3.200 1.300 1.300 peak 2717 spectrum 1 weight 0.10000E+01 volume 0.32882E-02 ppm1 0.942 ppm2 9.205 CV 1 OR { 2717} ( segid " " and resid 1027 and name HD1%) (( segid " " and resid 1031 and name H )) ASSI { 2766} (( segid " " and resid 1005 and name HE3 )) (( segid " " and resid 1001 and name HB )) 3.500 1.500 1.500 peak 2766 spectrum 1 weight 0.10000E+01 volume 0.83633E-03 ppm1 2.836 ppm2 2.162 CV 1 OR { 2766} (( segid " " and resid 999 and name HE3 )) (( segid " " and resid 995 and name HB3 )) ASSI { 499} (( segid " " and resid 922 and name HB2 )) (( segid " " and resid 922 and name H )) 2.300 0.700 0.700 peak 499 spectrum 1 weight 0.10000E+01 volume 0.58374E-02 ppm1 1.816 ppm2 8.132 CV 1 OR { 499} (( segid " " and resid 922 and name HB2 )) (( segid " " and resid 923 and name H )) OR { 499} (( segid " " and resid 922 and name HB3 )) (( segid " " and resid 922 and name H )) ASSI { 3246} (( segid " " and resid 1043 and name HB3 )) (( segid " " and resid 1043 and name H )) 3.100 1.200 1.200 peak 3246 spectrum 1 weight 0.10000E+01 volume 0.19346E-02 ppm1 2.076 ppm2 7.529 CV 1 OR { 3246} (( segid " " and resid 1042 and name HB2 )) (( segid " " and resid 1043 and name H )) ASSI { 2581} (( segid " " and resid 986 and name HG )) (( segid " " and resid 986 and name HA )) 3.400 1.400 1.400 peak 2581 spectrum 1 weight 0.10000E+01 volume 0.77588E-03 ppm1 1.301 ppm2 4.041 CV 1 OR { 2581} (( segid " " and resid 917 and name HG )) (( segid " " and resid 917 and name HA )) ASSI { 2046} (( segid " " and resid 1009 and name HD2 )) (( segid " " and resid 1009 and name HG2 )) 2.200 0.600 0.600 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.93271E-02 ppm1 3.549 ppm2 1.919 CV 1 OR { 2046} (( segid " " and resid 1009 and name HD3 )) (( segid " " and resid 1009 and name HG3 )) OR { 2046} (( segid " " and resid 948 and name HD3 )) (( segid " " and resid 948 and name HG3 )) OR { 2046} (( segid " " and resid 1009 and name HD2 )) (( segid " " and resid 1009 and name HG3 )) OR { 2046} (( segid " " and resid 950 and name HD2 )) (( segid " " and resid 950 and name HG3 )) OR { 2046} (( segid " " and resid 948 and name HD3 )) (( segid " " and resid 948 and name HG2 )) OR { 2046} (( segid " " and resid 977 and name HD3 )) (( segid " " and resid 977 and name HG2 )) ASSI { 136} (( segid " " and resid 960 and name HA )) (( segid " " and resid 961 and name H )) 3.000 1.200 1.200 peak 136 spectrum 1 weight 0.10000E+01 volume 0.16894E-02 ppm1 3.928 ppm2 7.466 CV 1 OR { 136} (( segid " " and resid 960 and name HA )) (( segid " " and resid 962 and name H )) ASSI { 1092} (( segid " " and resid 985 and name HA )) (( segid " " and resid 984 and name HB3 )) 3.700 1.700 1.700 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.66838E-03 ppm1 4.184 ppm2 1.560 CV 1 OR { 1092} (( segid " " and resid 989 and name HA )) (( segid " " and resid 965 and name HB2 )) ASSI { 990} (( segid " " and resid 968 and name HA )) (( segid " " and resid 968 and name H )) 2.300 0.700 0.700 peak 990 spectrum 1 weight 0.10000E+01 volume 0.81720E-02 ppm1 3.954 ppm2 8.190 CV 1 OR { 990} (( segid " " and resid 974 and name HA )) (( segid " " and resid 974 and name H )) ASSI { 2670} (( segid " " and resid 1033 and name HG2 )) (( segid " " and resid 1030 and name HA )) 2.600 0.800 0.800 peak 2670 spectrum 1 weight 0.10000E+01 volume 0.56258E-02 ppm1 2.345 ppm2 4.163 CV 1 OR { 2670} (( segid " " and resid 1033 and name HG2 )) (( segid " " and resid 1033 and name HA )) OR { 2670} (( segid " " and resid 1033 and name HG3 )) (( segid " " and resid 1033 and name HA )) ASSI { 20} (( segid " " and resid 913 and name HA )) (( segid " " and resid 912 and name HA )) 3.700 1.700 1.700 peak 20 spectrum 1 weight 0.10000E+01 volume 0.77588E-03 ppm1 3.927 ppm2 4.204 CV 1 OR { 20} (( segid " " and resid 952 and name HA )) (( segid " " and resid 1000 and name HA )) ASSI { 326} (( segid " " and resid 923 and name HA )) (( segid " " and resid 926 and name H )) 3.000 1.100 1.100 peak 326 spectrum 1 weight 0.10000E+01 volume 0.24350E-02 ppm1 4.062 ppm2 7.905 CV 1 OR { 326} (( segid " " and resid 961 and name HA )) (( segid " " and resid 963 and name H )) ASSI { 709} (( segid " " and resid 996 and name HG2 )) (( segid " " and resid 996 and name HG3 )) 1.900 0.400 0.400 peak 709 spectrum 1 weight 0.10000E+01 volume 0.11114E-01 ppm1 1.924 ppm2 1.774 CV 1 OR { 709} (( segid " " and resid 1009 and name HG3 )) (( segid " " and resid 1009 and name HB2 )) OR { 709} (( segid " " and resid 1009 and name HG2 )) (( segid " " and resid 1009 and name HB2 )) ASSI { 1917} (( segid " " and resid 957 and name HE3 )) (( segid " " and resid 957 and name HB3 )) 3.300 1.400 1.400 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.14879E-02 ppm1 2.876 ppm2 1.850 CV 1 OR { 1917} (( segid " " and resid 957 and name HE3 )) (( segid " " and resid 957 and name HB2 )) OR { 1917} (( segid " " and resid 1040 and name HE3 )) (( segid " " and resid 1040 and name HB3 )) OR { 1917} (( segid " " and resid 957 and name HE2 )) (( segid " " and resid 957 and name HB3 )) ASSI { 146} (( segid " " and resid 959 and name HA )) (( segid " " and resid 959 and name HB )) 3.000 1.100 1.100 peak 146 spectrum 1 weight 0.10000E+01 volume 0.27407E-02 ppm1 3.392 ppm2 2.067 CV 1 OR { 146} (( segid " " and resid 959 and name HA )) (( segid " " and resid 962 and name HB3 )) ASSI { 985} (( segid " " and resid 1031 and name HA )) ( segid " " and resid 1030 and name HB% ) 3.100 1.200 1.200 peak 985 spectrum 1 weight 0.10000E+01 volume 0.18808E-02 ppm1 4.063 ppm2 1.498 CV 1 OR { 985} (( segid " " and resid 961 and name HA )) ( segid " " and resid 960 and name HB% ) ASSI { 3249} ( segid " " and resid 924 and name HB% ) (( segid " " and resid 926 and name H )) 3.800 1.800 1.800 peak 3249 spectrum 1 weight 0.10000E+01 volume 0.10412E-02 ppm1 1.275 ppm2 7.916 CV 1 OR { 3249} ( segid " " and resid 1004 and name HB% ) (( segid " " and resid 1001 and name H )) ASSI { 1051} ( segid " " and resid 1006 and name HB% ) (( segid " " and resid 1006 and name HA )) 1.900 0.500 0.500 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.25062E-01 ppm1 1.417 ppm2 4.112 CV 1 OR { 1051} ( segid " " and resid 926 and name HB% ) (( segid " " and resid 926 and name HA )) ASSI { 2808} (( segid " " and resid 1011 and name HB )) ( segid " " and resid 1017 and name HB% ) 2.500 0.800 0.800 peak 2808 spectrum 1 weight 0.10000E+01 volume 0.36946E-02 ppm1 1.848 ppm2 1.493 CV 1 OR { 2808} (( segid " " and resid 1011 and name HB )) (( segid " " and resid 1011 and name HG13)) ASSI { 1044} ( segid " " and resid 1041 and name HB% ) (( segid " " and resid 987 and name HG12)) 2.700 0.900 0.900 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.28818E-02 ppm1 1.311 ppm2 1.723 CV 1 OR { 1044} ( segid " " and resid 1037 and name HB% ) (( segid " " and resid 916 and name HG2 )) ASSI { 2058} ( segid " " and resid 952 and name HD1%) (( segid " " and resid 1007 and name H )) 3.800 1.800 1.800 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.77588E-03 ppm1 0.830 ppm2 7.630 CV 1 OR { 2058} ( segid " " and resid 913 and name HD1%) (( segid " " and resid 1041 and name H )) ASSI { 3544} ( segid " " and resid 1020 and name HD1%) (( segid " " and resid 935 and name HA )) 2.700 0.900 0.900 peak 3544 spectrum 1 weight 0.10000E+01 volume 0.38087E-02 ppm1 0.754 ppm2 3.883 CV 1 OR { 3544} ( segid " " and resid 1020 and name HD1%) (( segid " " and resid 1004 and name HA )) ASSI { 2215} (( segid " " and resid 964 and name HA )) (( segid " " and resid 964 and name HB3 )) 2.200 0.600 0.600 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.98610E-02 ppm1 4.243 ppm2 2.270 CV 1 OR { 2215} (( segid " " and resid 950 and name HA )) (( segid " " and resid 950 and name HB2 )) ASSI { 1940} (( segid " " and resid 936 and name HA )) ( segid " " and resid 939 and name HB% ) 2.600 0.900 0.900 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.43428E-02 ppm1 3.947 ppm2 1.325 CV 1 OR { 1940} (( segid " " and resid 936 and name HA )) ( segid " " and resid 935 and name HB% ) ASSI { 458} (( segid " " and resid 961 and name HG3 )) (( segid " " and resid 961 and name HG2 )) 1.700 0.400 0.500 peak 458 spectrum 1 weight 0.10000E+01 volume 0.20172E-01 ppm1 2.240 ppm2 2.428 CV 1 OR { 458} (( segid " " and resid 1043 and name HG2 )) (( segid " " and resid 1043 and name HG3 )) ASSI { 1027} (( segid " " and resid 962 and name HB3 )) (( segid " " and resid 993 and name HB2 )) 3.600 1.700 1.700 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.91358E-03 ppm1 2.075 ppm2 3.392 CV 1 OR { 1027} (( segid " " and resid 962 and name HB3 )) (( segid " " and resid 959 and name HA )) ASSI { 1244} (( segid " " and resid 936 and name HA )) (( segid " " and resid 936 and name HB3 )) 2.200 0.600 0.600 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.92027E-02 ppm1 3.951 ppm2 2.012 CV 1 OR { 1244} (( segid " " and resid 974 and name HA )) (( segid " " and resid 974 and name HB3 )) OR { 1244} (( segid " " and resid 968 and name HA )) (( segid " " and resid 968 and name HB3 )) ASSI { 900} (( segid " " and resid 1017 and name HA )) (( segid " " and resid 1008 and name HA )) 3.300 1.400 1.400 peak 900 spectrum 1 weight 0.10000E+01 volume 0.85648E-03 ppm1 3.866 ppm2 3.653 CV 1 OR { 900} (( segid " " and resid 1004 and name HA )) (( segid " " and resid 1007 and name HB2 )) ASSI { 758} (( segid " " and resid 935 and name HA )) ( segid " " and resid 1020 and name HD2%) 2.500 0.800 0.800 peak 758 spectrum 1 weight 0.10000E+01 volume 0.54579E-02 ppm1 3.893 ppm2 0.820 CV 1 OR { 758} (( segid " " and resid 1004 and name HA )) ( segid " " and resid 952 and name HD1%) OR { 758} (( segid " " and resid 960 and name HA )) ( segid " " and resid 932 and name HD1%) ASSI { 667} (( segid " " and resid 962 and name HA )) (( segid " " and resid 962 and name HB3 )) 2.500 0.800 0.800 peak 667 spectrum 1 weight 0.10000E+01 volume 0.38994E-02 ppm1 4.366 ppm2 2.073 CV 1 OR { 667} (( segid " " and resid 962 and name HA )) (( segid " " and resid 965 and name HB3 )) ASSI { 541} (( segid " " and resid 980 and name HB2 )) (( segid " " and resid 980 and name HA )) 2.600 0.900 0.900 peak 541 spectrum 1 weight 0.10000E+01 volume 0.48970E-02 ppm1 1.939 ppm2 4.249 CV 1 OR { 541} (( segid " " and resid 967 and name HB )) (( segid " " and resid 964 and name HA )) ASSI { 3453} ( segid " " and resid 1041 and name HB% ) (( segid " " and resid 987 and name HA )) 3.400 1.500 1.500 peak 3453 spectrum 1 weight 0.10000E+01 volume 0.98072E-03 ppm1 1.309 ppm2 3.368 CV 1 OR { 3453} ( segid " " and resid 924 and name HB% ) (( segid " " and resid 993 and name HB2 )) ASSI { 3243} ( segid " " and resid 925 and name HB% ) ( segid " " and resid 963 and name HG2%) 2.000 0.500 0.500 peak 3243 spectrum 1 weight 0.10000E+01 volume 0.16437E-01 ppm1 1.231 ppm2 0.845 CV 1 OR { 3243} ( segid " " and resid 925 and name HB% ) ( segid " " and resid 967 and name HG2%) ASSI { 164} (( segid " " and resid 954 and name HG2 )) (( segid " " and resid 954 and name H )) 3.100 1.200 1.200 peak 164 spectrum 1 weight 0.10000E+01 volume 0.31572E-02 ppm1 2.394 ppm2 8.194 CV 1 OR { 164} (( segid " " and resid 968 and name HG3 )) (( segid " " and resid 968 and name H )) OR { 164} (( segid " " and resid 968 and name HG2 )) (( segid " " and resid 968 and name H )) ASSI { 101} (( segid " " and resid 968 and name HG3 )) (( segid " " and resid 968 and name HA )) 2.800 1.000 1.000 peak 101 spectrum 1 weight 0.10000E+01 volume 0.35031E-02 ppm1 2.419 ppm2 3.948 CV 1 OR { 101} (( segid " " and resid 954 and name HG2 )) (( segid " " and resid 954 and name HA )) OR { 101} (( segid " " and resid 1039 and name HG2 )) (( segid " " and resid 1039 and name HA )) ASSI { 2024} (( segid " " and resid 926 and name HA )) (( segid " " and resid 929 and name H )) 3.000 1.100 1.100 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.19144E-02 ppm1 4.098 ppm2 8.343 CV 1 OR { 2024} (( segid " " and resid 1015 and name HA )) (( segid " " and resid 1018 and name H )) ASSI { 1733} ( segid " " and resid 959 and name HG2%) (( segid " " and resid 996 and name HB3 )) 2.700 0.900 0.900 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.69021E-02 ppm1 0.751 ppm2 1.426 CV 1 OR { 1733} ( segid " " and resid 959 and name HG2%) ( segid " " and resid 958 and name HB% ) ASSI { 1820} (( segid " " and resid 1023 and name HA )) (( segid " " and resid 931 and name HG1 )) 3.700 1.700 1.700 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.75574E-03 ppm1 4.121 ppm2 3.990 CV 1 OR { 1820} (( segid " " and resid 1023 and name HA )) (( segid " " and resid 1022 and name HA )) ASSI { 3483} ( segid " " and resid 934 and name HB% ) ( segid " " and resid 1020 and name HD1%) 4.000 2.000 2.000 peak 3483 spectrum 1 weight 0.10000E+01 volume 0.83633E-03 ppm1 1.518 ppm2 0.745 CV 1 OR { 3483} ( segid " " and resid 1017 and name HB% ) ( segid " " and resid 1020 and name HD1%) ASSI { 528} (( segid " " and resid 1009 and name HB2 )) (( segid " " and resid 1009 and name HG3 )) 2.200 0.600 0.600 peak 528 spectrum 1 weight 0.10000E+01 volume 0.89307E-02 ppm1 1.792 ppm2 1.922 CV 1 OR { 528} (( segid " " and resid 950 and name HB3 )) (( segid " " and resid 950 and name HG3 )) OR { 528} (( segid " " and resid 1009 and name HB2 )) (( segid " " and resid 1009 and name HG2 )) ASSI { 1329} (( segid " " and resid 991 and name HA )) (( segid " " and resid 991 and name HB2 )) 2.500 0.800 0.800 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.46820E-02 ppm1 3.994 ppm2 2.113 CV 1 OR { 1329} (( segid " " and resid 1022 and name HA )) (( segid " " and resid 1022 and name HB2 )) ASSI { 2154} ( segid " " and resid 987 and name HD1%) (( segid " " and resid 983 and name HB2 )) 3.800 1.800 1.800 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.14778E-02 ppm1 0.710 ppm2 2.194 CV 1 OR { 2154} ( segid " " and resid 987 and name HD1%) (( segid " " and resid 1042 and name HB3 )) ASSI { 853} (( segid " " and resid 964 and name HA )) ( segid " " and resid 963 and name HG2%) 2.600 0.800 0.800 peak 853 spectrum 1 weight 0.10000E+01 volume 0.48567E-02 ppm1 4.241 ppm2 0.845 CV 1 OR { 853} (( segid " " and resid 964 and name HA )) ( segid " " and resid 967 and name HG2%) ASSI { 227} (( segid " " and resid 917 and name HA )) ( segid " " and resid 1037 and name HB% ) 2.400 0.700 0.700 peak 227 spectrum 1 weight 0.10000E+01 volume 0.56460E-02 ppm1 4.046 ppm2 1.317 CV 1 OR { 227} (( segid " " and resid 917 and name HA )) (( segid " " and resid 917 and name HG )) ASSI { 2759} ( segid " " and resid 934 and name HB% ) (( segid " " and resid 1020 and name HB2 )) 3.400 1.500 1.500 peak 2759 spectrum 1 weight 0.10000E+01 volume 0.15215E-02 ppm1 1.519 ppm2 1.223 CV 1 OR { 2759} ( segid " " and resid 1017 and name HB% ) (( segid " " and resid 1020 and name HB2 )) ASSI { 3437} (( segid " " and resid 970 and name HA )) (( segid " " and resid 970 and name HB )) 2.900 1.100 1.100 peak 3437 spectrum 1 weight 0.10000E+01 volume 0.17667E-02 ppm1 3.450 ppm2 2.179 CV 1 OR { 3437} (( segid " " and resid 914 and name HA )) (( segid " " and resid 917 and name HB2 )) ASSI { 1350} (( segid " " and resid 917 and name HG )) ( segid " " and resid 917 and name HD1%) 2.700 0.900 0.900 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.28448E-02 ppm1 1.297 ppm2 0.687 CV 1 OR { 1350} (( segid " " and resid 986 and name HG )) ( segid " " and resid 986 and name HD2%) ASSI { 2458} (( segid " " and resid 964 and name HG3 )) (( segid " " and resid 963 and name H )) 4.300 2.300 1.700 peak 2458 spectrum 1 weight 0.10000E+01 volume 0.94377E-03 ppm1 1.922 ppm2 7.920 CV 1 OR { 2458} (( segid " " and resid 950 and name HG3 )) (( segid " " and resid 953 and name H )) ASSI { 1634} (( segid " " and resid 918 and name HG3 )) ( segid " " and resid 970 and name HG1%) 4.200 2.200 1.800 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.73218E-03 ppm1 2.427 ppm2 0.721 CV 1 OR { 1634} (( segid " " and resid 918 and name HG3 )) ( segid " " and resid 917 and name HD1%) ASSI { 388} (( segid " " and resid 916 and name H )) (( segid " " and resid 915 and name HB3 )) 2.700 0.900 0.900 peak 388 spectrum 1 weight 0.10000E+01 volume 0.25452E-02 ppm1 8.256 ppm2 1.731 CV 1 OR { 388} (( segid " " and resid 916 and name H )) (( segid " " and resid 916 and name HG2 )) ASSI { 37} (( segid " " and resid 994 and name H )) (( segid " " and resid 996 and name HD2 )) 3.200 1.200 1.200 peak 37 spectrum 1 weight 0.10000E+01 volume 0.10605E-02 ppm1 7.246 ppm2 4.056 CV 1 OR { 37} (( segid " " and resid 994 and name H )) (( segid " " and resid 993 and name HA )) ASSI { 295} (( segid " " and resid 1007 and name H )) (( segid " " and resid 1007 and name HB3 )) 2.800 1.000 1.000 peak 295 spectrum 1 weight 0.10000E+01 volume 0.29447E-02 ppm1 7.636 ppm2 3.889 CV 1 OR { 295} (( segid " " and resid 1007 and name H )) (( segid " " and resid 1004 and name HA )) ASSI { 208} (( segid " " and resid 1019 and name H )) (( segid " " and resid 1019 and name HB3 )) 2.800 1.000 1.000 peak 208 spectrum 1 weight 0.10000E+01 volume 0.17781E-02 ppm1 7.958 ppm2 2.125 CV 1 OR { 208} (( segid " " and resid 1020 and name H )) (( segid " " and resid 1019 and name HB3 )) ASSI { 60} (( segid " " and resid 1034 and name H )) (( segid " " and resid 1033 and name HA )) 3.300 1.300 1.300 peak 60 spectrum 1 weight 0.10000E+01 volume 0.12751E-02 ppm1 8.177 ppm2 4.155 CV 1 OR { 60} (( segid " " and resid 1034 and name H )) (( segid " " and resid 1030 and name HA )) ASSI { 309} (( segid " " and resid 929 and name H )) ( segid " " and resid 963 and name HG2%) 3.800 1.900 1.900 peak 309 spectrum 1 weight 0.10000E+01 volume 0.86072E-03 ppm1 8.338 ppm2 0.846 CV 1 OR { 309} (( segid " " and resid 929 and name H )) ( segid " " and resid 932 and name HD1%) OR { 309} (( segid " " and resid 929 and name H )) ( segid " " and resid 959 and name HG1%) ASSI { 641} (( segid " " and resid 944 and name H )) (( segid " " and resid 943 and name HA )) 3.100 1.200 1.200 peak 641 spectrum 1 weight 0.10000E+01 volume 0.16376E-02 ppm1 8.184 ppm2 4.247 CV 1 OR { 641} (( segid " " and resid 944 and name H )) (( segid " " and resid 944 and name HA )) ASSI { 1049} (( segid " " and resid 962 and name H )) ( segid " " and resid 963 and name HD1%) 4.200 2.200 1.800 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.86318E-03 ppm1 7.466 ppm2 0.933 CV 1 OR { 1049} (( segid " " and resid 962 and name H )) ( segid " " and resid 965 and name HD1%) ASSI { 225} (( segid " " and resid 933 and name H )) (( segid " " and resid 932 and name HA )) 3.600 1.600 1.600 peak 225 spectrum 1 weight 0.10000E+01 volume 0.71520E-03 ppm1 7.554 ppm2 3.705 CV 1 OR { 225} (( segid " " and resid 933 and name H )) (( segid " " and resid 929 and name HA )) ASSI { 1070} (( segid " " and resid 1027 and name H )) ( segid " " and resid 1027 and name HD1%) 3.700 1.700 1.700 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.13959E-02 ppm1 8.795 ppm2 0.943 CV 1 OR { 1070} (( segid " " and resid 935 and name H )) ( segid " " and resid 931 and name HG2%) ASSI { 197} (( segid " " and resid 1013 and name H )) (( segid " " and resid 1012 and name HB3 )) 3.200 1.200 1.200 peak 197 spectrum 1 weight 0.10000E+01 volume 0.13021E-02 ppm1 7.552 ppm2 2.084 CV 1 OR { 197} (( segid " " and resid 1043 and name H )) (( segid " " and resid 1043 and name HB3 )) ASSI { 39} (( segid " " and resid 943 and name H )) (( segid " " and resid 943 and name HB2 )) 3.500 1.600 1.600 peak 39 spectrum 1 weight 0.10000E+01 volume 0.95196E-03 ppm1 8.342 ppm2 1.839 CV 1 OR { 39} (( segid " " and resid 943 and name H )) (( segid " " and resid 942 and name HB3 )) ASSI { 870} (( segid " " and resid 913 and name H )) (( segid " " and resid 912 and name HA )) 2.500 0.800 0.800 peak 870 spectrum 1 weight 0.10000E+01 volume 0.47031E-02 ppm1 8.249 ppm2 4.190 CV 1 OR { 870} (( segid " " and resid 989 and name H )) (( segid " " and resid 989 and name HA )) ASSI { 733} (( segid " " and resid 1033 and name H )) (( segid " " and resid 1029 and name HA )) 4.300 2.300 1.700 peak 733 spectrum 1 weight 0.10000E+01 volume 0.37734E-03 ppm1 7.838 ppm2 4.035 CV 1 OR { 733} (( segid " " and resid 1033 and name H )) (( segid " " and resid 1031 and name HA )) ASSI { 787} (( segid " " and resid 1034 and name H )) ( segid " " and resid 1034 and name HD2%) 3.700 1.700 1.700 peak 787 spectrum 1 weight 0.10000E+01 volume 0.16499E-02 ppm1 8.176 ppm2 0.906 CV 1 OR { 787} (( segid " " and resid 1034 and name H )) ( segid " " and resid 994 and name HD2%) ASSI { 923} (( segid " " and resid 992 and name H )) (( segid " " and resid 988 and name HA )) 4.200 2.200 1.800 peak 923 spectrum 1 weight 0.10000E+01 volume 0.40446E-03 ppm1 8.327 ppm2 4.138 CV 1 OR { 923} (( segid " " and resid 992 and name H )) (( segid " " and resid 990 and name HB2 )) ASSI { 162} (( segid " " and resid 993 and name H )) ( segid " " and resid 994 and name HD1%) 4.000 2.000 2.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.10482E-02 ppm1 7.672 ppm2 0.914 CV 1 OR { 162} (( segid " " and resid 993 and name H )) ( segid " " and resid 1034 and name HD2%) ASSI { 1101} (( segid " " and resid 951 and name H )) (( segid " " and resid 951 and name HB3 )) 3.600 1.600 1.600 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.15241E-02 ppm1 7.947 ppm2 1.515 CV 1 OR { 1101} (( segid " " and resid 1025 and name H )) (( segid " " and resid 1025 and name HG3 )) ASSI { 705} (( segid " " and resid 952 and name H )) (( segid " " and resid 951 and name H )) 2.900 1.000 1.000 peak 705 spectrum 1 weight 0.10000E+01 volume 0.15192E-02 ppm1 8.003 ppm2 7.925 CV 1 OR { 705} (( segid " " and resid 952 and name H )) (( segid " " and resid 953 and name H )) ASSI { 117} (( segid " " and resid 962 and name H )) (( segid " " and resid 962 and name HB3 )) 2.800 1.000 1.000 peak 117 spectrum 1 weight 0.10000E+01 volume 0.42222E-02 ppm1 7.467 ppm2 2.081 CV 1 OR { 117} (( segid " " and resid 962 and name H )) (( segid " " and resid 961 and name HB2 )) ASSI { 67} (( segid " " and resid 928 and name H )) ( segid " " and resid 1027 and name HD2%) 4.200 2.200 1.800 peak 67 spectrum 1 weight 0.10000E+01 volume 0.10975E-02 ppm1 8.950 ppm2 0.833 CV 1 OR { 67} (( segid " " and resid 928 and name H )) ( segid " " and resid 959 and name HG1%) ASSI { 1033} (( segid " " and resid 959 and name H )) (( segid " " and resid 957 and name HA )) 4.500 2.500 1.500 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.30088E-03 ppm1 7.544 ppm2 3.928 CV 1 OR { 1033} (( segid " " and resid 959 and name H )) (( segid " " and resid 960 and name HA )) ASSI { 844} (( segid " " and resid 1022 and name H )) (( segid " " and resid 1020 and name H )) 4.000 2.000 2.000 peak 844 spectrum 1 weight 0.10000E+01 volume 0.42912E-03 ppm1 8.394 ppm2 7.947 CV 1 OR { 844} (( segid " " and resid 1022 and name H )) (( segid " " and resid 1025 and name H )) ASSI { 978} (( segid " " and resid 934 and name H )) ( segid " " and resid 1020 and name HD2%) 4.200 2.200 1.800 peak 978 spectrum 1 weight 0.10000E+01 volume 0.54257E-03 ppm1 7.979 ppm2 0.834 CV 1 OR { 978} (( segid " " and resid 934 and name H )) ( segid " " and resid 932 and name HG2%) ASSI { 437} (( segid " " and resid 1021 and name H )) (( segid " " and resid 1022 and name HB2 )) 4.800 2.900 1.200 peak 437 spectrum 1 weight 0.10000E+01 volume 0.28855E-03 ppm1 8.394 ppm2 2.109 CV 1 OR { 437} (( segid " " and resid 1021 and name H )) (( segid " " and resid 1019 and name HB3 )) ASSI { 148} (( segid " " and resid 1039 and name H )) (( segid " " and resid 1037 and name H )) 3.900 1.900 1.900 peak 148 spectrum 1 weight 0.10000E+01 volume 0.52777E-03 ppm1 7.843 ppm2 8.534 CV 1 OR { 148} (( segid " " and resid 1033 and name H )) (( segid " " and resid 1035 and name H )) ASSI { 1131} (( segid " " and resid 932 and name H )) (( segid " " and resid 932 and name HA )) 2.800 1.000 1.000 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.24169E-02 ppm1 8.380 ppm2 3.706 CV 1 OR { 1131} (( segid " " and resid 932 and name H )) (( segid " " and resid 929 and name HA )) ASSI { 1017} (( segid " " and resid 963 and name H )) ( segid " " and resid 963 and name HG2%) 4.100 2.100 1.900 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.78425E-03 ppm1 7.883 ppm2 0.848 CV 1 OR { 1017} (( segid " " and resid 985 and name H )) ( segid " " and resid 984 and name HD2%) ASSI { 896} (( segid " " and resid 1004 and name H )) ( segid " " and resid 952 and name HD1%) 4.400 2.400 1.600 peak 896 spectrum 1 weight 0.10000E+01 volume 0.52531E-03 ppm1 8.808 ppm2 0.826 CV 1 OR { 896} (( segid " " and resid 1004 and name H )) ( segid " " and resid 1020 and name HD2%) ASSI { 18} (( segid " " and resid 918 and name H )) ( segid " " and resid 914 and name HG1%) 4.200 2.200 1.800 peak 18 spectrum 1 weight 0.10000E+01 volume 0.58943E-03 ppm1 8.751 ppm2 0.905 CV 1 OR { 18} (( segid " " and resid 918 and name H )) ( segid " " and resid 970 and name HG2%) ASSI { 543} (( segid " " and resid 939 and name H )) (( segid " " and resid 938 and name HA )) 3.500 1.500 1.500 peak 543 spectrum 1 weight 0.10000E+01 volume 0.83603E-03 ppm1 7.789 ppm2 4.056 CV 1 OR { 543} (( segid " " and resid 1006 and name H )) (( segid " " and resid 1003 and name HA )) ASSI { 502} (( segid " " and resid 929 and name H )) ( segid " " and resid 932 and name HD1%) 4.300 2.300 1.700 peak 502 spectrum 1 weight 0.10000E+01 volume 0.42666E-03 ppm1 8.369 ppm2 0.817 CV 1 OR { 502} (( segid " " and resid 1023 and name H )) ( segid " " and resid 1020 and name HD2%) ASSI { 176} (( segid " " and resid 1020 and name H )) ( segid " " and resid 934 and name HB% ) 3.300 1.400 1.400 peak 176 spectrum 1 weight 0.10000E+01 volume 0.99388E-03 ppm1 7.954 ppm2 1.516 CV 1 OR { 176} (( segid " " and resid 1019 and name H )) ( segid " " and resid 1017 and name HB% ) OR { 176} (( segid " " and resid 1019 and name H )) ( segid " " and resid 934 and name HB% ) ASSI { 545} (( segid " " and resid 1023 and name H )) (( segid " " and resid 1023 and name HA )) 2.600 0.900 0.900 peak 545 spectrum 1 weight 0.10000E+01 volume 0.34971E-02 ppm1 8.369 ppm2 4.118 CV 1 OR { 545} (( segid " " and resid 929 and name H )) (( segid " " and resid 926 and name HA )) ASSI { 653} (( segid " " and resid 1043 and name H )) (( segid " " and resid 1043 and name HB2 )) 3.500 1.500 1.500 peak 653 spectrum 1 weight 0.10000E+01 volume 0.11024E-02 ppm1 7.554 ppm2 1.925 CV 1 OR { 653} (( segid " " and resid 1013 and name H )) (( segid " " and resid 1012 and name HB2 )) ASSI { 455} (( segid " " and resid 928 and name H )) (( segid " " and resid 927 and name HB2 )) 3.300 1.400 1.400 peak 455 spectrum 1 weight 0.10000E+01 volume 0.14748E-02 ppm1 8.950 ppm2 3.864 CV 1 OR { 455} (( segid " " and resid 928 and name H )) (( segid " " and resid 924 and name HA )) ASSI { 35} (( segid " " and resid 969 and name H )) ( segid " " and resid 965 and name HD2%) 3.200 1.300 1.300 peak 35 spectrum 1 weight 0.10000E+01 volume 0.52284E-03 ppm1 7.981 ppm2 0.842 CV 1 OR { 35} (( segid " " and resid 969 and name H )) ( segid " " and resid 967 and name HG2%) ASSI { 417} (( segid " " and resid 1030 and name H )) ( segid " " and resid 1027 and name HD1%) 4.300 2.300 1.700 peak 417 spectrum 1 weight 0.10000E+01 volume 0.67819E-03 ppm1 8.278 ppm2 0.937 CV 1 OR { 417} (( segid " " and resid 1030 and name H )) ( segid " " and resid 1031 and name HD2%) ASSI { 976} (( segid " " and resid 1001 and name H )) (( segid " " and resid 1001 and name HB )) 2.100 0.600 0.600 peak 976 spectrum 1 weight 0.10000E+01 volume 0.11954E-01 ppm1 7.923 ppm2 2.162 CV 1 OR { 976} (( segid " " and resid 1019 and name H )) (( segid " " and resid 1019 and name HB2 )) OR { 976} (( segid " " and resid 1020 and name H )) (( segid " " and resid 1019 and name HB2 )) ASSI { 22} (( segid " " and resid 1008 and name H )) (( segid " " and resid 1007 and name HB3 )) 3.700 1.700 1.700 peak 22 spectrum 1 weight 0.10000E+01 volume 0.79412E-03 ppm1 7.528 ppm2 3.883 CV 1 OR { 22} (( segid " " and resid 1008 and name H )) (( segid " " and resid 1004 and name HA )) ASSI { 420} (( segid " " and resid 913 and name H )) (( segid " " and resid 913 and name HB3 )) 3.800 1.800 1.800 peak 420 spectrum 1 weight 0.10000E+01 volume 0.13983E-02 ppm1 8.216 ppm2 1.238 CV 1 OR { 420} (( segid " " and resid 913 and name H )) ( segid " " and resid 912 and name HG2%) ASSI { 23} (( segid " " and resid 917 and name H )) (( segid " " and resid 917 and name HG )) 3.200 1.200 1.200 peak 23 spectrum 1 weight 0.10000E+01 volume 0.17436E-02 ppm1 7.589 ppm2 1.312 CV 1 OR { 23} (( segid " " and resid 917 and name H )) ( segid " " and resid 1037 and name HB% ) ASSI { 57} (( segid " " and resid 1042 and name H )) (( segid " " and resid 1043 and name HG3 )) 3.900 1.900 1.900 peak 57 spectrum 1 weight 0.10000E+01 volume 0.15020E-02 ppm1 7.741 ppm2 2.428 CV 1 OR { 57} (( segid " " and resid 1042 and name H )) (( segid " " and resid 1042 and name HG2 )) ASSI { 321} (( segid " " and resid 971 and name H )) (( segid " " and resid 969 and name HA2 )) 4.400 2.500 1.600 peak 321 spectrum 1 weight 0.10000E+01 volume 0.49571E-03 ppm1 8.295 ppm2 3.804 CV 1 OR { 321} (( segid " " and resid 971 and name H )) (( segid " " and resid 972 and name HA3 )) OR { 321} (( segid " " and resid 971 and name H )) (( segid " " and resid 972 and name HA2 )) ASSI { 573} (( segid " " and resid 1019 and name H )) (( segid " " and resid 1016 and name HA )) 3.000 1.100 1.100 peak 573 spectrum 1 weight 0.10000E+01 volume 0.20618E-02 ppm1 7.923 ppm2 4.212 CV 1 OR { 573} (( segid " " and resid 1001 and name H )) (( segid " " and resid 1000 and name HA )) ASSI { 397} (( segid " " and resid 990 and name H )) (( segid " " and resid 989 and name H )) 2.400 0.700 0.700 peak 397 spectrum 1 weight 0.10000E+01 volume 0.47524E-02 ppm1 8.115 ppm2 8.254 CV 1 OR { 397} (( segid " " and resid 990 and name H )) (( segid " " and resid 991 and name H )) ASSI { 816} (( segid " " and resid 1000 and name H )) (( segid " " and resid 1000 and name HG3 )) 4.200 2.200 1.800 peak 816 spectrum 1 weight 0.10000E+01 volume 0.90509E-03 ppm1 7.750 ppm2 2.169 CV 1 OR { 816} (( segid " " and resid 1000 and name H )) (( segid " " and resid 1001 and name HB )) ASSI { 970} (( segid " " and resid 954 and name H )) (( segid " " and resid 954 and name HB2 )) 2.300 0.600 0.600 peak 970 spectrum 1 weight 0.10000E+01 volume 0.82025E-02 ppm1 8.194 ppm2 2.060 CV 1 OR { 970} (( segid " " and resid 954 and name H )) (( segid " " and resid 953 and name HB )) OR { 970} (( segid " " and resid 954 and name H )) (( segid " " and resid 954 and name HB3 )) ASSI { 491} (( segid " " and resid 1020 and name H )) (( segid " " and resid 1017 and name HA )) 3.200 1.300 1.300 peak 491 spectrum 1 weight 0.10000E+01 volume 0.10925E-02 ppm1 7.956 ppm2 3.849 CV 1 OR { 491} (( segid " " and resid 1019 and name H )) (( segid " " and resid 1017 and name HA )) ASSI { 356} (( segid " " and resid 935 and name H )) ( segid " " and resid 935 and name HB% ) 2.100 0.600 0.600 peak 356 spectrum 1 weight 0.10000E+01 volume 0.99465E-02 ppm1 8.788 ppm2 1.356 CV 1 OR { 356} (( segid " " and resid 1027 and name H )) (( segid " " and resid 1027 and name HB3 )) ASSI { 1103} (( segid " " and resid 963 and name H )) (( segid " " and resid 964 and name HD2 )) 2.200 0.600 0.600 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.48141E-02 ppm1 7.923 ppm2 3.689 CV 1 OR { 1103} (( segid " " and resid 963 and name H )) (( segid " " and resid 963 and name HA )) ASSI { 772} (( segid " " and resid 1035 and name H )) (( segid " " and resid 1034 and name HG )) 3.500 1.500 1.500 peak 772 spectrum 1 weight 0.10000E+01 volume 0.14378E-02 ppm1 8.520 ppm2 1.466 CV 1 OR { 772} (( segid " " and resid 1035 and name H )) (( segid " " and resid 1035 and name HG2 )) ASSI { 271} (( segid " " and resid 1036 and name H )) (( segid " " and resid 1036 and name HB )) 3.200 1.300 1.300 peak 271 spectrum 1 weight 0.10000E+01 volume 0.10752E-02 ppm1 7.967 ppm2 4.113 CV 1 OR { 271} (( segid " " and resid 1016 and name H )) (( segid " " and resid 1015 and name HA )) ASSI { 382} (( segid " " and resid 937 and name H )) ( segid " " and resid 938 and name HB% ) 4.200 2.300 1.800 peak 382 spectrum 1 weight 0.10000E+01 volume 0.72016E-03 ppm1 7.931 ppm2 1.360 CV 1 OR { 382} (( segid " " and resid 937 and name H )) ( segid " " and resid 935 and name HB% ) ASSI { 881} (( segid " " and resid 962 and name H )) (( segid " " and resid 964 and name HD2 )) 3.900 1.900 1.900 peak 881 spectrum 1 weight 0.10000E+01 volume 0.70778E-03 ppm1 7.467 ppm2 3.687 CV 1 OR { 881} (( segid " " and resid 962 and name H )) (( segid " " and resid 963 and name HA )) ASSI { 757} (( segid " " and resid 985 and name H )) (( segid " " and resid 982 and name HA )) 3.200 1.300 1.300 peak 757 spectrum 1 weight 0.10000E+01 volume 0.13047E-02 ppm1 7.882 ppm2 4.101 CV 1 OR { 757} (( segid " " and resid 985 and name H )) (( segid " " and resid 981 and name HA )) ASSI { 557} (( segid " " and resid 965 and name H )) (( segid " " and resid 965 and name HG )) 2.400 0.700 0.700 peak 557 spectrum 1 weight 0.10000E+01 volume 0.51865E-02 ppm1 6.857 ppm2 1.731 CV 1 OR { 557} (( segid " " and resid 965 and name H )) (( segid " " and resid 964 and name HB2 )) ASSI { 248} (( segid " " and resid 1020 and name H )) (( segid " " and resid 1020 and name HA )) 2.800 1.000 1.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.23922E-02 ppm1 7.955 ppm2 3.926 CV 1 OR { 248} (( segid " " and resid 953 and name H )) (( segid " " and resid 952 and name HA )) ASSI { 1055} (( segid " " and resid 930 and name H )) (( segid " " and resid 927 and name HA )) 3.200 1.300 1.300 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.13268E-02 ppm1 7.886 ppm2 4.218 CV 1 OR { 1055} (( segid " " and resid 1019 and name H )) (( segid " " and resid 1016 and name HA )) OR { 1055} (( segid " " and resid 1001 and name H )) (( segid " " and resid 1000 and name HA )) ASSI { 1121} (( segid " " and resid 921 and name H )) (( segid " " and resid 920 and name HA )) 3.300 1.400 1.400 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.99388E-03 ppm1 9.023 ppm2 4.029 CV 1 OR { 1121} (( segid " " and resid 921 and name H )) (( segid " " and resid 917 and name HA )) ASSI { 601} (( segid " " and resid 1017 and name H )) (( segid " " and resid 1016 and name HB2 )) 2.800 1.000 1.000 peak 601 spectrum 1 weight 0.10000E+01 volume 0.26512E-02 ppm1 8.473 ppm2 3.958 CV 1 OR { 601} (( segid " " and resid 1017 and name H )) (( segid " " and resid 1014 and name HA )) ASSI { 147} (( segid " " and resid 956 and name H )) (( segid " " and resid 952 and name HA )) 4.200 2.200 1.800 peak 147 spectrum 1 weight 0.10000E+01 volume 0.36747E-03 ppm1 8.030 ppm2 3.929 CV 1 OR { 147} (( segid " " and resid 956 and name H )) (( segid " " and resid 957 and name HA )) ASSI { 462} (( segid " " and resid 958 and name H )) (( segid " " and resid 957 and name HG2 )) 4.600 2.600 1.400 peak 462 spectrum 1 weight 0.10000E+01 volume 0.23429E-03 ppm1 7.562 ppm2 1.502 CV 1 OR { 462} (( segid " " and resid 958 and name H )) (( segid " " and resid 957 and name HG3 )) OR { 462} (( segid " " and resid 958 and name H )) ( segid " " and resid 960 and name HB% ) ASSI { 4} (( segid " " and resid 1023 and name H )) (( segid " " and resid 1025 and name H )) 4.000 2.000 2.000 peak 4 spectrum 1 weight 0.10000E+01 volume 0.54257E-03 ppm1 8.371 ppm2 7.951 CV 1 OR { 4} (( segid " " and resid 1023 and name H )) (( segid " " and resid 1020 and name H )) ASSI { 424} (( segid " " and resid 974 and name H )) (( segid " " and resid 974 and name HA )) 2.500 0.800 0.800 peak 424 spectrum 1 weight 0.10000E+01 volume 0.46833E-02 ppm1 8.177 ppm2 3.949 CV 1 OR { 424} (( segid " " and resid 974 and name H )) (( segid " " and resid 973 and name HB3 )) ASSI { 598} (( segid " " and resid 935 and name H )) (( segid " " and resid 934 and name HA )) 3.500 1.500 1.500 peak 598 spectrum 1 weight 0.10000E+01 volume 0.87304E-03 ppm1 8.786 ppm2 4.138 CV 1 OR { 598} (( segid " " and resid 1027 and name H )) (( segid " " and resid 1023 and name HA )) ASSI { 5} (( segid " " and resid 1033 and name H )) ( segid " " and resid 1029 and name HG2%) 3.900 1.900 1.900 peak 5 spectrum 1 weight 0.10000E+01 volume 0.56477E-03 ppm1 7.835 ppm2 1.231 CV 1 OR { 5} (( segid " " and resid 1033 and name H )) (( segid " " and resid 1034 and name HB3 )) ASSI { 161} (( segid " " and resid 960 and name H )) ( segid " " and resid 932 and name HD1%) 2.900 1.000 1.000 peak 161 spectrum 1 weight 0.10000E+01 volume 0.31790E-02 ppm1 8.671 ppm2 0.839 CV 1 OR { 161} (( segid " " and resid 960 and name H )) ( segid " " and resid 959 and name HG1%) ASSI { 410} (( segid " " and resid 914 and name H )) (( segid " " and resid 913 and name HB2 )) 2.400 0.700 0.700 peak 410 spectrum 1 weight 0.10000E+01 volume 0.58178E-02 ppm1 8.007 ppm2 1.908 CV 1 OR { 410} (( segid " " and resid 914 and name H )) (( segid " " and resid 914 and name HB )) ASSI { 109} (( segid " " and resid 928 and name H )) (( segid " " and resid 926 and name H )) 3.800 1.800 1.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.61655E-03 ppm1 8.949 ppm2 7.893 CV 1 OR { 109} (( segid " " and resid 928 and name H )) (( segid " " and resid 930 and name H )) ASSI { 175} (( segid " " and resid 913 and name H )) ( segid " " and resid 913 and name HD2%) 4.000 2.000 2.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.91746E-03 ppm1 8.216 ppm2 0.790 CV 1 OR { 175} (( segid " " and resid 913 and name H )) ( segid " " and resid 914 and name HG2%) ASSI { 824} (( segid " " and resid 1004 and name H )) ( segid " " and resid 1024 and name HB% ) 3.500 1.500 1.500 peak 824 spectrum 1 weight 0.10000E+01 volume 0.12676E-02 ppm1 8.807 ppm2 1.417 CV 1 OR { 824} (( segid " " and resid 1004 and name H )) (( segid " " and resid 952 and name HG )) OR { 824} (( segid " " and resid 1004 and name H )) ( segid " " and resid 1006 and name HB% ) ASSI { 457} (( segid " " and resid 1026 and name H )) (( segid " " and resid 1025 and name HA )) 3.100 1.200 1.200 peak 457 spectrum 1 weight 0.10000E+01 volume 0.17905E-02 ppm1 8.126 ppm2 4.001 CV 1 OR { 457} (( segid " " and resid 1026 and name H )) (( segid " " and resid 1022 and name HA )) ASSI { 102} (( segid " " and resid 922 and name H )) (( segid " " and resid 919 and name HA )) 3.200 1.300 1.300 peak 102 spectrum 1 weight 0.10000E+01 volume 0.10876E-02 ppm1 8.143 ppm2 4.124 CV 1 OR { 102} (( segid " " and resid 1026 and name H )) (( segid " " and resid 1023 and name HA )) ASSI { 554} (( segid " " and resid 1032 and name H )) (( segid " " and resid 1029 and name HA )) 3.000 1.100 1.100 peak 554 spectrum 1 weight 0.10000E+01 volume 0.18275E-02 ppm1 7.712 ppm2 4.029 CV 1 OR { 554} (( segid " " and resid 1032 and name H )) (( segid " " and resid 1031 and name HA )) ASSI { 372} (( segid " " and resid 966 and name H )) (( segid " " and resid 965 and name HG )) 4.200 2.200 1.800 peak 372 spectrum 1 weight 0.10000E+01 volume 0.61900E-03 ppm1 7.931 ppm2 1.731 CV 1 OR { 372} (( segid " " and resid 966 and name H )) (( segid " " and resid 964 and name HB2 )) ASSI { 173} (( segid " " and resid 970 and name H )) (( segid " " and resid 968 and name HA )) 4.200 2.200 1.800 peak 173 spectrum 1 weight 0.10000E+01 volume 0.37980E-03 ppm1 8.048 ppm2 3.955 CV 1 OR { 173} (( segid " " and resid 970 and name H )) (( segid " " and resid 971 and name HA )) ASSI { 729} (( segid " " and resid 1013 and name H )) (( segid " " and resid 1012 and name HA )) 3.300 1.400 1.400 peak 729 spectrum 1 weight 0.10000E+01 volume 0.11147E-02 ppm1 7.554 ppm2 3.991 CV 1 OR { 729} (( segid " " and resid 1043 and name H )) (( segid " " and resid 1040 and name HA )) ASSI { 394} (( segid " " and resid 998 and name H )) ( segid " " and resid 1031 and name HD2%) 3.700 1.800 1.800 peak 394 spectrum 1 weight 0.10000E+01 volume 0.86814E-03 ppm1 8.273 ppm2 0.937 CV 1 OR { 394} (( segid " " and resid 998 and name H )) ( segid " " and resid 994 and name HD2%) ASSI { 435} (( segid " " and resid 1016 and name H )) ( segid " " and resid 1011 and name HG2%) 4.200 2.200 1.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.57957E-03 ppm1 7.965 ppm2 0.950 CV 1 OR { 435} (( segid " " and resid 1036 and name H )) ( segid " " and resid 994 and name HD1%) ASSI { 105} (( segid " " and resid 1041 and name H )) ( segid " " and resid 987 and name HD1%) 3.900 1.900 1.900 peak 105 spectrum 1 weight 0.10000E+01 volume 0.70533E-03 ppm1 7.617 ppm2 0.706 CV 1 OR { 105} (( segid " " and resid 1041 and name H )) ( segid " " and resid 917 and name HD1%) ASSI { 247} (( segid " " and resid 994 and name H )) (( segid " " and resid 995 and name H )) 2.800 1.000 1.000 peak 247 spectrum 1 weight 0.10000E+01 volume 0.18571E-02 ppm1 7.246 ppm2 8.338 CV 1 OR { 247} (( segid " " and resid 994 and name H )) (( segid " " and resid 992 and name H )) ASSI { 370} (( segid " " and resid 954 and name HE22)) (( segid " " and resid 954 and name HG3 )) 3.600 1.600 1.600 peak 370 spectrum 1 weight 0.10000E+01 volume 0.82372E-03 ppm1 6.801 ppm2 2.360 CV 1 OR { 370} (( segid " " and resid 1012 and name HE21)) (( segid " " and resid 1012 and name HG3 )) ASSI { 338} (( segid " " and resid 953 and name H )) ( segid " " and resid 952 and name HD2%) 4.000 2.000 2.000 peak 338 spectrum 1 weight 0.10000E+01 volume 0.76698E-03 ppm1 7.927 ppm2 0.702 CV 1 OR { 338} (( segid " " and resid 1001 and name H )) ( segid " " and resid 1031 and name HD1%) ASSI { 400} (( segid " " and resid 1019 and name H )) (( segid " " and resid 1019 and name HA )) 2.600 0.900 0.900 peak 400 spectrum 1 weight 0.10000E+01 volume 0.41482E-02 ppm1 7.924 ppm2 4.154 CV 1 OR { 400} (( segid " " and resid 1020 and name H )) (( segid " " and resid 1019 and name HA )) ASSI { 703} (( segid " " and resid 914 and name H )) (( segid " " and resid 913 and name HG )) 4.900 3.000 1.100 peak 703 spectrum 1 weight 0.10000E+01 volume 0.34034E-03 ppm1 8.004 ppm2 1.725 CV 1 OR { 703} (( segid " " and resid 914 and name H )) (( segid " " and resid 915 and name HB3 )) ASSI { 1013} (( segid " " and resid 1040 and name H )) (( segid " " and resid 1040 and name HG3 )) 2.500 0.800 0.800 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.38670E-02 ppm1 8.359 ppm2 1.497 CV 1 OR { 1013} (( segid " " and resid 1018 and name H )) ( segid " " and resid 1017 and name HB% ) ASSI { 409} (( segid " " and resid 1036 and name H )) (( segid " " and resid 1037 and name H )) 2.400 0.700 0.700 peak 409 spectrum 1 weight 0.10000E+01 volume 0.55170E-02 ppm1 7.942 ppm2 8.527 CV 1 OR { 409} (( segid " " and resid 1036 and name H )) (( segid " " and resid 1035 and name H )) ASSI { 679} (( segid " " and resid 928 and name H )) (( segid " " and resid 927 and name HB3 )) 3.000 1.100 1.100 peak 679 spectrum 1 weight 0.10000E+01 volume 0.16844E-02 ppm1 8.950 ppm2 3.739 CV 1 OR { 679} (( segid " " and resid 928 and name H )) (( segid " " and resid 925 and name HA )) ASSI { 812} (( segid " " and resid 927 and name H )) (( segid " " and resid 926 and name HA )) 3.200 1.300 1.300 peak 812 spectrum 1 weight 0.10000E+01 volume 0.14921E-02 ppm1 8.504 ppm2 4.079 CV 1 OR { 812} (( segid " " and resid 927 and name H )) (( segid " " and resid 923 and name HA )) ASSI { 472} (( segid " " and resid 966 and name H )) ( segid " " and resid 967 and name HG2%) 4.000 2.000 2.000 peak 472 spectrum 1 weight 0.10000E+01 volume 0.13466E-02 ppm1 7.930 ppm2 0.845 CV 1 OR { 472} (( segid " " and resid 966 and name H )) ( segid " " and resid 965 and name HD2%) ASSI { 240} (( segid " " and resid 1032 and name H )) ( segid " " and resid 1029 and name HG2%) 5.100 3.300 0.900 peak 240 spectrum 1 weight 0.10000E+01 volume 0.14304E-03 ppm1 7.713 ppm2 1.237 CV 1 OR { 240} (( segid " " and resid 1032 and name H )) (( segid " " and resid 1034 and name HB3 )) ASSI { 94} (( segid " " and resid 922 and name H )) (( segid " " and resid 922 and name HG2 )) 3.500 1.600 1.600 peak 94 spectrum 1 weight 0.10000E+01 volume 0.12085E-02 ppm1 8.143 ppm2 1.318 CV 1 OR { 94} (( segid " " and resid 1026 and name H )) (( segid " " and resid 1025 and name HG2 )) ASSI { 646} (( segid " " and resid 1001 and name H )) (( segid " " and resid 1027 and name HG )) 4.500 2.600 1.500 peak 646 spectrum 1 weight 0.10000E+01 volume 0.48338E-03 ppm1 7.928 ppm2 1.341 CV 1 OR { 646} (( segid " " and resid 1001 and name H )) ( segid " " and resid 1003 and name HB% ) ASSI { 333} (( segid " " and resid 1001 and name H )) ( segid " " and resid 1027 and name HD2%) 3.800 1.800 1.800 peak 333 spectrum 1 weight 0.10000E+01 volume 0.97169E-03 ppm1 7.957 ppm2 0.819 CV 1 OR { 333} (( segid " " and resid 1020 and name H )) ( segid " " and resid 1020 and name HD2%) ASSI { 193} (( segid " " and resid 931 and name H )) ( segid " " and resid 1027 and name HD2%) 4.000 2.000 2.000 peak 193 spectrum 1 weight 0.10000E+01 volume 0.88046E-03 ppm1 8.043 ppm2 0.829 CV 1 OR { 193} (( segid " " and resid 931 and name H )) ( segid " " and resid 932 and name HD1%) ASSI { 574} (( segid " " and resid 918 and name H )) (( segid " " and resid 917 and name HG )) 3.700 1.700 1.700 peak 574 spectrum 1 weight 0.10000E+01 volume 0.91005E-03 ppm1 8.747 ppm2 1.305 CV 1 OR { 574} (( segid " " and resid 918 and name H )) ( segid " " and resid 1037 and name HB% ) ASSI { 580} (( segid " " and resid 1012 and name H )) (( segid " " and resid 1011 and name HA )) 2.500 0.800 0.800 peak 580 spectrum 1 weight 0.10000E+01 volume 0.43307E-02 ppm1 8.543 ppm2 3.963 CV 1 OR { 580} (( segid " " and resid 1012 and name H )) (( segid " " and resid 1012 and name HA )) ASSI { 441} (( segid " " and resid 1038 and name H )) (( segid " " and resid 1038 and name HA )) 2.600 0.800 0.800 peak 441 spectrum 1 weight 0.10000E+01 volume 0.41901E-02 ppm1 8.724 ppm2 3.978 CV 1 OR { 441} (( segid " " and resid 1038 and name H )) (( segid " " and resid 1037 and name HA )) ASSI { 530} (( segid " " and resid 935 and name H )) ( segid " " and resid 933 and name HB% ) 3.000 1.100 1.100 peak 530 spectrum 1 weight 0.10000E+01 volume 0.85086E-03 ppm1 8.792 ppm2 1.430 CV 1 OR { 530} (( segid " " and resid 1027 and name H )) ( segid " " and resid 1024 and name HB% ) ASSI { 714} (( segid " " and resid 1041 and name H )) (( segid " " and resid 1040 and name HA )) 2.900 1.100 1.100 peak 714 spectrum 1 weight 0.10000E+01 volume 0.22714E-02 ppm1 7.617 ppm2 3.972 CV 1 OR { 714} (( segid " " and resid 1041 and name H )) (( segid " " and resid 1038 and name HA )) ASSI { 800} (( segid " " and resid 1000 and name H )) (( segid " " and resid 1000 and name HB2 )) 2.700 0.900 0.900 peak 800 spectrum 1 weight 0.10000E+01 volume 0.26216E-02 ppm1 7.747 ppm2 1.741 CV 1 OR { 800} (( segid " " and resid 915 and name H )) (( segid " " and resid 915 and name HB3 )) ASSI { 303} (( segid " " and resid 914 and name H )) (( segid " " and resid 913 and name HB3 )) 3.800 1.800 1.800 peak 303 spectrum 1 weight 0.10000E+01 volume 0.94706E-03 ppm1 8.008 ppm2 1.250 CV 1 OR { 303} (( segid " " and resid 914 and name H )) ( segid " " and resid 912 and name HG2%) ASSI { 266} (( segid " " and resid 973 and name H )) ( segid " " and resid 982 and name HB% ) 3.800 1.800 1.800 peak 266 spectrum 1 weight 0.10000E+01 volume 0.11863E-02 ppm1 7.290 ppm2 1.460 CV 1 OR { 266} (( segid " " and resid 973 and name H )) ( segid " " and resid 975 and name HB% ) ASSI { 928} (( segid " " and resid 924 and name H )) (( segid " " and resid 923 and name H )) 2.300 0.600 0.600 peak 928 spectrum 1 weight 0.10000E+01 volume 0.63508E-02 ppm1 8.223 ppm2 8.121 CV 1 OR { 928} (( segid " " and resid 924 and name H )) (( segid " " and resid 925 and name H )) ASSI { 1154} (( segid " " and resid 933 and name H )) (( segid " " and resid 933 and name HA )) 2.600 0.800 0.800 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.46710E-02 ppm1 7.553 ppm2 4.118 CV 1 OR { 1154} (( segid " " and resid 933 and name H )) (( segid " " and resid 930 and name HA )) ASSI { 258} (( segid " " and resid 926 and name H )) (( segid " " and resid 925 and name HA )) 3.200 1.300 1.300 peak 258 spectrum 1 weight 0.10000E+01 volume 0.12232E-02 ppm1 7.901 ppm2 3.712 CV 1 OR { 258} (( segid " " and resid 926 and name H )) (( segid " " and resid 922 and name HA ))
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