NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
531418 | 2l2g | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 6} (( segid " " and resid 114 and name HD21)) (( segid " " and resid 31 and name HB2 )) 2.800 0.900 1.000 peak 6 spectrum 1 weight 0.10000E+01 volume 0.27534E-02 ppm1 6.216 ppm2 2.981 CV 1 OR { 6} (( segid " " and resid 114 and name HD21)) (( segid " " and resid 117 and name HD1 )) ASSI { 8} (( segid " " and resid 43 and name HN )) ( segid " " and resid 43 and name HD1%) 3.100 1.200 1.200 peak 8 spectrum 1 weight 0.10000E+01 volume 0.87127E-03 ppm1 8.646 ppm2 0.106 CV 1 OR { 8} (( segid " " and resid 35 and name HN )) ( segid " " and resid 41 and name HD1%) ASSI { 24} (( segid " " and resid 102 and name HN )) ( segid " " and resid 128 and name HG2%) 3.000 1.100 1.100 peak 24 spectrum 1 weight 0.10000E+01 volume 0.11112E-02 ppm1 9.267 ppm2 0.519 CV 1 OR { 24} (( segid " " and resid 102 and name HN )) (( segid " " and resid 103 and name HG12)) ASSI { 45} (( segid " " and resid 40 and name HN )) ( segid " " and resid 40 and name HD1%) 3.100 1.200 1.200 peak 45 spectrum 1 weight 0.10000E+01 volume 0.10008E-02 ppm1 8.328 ppm2 0.721 CV 1 OR { 45} (( segid " " and resid 122 and name HN )) ( segid " " and resid 120 and name HG2%) OR { 45} (( segid " " and resid 122 and name HN )) ( segid " " and resid 129 and name HD1%) ASSI { 46} (( segid " " and resid 10 and name HN )) ( segid " " and resid 19 and name HD2%) 3.100 1.200 1.200 peak 46 spectrum 1 weight 0.10000E+01 volume 0.10170E-02 ppm1 7.688 ppm2 0.729 CV 1 OR { 46} (( segid " " and resid 10 and name HN )) ( segid " " and resid 74 and name HD1%) OR { 46} (( segid " " and resid 10 and name HN )) ( segid " " and resid 19 and name HD1%) OR { 46} (( segid " " and resid 10 and name HN )) ( segid " " and resid 11 and name HG2%) ASSI { 49} (( segid " " and resid 105 and name HN )) ( segid " " and resid 74 and name HD1%) 3.000 3.000 3.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.11175E-02 ppm1 9.573 ppm2 0.741 CV 1 OR { 49} (( segid " " and resid 105 and name HN )) ( segid " " and resid 11 and name HG2%) OR { 49} (( segid " " and resid 105 and name HN )) ( segid " " and resid 137 and name HD2%) OR { 49} (( segid " " and resid 105 and name HN )) ( segid " " and resid 102 and name HG1%) ASSI { 52} (( segid " " and resid 12 and name HN )) ( segid " " and resid 19 and name HD2%) 2.900 1.100 1.100 peak 52 spectrum 1 weight 0.10000E+01 volume 0.14156E-02 ppm1 8.030 ppm2 0.752 CV 1 OR { 52} (( segid " " and resid 12 and name HN )) ( segid " " and resid 11 and name HG2%) ASSI { 53} (( segid " " and resid 40 and name HN )) ( segid " " and resid 40 and name HD1%) 2.800 0.900 0.900 peak 53 spectrum 1 weight 0.10000E+01 volume 0.19394E-02 ppm1 8.374 ppm2 0.753 CV 1 OR { 53} (( segid " " and resid 122 and name HN )) ( segid " " and resid 120 and name HG2%) ASSI { 55} (( segid " " and resid 22 and name HN )) ( segid " " and resid 137 and name HD2%) 3.200 1.300 1.300 peak 55 spectrum 1 weight 0.10000E+01 volume 0.75994E-03 ppm1 8.197 ppm2 0.755 CV 1 OR { 55} (( segid " " and resid 22 and name HN )) ( segid " " and resid 74 and name HD1%) OR { 55} (( segid " " and resid 22 and name HN )) ( segid " " and resid 19 and name HD1%) OR { 55} (( segid " " and resid 22 and name HN )) ( segid " " and resid 19 and name HD2%) ASSI { 69} (( segid " " and resid 118 and name HN )) ( segid " " and resid 120 and name HG1%) 3.000 3.000 3.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.10816E-02 ppm1 8.951 ppm2 0.798 CV 1 OR { 69} (( segid " " and resid 118 and name HN )) ( segid " " and resid 41 and name HG2%) ASSI { 74} (( segid " " and resid 42 and name HN )) ( segid " " and resid 40 and name HD1%) 2.500 0.800 0.800 peak 74 spectrum 1 weight 0.10000E+01 volume 0.35527E-02 ppm1 8.860 ppm2 0.819 CV 1 OR { 74} (( segid " " and resid 42 and name HN )) ( segid " " and resid 41 and name HG2%) ASSI { 77} (( segid " " and resid 82 and name HE22)) ( segid " " and resid 77 and name HG1%) 2.700 0.900 0.900 peak 77 spectrum 1 weight 0.10000E+01 volume 0.23962E-02 ppm1 6.711 ppm2 0.834 CV 1 OR { 77} (( segid " " and resid 121 and name HN )) ( segid " " and resid 120 and name HG1%) OR { 77} (( segid " " and resid 82 and name HE22)) ( segid " " and resid 77 and name HG2%) ASSI { 86} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HG2%) 2.500 0.800 0.800 peak 86 spectrum 1 weight 0.10000E+01 volume 0.36375E-02 ppm1 9.123 ppm2 0.849 CV 1 OR { 86} (( segid " " and resid 33 and name HN )) ( segid " " and resid 40 and name HD2%) OR { 86} (( segid " " and resid 33 and name HN )) ( segid " " and resid 41 and name HG2%) ASSI { 87} (( segid " " and resid 82 and name HE22)) ( segid " " and resid 77 and name HG1%) 2.700 0.900 0.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.19497E-02 ppm1 6.714 ppm2 0.849 CV 1 OR { 87} (( segid " " and resid 82 and name HE22)) ( segid " " and resid 77 and name HG2%) OR { 87} (( segid " " and resid 82 and name HE22)) ( segid " " and resid 80 and name HG2%) ASSI { 89} (( segid " " and resid 119 and name HN )) ( segid " " and resid 33 and name HG2%) 3.000 1.100 1.100 peak 89 spectrum 1 weight 0.10000E+01 volume 0.12754E-02 ppm1 8.901 ppm2 0.857 CV 1 OR { 89} (( segid " " and resid 119 and name HN )) ( segid " " and resid 120 and name HG1%) ASSI { 90} (( segid " " and resid 34 and name HN )) ( segid " " and resid 33 and name HG2%) 2.600 2.600 3.400 peak 90 spectrum 1 weight 0.10000E+01 volume 0.26295E-02 ppm1 8.544 ppm2 0.859 CV 1 OR { 90} (( segid " " and resid 34 and name HN )) ( segid " " and resid 40 and name HD2%) ASSI { 91} (( segid " " and resid 107 and name HN )) ( segid " " and resid 106 and name HG1%) 2.300 0.700 0.700 peak 91 spectrum 1 weight 0.10000E+01 volume 0.51089E-02 ppm1 9.090 ppm2 0.859 CV 1 OR { 91} (( segid " " and resid 107 and name HN )) ( segid " " and resid 80 and name HG2%) ASSI { 93} (( segid " " and resid 106 and name HN )) ( segid " " and resid 106 and name HG1%) 2.900 1.000 1.000 peak 93 spectrum 1 weight 0.10000E+01 volume 0.14702E-02 ppm1 8.364 ppm2 0.862 CV 1 OR { 93} (( segid " " and resid 106 and name HN )) ( segid " " and resid 80 and name HG2%) ASSI { 94} (( segid " " and resid 80 and name HN )) ( segid " " and resid 80 and name HG2%) 2.100 2.100 3.900 peak 94 spectrum 1 weight 0.10000E+01 volume 0.92711E-02 ppm1 7.603 ppm2 0.874 CV 1 OR { 94} (( segid " " and resid 80 and name HN )) ( segid " " and resid 80 and name HG1%) OR { 94} (( segid " " and resid 80 and name HN )) ( segid " " and resid 77 and name HG1%) ASSI { 96} (( segid " " and resid 40 and name HN )) ( segid " " and resid 40 and name HD2%) 3.000 1.100 1.100 peak 96 spectrum 1 weight 0.10000E+01 volume 0.11932E-02 ppm1 8.336 ppm2 0.896 CV 1 OR { 96} (( segid " " and resid 122 and name HN )) ( segid " " and resid 122 and name HD2%) ASSI { 101} (( segid " " and resid 101 and name HN )) ( segid " " and resid 102 and name HG2%) 3.000 3.000 3.000 peak 101 spectrum 1 weight 0.10000E+01 volume 0.11503E-02 ppm1 9.045 ppm2 0.902 CV 1 OR { 101} (( segid " " and resid 101 and name HN )) ( segid " " and resid 58 and name HG1%) ASSI { 106} (( segid " " and resid 86 and name HN )) ( segid " " and resid 84 and name HG1%) 2.200 2.200 3.800 peak 106 spectrum 1 weight 0.10000E+01 volume 0.77215E-02 ppm1 8.423 ppm2 0.910 CV 1 OR { 106} (( segid " " and resid 56 and name HN )) ( segid " " and resid 56 and name HG1%) ASSI { 114} (( segid " " and resid 18 and name HN )) ( segid " " and resid 12 and name HG2%) 3.000 1.100 1.100 peak 114 spectrum 1 weight 0.10000E+01 volume 0.12763E-02 ppm1 7.904 ppm2 0.913 CV 1 OR { 114} (( segid " " and resid 25 and name HN )) (( segid " " and resid 137 and name HG )) ASSI { 120} (( segid " " and resid 85 and name HN )) ( segid " " and resid 84 and name HG1%) 2.500 0.800 0.800 peak 120 spectrum 1 weight 0.10000E+01 volume 0.32828E-02 ppm1 9.660 ppm2 0.916 CV 1 OR { 120} (( segid " " and resid 85 and name HN )) ( segid " " and resid 84 and name HG2%) OR { 120} (( segid " " and resid 85 and name HN )) ( segid " " and resid 102 and name HG2%) ASSI { 133} (( segid " " and resid 66 and name HN )) ( segid " " and resid 56 and name HG1%) 3.000 1.100 1.100 peak 133 spectrum 1 weight 0.10000E+01 volume 0.10958E-02 ppm1 7.979 ppm2 0.934 CV 1 OR { 133} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HG11)) ASSI { 134} (( segid " " and resid 104 and name HN )) ( segid " " and resid 80 and name HG1%) 3.100 1.200 1.200 peak 134 spectrum 1 weight 0.10000E+01 volume 0.95181E-03 ppm1 8.152 ppm2 0.934 CV 1 OR { 134} (( segid " " and resid 104 and name HN )) ( segid " " and resid 102 and name HG2%) OR { 134} (( segid " " and resid 104 and name HN )) ( segid " " and resid 80 and name HG2%) OR { 134} (( segid " " and resid 104 and name HN )) ( segid " " and resid 45 and name HD1%) OR { 134} (( segid " " and resid 104 and name HN )) ( segid " " and resid 84 and name HG2%) OR { 134} (( segid " " and resid 104 and name HN )) ( segid " " and resid 118 and name HG2%) ASSI { 135} (( segid " " and resid 83 and name HN )) ( segid " " and resid 84 and name HG2%) 3.000 1.100 1.100 peak 135 spectrum 1 weight 0.10000E+01 volume 0.11446E-02 ppm1 8.773 ppm2 0.936 CV 1 OR { 135} (( segid " " and resid 83 and name HN )) ( segid " " and resid 102 and name HG2%) OR { 135} (( segid " " and resid 83 and name HN )) ( segid " " and resid 80 and name HG1%) OR { 135} (( segid " " and resid 41 and name HN )) ( segid " " and resid 58 and name HG1%) OR { 135} (( segid " " and resid 83 and name HN )) ( segid " " and resid 84 and name HG1%) OR { 135} (( segid " " and resid 83 and name HN )) (( segid " " and resid 74 and name HB2 )) ASSI { 136} (( segid " " and resid 82 and name HN )) ( segid " " and resid 80 and name HG1%) 3.100 1.200 1.200 peak 136 spectrum 1 weight 0.10000E+01 volume 0.90748E-03 ppm1 9.342 ppm2 0.936 CV 1 OR { 136} (( segid " " and resid 82 and name HN )) (( segid " " and resid 74 and name HB2 )) OR { 136} (( segid " " and resid 82 and name HN )) ( segid " " and resid 84 and name HG2%) ASSI { 138} (( segid " " and resid 103 and name HN )) ( segid " " and resid 102 and name HG2%) 2.800 0.800 1.000 peak 138 spectrum 1 weight 0.10000E+01 volume 0.32327E-02 ppm1 9.229 ppm2 0.938 CV 1 OR { 138} (( segid " " and resid 103 and name HN )) ( segid " " and resid 84 and name HG2%) OR { 138} (( segid " " and resid 103 and name HN )) ( segid " " and resid 84 and name HG1%) ASSI { 143} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB2 )) 3.000 1.100 1.100 peak 143 spectrum 1 weight 0.10000E+01 volume 0.12113E-02 ppm1 9.082 ppm2 0.951 CV 1 OR { 143} (( segid " " and resid 107 and name HN )) ( segid " " and resid 80 and name HG1%) OR { 143} (( segid " " and resid 75 and name HN )) ( segid " " and resid 84 and name HG2%) ASSI { 145} (( segid " " and resid 131 and name HN )) ( segid " " and resid 102 and name HG2%) 2.900 1.100 1.100 peak 145 spectrum 1 weight 0.10000E+01 volume 0.13904E-02 ppm1 9.166 ppm2 0.955 CV 1 OR { 145} (( segid " " and resid 131 and name HN )) ( segid " " and resid 80 and name HG1%) OR { 145} (( segid " " and resid 131 and name HN )) ( segid " " and resid 84 and name HG2%) OR { 145} (( segid " " and resid 131 and name HN )) ( segid " " and resid 122 and name HD2%) OR { 145} (( segid " " and resid 131 and name HN )) ( segid " " and resid 58 and name HG1%) OR { 145} (( segid " " and resid 131 and name HN )) ( segid " " and resid 118 and name HG2%) ASSI { 152} (( segid " " and resid 21 and name HN )) (( segid " " and resid 137 and name HG )) 3.000 1.100 1.100 peak 152 spectrum 1 weight 0.10000E+01 volume 0.11411E-02 ppm1 8.518 ppm2 0.969 CV 1 OR { 152} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HG )) OR { 152} (( segid " " and resid 21 and name HN )) ( segid " " and resid 137 and name HD1%) ASSI { 157} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB1 )) 2.500 0.800 0.800 peak 157 spectrum 1 weight 0.10000E+01 volume 0.32211E-02 ppm1 8.371 ppm2 1.002 CV 1 OR { 157} (( segid " " and resid 122 and name HN )) ( segid " " and resid 122 and name HD1%) ASSI { 167} (( segid " " and resid 114 and name HN )) ( segid " " and resid 108 and name HG2%) 3.000 3.000 3.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.11860E-02 ppm1 8.361 ppm2 1.053 CV 1 OR { 167} (( segid " " and resid 114 and name HN )) ( segid " " and resid 135 and name HG2%) OR { 167} (( segid " " and resid 5 and name HN )) (( segid " " and resid 22 and name HG )) ASSI { 169} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HG1%) 2.900 1.000 1.000 peak 169 spectrum 1 weight 0.10000E+01 volume 0.15199E-02 ppm1 9.124 ppm2 1.055 CV 1 OR { 169} (( segid " " and resid 33 and name HN )) (( segid " " and resid 40 and name HB1 )) ASSI { 171} (( segid " " and resid 34 and name HN )) ( segid " " and resid 33 and name HG1%) 2.600 0.800 0.800 peak 171 spectrum 1 weight 0.10000E+01 volume 0.30374E-02 ppm1 8.550 ppm2 1.061 CV 1 OR { 171} (( segid " " and resid 34 and name HN )) (( segid " " and resid 40 and name HB1 )) ASSI { 179} (( segid " " and resid 139 and name HN )) ( segid " " and resid 135 and name HG2%) 2.800 1.000 1.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.17128E-02 ppm1 7.611 ppm2 1.076 CV 1 OR { 179} (( segid " " and resid 139 and name HN )) ( segid " " and resid 108 and name HG2%) ASSI { 182} (( segid " " and resid 135 and name HN )) ( segid " " and resid 135 and name HG2%) 2.300 0.600 0.600 peak 182 spectrum 1 weight 0.10000E+01 volume 0.64563E-02 ppm1 9.210 ppm2 1.077 CV 1 OR { 182} (( segid " " and resid 135 and name HN )) ( segid " " and resid 108 and name HG2%) ASSI { 188} (( segid " " and resid 134 and name HN )) (( segid " " and resid 106 and name HB )) 3.100 1.200 1.200 peak 188 spectrum 1 weight 0.10000E+01 volume 0.96890E-03 ppm1 9.566 ppm2 1.086 CV 1 OR { 188} (( segid " " and resid 134 and name HN )) ( segid " " and resid 108 and name HG2%) OR { 188} (( segid " " and resid 134 and name HN )) ( segid " " and resid 135 and name HG2%) ASSI { 189} (( segid " " and resid 67 and name HN )) ( segid " " and resid 58 and name HG2%) 3.200 1.300 1.300 peak 189 spectrum 1 weight 0.10000E+01 volume 0.82066E-03 ppm1 9.232 ppm2 1.089 CV 1 OR { 189} (( segid " " and resid 67 and name HN )) ( segid " " and resid 129 and name HD2%) ASSI { 191} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HB )) 2.900 1.000 1.000 peak 191 spectrum 1 weight 0.10000E+01 volume 0.14546E-02 ppm1 9.090 ppm2 1.118 CV 1 OR { 191} (( segid " " and resid 107 and name HN )) ( segid " " and resid 135 and name HG2%) ASSI { 192} (( segid " " and resid 106 and name HN )) (( segid " " and resid 106 and name HB )) 2.500 0.800 0.800 peak 192 spectrum 1 weight 0.10000E+01 volume 0.33029E-02 ppm1 8.374 ppm2 1.119 CV 1 OR { 192} (( segid " " and resid 106 and name HN )) ( segid " " and resid 135 and name HG2%) ASSI { 196} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HB )) 2.900 1.100 1.100 peak 196 spectrum 1 weight 0.10000E+01 volume 0.13154E-02 ppm1 9.085 ppm2 1.145 CV 1 OR { 196} (( segid " " and resid 75 and name HN )) ( segid " " and resid 83 and name HD2%) ASSI { 213} (( segid " " and resid 58 and name HN )) ( segid " " and resid 56 and name HG2%) 2.300 2.300 3.700 peak 213 spectrum 1 weight 0.10000E+01 volume 0.56062E-02 ppm1 7.529 ppm2 1.199 CV 1 OR { 213} (( segid " " and resid 58 and name HN )) ( segid " " and resid 67 and name HB% ) ASSI { 217} (( segid " " and resid 66 and name HN )) ( segid " " and resid 56 and name HG2%) 3.100 1.200 1.200 peak 217 spectrum 1 weight 0.10000E+01 volume 0.10087E-02 ppm1 7.984 ppm2 1.205 CV 1 OR { 217} (( segid " " and resid 66 and name HN )) ( segid " " and resid 67 and name HB% ) ASSI { 218} (( segid " " and resid 68 and name HN )) ( segid " " and resid 67 and name HB% ) 2.500 2.500 3.500 peak 218 spectrum 1 weight 0.10000E+01 volume 0.30731E-02 ppm1 8.802 ppm2 1.206 CV 1 OR { 218} (( segid " " and resid 68 and name HN )) ( segid " " and resid 56 and name HG2%) ASSI { 232} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HG )) 3.200 1.300 1.300 peak 232 spectrum 1 weight 0.10000E+01 volume 0.78202E-03 ppm1 7.554 ppm2 1.255 CV 1 OR { 232} (( segid " " and resid 26 and name HN )) (( segid " " and resid 22 and name HB1 )) ASSI { 233} (( segid " " and resid 62 and name HN )) ( segid " " and resid 63 and name HG2%) 3.300 1.300 1.300 peak 233 spectrum 1 weight 0.10000E+01 volume 0.70063E-03 ppm1 8.909 ppm2 1.259 CV 1 OR { 233} (( segid " " and resid 62 and name HN )) ( segid " " and resid 67 and name HB% ) ASSI { 234} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG2 )) 2.600 0.800 0.800 peak 234 spectrum 1 weight 0.10000E+01 volume 0.27369E-02 ppm1 7.983 ppm2 1.265 CV 1 OR { 234} (( segid " " and resid 60 and name HN )) ( segid " " and resid 67 and name HB% ) ASSI { 246} (( segid " " and resid 34 and name HN )) (( segid " " and resid 41 and name HG11)) 2.900 2.900 3.100 peak 246 spectrum 1 weight 0.10000E+01 volume 0.14699E-02 ppm1 8.547 ppm2 1.346 CV 1 OR { 246} (( segid " " and resid 34 and name HN )) (( segid " " and resid 117 and name HB2 )) ASSI { 251} (( segid " " and resid 76 and name HN )) ( segid " " and resid 11 and name HG1%) 2.400 0.700 0.700 peak 251 spectrum 1 weight 0.10000E+01 volume 0.43504E-02 ppm1 8.982 ppm2 1.384 CV 1 OR { 251} (( segid " " and resid 76 and name HN )) (( segid " " and resid 81 and name HG )) ASSI { 253} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HG )) 2.600 2.600 3.400 peak 253 spectrum 1 weight 0.10000E+01 volume 0.29907E-02 ppm1 8.384 ppm2 1.388 CV 1 OR { 253} (( segid " " and resid 81 and name HN )) ( segid " " and resid 11 and name HG1%) ASSI { 255} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HG )) 3.000 1.200 1.200 peak 255 spectrum 1 weight 0.10000E+01 volume 0.10755E-02 ppm1 8.850 ppm2 1.390 CV 1 OR { 255} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HG11)) OR { 255} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HB2 )) OR { 255} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HG11)) ASSI { 256} (( segid " " and resid 10 and name HN )) ( segid " " and resid 11 and name HG1%) 3.100 3.100 2.900 peak 256 spectrum 1 weight 0.10000E+01 volume 0.94024E-03 ppm1 7.688 ppm2 1.394 CV 1 OR { 256} (( segid " " and resid 10 and name HN )) (( segid " " and resid 81 and name HG )) ASSI { 258} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB2 )) 2.600 0.800 0.800 peak 258 spectrum 1 weight 0.10000E+01 volume 0.28058E-02 ppm1 7.870 ppm2 1.406 CV 1 OR { 258} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HG1 )) ASSI { 259} (( segid " " and resid 82 and name HN )) (( segid " " and resid 74 and name HG )) 3.000 1.200 1.200 peak 259 spectrum 1 weight 0.10000E+01 volume 0.10615E-02 ppm1 9.338 ppm2 1.410 CV 1 OR { 259} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HG )) OR { 259} (( segid " " and resid 82 and name HN )) ( segid " " and resid 11 and name HG1%) ASSI { 260} (( segid " " and resid 139 and name HN )) (( segid " " and resid 137 and name HB2 )) 3.300 1.200 1.200 peak 260 spectrum 1 weight 0.10000E+01 volume 0.92922E-03 ppm1 7.608 ppm2 1.416 CV 1 OR { 260} (( segid " " and resid 139 and name HN )) (( segid " " and resid 81 and name HG )) OR { 260} (( segid " " and resid 139 and name HN )) ( segid " " and resid 11 and name HG1%) ASSI { 262} (( segid " " and resid 35 and name HN )) (( segid " " and resid 40 and name HB2 )) 2.800 1.000 1.000 peak 262 spectrum 1 weight 0.10000E+01 volume 0.16768E-02 ppm1 8.650 ppm2 1.420 CV 1 OR { 262} (( segid " " and resid 35 and name HN )) (( segid " " and resid 41 and name HG11)) OR { 262} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HG11)) ASSI { 269} (( segid " " and resid 33 and name HN )) (( segid " " and resid 40 and name HB2 )) 3.000 1.100 1.100 peak 269 spectrum 1 weight 0.10000E+01 volume 0.12359E-02 ppm1 9.130 ppm2 1.430 CV 1 OR { 269} (( segid " " and resid 33 and name HN )) (( segid " " and resid 43 and name HG11)) ASSI { 273} (( segid " " and resid 52 and name HN )) (( segid " " and resid 50 and name HG1 )) 3.100 3.100 2.900 peak 273 spectrum 1 weight 0.10000E+01 volume 0.95301E-03 ppm1 7.699 ppm2 1.438 CV 1 OR { 273} (( segid " " and resid 52 and name HN )) (( segid " " and resid 43 and name HG11)) ASSI { 278} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HG1 )) 2.700 0.900 0.900 peak 278 spectrum 1 weight 0.10000E+01 volume 0.20814E-02 ppm1 7.550 ppm2 1.441 CV 1 OR { 278} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HG2 )) OR { 278} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB2 )) ASSI { 282} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HG )) 3.000 3.000 3.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.11608E-02 ppm1 8.305 ppm2 1.464 CV 1 OR { 282} (( segid " " and resid 74 and name HN )) (( segid " " and resid 83 and name HB2 )) OR { 282} (( segid " " and resid 74 and name HN )) (( segid " " and resid 83 and name HB1 )) ASSI { 285} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HG1 )) 2.900 1.100 1.100 peak 285 spectrum 1 weight 0.10000E+01 volume 0.12920E-02 ppm1 7.880 ppm2 1.478 CV 1 OR { 285} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HG2 )) OR { 285} (( segid " " and resid 25 and name HN )) (( segid " " and resid 22 and name HB2 )) OR { 285} (( segid " " and resid 25 and name HN )) (( segid " " and resid 137 and name HB1 )) ASSI { 290} (( segid " " and resid 116 and name HN )) (( segid " " and resid 116 and name HB2 )) 2.600 0.800 0.800 peak 290 spectrum 1 weight 0.10000E+01 volume 0.28129E-02 ppm1 7.588 ppm2 1.501 CV 1 OR { 290} (( segid " " and resid 116 and name HN )) (( segid " " and resid 117 and name HG1 )) ASSI { 291} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HB1 )) 2.500 0.800 0.800 peak 291 spectrum 1 weight 0.10000E+01 volume 0.36388E-02 ppm1 8.468 ppm2 1.506 CV 1 OR { 291} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HG1 )) OR { 291} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HG2 )) OR { 291} (( segid " " and resid 95 and name HN )) (( segid " " and resid 97 and name HB2 )) ASSI { 294} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB )) 2.200 0.600 0.600 peak 294 spectrum 1 weight 0.10000E+01 volume 0.67271E-02 ppm1 8.648 ppm2 1.516 CV 1 OR { 294} (( segid " " and resid 35 and name HN )) ( segid " " and resid 34 and name HB% ) ASSI { 297} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HB1 )) 2.900 1.000 1.000 peak 297 spectrum 1 weight 0.10000E+01 volume 0.14762E-02 ppm1 7.397 ppm2 1.518 CV 1 OR { 297} (( segid " " and resid 138 and name HN )) (( segid " " and resid 81 and name HB2 )) ASSI { 299} (( segid " " and resid 118 and name HN )) (( segid " " and resid 117 and name HG1 )) 3.000 3.000 3.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.11361E-02 ppm1 8.945 ppm2 1.519 CV 1 OR { 299} (( segid " " and resid 118 and name HN )) (( segid " " and resid 120 and name HB )) OR { 299} (( segid " " and resid 118 and name HN )) (( segid " " and resid 116 and name HB2 )) OR { 299} (( segid " " and resid 118 and name HN )) ( segid " " and resid 34 and name HB% ) OR { 299} (( segid " " and resid 118 and name HN )) (( segid " " and resid 41 and name HB )) OR { 299} (( segid " " and resid 118 and name HN )) (( segid " " and resid 43 and name HB )) ASSI { 301} (( segid " " and resid 133 and name HE1 )) ( segid " " and resid 113 and name HB% ) 3.100 1.200 1.200 peak 301 spectrum 1 weight 0.10000E+01 volume 0.91656E-03 ppm1 9.691 ppm2 1.520 CV 1 OR { 301} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 137 and name HB1 )) OR { 301} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 117 and name HG1 )) OR { 301} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 45 and name HG12)) OR { 301} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 116 and name HB2 )) ASSI { 303} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HG )) 2.800 1.000 1.000 peak 303 spectrum 1 weight 0.10000E+01 volume 0.16218E-02 ppm1 9.444 ppm2 1.526 CV 1 OR { 303} (( segid " " and resid 123 and name HN )) (( segid " " and resid 124 and name HG2 )) ASSI { 304} (( segid " " and resid 31 and name HN )) (( segid " " and resid 51 and name HB2 )) 3.100 1.200 1.200 peak 304 spectrum 1 weight 0.10000E+01 volume 0.91462E-03 ppm1 9.168 ppm2 1.529 CV 1 OR { 304} (( segid " " and resid 31 and name HN )) (( segid " " and resid 43 and name HB )) ASSI { 305} (( segid " " and resid 83 and name HN )) (( segid " " and resid 103 and name HB )) 2.900 1.000 1.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.15536E-02 ppm1 8.821 ppm2 1.534 CV 1 OR { 305} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB2 )) ASSI { 306} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HB2 )) 3.000 1.100 1.100 peak 306 spectrum 1 weight 0.10000E+01 volume 0.11549E-02 ppm1 8.659 ppm2 1.537 CV 1 OR { 306} (( segid " " and resid 130 and name HN )) (( segid " " and resid 122 and name HG )) OR { 306} (( segid " " and resid 130 and name HN )) (( segid " " and resid 100 and name HG1 )) ASSI { 307} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HB2 )) 2.900 1.000 1.000 peak 307 spectrum 1 weight 0.10000E+01 volume 0.14802E-02 ppm1 9.396 ppm2 1.540 CV 1 OR { 307} (( segid " " and resid 129 and name HN )) (( segid " " and resid 100 and name HG1 )) ASSI { 308} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB )) 2.700 0.900 0.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.24186E-02 ppm1 9.225 ppm2 1.544 CV 1 OR { 308} (( segid " " and resid 103 and name HN )) (( segid " " and resid 83 and name HB2 )) ASSI { 323} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HG1 )) 2.800 0.900 0.900 peak 323 spectrum 1 weight 0.10000E+01 volume 0.19219E-02 ppm1 8.472 ppm2 1.594 CV 1 OR { 323} (( segid " " and resid 100 and name HN )) (( segid " " and resid 129 and name HB2 )) ASSI { 326} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB2 )) 2.700 0.900 0.900 peak 326 spectrum 1 weight 0.10000E+01 volume 0.23118E-02 ppm1 7.641 ppm2 1.597 CV 1 OR { 326} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB2 )) ASSI { 334} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HB2 )) 2.900 2.900 3.100 peak 334 spectrum 1 weight 0.10000E+01 volume 0.14226E-02 ppm1 9.451 ppm2 1.641 CV 1 OR { 334} (( segid " " and resid 123 and name HN )) (( segid " " and resid 100 and name HG1 )) ASSI { 337} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HB2 )) 3.000 1.200 1.200 peak 337 spectrum 1 weight 0.10000E+01 volume 0.10620E-02 ppm1 9.445 ppm2 1.669 CV 1 OR { 337} (( segid " " and resid 123 and name HN )) (( segid " " and resid 124 and name HG1 )) ASSI { 338} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HD1 )) 3.000 1.100 1.100 peak 338 spectrum 1 weight 0.10000E+01 volume 0.11093E-02 ppm1 7.975 ppm2 1.678 CV 1 OR { 338} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HD2 )) OR { 338} (( segid " " and resid 60 and name HN )) ( segid " " and resid 89 and name HB% ) ASSI { 340} (( segid " " and resid 130 and name HN )) (( segid " " and resid 122 and name HB2 )) 3.000 3.000 3.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.12089E-02 ppm1 8.664 ppm2 1.683 CV 1 OR { 340} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HG )) ASSI { 353} (( segid " " and resid 87 and name HN )) (( segid " " and resid 100 and name HD1 )) 3.100 3.100 2.900 peak 353 spectrum 1 weight 0.10000E+01 volume 0.10164E-02 ppm1 9.721 ppm2 1.728 CV 1 OR { 353} (( segid " " and resid 87 and name HN )) (( segid " " and resid 97 and name HB1 )) ASSI { 354} (( segid " " and resid 99 and name HN )) ( segid " " and resid 89 and name HB% ) 2.900 1.000 1.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.15365E-02 ppm1 8.881 ppm2 1.731 CV 1 OR { 354} (( segid " " and resid 99 and name HN )) (( segid " " and resid 97 and name HB1 )) ASSI { 357} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB1 )) 2.900 1.100 1.100 peak 357 spectrum 1 weight 0.10000E+01 volume 0.12997E-02 ppm1 9.090 ppm2 1.738 CV 1 OR { 357} (( segid " " and resid 75 and name HN )) (( segid " " and resid 81 and name HB1 )) OR { 357} (( segid " " and resid 75 and name HN )) (( segid " " and resid 83 and name HG )) OR { 357} (( segid " " and resid 75 and name HN )) (( segid " " and resid 82 and name HB2 )) ASSI { 359} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB1 )) 2.500 0.800 0.800 peak 359 spectrum 1 weight 0.10000E+01 volume 0.36633E-02 ppm1 7.870 ppm2 1.750 CV 1 OR { 359} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HB2 )) ASSI { 361} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB2 )) 2.800 0.900 1.000 peak 361 spectrum 1 weight 0.10000E+01 volume 0.72385E-02 ppm1 7.546 ppm2 1.756 CV 1 OR { 361} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB1 )) ASSI { 362} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB2 )) 2.200 0.600 0.600 peak 362 spectrum 1 weight 0.10000E+01 volume 0.65408E-02 ppm1 8.113 ppm2 1.764 CV 1 OR { 362} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB1 )) OR { 362} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB1 )) OR { 362} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HD2 )) ASSI { 366} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB1 )) 2.800 1.000 1.000 peak 366 spectrum 1 weight 0.10000E+01 volume 0.16752E-02 ppm1 7.681 ppm2 1.788 CV 1 OR { 366} (( segid " " and resid 52 and name HN )) (( segid " " and resid 50 and name HB2 )) OR { 366} (( segid " " and resid 52 and name HN )) (( segid " " and resid 50 and name HB1 )) ASSI { 367} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB1 )) 2.400 0.700 0.700 peak 367 spectrum 1 weight 0.10000E+01 volume 0.43157E-02 ppm1 7.643 ppm2 1.790 CV 1 OR { 367} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HB2 )) OR { 367} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HB1 )) OR { 367} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HD1 )) ASSI { 368} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HG )) 2.800 1.000 1.000 peak 368 spectrum 1 weight 0.10000E+01 volume 0.18795E-02 ppm1 8.818 ppm2 1.793 CV 1 OR { 368} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HB2 )) ASSI { 375} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HD2 )) 2.900 2.900 3.100 peak 375 spectrum 1 weight 0.10000E+01 volume 0.12785E-02 ppm1 8.533 ppm2 1.817 CV 1 OR { 375} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HD1 )) ASSI { 376} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HD2 )) 2.700 0.900 0.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.22335E-02 ppm1 9.022 ppm2 1.818 CV 1 OR { 376} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HD1 )) ASSI { 378} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HG2 )) 2.400 0.700 0.700 peak 378 spectrum 1 weight 0.10000E+01 volume 0.48384E-02 ppm1 8.114 ppm2 1.832 CV 1 OR { 378} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HB2 )) ASSI { 384} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB2 )) 2.400 0.700 0.700 peak 384 spectrum 1 weight 0.10000E+01 volume 0.47964E-02 ppm1 7.985 ppm2 1.871 CV 1 OR { 384} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB2 )) ASSI { 388} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HG2 )) 2.900 2.900 3.100 peak 388 spectrum 1 weight 0.10000E+01 volume 0.12993E-02 ppm1 8.991 ppm2 1.875 CV 1 OR { 388} (( segid " " and resid 140 and name HN )) (( segid " " and resid 141 and name HB2 )) ASSI { 393} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB )) 2.500 0.800 0.800 peak 393 spectrum 1 weight 0.10000E+01 volume 0.35411E-02 ppm1 8.613 ppm2 1.899 CV 1 OR { 393} (( segid " " and resid 77 and name HN )) (( segid " " and resid 82 and name HB1 )) ASSI { 401} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HB2 )) 2.700 0.900 0.900 peak 401 spectrum 1 weight 0.10000E+01 volume 0.21540E-02 ppm1 8.880 ppm2 1.915 CV 1 OR { 401} (( segid " " and resid 99 and name HN )) (( segid " " and resid 100 and name HB1 )) ASSI { 406} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HB )) 3.100 1.200 1.200 peak 406 spectrum 1 weight 0.10000E+01 volume 0.95154E-03 ppm1 9.223 ppm2 1.936 CV 1 OR { 406} (( segid " " and resid 103 and name HN )) (( segid " " and resid 82 and name HB1 )) ASSI { 408} (( segid " " and resid 18 and name HN )) (( segid " " and resid 140 and name HG1 )) 3.100 1.200 1.200 peak 408 spectrum 1 weight 0.10000E+01 volume 0.98810E-03 ppm1 7.874 ppm2 1.948 CV 1 OR { 408} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HB1 )) OR { 408} (( segid " " and resid 18 and name HN )) (( segid " " and resid 142 and name HB2 )) ASSI { 419} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HG1 )) 2.900 2.900 3.100 peak 419 spectrum 1 weight 0.10000E+01 volume 0.15492E-02 ppm1 8.988 ppm2 2.006 CV 1 OR { 419} (( segid " " and resid 140 and name HN )) (( segid " " and resid 142 and name HB2 )) ASSI { 424} (( segid " " and resid 142 and name HN )) (( segid " " and resid 140 and name HG1 )) 3.000 1.200 0.800 peak 424 spectrum 1 weight 0.10000E+01 volume 0.36206E-02 ppm1 8.575 ppm2 2.031 CV 1 OR { 424} (( segid " " and resid 142 and name HN )) (( segid " " and resid 142 and name HB1 )) ASSI { 439} (( segid " " and resid 82 and name HE22)) (( segid " " and resid 82 and name HG2 )) 2.800 1.000 1.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.16036E-02 ppm1 6.715 ppm2 2.096 CV 1 OR { 439} (( segid " " and resid 82 and name HE22)) (( segid " " and resid 80 and name HB )) ASSI { 444} (( segid " " and resid 82 and name HE21)) (( segid " " and resid 82 and name HG2 )) 3.100 1.200 1.200 peak 444 spectrum 1 weight 0.10000E+01 volume 0.10147E-02 ppm1 6.611 ppm2 2.118 CV 1 OR { 444} (( segid " " and resid 82 and name HE21)) (( segid " " and resid 80 and name HB )) ASSI { 453} (( segid " " and resid 82 and name HE22)) (( segid " " and resid 82 and name HG2 )) 2.700 0.900 0.900 peak 453 spectrum 1 weight 0.10000E+01 volume 0.22102E-02 ppm1 6.713 ppm2 2.161 CV 1 OR { 453} (( segid " " and resid 82 and name HE22)) (( segid " " and resid 82 and name HG1 )) OR { 453} (( segid " " and resid 82 and name HE22)) (( segid " " and resid 80 and name HB )) ASSI { 456} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HB1 )) 2.200 0.600 0.600 peak 456 spectrum 1 weight 0.10000E+01 volume 0.71365E-02 ppm1 8.453 ppm2 2.172 CV 1 OR { 456} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HB1 )) ASSI { 460} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HG2 )) 3.000 1.100 1.100 peak 460 spectrum 1 weight 0.10000E+01 volume 0.11038E-02 ppm1 7.975 ppm2 2.178 CV 1 OR { 460} (( segid " " and resid 60 and name HN )) (( segid " " and resid 64 and name HB1 )) OR { 460} (( segid " " and resid 60 and name HN )) (( segid " " and resid 64 and name HB2 )) ASSI { 464} (( segid " " and resid 73 and name HE22)) (( segid " " and resid 73 and name HB1 )) 2.900 1.100 1.100 peak 464 spectrum 1 weight 0.10000E+01 volume 0.13733E-02 ppm1 7.660 ppm2 2.200 CV 1 OR { 464} (( segid " " and resid 73 and name HE22)) (( segid " " and resid 6 and name HB1 )) OR { 464} (( segid " " and resid 73 and name HE22)) (( segid " " and resid 6 and name HB2 )) ASSI { 466} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HG2 )) 3.100 1.200 1.200 peak 466 spectrum 1 weight 0.10000E+01 volume 0.91893E-03 ppm1 9.578 ppm2 2.208 CV 1 OR { 466} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HG1 )) OR { 466} (( segid " " and resid 9 and name HN )) (( segid " " and resid 6 and name HB1 )) OR { 466} (( segid " " and resid 105 and name HN )) (( segid " " and resid 82 and name HG1 )) OR { 466} (( segid " " and resid 9 and name HN )) (( segid " " and resid 6 and name HB2 )) OR { 466} (( segid " " and resid 9 and name HN )) (( segid " " and resid 11 and name HB )) ASSI { 467} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB )) 2.900 1.100 1.100 peak 467 spectrum 1 weight 0.10000E+01 volume 0.13905E-02 ppm1 8.806 ppm2 2.212 CV 1 OR { 467} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HG1 )) ASSI { 469} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HG1 )) 3.000 1.100 1.100 peak 469 spectrum 1 weight 0.10000E+01 volume 0.11524E-02 ppm1 9.347 ppm2 2.220 CV 1 OR { 469} (( segid " " and resid 82 and name HN )) (( segid " " and resid 11 and name HB )) OR { 469} (( segid " " and resid 82 and name HN )) (( segid " " and resid 75 and name HG1 )) OR { 469} (( segid " " and resid 82 and name HN )) (( segid " " and resid 75 and name HG2 )) ASSI { 472} (( segid " " and resid 84 and name HN )) (( segid " " and resid 73 and name HB1 )) 2.900 1.000 1.000 peak 472 spectrum 1 weight 0.10000E+01 volume 0.14702E-02 ppm1 9.588 ppm2 2.234 CV 1 OR { 472} (( segid " " and resid 84 and name HN )) (( segid " " and resid 82 and name HG1 )) OR { 472} (( segid " " and resid 84 and name HN )) (( segid " " and resid 75 and name HG1 )) ASSI { 473} (( segid " " and resid 124 and name HN )) (( segid " " and resid 125 and name HB2 )) 3.000 3.000 3.000 peak 473 spectrum 1 weight 0.10000E+01 volume 0.11152E-02 ppm1 9.022 ppm2 2.238 CV 1 OR { 473} (( segid " " and resid 78 and name HN )) (( segid " " and resid 14 and name HG1 )) OR { 473} (( segid " " and resid 78 and name HN )) (( segid " " and resid 14 and name HG2 )) OR { 473} (( segid " " and resid 78 and name HN )) (( segid " " and resid 75 and name HG2 )) ASSI { 481} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB )) 2.800 1.000 1.000 peak 481 spectrum 1 weight 0.10000E+01 volume 0.16563E-02 ppm1 8.817 ppm2 2.256 CV 1 OR { 481} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HG1 )) OR { 481} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HG2 )) ASSI { 484} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HB2 )) 2.500 0.800 0.800 peak 484 spectrum 1 weight 0.10000E+01 volume 0.37807E-02 ppm1 8.454 ppm2 2.262 CV 1 OR { 484} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HB2 )) ASSI { 485} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HB2 )) 2.600 2.600 3.400 peak 485 spectrum 1 weight 0.10000E+01 volume 0.29631E-02 ppm1 8.403 ppm2 2.265 CV 1 OR { 485} (( segid " " and resid 7 and name HN )) (( segid " " and resid 10 and name HG2 )) OR { 485} (( segid " " and resid 7 and name HN )) (( segid " " and resid 10 and name HG1 )) ASSI { 488} (( segid " " and resid 73 and name HE22)) (( segid " " and resid 73 and name HB1 )) 2.900 1.000 1.000 peak 488 spectrum 1 weight 0.10000E+01 volume 0.15321E-02 ppm1 7.667 ppm2 2.272 CV 1 OR { 488} (( segid " " and resid 73 and name HE22)) (( segid " " and resid 6 and name HB2 )) ASSI { 489} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB1 )) 2.900 1.000 1.000 peak 489 spectrum 1 weight 0.10000E+01 volume 0.14917E-02 ppm1 8.305 ppm2 2.274 CV 1 OR { 489} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HG1 )) OR { 489} (( segid " " and resid 74 and name HN )) (( segid " " and resid 11 and name HB )) OR { 489} (( segid " " and resid 74 and name HN )) (( segid " " and resid 6 and name HB2 )) OR { 489} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HG2 )) ASSI { 491} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB2 )) 3.000 1.100 1.100 peak 491 spectrum 1 weight 0.10000E+01 volume 0.12437E-02 ppm1 8.207 ppm2 2.278 CV 1 OR { 491} (( segid " " and resid 22 and name HN )) (( segid " " and resid 10 and name HG2 )) OR { 491} (( segid " " and resid 22 and name HN )) (( segid " " and resid 11 and name HB )) ASSI { 515} (( segid " " and resid 15 and name HN )) (( segid " " and resid 13 and name HB2 )) 2.900 1.000 1.000 peak 515 spectrum 1 weight 0.10000E+01 volume 0.15149E-02 ppm1 7.802 ppm2 2.440 CV 1 OR { 515} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB1 )) ASSI { 516} (( segid " " and resid 70 and name HN )) (( segid " " and resid 56 and name HB )) 2.900 2.900 3.100 peak 516 spectrum 1 weight 0.10000E+01 volume 0.14660E-02 ppm1 7.077 ppm2 2.445 CV 1 OR { 516} (( segid " " and resid 70 and name HN )) (( segid " " and resid 52 and name HB2 )) ASSI { 517} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HG1 )) 2.700 2.700 3.300 peak 517 spectrum 1 weight 0.10000E+01 volume 0.19890E-02 ppm1 8.364 ppm2 2.445 CV 1 OR { 517} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HG2 )) OR { 517} (( segid " " and resid 5 and name HN )) (( segid " " and resid 14 and name HB1 )) OR { 517} (( segid " " and resid 114 and name HN )) (( segid " " and resid 133 and name HB2 )) OR { 517} (( segid " " and resid 5 and name HN )) (( segid " " and resid 73 and name HG1 )) OR { 517} (( segid " " and resid 5 and name HN )) (( segid " " and resid 73 and name HG2 )) ASSI { 519} (( segid " " and resid 71 and name HN )) (( segid " " and resid 73 and name HG2 )) 2.500 2.500 3.500 peak 519 spectrum 1 weight 0.10000E+01 volume 0.37286E-02 ppm1 7.382 ppm2 2.446 CV 1 OR { 519} (( segid " " and resid 71 and name HN )) (( segid " " and resid 73 and name HG1 )) OR { 519} (( segid " " and resid 71 and name HN )) (( segid " " and resid 56 and name HB )) OR { 519} (( segid " " and resid 71 and name HN )) (( segid " " and resid 52 and name HB2 )) ASSI { 525} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HG2 )) 3.000 3.000 3.000 peak 525 spectrum 1 weight 0.10000E+01 volume 0.10731E-02 ppm1 8.303 ppm2 2.455 CV 1 OR { 525} (( segid " " and resid 74 and name HN )) (( segid " " and resid 6 and name HG1 )) OR { 525} (( segid " " and resid 74 and name HN )) (( segid " " and resid 6 and name HG2 )) OR { 525} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HG1 )) ASSI { 527} (( segid " " and resid 54 and name HN )) (( segid " " and resid 56 and name HB )) 2.900 2.900 3.100 peak 527 spectrum 1 weight 0.10000E+01 volume 0.13947E-02 ppm1 8.418 ppm2 2.461 CV 1 OR { 527} (( segid " " and resid 54 and name HN )) (( segid " " and resid 52 and name HB2 )) ASSI { 532} (( segid " " and resid 73 and name HE22)) (( segid " " and resid 73 and name HG2 )) 2.400 0.700 0.700 peak 532 spectrum 1 weight 0.10000E+01 volume 0.40036E-02 ppm1 7.666 ppm2 2.471 CV 1 OR { 532} (( segid " " and resid 73 and name HE22)) (( segid " " and resid 73 and name HG1 )) OR { 532} (( segid " " and resid 73 and name HE22)) (( segid " " and resid 6 and name HG1 )) ASSI { 534} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HG1 )) 2.900 2.900 3.100 peak 534 spectrum 1 weight 0.10000E+01 volume 0.13365E-02 ppm1 8.361 ppm2 2.471 CV 1 OR { 534} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HG2 )) OR { 534} (( segid " " and resid 5 and name HN )) (( segid " " and resid 14 and name HB1 )) OR { 534} (( segid " " and resid 5 and name HN )) (( segid " " and resid 73 and name HG1 )) OR { 534} (( segid " " and resid 5 and name HN )) (( segid " " and resid 73 and name HG2 )) OR { 534} (( segid " " and resid 114 and name HN )) (( segid " " and resid 31 and name HB1 )) ASSI { 537} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB1 )) 2.900 1.100 1.100 peak 537 spectrum 1 weight 0.10000E+01 volume 0.13267E-02 ppm1 9.167 ppm2 2.524 CV 1 OR { 537} (( segid " " and resid 31 and name HN )) (( segid " " and resid 52 and name HB2 )) ASSI { 540} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB2 )) 2.800 1.000 1.000 peak 540 spectrum 1 weight 0.10000E+01 volume 0.17398E-02 ppm1 6.783 ppm2 2.529 CV 1 OR { 540} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HB1 )) ASSI { 549} (( segid " " and resid 86 and name HN )) (( segid " " and resid 87 and name HB2 )) 3.100 1.200 1.200 peak 549 spectrum 1 weight 0.10000E+01 volume 0.99884E-03 ppm1 8.422 ppm2 2.555 CV 1 OR { 549} (( segid " " and resid 56 and name HN )) (( segid " " and resid 53 and name HB1 )) ASSI { 556} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HB1 )) 2.800 2.800 3.200 peak 556 spectrum 1 weight 0.10000E+01 volume 0.16959E-02 ppm1 7.964 ppm2 2.605 CV 1 OR { 556} (( segid " " and resid 38 and name HN )) (( segid " " and resid 35 and name HB2 )) ASSI { 562} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HB1 )) 3.000 3.000 3.000 peak 562 spectrum 1 weight 0.10000E+01 volume 0.10924E-02 ppm1 9.081 ppm2 2.671 CV 1 OR { 562} (( segid " " and resid 75 and name HN )) (( segid " " and resid 5 and name HB )) OR { 562} (( segid " " and resid 75 and name HN )) (( segid " " and resid 20 and name HB2 )) ASSI { 564} (( segid " " and resid 99 and name HN )) (( segid " " and resid 91 and name HB1 )) 3.000 1.100 1.100 peak 564 spectrum 1 weight 0.10000E+01 volume 0.11149E-02 ppm1 8.876 ppm2 2.685 CV 1 OR { 564} (( segid " " and resid 99 and name HN )) (( segid " " and resid 127 and name HB2 )) ASSI { 568} (( segid " " and resid 127 and name HN )) (( segid " " and resid 95 and name HB2 )) 3.800 1.500 1.100 peak 568 spectrum 1 weight 0.10000E+01 volume 0.11359E-02 ppm1 8.019 ppm2 2.698 CV 1 OR { 568} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HB2 )) ASSI { 574} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HB2 )) 2.900 1.100 1.100 peak 574 spectrum 1 weight 0.10000E+01 volume 0.12790E-02 ppm1 6.802 ppm2 2.732 CV 1 OR { 574} (( segid " " and resid 108 and name HN )) (( segid " " and resid 110 and name HB2 )) ASSI { 587} (( segid " " and resid 120 and name HN )) (( segid " " and resid 130 and name HB1 )) 3.100 1.200 1.200 peak 587 spectrum 1 weight 0.10000E+01 volume 0.86936E-03 ppm1 8.480 ppm2 2.793 CV 1 OR { 587} (( segid " " and resid 120 and name HN )) (( segid " " and resid 131 and name HB2 )) ASSI { 588} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB1 )) 3.300 1.400 1.400 peak 588 spectrum 1 weight 0.10000E+01 volume 0.66019E-03 ppm1 9.598 ppm2 2.797 CV 1 OR { 588} (( segid " " and resid 9 and name HN )) (( segid " " and resid 7 and name HB1 )) ASSI { 591} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB2 )) 2.600 0.900 0.900 peak 591 spectrum 1 weight 0.10000E+01 volume 0.24581E-02 ppm1 9.157 ppm2 2.807 CV 1 OR { 591} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HB1 )) ASSI { 597} (( segid " " and resid 119 and name HN )) (( segid " " and resid 131 and name HB1 )) 3.100 3.100 2.900 peak 597 spectrum 1 weight 0.10000E+01 volume 0.92389E-03 ppm1 8.867 ppm2 2.831 CV 1 OR { 597} (( segid " " and resid 42 and name HN )) (( segid " " and resid 60 and name HB2 )) OR { 597} (( segid " " and resid 42 and name HN )) (( segid " " and resid 60 and name HB1 )) OR { 597} (( segid " " and resid 119 and name HN )) (( segid " " and resid 131 and name HB2 )) ASSI { 600} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB2 )) 3.000 1.200 1.200 peak 600 spectrum 1 weight 0.10000E+01 volume 0.10560E-02 ppm1 8.374 ppm2 2.846 CV 1 OR { 600} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB1 )) OR { 600} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB1 )) ASSI { 604} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB1 )) 3.000 1.100 1.100 peak 604 spectrum 1 weight 0.10000E+01 volume 0.10854E-02 ppm1 9.574 ppm2 2.863 CV 1 OR { 604} (( segid " " and resid 9 and name HN )) (( segid " " and resid 7 and name HB1 )) ASSI { 609} (( segid " " and resid 108 and name HN )) (( segid " " and resid 110 and name HB1 )) 3.100 3.100 2.900 peak 609 spectrum 1 weight 0.10000E+01 volume 0.92711E-03 ppm1 6.826 ppm2 2.872 CV 1 OR { 609} (( segid " " and resid 108 and name HN )) (( segid " " and resid 134 and name HB2 )) OR { 609} (( segid " " and resid 108 and name HN )) (( segid " " and resid 105 and name HB1 )) ASSI { 616} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HB1 )) 2.600 0.800 0.800 peak 616 spectrum 1 weight 0.10000E+01 volume 0.27841E-02 ppm1 8.452 ppm2 2.886 CV 1 OR { 616} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HB2 )) ASSI { 627} (( segid " " and resid 52 and name HN )) (( segid " " and resid 42 and name HB1 )) 3.000 1.200 1.200 peak 627 spectrum 1 weight 0.10000E+01 volume 0.10798E-02 ppm1 7.644 ppm2 2.925 CV 1 OR { 627} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HE1 )) OR { 627} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HE2 )) OR { 627} (( segid " " and resid 51 and name HN )) (( segid " " and resid 42 and name HB1 )) OR { 627} (( segid " " and resid 52 and name HN )) (( segid " " and resid 42 and name HB2 )) ASSI { 634} (( segid " " and resid 114 and name HD21)) (( segid " " and resid 31 and name HB2 )) 2.900 1.100 1.100 peak 634 spectrum 1 weight 0.10000E+01 volume 0.13204E-02 ppm1 6.222 ppm2 2.946 CV 1 OR { 634} (( segid " " and resid 114 and name HD21)) (( segid " " and resid 117 and name HD1 )) ASSI { 637} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HB2 )) 3.100 3.100 2.900 peak 637 spectrum 1 weight 0.10000E+01 volume 0.93381E-03 ppm1 8.122 ppm2 2.957 CV 1 OR { 637} (( segid " " and resid 30 and name HN )) (( segid " " and resid 50 and name HE1 )) OR { 637} (( segid " " and resid 30 and name HN )) (( segid " " and resid 50 and name HE2 )) OR { 637} (( segid " " and resid 30 and name HN )) (( segid " " and resid 42 and name HB1 )) ASSI { 638} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB1 )) 2.700 0.900 0.900 peak 638 spectrum 1 weight 0.10000E+01 volume 0.22179E-02 ppm1 8.645 ppm2 2.964 CV 1 OR { 638} (( segid " " and resid 43 and name HN )) (( segid " " and resid 31 and name HB2 )) ASSI { 639} (( segid " " and resid 114 and name HD22)) (( segid " " and resid 31 and name HB2 )) 2.600 0.800 0.800 peak 639 spectrum 1 weight 0.10000E+01 volume 0.30451E-02 ppm1 7.489 ppm2 2.965 CV 1 OR { 639} (( segid " " and resid 114 and name HD22)) (( segid " " and resid 117 and name HD1 )) OR { 639} (( segid " " and resid 114 and name HD22)) (( segid " " and resid 27 and name HB1 )) OR { 639} (( segid " " and resid 114 and name HD22)) (( segid " " and resid 27 and name HB2 )) ASSI { 651} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB1 )) 2.900 1.100 1.100 peak 651 spectrum 1 weight 0.10000E+01 volume 0.14048E-02 ppm1 7.682 ppm2 3.021 CV 1 OR { 651} (( segid " " and resid 52 and name HN )) (( segid " " and resid 42 and name HB1 )) ASSI { 656} (( segid " " and resid 43 and name HN )) (( segid " " and resid 52 and name HB1 )) 2.500 2.500 3.500 peak 656 spectrum 1 weight 0.10000E+01 volume 0.33397E-02 ppm1 8.649 ppm2 3.052 CV 1 OR { 656} (( segid " " and resid 43 and name HN )) (( segid " " and resid 64 and name HE1 )) OR { 656} (( segid " " and resid 43 and name HN )) (( segid " " and resid 64 and name HE2 )) OR { 656} (( segid " " and resid 43 and name HN )) (( segid " " and resid 114 and name HB1 )) OR { 656} (( segid " " and resid 35 and name HN )) (( segid " " and resid 64 and name HE1 )) ASSI { 664} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HB2 )) 2.900 1.100 1.100 peak 664 spectrum 1 weight 0.10000E+01 volume 0.13377E-02 ppm1 8.394 ppm2 3.069 CV 1 OR { 664} (( segid " " and resid 110 and name HN )) (( segid " " and resid 115 and name HB2 )) ASSI { 672} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HB1 )) 2.600 0.900 0.900 peak 672 spectrum 1 weight 0.10000E+01 volume 0.26347E-02 ppm1 8.540 ppm2 3.086 CV 1 OR { 672} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HB2 )) ASSI { 676} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HB2 )) 2.800 1.000 1.000 peak 676 spectrum 1 weight 0.10000E+01 volume 0.17489E-02 ppm1 8.982 ppm2 3.099 CV 1 OR { 676} (( segid " " and resid 140 and name HN )) (( segid " " and resid 107 and name HB1 )) ASSI { 688} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HB1 )) 3.100 1.200 1.200 peak 688 spectrum 1 weight 0.10000E+01 volume 0.96063E-03 ppm1 6.803 ppm2 3.133 CV 1 OR { 688} (( segid " " and resid 108 and name HN )) (( segid " " and resid 139 and name HB2 )) OR { 688} (( segid " " and resid 108 and name HN )) (( segid " " and resid 115 and name HB2 )) ASSI { 689} (( segid " " and resid 88 and name HN )) (( segid " " and resid 68 and name HA1 )) 2.800 1.000 1.000 peak 689 spectrum 1 weight 0.10000E+01 volume 0.16467E-02 ppm1 8.076 ppm2 3.139 CV 1 OR { 689} (( segid " " and resid 88 and name HN )) (( segid " " and resid 99 and name HB2 )) OR { 689} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HB1 )) OR { 689} (( segid " " and resid 88 and name HN )) (( segid " " and resid 99 and name HB1 )) ASSI { 695} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HA1 )) 2.600 0.800 0.800 peak 695 spectrum 1 weight 0.10000E+01 volume 0.27889E-02 ppm1 8.801 ppm2 3.167 CV 1 OR { 695} (( segid " " and resid 68 and name HN )) (( segid " " and resid 99 and name HB2 )) OR { 695} (( segid " " and resid 68 and name HN )) (( segid " " and resid 99 and name HB1 )) ASSI { 715} (( segid " " and resid 106 and name HN )) (( segid " " and resid 134 and name HB1 )) 3.100 3.100 2.900 peak 715 spectrum 1 weight 0.10000E+01 volume 0.94070E-03 ppm1 8.392 ppm2 3.336 CV 1 OR { 715} (( segid " " and resid 106 and name HN )) (( segid " " and resid 115 and name HB1 )) ASSI { 749} (( segid " " and resid 126 and name HN )) (( segid " " and resid 127 and name HA )) 3.000 1.100 1.100 peak 749 spectrum 1 weight 0.10000E+01 volume 0.11046E-02 ppm1 7.197 ppm2 3.646 CV 1 OR { 749} (( segid " " and resid 126 and name HN )) (( segid " " and resid 128 and name HB )) ASSI { 752} (( segid " " and resid 123 and name HN )) (( segid " " and resid 128 and name HB )) 3.000 1.200 1.200 peak 752 spectrum 1 weight 0.10000E+01 volume 0.10482E-02 ppm1 9.434 ppm2 3.662 CV 1 OR { 752} (( segid " " and resid 123 and name HN )) (( segid " " and resid 127 and name HA )) ASSI { 753} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HA )) 2.300 0.700 0.700 peak 753 spectrum 1 weight 0.10000E+01 volume 0.58826E-02 ppm1 7.454 ppm2 3.667 CV 1 OR { 753} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HB )) ASSI { 772} (( segid " " and resid 121 and name HN )) (( segid " " and resid 120 and name HA )) 2.900 1.100 1.100 peak 772 spectrum 1 weight 0.10000E+01 volume 0.14066E-02 ppm1 6.701 ppm2 3.779 CV 1 OR { 772} (( segid " " and resid 82 and name HE22)) (( segid " " and resid 104 and name HB1 )) ASSI { 784} (( segid " " and resid 52 and name HN )) (( segid " " and resid 30 and name HA1 )) 3.000 3.000 3.000 peak 784 spectrum 1 weight 0.10000E+01 volume 0.10826E-02 ppm1 7.678 ppm2 3.863 CV 1 OR { 784} (( segid " " and resid 52 and name HN )) (( segid " " and resid 48 and name HA1 )) ASSI { 790} (( segid " " and resid 70 and name HN )) (( segid " " and resid 56 and name HA )) 2.600 0.800 0.800 peak 790 spectrum 1 weight 0.10000E+01 volume 0.28154E-02 ppm1 7.074 ppm2 3.906 CV 1 OR { 790} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB1 )) ASSI { 792} (( segid " " and resid 70 and name HE1 )) (( segid " " and resid 54 and name HB1 )) 3.100 3.100 2.900 peak 792 spectrum 1 weight 0.10000E+01 volume 0.93804E-03 ppm1 10.387 ppm2 3.921 CV 1 OR { 792} (( segid " " and resid 70 and name HE1 )) (( segid " " and resid 56 and name HA )) OR { 792} (( segid " " and resid 70 and name HE1 )) (( segid " " and resid 54 and name HB2 )) OR { 792} (( segid " " and resid 70 and name HE1 )) (( segid " " and resid 30 and name HA1 )) ASSI { 796} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA )) 2.700 0.900 0.900 peak 796 spectrum 1 weight 0.10000E+01 volume 0.24017E-02 ppm1 8.421 ppm2 3.936 CV 1 OR { 796} (( segid " " and resid 86 and name HN )) (( segid " " and resid 69 and name HB2 )) ASSI { 797} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB1 )) 2.800 1.000 1.000 peak 797 spectrum 1 weight 0.10000E+01 volume 0.17861E-02 ppm1 9.724 ppm2 3.936 CV 1 OR { 797} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB2 )) OR { 797} (( segid " " and resid 55 and name HN )) (( segid " " and resid 56 and name HA )) ASSI { 826} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HA )) 2.600 0.900 0.900 peak 826 spectrum 1 weight 0.10000E+01 volume 0.25756E-02 ppm1 7.912 ppm2 4.058 CV 1 OR { 826} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HB1 )) ASSI { 829} (( segid " " and resid 112 and name HN )) (( segid " " and resid 136 and name HD1 )) 2.700 0.900 0.900 peak 829 spectrum 1 weight 0.10000E+01 volume 0.20576E-02 ppm1 8.643 ppm2 4.067 CV 1 OR { 829} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HB1 )) ASSI { 832} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB1 )) 3.100 1.200 1.200 peak 832 spectrum 1 weight 0.10000E+01 volume 0.87917E-03 ppm1 6.868 ppm2 4.078 CV 1 OR { 832} (( segid " " and resid 47 and name HN )) (( segid " " and resid 49 and name HB )) ASSI { 837} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HD1 )) 2.800 1.000 1.000 peak 837 spectrum 1 weight 0.10000E+01 volume 0.18565E-02 ppm1 8.464 ppm2 4.133 CV 1 OR { 837} (( segid " " and resid 137 and name HN )) (( segid " " and resid 112 and name HA1 )) ASSI { 838} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HB )) 3.100 1.200 1.200 peak 838 spectrum 1 weight 0.10000E+01 volume 0.10257E-02 ppm1 6.806 ppm2 4.136 CV 1 OR { 838} (( segid " " and resid 108 and name HN )) (( segid " " and resid 136 and name HD1 )) ASSI { 842} (( segid " " and resid 113 and name HN )) (( segid " " and resid 136 and name HD1 )) 2.500 0.800 0.800 peak 842 spectrum 1 weight 0.10000E+01 volume 0.37166E-02 ppm1 7.890 ppm2 4.179 CV 1 OR { 842} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HA1 )) ASSI { 844} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA2 )) 2.900 1.100 1.100 peak 844 spectrum 1 weight 0.10000E+01 volume 0.13263E-02 ppm1 7.862 ppm2 4.192 CV 1 OR { 844} (( segid " " and resid 25 and name HN )) (( segid " " and resid 23 and name HA )) ASSI { 848} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA2 )) 2.400 0.700 0.700 peak 848 spectrum 1 weight 0.10000E+01 volume 0.46749E-02 ppm1 8.116 ppm2 4.217 CV 1 OR { 848} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HA )) ASSI { 853} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HA )) 2.400 0.700 0.700 peak 853 spectrum 1 weight 0.10000E+01 volume 0.43800E-02 ppm1 6.790 ppm2 4.222 CV 1 OR { 853} (( segid " " and resid 79 and name HN )) (( segid " " and resid 77 and name HA )) ASSI { 859} (( segid " " and resid 80 and name HN )) (( segid " " and resid 78 and name HA )) 3.000 1.100 1.100 peak 859 spectrum 1 weight 0.10000E+01 volume 0.11233E-02 ppm1 7.601 ppm2 4.229 CV 1 OR { 859} (( segid " " and resid 80 and name HN )) (( segid " " and resid 77 and name HA )) ASSI { 862} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HA )) 2.600 0.800 0.800 peak 862 spectrum 1 weight 0.10000E+01 volume 0.29559E-02 ppm1 8.467 ppm2 4.231 CV 1 OR { 862} (( segid " " and resid 137 and name HN )) (( segid " " and resid 112 and name HA1 )) ASSI { 872} (( segid " " and resid 52 and name HN )) (( segid " " and resid 50 and name HA )) 2.900 1.000 1.000 peak 872 spectrum 1 weight 0.10000E+01 volume 0.14712E-02 ppm1 7.680 ppm2 4.259 CV 1 OR { 872} (( segid " " and resid 52 and name HN )) (( segid " " and resid 30 and name HA2 )) ASSI { 873} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HA )) 2.600 0.800 0.800 peak 873 spectrum 1 weight 0.10000E+01 volume 0.29111E-02 ppm1 8.743 ppm2 4.265 CV 1 OR { 873} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HA )) ASSI { 878} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA2 )) 3.000 1.200 1.200 peak 878 spectrum 1 weight 0.10000E+01 volume 0.10609E-02 ppm1 7.874 ppm2 4.275 CV 1 OR { 878} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HA )) ASSI { 887} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA )) 2.900 1.100 1.100 peak 887 spectrum 1 weight 0.10000E+01 volume 0.12833E-02 ppm1 7.975 ppm2 4.310 CV 1 OR { 887} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HA )) ASSI { 888} (( segid " " and resid 88 and name HN )) (( segid " " and resid 88 and name HA1 )) 2.300 0.700 0.700 peak 888 spectrum 1 weight 0.10000E+01 volume 0.55899E-02 ppm1 8.078 ppm2 4.320 CV 1 OR { 888} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HA )) ASSI { 893} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB )) 2.700 0.900 0.900 peak 893 spectrum 1 weight 0.10000E+01 volume 0.23625E-02 ppm1 8.796 ppm2 4.333 CV 1 OR { 893} (( segid " " and resid 17 and name HN )) (( segid " " and resid 13 and name HA )) OR { 893} (( segid " " and resid 17 and name HN )) (( segid " " and resid 14 and name HA )) OR { 893} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HA )) ASSI { 894} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HA )) 2.500 0.800 0.800 peak 894 spectrum 1 weight 0.10000E+01 volume 0.36373E-02 ppm1 6.827 ppm2 4.335 CV 1 OR { 894} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB )) OR { 894} (( segid " " and resid 16 and name HN )) (( segid " " and resid 13 and name HA )) OR { 894} (( segid " " and resid 16 and name HN )) (( segid " " and resid 14 and name HD2 )) ASSI { 900} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA1 )) 2.700 0.900 0.900 peak 900 spectrum 1 weight 0.10000E+01 volume 0.21602E-02 ppm1 8.429 ppm2 4.348 CV 1 OR { 900} (( segid " " and resid 56 and name HN )) (( segid " " and resid 54 and name HA )) OR { 900} (( segid " " and resid 81 and name HN )) (( segid " " and resid 106 and name HA )) ASSI { 901} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HA )) 2.300 0.700 0.700 peak 901 spectrum 1 weight 0.10000E+01 volume 0.55830E-02 ppm1 9.723 ppm2 4.349 CV 1 OR { 901} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HA1 )) ASSI { 903} (( segid " " and resid 70 and name HE1 )) (( segid " " and resid 54 and name HA )) 2.600 0.900 0.900 peak 903 spectrum 1 weight 0.10000E+01 volume 0.26701E-02 ppm1 10.385 ppm2 4.352 CV 1 OR { 903} (( segid " " and resid 70 and name HE1 )) (( segid " " and resid 55 and name HA1 )) ASSI { 915} (( segid " " and resid 12 and name HN )) (( segid " " and resid 19 and name HA )) 3.100 1.200 1.200 peak 915 spectrum 1 weight 0.10000E+01 volume 0.91576E-03 ppm1 8.020 ppm2 4.369 CV 1 OR { 915} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HA )) ASSI { 933} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HA )) 2.500 0.800 0.800 peak 933 spectrum 1 weight 0.10000E+01 volume 0.37686E-02 ppm1 7.993 ppm2 4.430 CV 1 OR { 933} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HA )) ASSI { 948} (( segid " " and resid 73 and name HE21)) (( segid " " and resid 6 and name HA )) 3.100 1.200 1.200 peak 948 spectrum 1 weight 0.10000E+01 volume 0.92830E-03 ppm1 6.938 ppm2 4.463 CV 1 OR { 948} (( segid " " and resid 73 and name HE21)) (( segid " " and resid 74 and name HA )) ASSI { 971} (( segid " " and resid 34 and name HN )) (( segid " " and resid 118 and name HA )) 2.500 2.500 3.500 peak 971 spectrum 1 weight 0.10000E+01 volume 0.32966E-02 ppm1 8.544 ppm2 4.524 CV 1 OR { 971} (( segid " " and resid 34 and name HN )) (( segid " " and resid 41 and name HA )) OR { 971} (( segid " " and resid 34 and name HN )) (( segid " " and resid 42 and name HA )) ASSI { 983} (( segid " " and resid 68 and name HN )) (( segid " " and resid 66 and name HA )) 2.800 1.000 1.000 peak 983 spectrum 1 weight 0.10000E+01 volume 0.15864E-02 ppm1 8.798 ppm2 4.556 CV 1 OR { 983} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HA )) ASSI { 993} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HA2 )) 2.700 0.900 0.900 peak 993 spectrum 1 weight 0.10000E+01 volume 0.21952E-02 ppm1 8.803 ppm2 4.586 CV 1 OR { 993} (( segid " " and resid 68 and name HN )) (( segid " " and resid 66 and name HA )) ASSI { 1031} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HA )) 2.600 0.900 0.900 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.24383E-02 ppm1 8.372 ppm2 4.811 CV 1 OR { 1031} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HA )) ASSI { 1033} (( segid " " and resid 51 and name HN )) (( segid " " and resid 49 and name HA )) 3.000 1.100 1.100 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.10914E-02 ppm1 7.642 ppm2 4.813 CV 1 OR { 1033} (( segid " " and resid 52 and name HN )) (( segid " " and resid 49 and name HA )) ASSI { 1043} (( segid " " and resid 69 and name HN )) (( segid " " and resid 70 and name HA )) 3.000 3.000 3.000 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.11364E-02 ppm1 9.039 ppm2 4.863 CV 1 OR { 1043} (( segid " " and resid 69 and name HN )) (( segid " " and resid 98 and name HA )) ASSI { 1050} (( segid " " and resid 91 and name HN )) (( segid " " and resid 98 and name HA )) 2.400 0.700 0.700 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.40014E-02 ppm1 8.320 ppm2 4.880 CV 1 OR { 1050} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HA )) ASSI { 1060} (( segid " " and resid 82 and name HN )) (( segid " " and resid 76 and name HA )) 2.900 1.100 1.100 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.12963E-02 ppm1 9.340 ppm2 4.910 CV 1 OR { 1060} (( segid " " and resid 82 and name HN )) (( segid " " and resid 83 and name HA )) ASSI { 1079} (( segid " " and resid 123 and name HN )) (( segid " " and resid 130 and name HA )) 3.100 3.100 2.900 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.94070E-03 ppm1 9.446 ppm2 5.132 CV 1 OR { 1079} (( segid " " and resid 123 and name HN )) (( segid " " and resid 99 and name HA )) ASSI { 1089} (( segid " " and resid 121 and name HN )) (( segid " " and resid 122 and name HA )) 3.200 1.300 1.300 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.76210E-03 ppm1 6.703 ppm2 5.173 CV 1 OR { 1089} (( segid " " and resid 121 and name HN )) (( segid " " and resid 130 and name HA )) ASSI { 1093} (( segid " " and resid 101 and name HN )) (( segid " " and resid 86 and name HA )) 2.700 0.900 0.900 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.21808E-02 ppm1 9.045 ppm2 5.213 CV 1 OR { 1093} (( segid " " and resid 101 and name HN )) (( segid " " and resid 85 and name HA )) ASSI { 1111} (( segid " " and resid 83 and name HN )) (( segid " " and resid 104 and name HA )) 3.100 1.200 1.200 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.91822E-03 ppm1 8.814 ppm2 5.346 CV 1 OR { 1111} (( segid " " and resid 41 and name HN )) (( segid " " and resid 60 and name HA )) ASSI { 1118} (( segid " " and resid 42 and name HN )) (( segid " " and resid 60 and name HA )) 2.800 1.000 1.000 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.18621E-02 ppm1 8.862 ppm2 5.396 CV 1 OR { 1118} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HA )) ASSI { 1126} (( segid " " and resid 42 and name HN )) (( segid " " and resid 32 and name HA )) 2.900 1.100 1.100 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.13616E-02 ppm1 8.862 ppm2 5.449 CV 1 OR { 1126} (( segid " " and resid 119 and name HN )) (( segid " " and resid 131 and name HA )) OR { 1126} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HA )) ASSI { 1143} (( segid " " and resid 121 and name HN )) (( segid " " and resid 131 and name HA )) 3.300 1.400 1.400 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.59981E-03 ppm1 6.710 ppm2 5.519 CV 1 OR { 1143} (( segid " " and resid 82 and name HE22)) (( segid " " and resid 105 and name HA )) OR { 1143} (( segid " " and resid 82 and name HE22)) (( segid " " and resid 132 and name HA )) ASSI { 1166} (( segid " " and resid 83 and name HN )) ( segid " " and resid 105 and name HE% ) 3.100 1.200 1.200 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.90821E-03 ppm1 8.817 ppm2 6.577 CV 1 OR { 1166} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HE21)) ASSI { 1172} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HN )) 3.100 1.200 1.200 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.91902E-03 ppm1 8.336 ppm2 6.717 CV 1 OR { 1172} (( segid " " and resid 122 and name HN )) ( segid " " and resid 119 and name HD% ) OR { 1172} (( segid " " and resid 40 and name HN )) ( segid " " and resid 42 and name HE% ) OR { 1172} (( segid " " and resid 40 and name HN )) ( segid " " and resid 35 and name HD% ) ASSI { 1186} (( segid " " and resid 13 and name HD22)) (( segid " " and resid 16 and name HN )) 3.600 1.600 1.600 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.39233E-03 ppm1 9.468 ppm2 6.824 CV 1 OR { 1186} (( segid " " and resid 13 and name HD22)) ( segid " " and resid 76 and name HE% ) ASSI { 1199} (( segid " " and resid 137 and name HN )) (( segid " " and resid 133 and name HD1 )) 2.500 2.500 3.500 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.33915E-02 ppm1 8.465 ppm2 6.957 CV 1 OR { 1199} (( segid " " and resid 137 and name HN )) ( segid " " and resid 20 and name HE% ) ASSI { 1201} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HD1 )) 2.600 0.800 0.800 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.28105E-02 ppm1 9.568 ppm2 6.970 CV 1 OR { 1201} (( segid " " and resid 134 and name HN )) (( segid " " and resid 115 and name HD21)) ASSI { 1207} (( segid " " and resid 131 and name HN )) ( segid " " and resid 131 and name HD% ) 2.600 0.900 0.900 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.26436E-02 ppm1 9.159 ppm2 7.059 CV 1 OR { 1207} (( segid " " and resid 131 and name HN )) ( segid " " and resid 130 and name HD% ) ASSI { 1208} (( segid " " and resid 102 and name HN )) ( segid " " and resid 131 and name HD% ) 3.100 1.200 1.200 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.88001E-03 ppm1 9.265 ppm2 7.066 CV 1 OR { 1208} (( segid " " and resid 102 and name HN )) ( segid " " and resid 130 and name HD% ) ASSI { 1212} (( segid " " and resid 122 and name HN )) ( segid " " and resid 130 and name HD% ) 2.800 2.800 3.200 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.18260E-02 ppm1 8.325 ppm2 7.085 CV 1 OR { 1212} (( segid " " and resid 40 and name HN )) ( segid " " and resid 42 and name HD% ) ASSI { 1246} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HD22)) 3.200 3.200 2.800 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.86138E-03 ppm1 7.988 ppm2 7.549 CV 1 OR { 1246} (( segid " " and resid 66 and name HN )) (( segid " " and resid 58 and name HN )) ASSI { 1263} (( segid " " and resid 7 and name HN )) (( segid " " and resid 73 and name HE22)) 3.100 1.200 1.200 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.87000E-03 ppm1 8.400 ppm2 7.678 CV 1 OR { 1263} (( segid " " and resid 7 and name HN )) (( segid " " and resid 10 and name HN )) ASSI { 1265} (( segid " " and resid 74 and name HN )) (( segid " " and resid 10 and name HN )) 3.000 1.100 1.100 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.11547E-02 ppm1 8.305 ppm2 7.698 CV 1 OR { 1265} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HE22)) ASSI { 1279} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HN )) 3.000 1.100 1.100 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.11091E-02 ppm1 8.379 ppm2 7.950 CV 1 OR { 1279} (( segid " " and resid 91 and name HN )) (( segid " " and resid 97 and name HN )) OR { 1279} (( segid " " and resid 110 and name HN )) (( segid " " and resid 113 and name HN )) ASSI { 1293} (( segid " " and resid 99 and name HN )) (( segid " " and resid 88 and name HN )) 3.000 1.100 1.100 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.10877E-02 ppm1 8.881 ppm2 8.070 CV 1 OR { 1293} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HN )) ASSI { 1302} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HN )) 3.200 1.200 1.200 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.84419E-03 ppm1 9.167 ppm2 8.127 CV 1 OR { 1302} (( segid " " and resid 31 and name HN )) (( segid " " and resid 50 and name HN )) ASSI { 1305} (( segid " " and resid 131 and name HN )) (( segid " " and resid 104 and name HN )) 3.300 1.400 1.400 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.65496E-03 ppm1 9.202 ppm2 8.161 CV 1 OR { 1305} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HN )) ASSI { 1325} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HN )) 3.100 1.200 1.200 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.98415E-03 ppm1 9.089 ppm2 8.392 CV 1 OR { 1325} (( segid " " and resid 107 and name HN )) (( segid " " and resid 81 and name HN )) ASSI { 1382} (( segid " " and resid 43 and name HN )) (( segid " " and resid 32 and name HN )) 2.900 1.000 1.000 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.14358E-02 ppm1 8.649 ppm2 8.923 CV 1 OR { 1382} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HN )) ASSI { 1400} (( segid " " and resid 135 and name HN )) (( segid " " and resid 107 and name HN )) 2.800 2.800 3.200 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.16783E-02 ppm1 9.211 ppm2 9.049 CV 1 OR { 1400} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HN )) ASSI { 1414} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HN )) 3.100 1.200 1.200 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.96256E-03 ppm1 9.012 ppm2 9.231 CV 1 OR { 1414} (( segid " " and resid 133 and name HN )) (( segid " " and resid 135 and name HN )) ASSI { 36} (( segid " " and resid 82 and name HE22)) ( segid " " and resid 106 and name HG2%) 3.000 3.000 3.000 peak 36 spectrum 1 weight 0.10000E+01 volume 0.11215E-02 ppm1 6.704 ppm2 0.546 CV 1 OR { 36} (( segid " " and resid 121 and name HN )) ( segid " " and resid 128 and name HG2%) OR { 36} (( segid " " and resid 82 and name HE22)) ( segid " " and resid 81 and name HD2%) ASSI { 37} (( segid " " and resid 82 and name HE22)) (( segid " " and resid 82 and name HB1 )) 3.000 1.100 1.100 peak 37 spectrum 1 weight 0.10000E+01 volume 0.10851E-02 ppm1 6.705 ppm2 1.941 CV 1 OR { 37} (( segid " " and resid 82 and name HE22)) (( segid " " and resid 77 and name HB )) OR { 37} (( segid " " and resid 82 and name HE22)) (( segid " " and resid 102 and name HB )) ASSI { 42} (( segid " " and resid 10 and name HE22)) (( segid " " and resid 23 and name HD22)) 3.300 3.300 2.700 peak 42 spectrum 1 weight 0.10000E+01 volume 0.57661E-03 ppm1 6.765 ppm2 8.792 CV 1 OR { 42} (( segid " " and resid 10 and name HE22)) (( segid " " and resid 11 and name HN )) ASSI { 63} (( segid " " and resid 108 and name HN )) (( segid " " and resid 110 and name HB1 )) 3.000 3.000 3.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.95136E-03 ppm1 6.798 ppm2 2.932 CV 1 OR { 63} (( segid " " and resid 108 and name HN )) (( segid " " and resid 134 and name HB2 )) ASSI { 66} (( segid " " and resid 108 and name HN )) ( segid " " and resid 106 and name HG1%) 2.900 2.900 3.100 peak 66 spectrum 1 weight 0.10000E+01 volume 0.12007E-02 ppm1 6.798 ppm2 0.910 CV 1 OR { 66} (( segid " " and resid 108 and name HN )) ( segid " " and resid 80 and name HG2%) ASSI { 69} (( segid " " and resid 108 and name HN )) (( segid " " and resid 139 and name HA )) 2.900 2.900 3.100 peak 69 spectrum 1 weight 0.10000E+01 volume 0.13442E-02 ppm1 6.799 ppm2 4.871 CV 1 OR { 69} (( segid " " and resid 108 and name HN )) (( segid " " and resid 109 and name HA )) ASSI { 99} (( segid " " and resid 47 and name HN )) (( segid " " and resid 48 and name HN )) 2.600 2.600 3.400 peak 99 spectrum 1 weight 0.10000E+01 volume 0.25177E-02 ppm1 6.853 ppm2 6.707 CV 1 OR { 99} (( segid " " and resid 47 and name HN )) (( segid " " and resid 70 and name HZ2 )) ASSI { 100} (( segid " " and resid 47 and name HN )) (( segid " " and resid 9 and name HB1 )) 2.700 2.700 3.300 peak 100 spectrum 1 weight 0.10000E+01 volume 0.17404E-02 ppm1 6.854 ppm2 2.776 CV 1 OR { 100} (( segid " " and resid 47 and name HN )) (( segid " " and resid 70 and name HB1 )) ASSI { 117} (( segid " " and resid 70 and name HN )) (( segid " " and resid 58 and name HN )) 3.100 1.200 1.200 peak 117 spectrum 1 weight 0.10000E+01 volume 0.78070E-03 ppm1 7.068 ppm2 7.550 CV 1 OR { 117} (( segid " " and resid 70 and name HN )) (( segid " " and resid 66 and name HD22)) ASSI { 129} (( segid " " and resid 126 and name HN )) ( segid " " and resid 97 and name HD1%) 2.800 1.000 1.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.14295E-02 ppm1 7.180 ppm2 0.912 CV 1 OR { 129} (( segid " " and resid 126 and name HN )) ( segid " " and resid 97 and name HD2%) OR { 129} (( segid " " and resid 126 and name HN )) ( segid " " and resid 122 and name HD1%) ASSI { 145} (( segid " " and resid 23 and name HD21)) (( segid " " and resid 21 and name HB2 )) 3.300 1.400 1.400 peak 145 spectrum 1 weight 0.10000E+01 volume 0.54459E-03 ppm1 7.202 ppm2 2.299 CV 1 OR { 145} (( segid " " and resid 23 and name HD21)) (( segid " " and resid 10 and name HG2 )) ASSI { 146} (( segid " " and resid 10 and name HE21)) (( segid " " and resid 23 and name HD22)) 3.100 1.200 1.200 peak 146 spectrum 1 weight 0.10000E+01 volume 0.81549E-03 ppm1 7.219 ppm2 8.778 CV 1 OR { 146} (( segid " " and resid 10 and name HE21)) (( segid " " and resid 11 and name HN )) ASSI { 188} (( segid " " and resid 138 and name HN )) (( segid " " and resid 139 and name HB1 )) 3.100 1.200 1.200 peak 188 spectrum 1 weight 0.10000E+01 volume 0.89584E-03 ppm1 7.398 ppm2 3.366 CV 1 OR { 188} (( segid " " and resid 138 and name HN )) (( segid " " and resid 134 and name HB1 )) ASSI { 191} (( segid " " and resid 138 and name HN )) ( segid " " and resid 25 and name HD2%) 3.100 3.100 2.900 peak 191 spectrum 1 weight 0.10000E+01 volume 0.89879E-03 ppm1 7.398 ppm2 0.646 CV 1 OR { 191} (( segid " " and resid 138 and name HN )) ( segid " " and resid 106 and name HG2%) OR { 191} (( segid " " and resid 138 and name HN )) ( segid " " and resid 74 and name HD2%) ASSI { 214} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 73 and name HB1 )) 3.200 1.300 1.300 peak 214 spectrum 1 weight 0.10000E+01 volume 0.74168E-03 ppm1 7.515 ppm2 2.229 CV 1 OR { 214} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 75 and name HG1 )) ASSI { 219} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HB )) 3.000 3.000 3.000 peak 219 spectrum 1 weight 0.10000E+01 volume 0.10367E-02 ppm1 7.520 ppm2 2.447 CV 1 OR { 219} (( segid " " and resid 58 and name HN )) (( segid " " and resid 52 and name HB2 )) ASSI { 223} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HA )) 2.900 1.000 1.000 peak 223 spectrum 1 weight 0.10000E+01 volume 0.13420E-02 ppm1 7.523 ppm2 3.940 CV 1 OR { 223} (( segid " " and resid 58 and name HN )) (( segid " " and resid 69 and name HB2 )) ASSI { 233} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HB2 )) 3.000 3.000 3.000 peak 233 spectrum 1 weight 0.10000E+01 volume 0.98295E-03 ppm1 7.539 ppm2 2.979 CV 1 OR { 233} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HB1 )) OR { 233} (( segid " " and resid 26 and name HN )) (( segid " " and resid 46 and name HB2 )) ASSI { 246} (( segid " " and resid 26 and name HN )) ( segid " " and resid 45 and name HG2%) 3.000 3.000 3.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.11234E-02 ppm1 7.541 ppm2 0.813 CV 1 OR { 246} (( segid " " and resid 26 and name HN )) ( segid " " and resid 137 and name HD2%) ASSI { 249} (( segid " " and resid 26 and name HN )) (( segid " " and resid 23 and name HA )) 2.700 0.900 0.900 peak 249 spectrum 1 weight 0.10000E+01 volume 0.18550E-02 ppm1 7.542 ppm2 4.218 CV 1 OR { 249} (( segid " " and resid 26 and name HN )) (( segid " " and resid 24 and name HA )) ASSI { 252} (( segid " " and resid 116 and name HN )) (( segid " " and resid 134 and name HB2 )) 3.000 1.100 1.100 peak 252 spectrum 1 weight 0.10000E+01 volume 0.11075E-02 ppm1 7.582 ppm2 2.982 CV 1 OR { 252} (( segid " " and resid 116 and name HN )) (( segid " " and resid 117 and name HD1 )) ASSI { 254} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HB2 )) 2.600 0.900 0.900 peak 254 spectrum 1 weight 0.10000E+01 volume 0.22711E-02 ppm1 7.585 ppm2 3.090 CV 1 OR { 254} (( segid " " and resid 116 and name HN )) (( segid " " and resid 114 and name HB1 )) ASSI { 274} (( segid " " and resid 80 and name HN )) (( segid " " and resid 78 and name HB1 )) 2.700 0.900 0.900 peak 274 spectrum 1 weight 0.10000E+01 volume 0.19318E-02 ppm1 7.596 ppm2 2.528 CV 1 OR { 274} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB2 )) ASSI { 275} (( segid " " and resid 80 and name HN )) (( segid " " and resid 77 and name HB )) 2.800 2.800 3.200 peak 275 spectrum 1 weight 0.10000E+01 volume 0.17011E-02 ppm1 7.596 ppm2 1.924 CV 1 OR { 275} (( segid " " and resid 80 and name HN )) (( segid " " and resid 82 and name HB1 )) ASSI { 292} (( segid " " and resid 139 and name HN )) (( segid " " and resid 137 and name HB2 )) 2.900 2.900 3.100 peak 292 spectrum 1 weight 0.10000E+01 volume 0.13653E-02 ppm1 7.599 ppm2 1.436 CV 1 OR { 292} (( segid " " and resid 139 and name HN )) (( segid " " and resid 81 and name HB2 )) OR { 292} (( segid " " and resid 139 and name HN )) (( segid " " and resid 81 and name HG )) OR { 292} (( segid " " and resid 139 and name HN )) ( segid " " and resid 11 and name HG1%) ASSI { 295} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HG2 )) 3.300 1.200 1.200 peak 295 spectrum 1 weight 0.10000E+01 volume 0.94823E-03 ppm1 7.602 ppm2 2.130 CV 1 OR { 295} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HB1 )) OR { 295} (( segid " " and resid 139 and name HN )) (( segid " " and resid 136 and name HG2 )) OR { 295} (( segid " " and resid 139 and name HN )) (( segid " " and resid 136 and name HG1 )) ASSI { 299} (( segid " " and resid 36 and name HN )) (( segid " " and resid 119 and name HB2 )) 3.500 1.000 1.500 peak 299 spectrum 1 weight 0.10000E+01 volume 0.11828E-02 ppm1 7.604 ppm2 2.919 CV 1 OR { 299} (( segid " " and resid 139 and name HN )) (( segid " " and resid 110 and name HB1 )) OR { 299} (( segid " " and resid 36 and name HN )) (( segid " " and resid 38 and name HE2 )) OR { 299} (( segid " " and resid 36 and name HN )) (( segid " " and resid 38 and name HE1 )) OR { 299} (( segid " " and resid 139 and name HN )) (( segid " " and resid 134 and name HB2 )) ASSI { 300} (( segid " " and resid 139 and name HN )) ( segid " " and resid 20 and name HE% ) 3.800 1.000 1.500 peak 300 spectrum 1 weight 0.10000E+01 volume 0.15582E-02 ppm1 7.604 ppm2 6.925 CV 1 OR { 300} (( segid " " and resid 36 and name HN )) ( segid " " and resid 119 and name HE% ) ASSI { 303} (( segid " " and resid 139 and name HN )) ( segid " " and resid 137 and name HD1%) 2.900 2.900 3.100 peak 303 spectrum 1 weight 0.10000E+01 volume 0.12698E-02 ppm1 7.605 ppm2 0.930 CV 1 OR { 303} (( segid " " and resid 139 and name HN )) (( segid " " and resid 137 and name HG )) OR { 303} (( segid " " and resid 139 and name HN )) ( segid " " and resid 80 and name HG2%) OR { 303} (( segid " " and resid 139 and name HN )) ( segid " " and resid 80 and name HG1%) ASSI { 346} (( segid " " and resid 52 and name HN )) (( segid " " and resid 50 and name HG1 )) 3.000 3.000 3.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.10037E-02 ppm1 7.673 ppm2 1.456 CV 1 OR { 346} (( segid " " and resid 52 and name HN )) (( segid " " and resid 43 and name HB )) OR { 346} (( segid " " and resid 52 and name HN )) (( segid " " and resid 43 and name HG11)) ASSI { 350} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HA )) 2.700 0.900 0.900 peak 350 spectrum 1 weight 0.10000E+01 volume 0.18086E-02 ppm1 7.674 ppm2 4.303 CV 1 OR { 350} (( segid " " and resid 52 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 365} (( segid " " and resid 52 and name HN )) ( segid " " and resid 56 and name HG1%) 3.000 3.000 3.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.98387E-03 ppm1 7.681 ppm2 0.870 CV 1 OR { 365} (( segid " " and resid 52 and name HN )) ( segid " " and resid 58 and name HG1%) OR { 365} (( segid " " and resid 52 and name HN )) ( segid " " and resid 41 and name HG2%) OR { 365} (( segid " " and resid 52 and name HN )) ( segid " " and resid 40 and name HD2%) ASSI { 384} (( segid " " and resid 65 and name HN )) (( segid " " and resid 61 and name HA1 )) 3.100 3.100 2.900 peak 384 spectrum 1 weight 0.10000E+01 volume 0.81149E-03 ppm1 7.756 ppm2 4.358 CV 1 OR { 384} (( segid " " and resid 65 and name HN )) (( segid " " and resid 63 and name HA )) ASSI { 385} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA )) 2.800 1.000 1.000 peak 385 spectrum 1 weight 0.10000E+01 volume 0.14739E-02 ppm1 7.788 ppm2 4.377 CV 1 OR { 385} (( segid " " and resid 64 and name HN )) (( segid " " and resid 61 and name HA1 )) ASSI { 417} (( segid " " and resid 19 and name HN )) (( segid " " and resid 12 and name HB )) 3.100 3.100 2.900 peak 417 spectrum 1 weight 0.10000E+01 volume 0.84315E-03 ppm1 7.816 ppm2 3.760 CV 1 OR { 417} (( segid " " and resid 19 and name HN )) (( segid " " and resid 140 and name HA )) ASSI { 442} (( segid " " and resid 25 and name HN )) ( segid " " and resid 137 and name HD2%) 2.700 0.900 0.900 peak 442 spectrum 1 weight 0.10000E+01 volume 0.20943E-02 ppm1 7.869 ppm2 0.807 CV 1 OR { 442} (( segid " " and resid 25 and name HN )) ( segid " " and resid 45 and name HG2%) ASSI { 444} (( segid " " and resid 25 and name HN )) (( segid " " and resid 27 and name HN )) 3.000 3.000 3.000 peak 444 spectrum 1 weight 0.10000E+01 volume 0.10464E-02 ppm1 7.869 ppm2 8.050 CV 1 OR { 444} (( segid " " and resid 18 and name HN )) (( segid " " and resid 12 and name HN )) ASSI { 455} (( segid " " and resid 113 and name HN )) (( segid " " and resid 25 and name HG )) 3.000 3.000 3.000 peak 455 spectrum 1 weight 0.10000E+01 volume 0.10442E-02 ppm1 7.889 ppm2 1.237 CV 1 OR { 455} (( segid " " and resid 113 and name HN )) ( segid " " and resid 138 and name HB% ) OR { 455} (( segid " " and resid 113 and name HN )) (( segid " " and resid 22 and name HB1 )) ASSI { 459} (( segid " " and resid 113 and name HN )) (( segid " " and resid 137 and name HB2 )) 2.800 2.800 3.200 peak 459 spectrum 1 weight 0.10000E+01 volume 0.16732E-02 ppm1 7.890 ppm2 1.370 CV 1 OR { 459} (( segid " " and resid 113 and name HN )) (( segid " " and resid 25 and name HB2 )) ASSI { 464} (( segid " " and resid 18 and name HN )) ( segid " " and resid 15 and name HB% ) 3.000 3.000 3.000 peak 464 spectrum 1 weight 0.10000E+01 volume 0.10765E-02 ppm1 7.905 ppm2 1.613 CV 1 OR { 464} (( segid " " and resid 18 and name HN )) (( segid " " and resid 145 and name HG2 )) ASSI { 466} (( segid " " and resid 18 and name HN )) ( segid " " and resid 12 and name HG2%) 2.800 1.000 1.000 peak 466 spectrum 1 weight 0.10000E+01 volume 0.14622E-02 ppm1 7.907 ppm2 0.932 CV 1 OR { 466} (( segid " " and resid 25 and name HN )) (( segid " " and resid 137 and name HG )) OR { 466} (( segid " " and resid 25 and name HN )) ( segid " " and resid 137 and name HD1%) ASSI { 470} (( segid " " and resid 18 and name HN )) (( segid " " and resid 16 and name HB )) 2.600 0.800 0.800 peak 470 spectrum 1 weight 0.10000E+01 volume 0.26080E-02 ppm1 7.909 ppm2 4.373 CV 1 OR { 470} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HA )) OR { 470} (( segid " " and resid 18 and name HN )) (( segid " " and resid 13 and name HA )) OR { 470} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HA )) ASSI { 471} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA2 )) 2.600 0.800 0.800 peak 471 spectrum 1 weight 0.10000E+01 volume 0.23844E-02 ppm1 7.909 ppm2 4.241 CV 1 OR { 471} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HA )) OR { 471} (( segid " " and resid 25 and name HN )) (( segid " " and resid 23 and name HA )) ASSI { 480} (( segid " " and resid 18 and name HN )) (( segid " " and resid 140 and name HG1 )) 3.100 1.200 1.200 peak 480 spectrum 1 weight 0.10000E+01 volume 0.88064E-03 ppm1 7.910 ppm2 1.992 CV 1 OR { 480} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HB1 )) OR { 480} (( segid " " and resid 18 and name HN )) (( segid " " and resid 142 and name HB2 )) OR { 480} (( segid " " and resid 18 and name HN )) (( segid " " and resid 142 and name HB1 )) ASSI { 492} (( segid " " and resid 39 and name HN )) (( segid " " and resid 37 and name HB2 )) 3.600 0.900 1.000 peak 492 spectrum 1 weight 0.10000E+01 volume 0.23185E-02 ppm1 7.935 ppm2 1.870 CV 1 OR { 492} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB1 )) OR { 492} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB2 )) ASSI { 494} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HG )) 2.900 2.900 3.100 peak 494 spectrum 1 weight 0.10000E+01 volume 0.13080E-02 ppm1 7.935 ppm2 1.443 CV 1 OR { 494} (( segid " " and resid 39 and name HN )) (( segid " " and resid 41 and name HG11)) OR { 494} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HB2 )) ASSI { 517} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB2 )) 2.300 2.300 3.700 peak 517 spectrum 1 weight 0.10000E+01 volume 0.56813E-02 ppm1 7.973 ppm2 1.446 CV 1 OR { 517} (( segid " " and resid 97 and name HN )) ( segid " " and resid 96 and name HB% ) ASSI { 526} (( segid " " and resid 97 and name HN )) (( segid " " and resid 124 and name HA )) 2.900 2.900 3.100 peak 526 spectrum 1 weight 0.10000E+01 volume 0.13080E-02 ppm1 7.974 ppm2 3.971 CV 1 OR { 526} (( segid " " and resid 97 and name HN )) (( segid " " and resid 93 and name HB2 )) OR { 526} (( segid " " and resid 97 and name HN )) (( segid " " and resid 93 and name HB1 )) ASSI { 541} (( segid " " and resid 38 and name HN )) (( segid " " and resid 35 and name HA )) 2.900 2.900 3.100 peak 541 spectrum 1 weight 0.10000E+01 volume 0.12088E-02 ppm1 7.978 ppm2 4.823 CV 1 OR { 541} (( segid " " and resid 38 and name HN )) (( segid " " and resid 40 and name HA )) OR { 541} (( segid " " and resid 60 and name HN )) (( segid " " and resid 91 and name HA )) OR { 541} (( segid " " and resid 60 and name HN )) (( segid " " and resid 40 and name HA )) OR { 541} (( segid " " and resid 60 and name HN )) (( segid " " and resid 129 and name HA )) ASSI { 551} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HG12)) 3.100 3.100 2.900 peak 551 spectrum 1 weight 0.10000E+01 volume 0.91187E-03 ppm1 7.980 ppm2 1.371 CV 1 OR { 551} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HG2 )) ASSI { 579} (( segid " " and resid 127 and name HN )) ( segid " " and resid 97 and name HD1%) 2.700 0.900 0.900 peak 579 spectrum 1 weight 0.10000E+01 volume 0.17810E-02 ppm1 8.019 ppm2 0.927 CV 1 OR { 579} (( segid " " and resid 127 and name HN )) ( segid " " and resid 122 and name HD1%) OR { 579} (( segid " " and resid 127 and name HN )) ( segid " " and resid 97 and name HD2%) ASSI { 583} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB )) 2.800 1.000 1.000 peak 583 spectrum 1 weight 0.10000E+01 volume 0.15858E-02 ppm1 8.025 ppm2 2.248 CV 1 OR { 583} (( segid " " and resid 12 and name HN )) (( segid " " and resid 10 and name HG1 )) OR { 583} (( segid " " and resid 12 and name HN )) (( segid " " and resid 10 and name HG2 )) OR { 583} (( segid " " and resid 12 and name HN )) (( segid " " and resid 6 and name HB2 )) ASSI { 608} (( segid " " and resid 88 and name HN )) (( segid " " and resid 99 and name HB2 )) 2.600 2.600 3.400 peak 608 spectrum 1 weight 0.10000E+01 volume 0.22716E-02 ppm1 8.076 ppm2 3.122 CV 1 OR { 608} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HB1 )) OR { 608} (( segid " " and resid 88 and name HN )) (( segid " " and resid 99 and name HB1 )) ASSI { 610} (( segid " " and resid 88 and name HN )) ( segid " " and resid 89 and name HB% ) 2.800 2.800 3.200 peak 610 spectrum 1 weight 0.10000E+01 volume 0.15780E-02 ppm1 8.076 ppm2 1.734 CV 1 OR { 610} (( segid " " and resid 88 and name HN )) (( segid " " and resid 100 and name HD1 )) OR { 610} (( segid " " and resid 88 and name HN )) (( segid " " and resid 97 and name HB1 )) ASSI { 613} (( segid " " and resid 88 and name HN )) (( segid " " and resid 98 and name HB2 )) 2.500 0.800 0.800 peak 613 spectrum 1 weight 0.10000E+01 volume 0.27648E-02 ppm1 8.077 ppm2 1.915 CV 1 OR { 613} (( segid " " and resid 88 and name HN )) (( segid " " and resid 100 and name HB1 )) OR { 613} (( segid " " and resid 88 and name HN )) (( segid " " and resid 100 and name HB2 )) ASSI { 626} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB1 )) 2.500 0.800 0.800 peak 626 spectrum 1 weight 0.10000E+01 volume 0.31306E-02 ppm1 8.097 ppm2 1.718 CV 1 OR { 626} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HB2 )) OR { 626} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HD2 )) OR { 626} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HD1 )) ASSI { 657} (( segid " " and resid 30 and name HN )) (( segid " " and resid 44 and name HA2 )) 3.000 3.000 3.000 peak 657 spectrum 1 weight 0.10000E+01 volume 0.10078E-02 ppm1 8.117 ppm2 3.644 CV 1 OR { 657} (( segid " " and resid 30 and name HN )) (( segid " " and resid 32 and name HB1 )) ASSI { 661} (( segid " " and resid 141 and name HN )) (( segid " " and resid 139 and name HB1 )) 3.300 1.500 2.700 peak 661 spectrum 1 weight 0.10000E+01 volume 0.10410E-02 ppm1 8.117 ppm2 3.342 CV 1 OR { 661} (( segid " " and resid 141 and name HN )) (( segid " " and resid 13 and name HB1 )) ASSI { 662} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HE2 )) 2.900 1.000 1.000 peak 662 spectrum 1 weight 0.10000E+01 volume 0.12801E-02 ppm1 8.117 ppm2 3.063 CV 1 OR { 662} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HE1 )) OR { 662} (( segid " " and resid 141 and name HN )) (( segid " " and resid 18 and name HB2 )) ASSI { 664} (( segid " " and resid 30 and name HN )) (( segid " " and resid 27 and name HB1 )) 2.900 2.900 3.100 peak 664 spectrum 1 weight 0.10000E+01 volume 0.13852E-02 ppm1 8.118 ppm2 2.984 CV 1 OR { 664} (( segid " " and resid 30 and name HN )) (( segid " " and resid 27 and name HB2 )) OR { 664} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HB2 )) ASSI { 674} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB )) 3.100 1.200 1.200 peak 674 spectrum 1 weight 0.10000E+01 volume 0.84979E-03 ppm1 8.140 ppm2 1.523 CV 1 OR { 674} (( segid " " and resid 104 and name HN )) (( segid " " and resid 83 and name HB2 )) ASSI { 677} (( segid " " and resid 104 and name HN )) ( segid " " and resid 80 and name HG1%) 2.900 1.000 1.000 peak 677 spectrum 1 weight 0.10000E+01 volume 0.12701E-02 ppm1 8.141 ppm2 0.924 CV 1 OR { 677} (( segid " " and resid 104 and name HN )) ( segid " " and resid 102 and name HG2%) OR { 677} (( segid " " and resid 104 and name HN )) ( segid " " and resid 80 and name HG2%) OR { 677} (( segid " " and resid 104 and name HN )) ( segid " " and resid 45 and name HD1%) OR { 677} (( segid " " and resid 104 and name HN )) ( segid " " and resid 84 and name HG2%) ASSI { 693} (( segid " " and resid 22 and name HN )) ( segid " " and resid 137 and name HD2%) 3.000 1.100 1.100 peak 693 spectrum 1 weight 0.10000E+01 volume 0.10076E-02 ppm1 8.203 ppm2 0.776 CV 1 OR { 693} (( segid " " and resid 22 and name HN )) ( segid " " and resid 74 and name HD1%) OR { 693} (( segid " " and resid 22 and name HN )) ( segid " " and resid 45 and name HG2%) OR { 693} (( segid " " and resid 22 and name HN )) ( segid " " and resid 19 and name HD1%) ASSI { 711} (( segid " " and resid 13 and name HN )) (( segid " " and resid 18 and name HB2 )) 3.000 1.100 1.100 peak 711 spectrum 1 weight 0.10000E+01 volume 0.10494E-02 ppm1 8.219 ppm2 3.026 CV 1 OR { 711} (( segid " " and resid 13 and name HN )) (( segid " " and resid 20 and name HB1 )) ASSI { 715} (( segid " " and resid 13 and name HN )) (( segid " " and resid 18 and name HB1 )) 3.000 3.000 3.000 peak 715 spectrum 1 weight 0.10000E+01 volume 0.10087E-02 ppm1 8.220 ppm2 2.594 CV 1 OR { 715} (( segid " " and resid 13 and name HN )) (( segid " " and resid 76 and name HB1 )) ASSI { 720} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB2 )) 3.100 1.200 1.200 peak 720 spectrum 1 weight 0.10000E+01 volume 0.91208E-03 ppm1 8.305 ppm2 2.045 CV 1 OR { 720} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HB1 )) OR { 720} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HB2 )) ASSI { 742} (( segid " " and resid 122 and name HN )) ( segid " " and resid 122 and name HD1%) 2.600 2.600 3.400 peak 742 spectrum 1 weight 0.10000E+01 volume 0.25909E-02 ppm1 8.328 ppm2 0.945 CV 1 OR { 742} (( segid " " and resid 122 and name HN )) ( segid " " and resid 122 and name HD2%) OR { 742} (( segid " " and resid 91 and name HN )) ( segid " " and resid 97 and name HD1%) ASSI { 752} (( segid " " and resid 5 and name HN )) (( segid " " and resid 75 and name HG2 )) 2.600 0.900 0.900 peak 752 spectrum 1 weight 0.10000E+01 volume 0.22463E-02 ppm1 8.344 ppm2 2.194 CV 1 OR { 752} (( segid " " and resid 5 and name HN )) (( segid " " and resid 75 and name HG1 )) OR { 752} (( segid " " and resid 5 and name HN )) (( segid " " and resid 11 and name HB )) ASSI { 779} (( segid " " and resid 91 and name HN )) (( segid " " and resid 92 and name HD2 )) 2.800 1.000 1.000 peak 779 spectrum 1 weight 0.10000E+01 volume 0.14308E-02 ppm1 8.374 ppm2 3.794 CV 1 OR { 779} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HD2 )) OR { 779} (( segid " " and resid 122 and name HN )) (( segid " " and resid 120 and name HA )) OR { 779} (( segid " " and resid 40 and name HN )) (( segid " " and resid 32 and name HB2 )) ASSI { 781} (( segid " " and resid 40 and name HN )) (( segid " " and resid 61 and name HA1 )) 2.800 2.800 3.200 peak 781 spectrum 1 weight 0.10000E+01 volume 0.14367E-02 ppm1 8.375 ppm2 4.396 CV 1 OR { 781} (( segid " " and resid 40 and name HN )) (( segid " " and resid 38 and name HA )) ASSI { 789} (( segid " " and resid 40 and name HN )) (( segid " " and resid 62 and name HB2 )) 3.000 1.100 1.100 peak 789 spectrum 1 weight 0.10000E+01 volume 0.95916E-03 ppm1 8.377 ppm2 1.727 CV 1 OR { 789} (( segid " " and resid 91 and name HN )) (( segid " " and resid 97 and name HB1 )) OR { 789} (( segid " " and resid 91 and name HN )) ( segid " " and resid 89 and name HB% ) OR { 789} (( segid " " and resid 122 and name HN )) (( segid " " and resid 124 and name HG1 )) OR { 789} (( segid " " and resid 40 and name HN )) (( segid " " and resid 64 and name HD1 )) ASSI { 791} (( segid " " and resid 7 and name HN )) (( segid " " and resid 72 and name HB1 )) 2.800 2.800 3.200 peak 791 spectrum 1 weight 0.10000E+01 volume 0.14092E-02 ppm1 8.379 ppm2 3.951 CV 1 OR { 791} (( segid " " and resid 106 and name HN )) (( segid " " and resid 116 and name HA )) OR { 791} (( segid " " and resid 7 and name HN )) (( segid " " and resid 3 and name HB2 )) ASSI { 806} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HA )) 2.500 0.800 0.800 peak 806 spectrum 1 weight 0.10000E+01 volume 0.32310E-02 ppm1 8.392 ppm2 4.781 CV 1 OR { 806} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HA )) ASSI { 819} (( segid " " and resid 106 and name HN )) (( segid " " and resid 104 and name HB1 )) 3.000 3.000 3.000 peak 819 spectrum 1 weight 0.10000E+01 volume 0.10263E-02 ppm1 8.403 ppm2 3.775 CV 1 OR { 819} (( segid " " and resid 106 and name HN )) (( segid " " and resid 136 and name HD2 )) ASSI { 823} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HA1 )) 2.900 2.900 3.100 peak 823 spectrum 1 weight 0.10000E+01 volume 0.13332E-02 ppm1 8.410 ppm2 4.495 CV 1 OR { 823} (( segid " " and resid 56 and name HN )) (( segid " " and resid 53 and name HA )) ASSI { 838} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HA2 )) 3.100 3.100 2.900 peak 838 spectrum 1 weight 0.10000E+01 volume 0.90379E-03 ppm1 8.415 ppm2 3.543 CV 1 OR { 838} (( segid " " and resid 54 and name HN )) (( segid " " and resid 48 and name HA2 )) ASSI { 844} (( segid " " and resid 56 and name HN )) (( segid " " and resid 52 and name HB1 )) 2.900 2.900 3.100 peak 844 spectrum 1 weight 0.10000E+01 volume 0.11488E-02 ppm1 8.418 ppm2 3.021 CV 1 OR { 844} (( segid " " and resid 86 and name HN )) (( segid " " and resid 100 and name HE1 )) OR { 844} (( segid " " and resid 56 and name HN )) (( segid " " and resid 66 and name HB1 )) OR { 844} (( segid " " and resid 56 and name HN )) (( segid " " and resid 47 and name HA1 )) ASSI { 849} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HB )) 3.000 1.100 1.100 peak 849 spectrum 1 weight 0.10000E+01 volume 0.96302E-03 ppm1 8.423 ppm2 2.128 CV 1 OR { 849} (( segid " " and resid 86 and name HN )) (( segid " " and resid 84 and name HB )) OR { 849} (( segid " " and resid 56 and name HN )) (( segid " " and resid 53 and name HG2 )) ASSI { 853} (( segid " " and resid 86 and name HN )) ( segid " " and resid 102 and name HG1%) 3.000 3.000 3.000 peak 853 spectrum 1 weight 0.10000E+01 volume 0.10882E-02 ppm1 8.423 ppm2 0.755 CV 1 OR { 853} (( segid " " and resid 86 and name HN )) ( segid " " and resid 74 and name HD1%) OR { 853} (( segid " " and resid 56 and name HN )) ( segid " " and resid 40 and name HD1%) OR { 853} (( segid " " and resid 86 and name HN )) ( segid " " and resid 120 and name HG1%) OR { 853} (( segid " " and resid 86 and name HN )) ( segid " " and resid 120 and name HG2%) OR { 853} (( segid " " and resid 86 and name HN )) ( segid " " and resid 11 and name HG2%) ASSI { 858} (( segid " " and resid 56 and name HN )) (( segid " " and resid 58 and name HN )) 3.100 3.100 2.900 peak 858 spectrum 1 weight 0.10000E+01 volume 0.82680E-03 ppm1 8.425 ppm2 7.537 CV 1 OR { 858} (( segid " " and resid 86 and name HN )) (( segid " " and resid 71 and name HD22)) OR { 858} (( segid " " and resid 56 and name HN )) (( segid " " and resid 66 and name HD22)) ASSI { 860} (( segid " " and resid 56 and name HN )) (( segid " " and resid 53 and name HB2 )) 3.000 1.100 1.100 peak 860 spectrum 1 weight 0.10000E+01 volume 0.97946E-03 ppm1 8.429 ppm2 1.941 CV 1 OR { 860} (( segid " " and resid 86 and name HN )) (( segid " " and resid 100 and name HB2 )) ASSI { 861} (( segid " " and resid 86 and name HN )) (( segid " " and resid 68 and name HA2 )) 3.000 3.000 3.000 peak 861 spectrum 1 weight 0.10000E+01 volume 0.95126E-03 ppm1 8.441 ppm2 4.653 CV 1 OR { 861} (( segid " " and resid 86 and name HN )) (( segid " " and resid 102 and name HA )) OR { 861} (( segid " " and resid 86 and name HN )) (( segid " " and resid 71 and name HA )) OR { 861} (( segid " " and resid 56 and name HN )) (( segid " " and resid 68 and name HA2 )) OR { 861} (( segid " " and resid 56 and name HN )) (( segid " " and resid 71 and name HA )) OR { 861} (( segid " " and resid 86 and name HN )) (( segid " " and resid 67 and name HA )) ASSI { 882} (( segid " " and resid 100 and name HN )) ( segid " " and resid 67 and name HB% ) 3.100 1.200 1.200 peak 882 spectrum 1 weight 0.10000E+01 volume 0.87019E-03 ppm1 8.460 ppm2 1.240 CV 1 OR { 882} (( segid " " and resid 100 and name HN )) ( segid " " and resid 126 and name HG2%) ASSI { 889} (( segid " " and resid 100 and name HN )) ( segid " " and resid 122 and name HD2%) 2.900 2.900 3.100 peak 889 spectrum 1 weight 0.10000E+01 volume 0.11580E-02 ppm1 8.464 ppm2 0.933 CV 1 OR { 889} (( segid " " and resid 100 and name HN )) ( segid " " and resid 58 and name HG1%) OR { 889} (( segid " " and resid 100 and name HN )) ( segid " " and resid 122 and name HD1%) OR { 889} (( segid " " and resid 100 and name HN )) ( segid " " and resid 84 and name HG1%) OR { 889} (( segid " " and resid 100 and name HN )) ( segid " " and resid 97 and name HD1%) OR { 889} (( segid " " and resid 100 and name HN )) ( segid " " and resid 102 and name HG2%) ASSI { 897} (( segid " " and resid 137 and name HN )) ( segid " " and resid 25 and name HD2%) 3.000 3.000 3.000 peak 897 spectrum 1 weight 0.10000E+01 volume 0.11064E-02 ppm1 8.466 ppm2 0.639 CV 1 OR { 897} (( segid " " and resid 137 and name HN )) ( segid " " and resid 74 and name HD2%) ASSI { 903} (( segid " " and resid 137 and name HN )) ( segid " " and resid 22 and name HD2%) 3.300 1.000 1.000 peak 903 spectrum 1 weight 0.10000E+01 volume 0.13818E-02 ppm1 8.467 ppm2 -0.010 CV 1 OR { 903} (( segid " " and resid 137 and name HN )) ( segid " " and resid 25 and name HD1%) ASSI { 904} (( segid " " and resid 100 and name HN )) (( segid " " and resid 127 and name HA )) 3.100 3.100 2.900 peak 904 spectrum 1 weight 0.10000E+01 volume 0.85022E-03 ppm1 8.467 ppm2 3.675 CV 1 OR { 904} (( segid " " and resid 100 and name HN )) (( segid " " and resid 128 and name HB )) ASSI { 910} (( segid " " and resid 137 and name HN )) (( segid " " and resid 133 and name HD1 )) 2.600 2.600 3.400 peak 910 spectrum 1 weight 0.10000E+01 volume 0.24886E-02 ppm1 8.470 ppm2 6.969 CV 1 OR { 910} (( segid " " and resid 137 and name HN )) ( segid " " and resid 20 and name HE% ) OR { 910} (( segid " " and resid 137 and name HN )) (( segid " " and resid 115 and name HD21)) ASSI { 913} (( segid " " and resid 137 and name HN )) ( segid " " and resid 138 and name HB% ) 2.900 1.000 1.000 peak 913 spectrum 1 weight 0.10000E+01 volume 0.13648E-02 ppm1 8.473 ppm2 1.236 CV 1 OR { 913} (( segid " " and resid 137 and name HN )) (( segid " " and resid 25 and name HG )) ASSI { 915} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HB2 )) 3.000 1.200 1.200 peak 915 spectrum 1 weight 0.10000E+01 volume 0.93087E-03 ppm1 8.479 ppm2 2.939 CV 1 OR { 915} (( segid " " and resid 120 and name HN )) (( segid " " and resid 131 and name HB1 )) ASSI { 917} (( segid " " and resid 137 and name HN )) (( segid " " and resid 139 and name HN )) 2.900 1.100 1.100 peak 917 spectrum 1 weight 0.10000E+01 volume 0.12597E-02 ppm1 8.481 ppm2 7.649 CV 1 OR { 917} (( segid " " and resid 95 and name HN )) (( segid " " and resid 93 and name HN )) ASSI { 920} (( segid " " and resid 120 and name HN )) ( segid " " and resid 131 and name HD% ) 3.100 1.200 1.200 peak 920 spectrum 1 weight 0.10000E+01 volume 0.85215E-03 ppm1 8.482 ppm2 7.095 CV 1 OR { 920} (( segid " " and resid 120 and name HN )) ( segid " " and resid 130 and name HD% ) ASSI { 934} (( segid " " and resid 137 and name HN )) (( segid " " and resid 112 and name HA2 )) 3.000 0.900 1.000 peak 934 spectrum 1 weight 0.10000E+01 volume 0.19419E-02 ppm1 8.490 ppm2 3.980 CV 1 OR { 934} (( segid " " and resid 95 and name HN )) (( segid " " and resid 93 and name HB2 )) ASSI { 936} (( segid " " and resid 137 and name HN )) (( segid " " and resid 138 and name HA )) 2.800 2.800 3.200 peak 936 spectrum 1 weight 0.10000E+01 volume 0.13944E-02 ppm1 8.491 ppm2 4.578 CV 1 OR { 936} (( segid " " and resid 137 and name HN )) (( segid " " and resid 113 and name HA )) OR { 936} (( segid " " and resid 95 and name HN )) (( segid " " and resid 97 and name HA )) OR { 936} (( segid " " and resid 137 and name HN )) (( segid " " and resid 108 and name HA )) ASSI { 942} (( segid " " and resid 95 and name HN )) (( segid " " and resid 91 and name HA )) 3.300 1.500 1.500 peak 942 spectrum 1 weight 0.10000E+01 volume 0.21921E-02 ppm1 8.495 ppm2 4.837 CV 1 OR { 942} (( segid " " and resid 137 and name HN )) (( segid " " and resid 139 and name HA )) OR { 942} (( segid " " and resid 137 and name HN )) (( segid " " and resid 114 and name HA )) OR { 942} (( segid " " and resid 95 and name HN )) (( segid " " and resid 98 and name HA )) ASSI { 946} (( segid " " and resid 21 and name HN )) ( segid " " and resid 19 and name HD1%) 2.800 0.900 1.000 peak 946 spectrum 1 weight 0.10000E+01 volume 0.18111E-02 ppm1 8.525 ppm2 0.769 CV 1 OR { 946} (( segid " " and resid 21 and name HN )) ( segid " " and resid 19 and name HD2%) OR { 946} (( segid " " and resid 21 and name HN )) ( segid " " and resid 137 and name HD2%) ASSI { 951} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HG )) 3.000 3.000 3.000 peak 951 spectrum 1 weight 0.10000E+01 volume 0.10405E-02 ppm1 8.527 ppm2 1.206 CV 1 OR { 951} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HB2 )) OR { 951} (( segid " " and resid 21 and name HN )) ( segid " " and resid 138 and name HB% ) OR { 951} (( segid " " and resid 21 and name HN )) (( segid " " and resid 25 and name HG )) ASSI { 961} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HG2 )) 2.800 2.800 3.200 peak 961 spectrum 1 weight 0.10000E+01 volume 0.14609E-02 ppm1 8.532 ppm2 1.538 CV 1 OR { 961} (( segid " " and resid 125 and name HN )) (( segid " " and resid 122 and name HG )) OR { 961} (( segid " " and resid 125 and name HN )) (( segid " " and resid 97 and name HB2 )) ASSI { 963} (( segid " " and resid 125 and name HN )) ( segid " " and resid 122 and name HD1%) 2.900 1.100 1.100 peak 963 spectrum 1 weight 0.10000E+01 volume 0.11925E-02 ppm1 8.532 ppm2 0.953 CV 1 OR { 963} (( segid " " and resid 125 and name HN )) ( segid " " and resid 97 and name HD1%) OR { 963} (( segid " " and resid 125 and name HN )) ( segid " " and resid 122 and name HD2%) ASSI { 975} (( segid " " and resid 21 and name HN )) (( segid " " and resid 19 and name HA )) 3.000 3.000 3.000 peak 975 spectrum 1 weight 0.10000E+01 volume 0.98801E-03 ppm1 8.533 ppm2 4.328 CV 1 OR { 975} (( segid " " and resid 21 and name HN )) (( segid " " and resid 135 and name HB )) OR { 975} (( segid " " and resid 21 and name HN )) (( segid " " and resid 13 and name HA )) OR { 975} (( segid " " and resid 21 and name HN )) (( segid " " and resid 141 and name HA )) ASSI { 979} (( segid " " and resid 21 and name HN )) (( segid " " and resid 81 and name HG )) 3.000 3.000 3.000 peak 979 spectrum 1 weight 0.10000E+01 volume 0.97414E-03 ppm1 8.535 ppm2 1.366 CV 1 OR { 979} (( segid " " and resid 115 and name HN )) (( segid " " and resid 117 and name HB2 )) OR { 979} (( segid " " and resid 115 and name HN )) (( segid " " and resid 116 and name HG1 )) OR { 979} (( segid " " and resid 21 and name HN )) ( segid " " and resid 11 and name HG1%) OR { 979} (( segid " " and resid 115 and name HN )) (( segid " " and resid 116 and name HG2 )) ASSI { 989} (( segid " " and resid 8 and name HN )) (( segid " " and resid 10 and name HG2 )) 2.900 1.000 1.000 peak 989 spectrum 1 weight 0.10000E+01 volume 0.13893E-02 ppm1 8.540 ppm2 2.236 CV 1 OR { 989} (( segid " " and resid 8 and name HN )) (( segid " " and resid 10 and name HG1 )) OR { 989} (( segid " " and resid 3 and name HN )) (( segid " " and resid 14 and name HG1 )) ASSI { 997} (( segid " " and resid 34 and name HN )) (( segid " " and resid 40 and name HA )) 3.100 1.200 1.200 peak 997 spectrum 1 weight 0.10000E+01 volume 0.80556E-03 ppm1 8.545 ppm2 4.825 CV 1 OR { 997} (( segid " " and resid 34 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 1017} (( segid " " and resid 49 and name HN )) (( segid " " and resid 52 and name HB1 )) 3.100 3.100 2.900 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.84802E-03 ppm1 8.561 ppm2 3.033 CV 1 OR { 1017} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HA1 )) OR { 1017} (( segid " " and resid 49 and name HN )) (( segid " " and resid 27 and name HB1 )) ASSI { 1019} (( segid " " and resid 49 and name HN )) ( segid " " and resid 56 and name HG1%) 3.000 3.000 3.000 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.93657E-03 ppm1 8.562 ppm2 0.859 CV 1 OR { 1019} (( segid " " and resid 49 and name HN )) ( segid " " and resid 45 and name HD1%) OR { 1019} (( segid " " and resid 49 and name HN )) ( segid " " and resid 45 and name HG2%) OR { 1019} (( segid " " and resid 49 and name HN )) ( segid " " and resid 58 and name HG1%) ASSI { 1020} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HN )) 2.800 2.800 3.200 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.14723E-02 ppm1 8.563 ppm2 6.687 CV 1 OR { 1020} (( segid " " and resid 49 and name HN )) (( segid " " and resid 70 and name HZ2 )) ASSI { 1021} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HA )) 3.000 3.000 3.000 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.96128E-03 ppm1 8.568 ppm2 4.280 CV 1 OR { 1021} (( segid " " and resid 49 and name HN )) (( segid " " and resid 45 and name HA )) ASSI { 1026} (( segid " " and resid 142 and name HN )) (( segid " " and resid 140 and name HB1 )) 2.300 0.700 0.700 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.52584E-02 ppm1 8.573 ppm2 1.797 CV 1 OR { 1026} (( segid " " and resid 142 and name HN )) (( segid " " and resid 141 and name HB2 )) ASSI { 1041} (( segid " " and resid 77 and name HN )) (( segid " " and resid 80 and name HB )) 2.800 1.000 1.000 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.14970E-02 ppm1 8.607 ppm2 2.089 CV 1 OR { 1041} (( segid " " and resid 77 and name HN )) (( segid " " and resid 75 and name HB2 )) OR { 1041} (( segid " " and resid 77 and name HN )) (( segid " " and resid 75 and name HB1 )) ASSI { 1046} (( segid " " and resid 77 and name HN )) ( segid " " and resid 11 and name HG1%) 3.000 3.000 3.000 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.11212E-02 ppm1 8.609 ppm2 1.434 CV 1 OR { 1046} (( segid " " and resid 77 and name HN )) (( segid " " and resid 81 and name HG )) OR { 1046} (( segid " " and resid 77 and name HN )) (( segid " " and resid 74 and name HG )) ASSI { 1052} (( segid " " and resid 77 and name HN )) (( segid " " and resid 79 and name HN )) 2.900 1.100 1.100 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.12233E-02 ppm1 8.612 ppm2 6.777 CV 1 OR { 1052} (( segid " " and resid 77 and name HN )) (( segid " " and resid 82 and name HE22)) ASSI { 1061} (( segid " " and resid 61 and name HN )) (( segid " " and resid 63 and name HN )) 3.100 1.200 1.200 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.87882E-03 ppm1 8.622 ppm2 7.971 CV 1 OR { 1061} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HN )) ASSI { 1066} (( segid " " and resid 61 and name HN )) ( segid " " and resid 41 and name HG2%) 3.100 1.200 1.200 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.86104E-03 ppm1 8.623 ppm2 0.824 CV 1 OR { 1066} (( segid " " and resid 61 and name HN )) ( segid " " and resid 40 and name HD2%) ASSI { 1067} (( segid " " and resid 61 and name HN )) (( segid " " and resid 40 and name HG )) 3.100 1.200 1.200 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.78477E-03 ppm1 8.623 ppm2 1.411 CV 1 OR { 1067} (( segid " " and resid 61 and name HN )) (( segid " " and resid 41 and name HG11)) OR { 1067} (( segid " " and resid 61 and name HN )) (( segid " " and resid 40 and name HB2 )) ASSI { 1071} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HB2 )) 2.800 2.800 3.200 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.14060E-02 ppm1 8.624 ppm2 2.927 CV 1 OR { 1071} (( segid " " and resid 61 and name HN )) (( segid " " and resid 42 and name HB2 )) ASSI { 1081} (( segid " " and resid 4 and name HN )) (( segid " " and resid 76 and name HB1 )) 3.100 1.200 1.200 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.87523E-03 ppm1 8.634 ppm2 2.634 CV 1 OR { 1081} (( segid " " and resid 4 and name HN )) (( segid " " and resid 5 and name HB )) ASSI { 1083} (( segid " " and resid 4 and name HN )) (( segid " " and resid 14 and name HD2 )) 3.100 1.200 1.200 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.89366E-03 ppm1 8.635 ppm2 4.270 CV 1 OR { 1083} (( segid " " and resid 4 and name HN )) (( segid " " and resid 77 and name HA )) ASSI { 1117} (( segid " " and resid 35 and name HN )) (( segid " " and resid 40 and name HB2 )) 3.300 1.400 1.400 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.16746E-02 ppm1 8.650 ppm2 1.376 CV 1 OR { 1117} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HG11)) ASSI { 1120} (( segid " " and resid 35 and name HN )) (( segid " " and resid 119 and name HB2 )) 2.300 2.300 3.700 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.48108E-02 ppm1 8.651 ppm2 2.895 CV 1 OR { 1120} (( segid " " and resid 43 and name HN )) (( segid " " and resid 131 and name HB1 )) OR { 1120} (( segid " " and resid 35 and name HN )) (( segid " " and resid 60 and name HB2 )) OR { 1120} (( segid " " and resid 43 and name HN )) (( segid " " and resid 114 and name HB2 )) OR { 1120} (( segid " " and resid 35 and name HN )) (( segid " " and resid 38 and name HE2 )) OR { 1120} (( segid " " and resid 43 and name HN )) (( segid " " and resid 60 and name HB2 )) OR { 1120} (( segid " " and resid 35 and name HN )) (( segid " " and resid 38 and name HE1 )) OR { 1120} (( segid " " and resid 43 and name HN )) (( segid " " and resid 50 and name HE1 )) OR { 1120} (( segid " " and resid 43 and name HN )) (( segid " " and resid 119 and name HB2 )) ASSI { 1127} (( segid " " and resid 130 and name HN )) ( segid " " and resid 122 and name HD2%) 3.000 1.100 1.100 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.10467E-02 ppm1 8.662 ppm2 0.921 CV 1 OR { 1127} (( segid " " and resid 130 and name HN )) ( segid " " and resid 102 and name HG2%) ASSI { 1135} (( segid " " and resid 130 and name HN )) (( segid " " and resid 129 and name HB2 )) 2.800 1.000 1.000 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.16776E-02 ppm1 8.665 ppm2 1.542 CV 1 OR { 1135} (( segid " " and resid 130 and name HN )) (( segid " " and resid 122 and name HG )) OR { 1135} (( segid " " and resid 130 and name HN )) (( segid " " and resid 120 and name HB )) OR { 1135} (( segid " " and resid 130 and name HN )) (( segid " " and resid 100 and name HG1 )) ASSI { 1155} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HB1 )) 3.100 3.100 2.900 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.90092E-03 ppm1 8.746 ppm2 1.747 CV 1 OR { 1155} (( segid " " and resid 24 and name HN )) (( segid " " and resid 26 and name HB2 )) ASSI { 1166} (( segid " " and resid 24 and name HN )) (( segid " " and resid 26 and name HG1 )) 3.100 1.200 1.200 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.84670E-03 ppm1 8.750 ppm2 1.417 CV 1 OR { 1166} (( segid " " and resid 24 and name HN )) (( segid " " and resid 22 and name HB2 )) OR { 1166} (( segid " " and resid 24 and name HN )) (( segid " " and resid 26 and name HG2 )) OR { 1166} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HB2 )) ASSI { 1172} (( segid " " and resid 41 and name HN )) ( segid " " and resid 41 and name HD1%) 3.100 1.200 1.200 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.86840E-03 ppm1 8.752 ppm2 0.138 CV 1 OR { 1172} (( segid " " and resid 41 and name HN )) ( segid " " and resid 43 and name HD1%) ASSI { 1173} (( segid " " and resid 41 and name HN )) ( segid " " and resid 41 and name HG2%) 2.600 0.900 0.900 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.22497E-02 ppm1 8.753 ppm2 0.823 CV 1 OR { 1173} (( segid " " and resid 41 and name HN )) ( segid " " and resid 40 and name HD2%) OR { 1173} (( segid " " and resid 41 and name HN )) ( segid " " and resid 33 and name HG2%) ASSI { 1179} (( segid " " and resid 28 and name HN )) (( segid " " and resid 49 and name HA )) 2.800 2.800 3.200 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.17121E-02 ppm1 8.793 ppm2 4.831 CV 1 OR { 1179} (( segid " " and resid 28 and name HN )) (( segid " " and resid 44 and name HA1 )) ASSI { 1204} (( segid " " and resid 68 and name HN )) (( segid " " and resid 85 and name HB2 )) 3.000 3.000 3.000 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.96376E-03 ppm1 8.803 ppm2 2.907 CV 1 OR { 1204} (( segid " " and resid 68 and name HN )) (( segid " " and resid 60 and name HB2 )) OR { 1204} (( segid " " and resid 68 and name HN )) (( segid " " and resid 86 and name HB1 )) ASSI { 1211} (( segid " " and resid 68 and name HN )) ( segid " " and resid 89 and name HB% ) 3.300 1.000 1.200 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.93510E-03 ppm1 8.804 ppm2 1.728 CV 1 OR { 1211} (( segid " " and resid 68 and name HN )) (( segid " " and resid 129 and name HG )) ASSI { 1226} (( segid " " and resid 83 and name HN )) ( segid " " and resid 77 and name HG1%) 3.200 1.200 1.200 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.75968E-03 ppm1 8.815 ppm2 0.832 CV 1 OR { 1226} (( segid " " and resid 83 and name HN )) ( segid " " and resid 45 and name HD1%) OR { 1226} (( segid " " and resid 83 and name HN )) ( segid " " and resid 102 and name HG1%) OR { 1226} (( segid " " and resid 83 and name HN )) ( segid " " and resid 45 and name HG2%) ASSI { 1234} (( segid " " and resid 83 and name HN )) ( segid " " and resid 84 and name HG2%) 3.100 1.200 1.200 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.89663E-03 ppm1 8.817 ppm2 0.962 CV 1 OR { 1234} (( segid " " and resid 83 and name HN )) ( segid " " and resid 102 and name HG2%) OR { 1234} (( segid " " and resid 83 and name HN )) ( segid " " and resid 80 and name HG1%) OR { 1234} (( segid " " and resid 83 and name HN )) ( segid " " and resid 84 and name HG1%) ASSI { 1257} (( segid " " and resid 119 and name HN )) ( segid " " and resid 119 and name HD% ) 3.700 1.700 1.700 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.30596E-03 ppm1 8.851 ppm2 6.751 CV 1 OR { 1257} (( segid " " and resid 42 and name HN )) ( segid " " and resid 42 and name HE% ) OR { 1257} (( segid " " and resid 42 and name HN )) ( segid " " and resid 60 and name HD% ) ASSI { 1258} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB )) 3.000 1.100 1.100 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.10317E-02 ppm1 8.859 ppm2 1.567 CV 1 OR { 1258} (( segid " " and resid 119 and name HN )) ( segid " " and resid 34 and name HB% ) OR { 1258} (( segid " " and resid 119 and name HN )) (( segid " " and resid 120 and name HB )) OR { 1258} (( segid " " and resid 119 and name HN )) (( segid " " and resid 41 and name HB )) ASSI { 1262} (( segid " " and resid 42 and name HN )) ( segid " " and resid 41 and name HG2%) 2.500 0.800 0.800 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.34406E-02 ppm1 8.861 ppm2 0.826 CV 1 OR { 1262} (( segid " " and resid 119 and name HN )) ( segid " " and resid 33 and name HG2%) ASSI { 1263} (( segid " " and resid 119 and name HN )) ( segid " " and resid 41 and name HD1%) 3.000 3.000 3.000 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.95935E-03 ppm1 8.861 ppm2 0.134 CV 1 OR { 1263} (( segid " " and resid 42 and name HN )) ( segid " " and resid 41 and name HD1%) OR { 1263} (( segid " " and resid 42 and name HN )) ( segid " " and resid 43 and name HD1%) OR { 1263} (( segid " " and resid 119 and name HN )) ( segid " " and resid 43 and name HD1%) ASSI { 1268} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HG12)) 3.100 3.100 2.900 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.91599E-03 ppm1 8.863 ppm2 0.665 CV 1 OR { 1268} (( segid " " and resid 119 and name HN )) ( segid " " and resid 120 and name HG2%) OR { 1268} (( segid " " and resid 42 and name HN )) ( segid " " and resid 43 and name HG2%) OR { 1268} (( segid " " and resid 42 and name HN )) ( segid " " and resid 129 and name HD1%) OR { 1268} (( segid " " and resid 119 and name HN )) ( segid " " and resid 129 and name HD1%) OR { 1268} (( segid " " and resid 42 and name HN )) (( segid " " and resid 65 and name HB )) OR { 1268} (( segid " " and resid 42 and name HN )) ( segid " " and resid 65 and name HD1%) ASSI { 1269} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HG )) 2.900 1.100 1.100 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.11438E-02 ppm1 8.865 ppm2 1.406 CV 1 OR { 1269} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HG11)) OR { 1269} (( segid " " and resid 42 and name HN )) (( segid " " and resid 40 and name HB2 )) OR { 1269} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HG11)) OR { 1269} (( segid " " and resid 119 and name HN )) (( segid " " and resid 117 and name HB2 )) ASSI { 1290} (( segid " " and resid 99 and name HN )) (( segid " " and resid 88 and name HA1 )) 3.100 1.200 1.200 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.78573E-03 ppm1 8.881 ppm2 4.356 CV 1 OR { 1290} (( segid " " and resid 99 and name HN )) (( segid " " and resid 87 and name HA )) ASSI { 1295} (( segid " " and resid 32 and name HN )) (( segid " " and resid 51 and name HB1 )) 3.100 3.100 2.900 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.83850E-03 ppm1 8.886 ppm2 1.783 CV 1 OR { 1295} (( segid " " and resid 32 and name HN )) (( segid " " and resid 116 and name HD1 )) OR { 1295} (( segid " " and resid 32 and name HN )) (( segid " " and resid 116 and name HD2 )) OR { 1295} (( segid " " and resid 32 and name HN )) (( segid " " and resid 25 and name HB1 )) OR { 1295} (( segid " " and resid 32 and name HN )) (( segid " " and resid 50 and name HD1 )) OR { 1295} (( segid " " and resid 32 and name HN )) (( segid " " and resid 50 and name HD2 )) ASSI { 1302} (( segid " " and resid 32 and name HN )) (( segid " " and resid 43 and name HB )) 3.000 1.100 1.100 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.11074E-02 ppm1 8.888 ppm2 1.503 CV 1 OR { 1302} (( segid " " and resid 32 and name HN )) (( segid " " and resid 117 and name HG1 )) ASSI { 1308} (( segid " " and resid 119 and name HN )) ( segid " " and resid 120 and name HG2%) 3.100 3.100 2.900 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.90393E-03 ppm1 8.900 ppm2 0.665 CV 1 OR { 1308} (( segid " " and resid 119 and name HN )) ( segid " " and resid 129 and name HD1%) OR { 1308} (( segid " " and resid 119 and name HN )) (( segid " " and resid 43 and name HG12)) OR { 1308} (( segid " " and resid 119 and name HN )) ( segid " " and resid 43 and name HG2%) ASSI { 1332} (( segid " " and resid 118 and name HN )) ( segid " " and resid 33 and name HG2%) 2.900 1.000 1.000 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.12751E-02 ppm1 8.945 ppm2 0.806 CV 1 OR { 1332} (( segid " " and resid 118 and name HN )) ( segid " " and resid 120 and name HG1%) ASSI { 1341} (( segid " " and resid 118 and name HN )) (( segid " " and resid 131 and name HA )) 3.200 1.300 1.300 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.69428E-03 ppm1 8.949 ppm2 5.514 CV 1 OR { 1341} (( segid " " and resid 118 and name HN )) (( segid " " and resid 132 and name HA )) ASSI { 1350} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HA )) 2.800 2.800 3.200 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.15455E-02 ppm1 8.981 ppm2 4.227 CV 1 OR { 1350} (( segid " " and resid 76 and name HN )) (( segid " " and resid 14 and name HD2 )) ASSI { 1352} (( segid " " and resid 78 and name HN )) (( segid " " and resid 80 and name HB )) 3.000 3.000 3.000 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.95898E-03 ppm1 8.981 ppm2 2.089 CV 1 OR { 1352} (( segid " " and resid 78 and name HN )) (( segid " " and resid 75 and name HB2 )) OR { 1352} (( segid " " and resid 78 and name HN )) (( segid " " and resid 75 and name HB1 )) ASSI { 1355} (( segid " " and resid 124 and name HN )) (( segid " " and resid 125 and name HB1 )) 2.900 2.900 3.100 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.13473E-02 ppm1 8.984 ppm2 2.357 CV 1 OR { 1355} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HB1 )) OR { 1355} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HG1 )) ASSI { 1357} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HA )) 3.100 3.100 2.900 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.85258E-03 ppm1 8.987 ppm2 4.452 CV 1 OR { 1357} (( segid " " and resid 76 and name HN )) (( segid " " and resid 80 and name HA )) OR { 1357} (( segid " " and resid 76 and name HN )) (( segid " " and resid 2 and name HA )) OR { 1357} (( segid " " and resid 76 and name HN )) (( segid " " and resid 6 and name HA )) ASSI { 1360} (( segid " " and resid 140 and name HN )) (( segid " " and resid 141 and name HA )) 3.100 3.100 2.900 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.86562E-03 ppm1 8.988 ppm2 4.350 CV 1 OR { 1360} (( segid " " and resid 140 and name HN )) (( segid " " and resid 142 and name HA )) OR { 1360} (( segid " " and resid 140 and name HN )) (( segid " " and resid 106 and name HA )) OR { 1360} (( segid " " and resid 140 and name HN )) (( segid " " and resid 144 and name HA )) ASSI { 1372} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HG2 )) 3.000 1.100 1.100 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.98635E-03 ppm1 8.990 ppm2 2.249 CV 1 OR { 1372} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HG1 )) OR { 1372} (( segid " " and resid 76 and name HN )) (( segid " " and resid 11 and name HB )) ASSI { 1375} (( segid " " and resid 140 and name HN )) (( segid " " and resid 107 and name HA )) 3.100 3.100 2.900 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.86488E-03 ppm1 8.990 ppm2 4.450 CV 1 OR { 1375} (( segid " " and resid 140 and name HN )) (( segid " " and resid 80 and name HA )) ASSI { 1391} (( segid " " and resid 23 and name HN )) (( segid " " and resid 21 and name HB1 )) 3.100 1.200 1.200 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.91148E-03 ppm1 9.007 ppm2 3.002 CV 1 OR { 1391} (( segid " " and resid 23 and name HN )) (( segid " " and resid 26 and name HE2 )) ASSI { 1405} (( segid " " and resid 23 and name HN )) (( segid " " and resid 25 and name HB1 )) 3.100 3.100 2.900 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.87060E-03 ppm1 9.012 ppm2 1.756 CV 1 OR { 1405} (( segid " " and resid 23 and name HN )) (( segid " " and resid 26 and name HB2 )) OR { 1405} (( segid " " and resid 23 and name HN )) (( segid " " and resid 74 and name HB1 )) OR { 1405} (( segid " " and resid 23 and name HN )) (( segid " " and resid 81 and name HB1 )) OR { 1405} (( segid " " and resid 23 and name HN )) (( segid " " and resid 83 and name HG )) ASSI { 1417} (( segid " " and resid 133 and name HN )) (( segid " " and resid 106 and name HB )) 3.100 1.200 1.200 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.92113E-03 ppm1 9.017 ppm2 1.088 CV 1 OR { 1417} (( segid " " and resid 133 and name HN )) ( segid " " and resid 135 and name HG2%) ASSI { 1431} (( segid " " and resid 124 and name HN )) (( segid " " and resid 125 and name HG2 )) 3.100 1.200 1.200 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.87833E-03 ppm1 9.034 ppm2 2.416 CV 1 OR { 1431} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HG2 )) OR { 1431} (( segid " " and resid 124 and name HN )) (( segid " " and resid 125 and name HB1 )) ASSI { 1435} (( segid " " and resid 69 and name HN )) (( segid " " and resid 85 and name HA )) 3.000 1.100 1.100 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.10212E-02 ppm1 9.039 ppm2 5.236 CV 1 OR { 1435} (( segid " " and resid 69 and name HN )) (( segid " " and resid 86 and name HA )) ASSI { 1455} (( segid " " and resid 101 and name HN )) ( segid " " and resid 84 and name HG1%) 2.900 1.000 1.000 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.12909E-02 ppm1 9.050 ppm2 0.934 CV 1 OR { 1455} (( segid " " and resid 101 and name HN )) ( segid " " and resid 102 and name HG2%) OR { 1455} (( segid " " and resid 101 and name HN )) ( segid " " and resid 84 and name HG2%) ASSI { 1456} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HN )) 3.200 1.300 1.300 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.70650E-03 ppm1 9.077 ppm2 8.322 CV 1 OR { 1456} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HN )) ASSI { 1460} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HA )) 2.400 0.700 0.700 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.36926E-02 ppm1 9.091 ppm2 4.470 CV 1 OR { 1460} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HA )) ASSI { 1462} (( segid " " and resid 75 and name HN )) (( segid " " and resid 83 and name HN )) 3.100 3.100 2.900 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.81698E-03 ppm1 9.091 ppm2 8.829 CV 1 OR { 1462} (( segid " " and resid 75 and name HN )) (( segid " " and resid 11 and name HN )) ASSI { 1501} (( segid " " and resid 33 and name HN )) (( segid " " and resid 42 and name HB1 )) 3.200 3.200 2.800 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.67719E-03 ppm1 9.130 ppm2 2.949 CV 1 OR { 1501} (( segid " " and resid 33 and name HN )) (( segid " " and resid 42 and name HB2 )) OR { 1501} (( segid " " and resid 33 and name HN )) (( segid " " and resid 31 and name HB2 )) OR { 1501} (( segid " " and resid 33 and name HN )) (( segid " " and resid 119 and name HB2 )) ASSI { 1505} (( segid " " and resid 131 and name HN )) ( segid " " and resid 120 and name HG1%) 2.900 1.100 1.100 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.12415E-02 ppm1 9.161 ppm2 0.793 CV 1 OR { 1505} (( segid " " and resid 131 and name HN )) ( segid " " and resid 102 and name HG1%) ASSI { 1510} (( segid " " and resid 31 and name HN )) (( segid " " and resid 44 and name HA2 )) 3.100 1.200 1.200 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.89644E-03 ppm1 9.167 ppm2 3.645 CV 1 OR { 1510} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HB1 )) ASSI { 1523} (( segid " " and resid 59 and name HN )) (( segid " " and resid 43 and name HA )) 2.600 0.900 0.900 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.22759E-02 ppm1 9.170 ppm2 5.402 CV 1 OR { 1523} (( segid " " and resid 59 and name HN )) (( segid " " and resid 60 and name HA )) ASSI { 1526} (( segid " " and resid 31 and name HN )) (( segid " " and resid 43 and name HB )) 2.800 2.800 3.200 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.15316E-02 ppm1 9.171 ppm2 1.518 CV 1 OR { 1526} (( segid " " and resid 31 and name HN )) (( segid " " and resid 45 and name HG12)) ASSI { 1529} (( segid " " and resid 131 and name HN )) (( segid " " and resid 103 and name HG12)) 3.200 1.300 1.300 peak 1529 spectrum 1 weight 0.10000E+01 volume 0.70403E-03 ppm1 9.171 ppm2 0.513 CV 1 OR { 1529} (( segid " " and resid 131 and name HN )) ( segid " " and resid 128 and name HG2%) ASSI { 1547} (( segid " " and resid 135 and name HN )) ( segid " " and resid 106 and name HG1%) 2.900 1.000 1.000 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.12867E-02 ppm1 9.211 ppm2 0.904 CV 1 OR { 1547} (( segid " " and resid 135 and name HN )) ( segid " " and resid 80 and name HG2%) OR { 1547} (( segid " " and resid 135 and name HN )) ( segid " " and resid 80 and name HG1%) ASSI { 1548} (( segid " " and resid 135 and name HN )) ( segid " " and resid 106 and name HG2%) 3.000 3.000 3.000 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.10558E-02 ppm1 9.211 ppm2 0.614 CV 1 OR { 1548} (( segid " " and resid 135 and name HN )) ( segid " " and resid 25 and name HD2%) ASSI { 1557} (( segid " " and resid 135 and name HN )) ( segid " " and resid 137 and name HD2%) 3.100 3.100 2.900 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.83375E-03 ppm1 9.222 ppm2 0.782 CV 1 OR { 1557} (( segid " " and resid 135 and name HN )) ( segid " " and resid 45 and name HG2%) ASSI { 1583} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB1 )) 3.100 1.200 1.200 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.91620E-03 ppm1 9.244 ppm2 3.069 CV 1 OR { 1583} (( segid " " and resid 67 and name HN )) (( segid " " and resid 99 and name HB2 )) ASSI { 1585} (( segid " " and resid 67 and name HN )) (( segid " " and resid 65 and name HB )) 3.200 1.300 1.300 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.69783E-03 ppm1 9.246 ppm2 0.672 CV 1 OR { 1585} (( segid " " and resid 67 and name HN )) ( segid " " and resid 129 and name HD1%) OR { 1585} (( segid " " and resid 67 and name HN )) ( segid " " and resid 65 and name HD1%) OR { 1585} (( segid " " and resid 67 and name HN )) (( segid " " and resid 43 and name HG12)) ASSI { 1588} (( segid " " and resid 67 and name HN )) (( segid " " and resid 58 and name HN )) 3.200 1.300 1.300 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.69514E-03 ppm1 9.247 ppm2 7.555 CV 1 OR { 1588} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HD22)) ASSI { 1590} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB1 )) 3.000 1.100 1.100 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.10721E-02 ppm1 9.248 ppm2 3.022 CV 1 OR { 1590} (( segid " " and resid 67 and name HN )) (( segid " " and resid 42 and name HB2 )) OR { 1590} (( segid " " and resid 67 and name HN )) (( segid " " and resid 52 and name HB1 )) ASSI { 1593} (( segid " " and resid 67 and name HN )) (( segid " " and resid 60 and name HN )) 2.900 1.000 1.000 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.12771E-02 ppm1 9.249 ppm2 7.981 CV 1 OR { 1593} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HN )) ASSI { 1595} (( segid " " and resid 67 and name HN )) ( segid " " and resid 60 and name HD% ) 3.200 3.200 2.800 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.70319E-03 ppm1 9.249 ppm2 6.807 CV 1 OR { 1595} (( segid " " and resid 67 and name HN )) ( segid " " and resid 99 and name HE% ) ASSI { 1598} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB2 )) 3.000 1.100 1.100 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.11279E-02 ppm1 9.252 ppm2 3.190 CV 1 OR { 1598} (( segid " " and resid 67 and name HN )) (( segid " " and resid 99 and name HB1 )) OR { 1598} (( segid " " and resid 67 and name HN )) (( segid " " and resid 68 and name HA1 )) ASSI { 1605} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HB2 )) 3.000 1.100 1.100 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.10936E-02 ppm1 9.273 ppm2 3.737 CV 1 OR { 1605} (( segid " " and resid 102 and name HN )) (( segid " " and resid 128 and name HB )) ASSI { 1607} (( segid " " and resid 102 and name HN )) (( segid " " and resid 129 and name HB2 )) 3.100 1.200 1.200 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.85727E-03 ppm1 9.274 ppm2 1.565 CV 1 OR { 1607} (( segid " " and resid 102 and name HN )) (( segid " " and resid 100 and name HD2 )) OR { 1607} (( segid " " and resid 102 and name HN )) (( segid " " and resid 100 and name HG1 )) ASSI { 1611} (( segid " " and resid 82 and name HN )) ( segid " " and resid 105 and name HD% ) 3.100 1.200 1.200 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.80377E-03 ppm1 9.340 ppm2 6.705 CV 1 OR { 1611} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HE22)) ASSI { 1622} (( segid " " and resid 82 and name HN )) (( segid " " and resid 74 and name HG )) 2.700 0.900 0.900 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.17677E-02 ppm1 9.342 ppm2 1.470 CV 1 OR { 1622} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HB2 )) ASSI { 1623} (( segid " " and resid 82 and name HN )) ( segid " " and resid 77 and name HG1%) 2.900 1.000 1.000 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.13420E-02 ppm1 9.342 ppm2 0.884 CV 1 OR { 1623} (( segid " " and resid 82 and name HN )) ( segid " " and resid 80 and name HG1%) OR { 1623} (( segid " " and resid 82 and name HN )) (( segid " " and resid 74 and name HB2 )) ASSI { 1629} (( segid " " and resid 82 and name HN )) (( segid " " and resid 74 and name HA )) 3.100 1.200 1.200 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.92352E-03 ppm1 9.344 ppm2 4.477 CV 1 OR { 1629} (( segid " " and resid 82 and name HN )) (( segid " " and resid 80 and name HA )) ASSI { 1631} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB )) 3.000 1.100 1.100 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.96183E-03 ppm1 9.351 ppm2 1.493 CV 1 OR { 1631} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HG12)) ASSI { 1637} (( segid " " and resid 44 and name HN )) ( segid " " and resid 45 and name HD1%) 3.000 1.200 1.200 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.92802E-03 ppm1 9.354 ppm2 0.867 CV 1 OR { 1637} (( segid " " and resid 44 and name HN )) ( segid " " and resid 58 and name HG1%) OR { 1637} (( segid " " and resid 44 and name HN )) ( segid " " and resid 56 and name HG1%) OR { 1637} (( segid " " and resid 44 and name HN )) ( segid " " and resid 41 and name HG2%) ASSI { 1639} (( segid " " and resid 44 and name HN )) (( segid " " and resid 59 and name HN )) 3.300 1.300 1.300 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.62727E-03 ppm1 9.359 ppm2 9.228 CV 1 OR { 1639} (( segid " " and resid 44 and name HN )) (( segid " " and resid 31 and name HN )) ASSI { 1652} (( segid " " and resid 20 and name HN )) ( segid " " and resid 12 and name HG2%) 2.900 2.900 3.100 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.13159E-02 ppm1 9.374 ppm2 0.921 CV 1 OR { 1652} (( segid " " and resid 20 and name HN )) (( segid " " and resid 74 and name HB2 )) ASSI { 1661} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HG )) 3.200 1.300 1.300 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.70267E-03 ppm1 9.399 ppm2 1.675 CV 1 OR { 1661} (( segid " " and resid 129 and name HN )) (( segid " " and resid 100 and name HD1 )) ASSI { 1663} (( segid " " and resid 129 and name HN )) ( segid " " and resid 122 and name HD2%) 2.900 1.100 1.100 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.12191E-02 ppm1 9.401 ppm2 0.931 CV 1 OR { 1663} (( segid " " and resid 129 and name HN )) ( segid " " and resid 58 and name HG1%) OR { 1663} (( segid " " and resid 129 and name HN )) ( segid " " and resid 102 and name HG2%) ASSI { 1671} (( segid " " and resid 129 and name HN )) (( segid " " and resid 128 and name HB )) 3.100 1.200 1.200 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.88841E-03 ppm1 9.404 ppm2 3.689 CV 1 OR { 1671} (( segid " " and resid 129 and name HN )) (( segid " " and resid 127 and name HA )) ASSI { 1691} (( segid " " and resid 105 and name HN )) (( segid " " and resid 82 and name HE21)) 3.100 1.200 1.200 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.85158E-03 ppm1 9.562 ppm2 6.595 CV 1 OR { 1691} (( segid " " and resid 105 and name HN )) ( segid " " and resid 105 and name HE% ) ASSI { 1696} (( segid " " and resid 105 and name HN )) ( segid " " and resid 103 and name HG2%) 3.100 1.200 1.200 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.83035E-03 ppm1 9.572 ppm2 0.199 CV 1 OR { 1696} (( segid " " and resid 105 and name HN )) ( segid " " and resid 81 and name HD1%) ASSI { 1706} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB1 )) 2.900 1.000 1.000 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.13406E-02 ppm1 9.576 ppm2 2.829 CV 1 OR { 1706} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB1 )) OR { 1706} (( segid " " and resid 9 and name HN )) (( segid " " and resid 7 and name HB1 )) ASSI { 1722} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB2 )) 3.100 1.200 1.200 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.85986E-03 ppm1 9.589 ppm2 2.941 CV 1 OR { 1722} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB1 )) OR { 1722} (( segid " " and resid 9 and name HN )) (( segid " " and resid 46 and name HB2 )) ASSI { 1730} (( segid " " and resid 85 and name HN )) ( segid " " and resid 102 and name HG1%) 2.900 1.100 1.100 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.11949E-02 ppm1 9.666 ppm2 0.768 CV 1 OR { 1730} (( segid " " and resid 85 and name HN )) ( segid " " and resid 74 and name HD1%) ASSI { 1737} (( segid " " and resid 133 and name HE1 )) ( segid " " and resid 113 and name HB% ) 3.100 1.200 1.200 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.88346E-03 ppm1 9.689 ppm2 1.507 CV 1 OR { 1737} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 137 and name HB1 )) OR { 1737} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 117 and name HG1 )) OR { 1737} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 45 and name HG12)) OR { 1737} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 116 and name HB2 )) OR { 1737} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 81 and name HB2 )) ASSI { 1739} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 112 and name HA2 )) 2.900 2.900 3.100 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.11921E-02 ppm1 9.690 ppm2 3.954 CV 1 OR { 1739} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 116 and name HA )) ASSI { 1741} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 114 and name HB2 )) 3.000 1.200 1.200 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.93877E-03 ppm1 9.690 ppm2 2.911 CV 1 OR { 1741} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 134 and name HB2 )) OR { 1741} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 117 and name HD1 )) ASSI { 1751} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 105 and name HZ )) 2.700 2.700 3.300 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.19553E-02 ppm1 9.693 ppm2 6.825 CV 1 OR { 1751} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 108 and name HN )) ASSI { 1752} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 136 and name HD1 )) 3.000 3.000 3.000 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.95925E-03 ppm1 9.693 ppm2 4.145 CV 1 OR { 1752} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 112 and name HA1 )) ASSI { 1757} (( segid " " and resid 87 and name HN )) (( segid " " and resid 100 and name HD1 )) 3.000 3.000 3.000 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.10483E-02 ppm1 9.721 ppm2 1.738 CV 1 OR { 1757} (( segid " " and resid 87 and name HN )) (( segid " " and resid 97 and name HB1 )) OR { 1757} (( segid " " and resid 87 and name HN )) ( segid " " and resid 89 and name HB% ) ASSI { 1760} (( segid " " and resid 87 and name HN )) (( segid " " and resid 100 and name HB1 )) 2.800 1.000 1.000 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.14137E-02 ppm1 9.723 ppm2 1.917 CV 1 OR { 1760} (( segid " " and resid 87 and name HN )) (( segid " " and resid 100 and name HB2 )) OR { 1760} (( segid " " and resid 87 and name HN )) (( segid " " and resid 98 and name HB2 )) ASSI { 1764} (( segid " " and resid 87 and name HN )) (( segid " " and resid 98 and name HB1 )) 3.100 1.200 1.200 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.87130E-03 ppm1 9.725 ppm2 1.628 CV 1 OR { 1764} (( segid " " and resid 87 and name HN )) (( segid " " and resid 98 and name HD2 )) OR { 1764} (( segid " " and resid 87 and name HN )) (( segid " " and resid 100 and name HG1 )) OR { 1764} (( segid " " and resid 87 and name HN )) (( segid " " and resid 98 and name HD1 )) ASSI { 4} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 22 and name HB2 )) 2.300 0.700 0.700 peak 4 spectrum 1 weight 0.10000E+01 volume 0.54989E-02 ppm1 0.815 ppm2 1.523 CV 1 OR { 4} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 45 and name HG12)) OR { 4} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 26 and name HG2 )) OR { 4} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 83 and name HB2 )) ASSI { 6} (( segid " " and resid 32 and name HA )) (( segid " " and resid 33 and name HN )) 2.700 0.900 0.900 peak 6 spectrum 1 weight 0.10000E+01 volume 0.22915E-02 ppm1 5.470 ppm2 9.177 CV 1 OR { 6} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HN )) ASSI { 7} (( segid " " and resid 132 and name HA )) (( segid " " and resid 106 and name HN )) 2.700 2.700 3.300 peak 7 spectrum 1 weight 0.10000E+01 volume 0.23112E-02 ppm1 5.485 ppm2 8.369 CV 1 OR { 7} (( segid " " and resid 32 and name HA )) (( segid " " and resid 40 and name HN )) ASSI { 8} (( segid " " and resid 32 and name HA )) ( segid " " and resid 42 and name HD% ) 2.600 0.900 0.900 peak 8 spectrum 1 weight 0.10000E+01 volume 0.24322E-02 ppm1 5.425 ppm2 7.094 CV 1 OR { 8} (( segid " " and resid 60 and name HA )) ( segid " " and resid 42 and name HD% ) ASSI { 10} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HB2 )) 2.500 2.500 3.500 peak 10 spectrum 1 weight 0.10000E+01 volume 0.29450E-02 ppm1 4.256 ppm2 1.887 CV 1 OR { 10} (( segid " " and resid 147 and name HA )) (( segid " " and resid 144 and name HB2 )) ASSI { 16} (( segid " " and resid 32 and name HA )) (( segid " " and resid 41 and name HB )) 2.700 2.700 3.300 peak 16 spectrum 1 weight 0.10000E+01 volume 0.21539E-02 ppm1 5.422 ppm2 1.628 CV 1 OR { 16} (( segid " " and resid 60 and name HA )) (( segid " " and resid 41 and name HB )) OR { 16} (( segid " " and resid 60 and name HA )) (( segid " " and resid 129 and name HG )) OR { 16} (( segid " " and resid 32 and name HA )) (( segid " " and resid 51 and name HB2 )) OR { 16} (( segid " " and resid 60 and name HA )) (( segid " " and resid 64 and name HD1 )) OR { 16} (( segid " " and resid 60 and name HA )) (( segid " " and resid 64 and name HD2 )) ASSI { 26} ( segid " " and resid 43 and name HG2%) (( segid " " and resid 43 and name HB )) 2.100 0.500 0.500 peak 26 spectrum 1 weight 0.10000E+01 volume 0.10578E-01 ppm1 0.685 ppm2 1.533 CV 1 OR { 26} ( segid " " and resid 43 and name HG2%) (( segid " " and resid 45 and name HG12)) ASSI { 28} ( segid " " and resid 43 and name HG2%) ( segid " " and resid 45 and name HD1%) 1.900 0.500 0.500 peak 28 spectrum 1 weight 0.10000E+01 volume 0.14691E-01 ppm1 0.686 ppm2 0.893 CV 1 OR { 28} ( segid " " and resid 43 and name HG2%) ( segid " " and resid 58 and name HG1%) ASSI { 33} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 99 and name HB2 )) 2.900 1.000 1.000 peak 33 spectrum 1 weight 0.10000E+01 volume 0.14308E-02 ppm1 0.466 ppm2 3.155 CV 1 OR { 33} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 99 and name HB1 )) OR { 33} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 66 and name HB2 )) ASSI { 39} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 77 and name HG1%) 1.900 1.900 4.100 peak 39 spectrum 1 weight 0.10000E+01 volume 0.15379E-01 ppm1 2.225 ppm2 0.869 CV 1 OR { 39} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 102 and name HG2%) OR { 39} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 74 and name HB2 )) OR { 39} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 77 and name HG2%) ASSI { 42} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HB2 )) 2.200 0.600 0.600 peak 42 spectrum 1 weight 0.10000E+01 volume 0.73621E-02 ppm1 4.242 ppm2 1.874 CV 1 OR { 42} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HG11)) OR { 42} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HD2 )) OR { 42} (( segid " " and resid 147 and name HA )) (( segid " " and resid 144 and name HB2 )) ASSI { 49} (( segid " " and resid 64 and name HA )) (( segid " " and resid 60 and name HN )) 2.800 1.000 1.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.17378E-02 ppm1 3.480 ppm2 7.988 CV 1 OR { 49} (( segid " " and resid 64 and name HA )) (( segid " " and resid 63 and name HN )) ASSI { 50} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HG1 )) 2.600 0.900 0.900 peak 50 spectrum 1 weight 0.10000E+01 volume 0.24697E-02 ppm1 4.249 ppm2 2.274 CV 1 OR { 50} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HB2 )) OR { 50} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HB1 )) ASSI { 51} (( segid " " and resid 137 and name HA )) (( segid " " and resid 20 and name HA )) 2.700 2.700 3.300 peak 51 spectrum 1 weight 0.10000E+01 volume 0.23144E-02 ppm1 4.252 ppm2 4.703 CV 1 OR { 51} (( segid " " and resid 147 and name HA )) (( segid " " and resid 143 and name HA )) OR { 51} (( segid " " and resid 37 and name HA )) (( segid " " and resid 35 and name HA )) ASSI { 59} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HN )) 2.600 0.800 0.800 peak 59 spectrum 1 weight 0.10000E+01 volume 0.28482E-02 ppm1 4.236 ppm2 7.398 CV 1 OR { 59} (( segid " " and resid 137 and name HA )) (( segid " " and resid 138 and name HN )) ASSI { 62} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HG2 )) 2.500 0.800 0.800 peak 62 spectrum 1 weight 0.10000E+01 volume 0.35107E-02 ppm1 4.260 ppm2 1.320 CV 1 OR { 62} (( segid " " and resid 37 and name HA )) (( segid " " and resid 38 and name HG2 )) OR { 62} (( segid " " and resid 45 and name HA )) ( segid " " and resid 83 and name HD1%) ASSI { 70} ( segid " " and resid 99 and name HE% ) (( segid " " and resid 94 and name HB2 )) 2.800 0.900 1.500 peak 70 spectrum 1 weight 0.10000E+01 volume 0.20836E-02 ppm1 6.836 ppm2 1.743 CV 1 OR { 70} ( segid " " and resid 99 and name HE% ) ( segid " " and resid 89 and name HB% ) OR { 70} ( segid " " and resid 99 and name HE% ) (( segid " " and resid 94 and name HD2 )) OR { 70} ( segid " " and resid 99 and name HE% ) (( segid " " and resid 94 and name HD1 )) OR { 70} ( segid " " and resid 99 and name HE% ) (( segid " " and resid 94 and name HB1 )) ASSI { 82} ( segid " " and resid 89 and name HB% ) ( segid " " and resid 67 and name HB% ) 2.700 2.700 3.300 peak 82 spectrum 1 weight 0.10000E+01 volume 0.22677E-02 ppm1 1.720 ppm2 1.221 CV 1 OR { 82} ( segid " " and resid 89 and name HB% ) ( segid " " and resid 56 and name HG1%) OR { 82} ( segid " " and resid 89 and name HB% ) (( segid " " and resid 98 and name HG1 )) OR { 82} ( segid " " and resid 89 and name HB% ) (( segid " " and resid 98 and name HG2 )) ASSI { 83} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HB1 )) 1.900 0.400 0.400 peak 83 spectrum 1 weight 0.10000E+01 volume 0.17397E-01 ppm1 4.257 ppm2 1.816 CV 1 OR { 83} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HB2 )) OR { 83} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HB2 )) ASSI { 86} (( segid " " and resid 50 and name HA )) (( segid " " and resid 49 and name HA )) 2.500 2.500 3.500 peak 86 spectrum 1 weight 0.10000E+01 volume 0.29652E-02 ppm1 4.247 ppm2 4.859 CV 1 OR { 86} (( segid " " and resid 45 and name HA )) (( segid " " and resid 44 and name HA1 )) OR { 86} (( segid " " and resid 45 and name HA )) (( segid " " and resid 70 and name HA )) OR { 86} (( segid " " and resid 31 and name HA )) (( segid " " and resid 44 and name HA1 )) ASSI { 97} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 103 and name HN )) 2.700 0.900 0.900 peak 97 spectrum 1 weight 0.10000E+01 volume 0.21504E-02 ppm1 0.188 ppm2 9.252 CV 1 OR { 97} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 132 and name HN )) ASSI { 102} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 133 and name HD1 )) 2.500 2.500 3.500 peak 102 spectrum 1 weight 0.10000E+01 volume 0.29313E-02 ppm1 0.193 ppm2 6.945 CV 1 OR { 102} ( segid " " and resid 103 and name HG2%) ( segid " " and resid 119 and name HE% ) ASSI { 105} ( segid " " and resid 96 and name HB% ) (( segid " " and resid 93 and name HA )) 2.800 0.800 3.200 peak 105 spectrum 1 weight 0.10000E+01 volume 0.31921E-02 ppm1 1.422 ppm2 4.402 CV 1 OR { 105} ( segid " " and resid 96 and name HB% ) (( segid " " and resid 94 and name HA )) ASSI { 109} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 117 and name HB2 )) 2.600 2.600 3.400 peak 109 spectrum 1 weight 0.10000E+01 volume 0.26830E-02 ppm1 0.197 ppm2 1.339 CV 1 OR { 109} ( segid " " and resid 103 and name HG2%) ( segid " " and resid 83 and name HD1%) OR { 109} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 22 and name HB1 )) ASSI { 111} ( segid " " and resid 103 and name HG2%) ( segid " " and resid 45 and name HD1%) 2.400 0.700 0.700 peak 111 spectrum 1 weight 0.10000E+01 volume 0.43416E-02 ppm1 0.195 ppm2 0.883 CV 1 OR { 111} ( segid " " and resid 103 and name HG2%) ( segid " " and resid 33 and name HG2%) OR { 111} ( segid " " and resid 103 and name HG2%) ( segid " " and resid 80 and name HG1%) OR { 111} ( segid " " and resid 103 and name HG2%) ( segid " " and resid 120 and name HG1%) ASSI { 118} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HG2 )) 2.600 0.800 0.800 peak 118 spectrum 1 weight 0.10000E+01 volume 0.28419E-02 ppm1 4.360 ppm2 1.497 CV 1 OR { 118} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HG12)) OR { 118} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HG1 )) ASSI { 127} (( segid " " and resid 23 and name HA )) (( segid " " and resid 26 and name HB2 )) 2.800 1.000 3.200 peak 127 spectrum 1 weight 0.10000E+01 volume 0.29127E-02 ppm1 4.189 ppm2 1.762 CV 1 OR { 127} (( segid " " and resid 23 and name HA )) (( segid " " and resid 25 and name HB1 )) OR { 127} (( segid " " and resid 125 and name HA )) (( segid " " and resid 124 and name HG1 )) OR { 127} (( segid " " and resid 125 and name HA )) (( segid " " and resid 124 and name HD2 )) OR { 127} (( segid " " and resid 125 and name HA )) (( segid " " and resid 124 and name HD1 )) ASSI { 128} (( segid " " and resid 36 and name HA )) ( segid " " and resid 34 and name HB% ) 3.300 1.000 1.500 peak 128 spectrum 1 weight 0.10000E+01 volume 0.20452E-02 ppm1 4.200 ppm2 1.582 CV 1 OR { 128} (( segid " " and resid 125 and name HA )) (( segid " " and resid 124 and name HG2 )) OR { 128} (( segid " " and resid 36 and name HA )) (( segid " " and resid 38 and name HD1 )) OR { 128} (( segid " " and resid 23 and name HA )) (( segid " " and resid 45 and name HG12)) OR { 128} (( segid " " and resid 23 and name HA )) (( segid " " and resid 137 and name HB1 )) OR { 128} (( segid " " and resid 36 and name HA )) (( segid " " and resid 38 and name HD2 )) OR { 128} (( segid " " and resid 125 and name HA )) (( segid " " and resid 122 and name HG )) ASSI { 140} (( segid " " and resid 23 and name HA )) (( segid " " and resid 23 and name HB2 )) 2.300 0.700 0.700 peak 140 spectrum 1 weight 0.10000E+01 volume 0.48299E-02 ppm1 4.188 ppm2 2.556 CV 1 OR { 140} (( segid " " and resid 125 and name HA )) (( segid " " and resid 125 and name HG1 )) ASSI { 141} ( segid " " and resid 138 and name HB% ) ( segid " " and resid 135 and name HG2%) 1.900 0.500 0.500 peak 141 spectrum 1 weight 0.10000E+01 volume 0.16234E-01 ppm1 1.207 ppm2 1.105 CV 1 OR { 141} ( segid " " and resid 67 and name HB% ) ( segid " " and resid 129 and name HD2%) ASSI { 147} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 116 and name HN )) 2.400 2.400 3.600 peak 147 spectrum 1 weight 0.10000E+01 volume 0.43217E-02 ppm1 2.872 ppm2 7.649 CV 1 OR { 147} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 10 and name HN )) OR { 147} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 10 and name HN )) ASSI { 148} ( segid " " and resid 41 and name HG2%) ( segid " " and resid 131 and name HD% ) 2.200 2.200 3.800 peak 148 spectrum 1 weight 0.10000E+01 volume 0.65293E-02 ppm1 0.811 ppm2 7.129 CV 1 OR { 148} ( segid " " and resid 41 and name HG2%) ( segid " " and resid 42 and name HD% ) ASSI { 149} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 35 and name HD% ) 2.700 0.900 0.900 peak 149 spectrum 1 weight 0.10000E+01 volume 0.22709E-02 ppm1 2.422 ppm2 6.793 CV 1 OR { 149} (( segid " " and resid 13 and name HB2 )) ( segid " " and resid 76 and name HE% ) ASSI { 150} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 60 and name HA )) 2.500 0.800 0.800 peak 150 spectrum 1 weight 0.10000E+01 volume 0.31499E-02 ppm1 0.813 ppm2 5.410 CV 1 OR { 150} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 43 and name HA )) ASSI { 151} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HA )) 2.100 0.500 0.500 peak 151 spectrum 1 weight 0.10000E+01 volume 0.10535E-01 ppm1 2.915 ppm2 4.843 CV 1 OR { 151} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 4 and name HA )) OR { 151} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HA )) ASSI { 161} (( segid " " and resid 23 and name HB1 )) (( segid " " and resid 24 and name HN )) 2.600 0.900 0.900 peak 161 spectrum 1 weight 0.10000E+01 volume 0.23484E-02 ppm1 3.097 ppm2 8.764 CV 1 OR { 161} (( segid " " and resid 23 and name HB1 )) (( segid " " and resid 23 and name HD22)) ASSI { 162} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 24 and name HN )) 2.600 0.800 0.800 peak 162 spectrum 1 weight 0.10000E+01 volume 0.28675E-02 ppm1 2.531 ppm2 8.768 CV 1 OR { 162} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 23 and name HD22)) ASSI { 163} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HD22)) 2.400 0.700 0.700 peak 163 spectrum 1 weight 0.10000E+01 volume 0.46228E-02 ppm1 2.922 ppm2 7.547 CV 1 OR { 163} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 116 and name HN )) ASSI { 164} ( segid " " and resid 41 and name HG2%) ( segid " " and resid 99 and name HD% ) 2.400 2.400 3.600 peak 164 spectrum 1 weight 0.10000E+01 volume 0.45310E-02 ppm1 0.815 ppm2 7.279 CV 1 OR { 164} ( segid " " and resid 41 and name HG2%) ( segid " " and resid 31 and name HD% ) ASSI { 165} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 10 and name HE22)) 2.500 0.800 0.800 peak 165 spectrum 1 weight 0.10000E+01 volume 0.34764E-02 ppm1 2.927 ppm2 6.844 CV 1 OR { 165} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 10 and name HE22)) OR { 165} (( segid " " and resid 4 and name HB2 )) ( segid " " and resid 76 and name HD% ) OR { 165} (( segid " " and resid 4 and name HB1 )) ( segid " " and resid 76 and name HD% ) ASSI { 166} ( segid " " and resid 67 and name HB% ) ( segid " " and resid 60 and name HD% ) 2.700 0.900 0.900 peak 166 spectrum 1 weight 0.10000E+01 volume 0.20214E-02 ppm1 1.195 ppm2 6.740 CV 1 OR { 166} ( segid " " and resid 138 and name HB% ) (( segid " " and resid 108 and name HN )) OR { 166} ( segid " " and resid 138 and name HB% ) ( segid " " and resid 105 and name HD% ) ASSI { 167} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 99 and name HB1 )) 2.600 0.800 0.800 peak 167 spectrum 1 weight 0.10000E+01 volume 0.27116E-02 ppm1 1.204 ppm2 3.124 CV 1 OR { 167} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 99 and name HB2 )) OR { 167} ( segid " " and resid 138 and name HB% ) (( segid " " and resid 107 and name HB1 )) ASSI { 168} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 42 and name HB2 )) 2.500 2.500 3.500 peak 168 spectrum 1 weight 0.10000E+01 volume 0.35500E-02 ppm1 0.814 ppm2 2.941 CV 1 OR { 168} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 60 and name HB2 )) OR { 168} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 42 and name HB1 )) OR { 168} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 131 and name HB1 )) OR { 168} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 119 and name HB2 )) ASSI { 170} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 41 and name HG11)) 2.300 0.600 0.600 peak 170 spectrum 1 weight 0.10000E+01 volume 0.57719E-02 ppm1 0.812 ppm2 1.420 CV 1 OR { 170} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 43 and name HG11)) ASSI { 173} (( segid " " and resid 87 and name HB1 )) (( segid " " and resid 87 and name HN )) 2.600 2.600 3.400 peak 173 spectrum 1 weight 0.10000E+01 volume 0.26107E-02 ppm1 3.102 ppm2 9.761 CV 1 OR { 173} (( segid " " and resid 114 and name HB1 )) (( segid " " and resid 133 and name HE1 )) ASSI { 175} ( segid " " and resid 113 and name HB% ) (( segid " " and resid 136 and name HD1 )) 2.800 0.900 1.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.23173E-02 ppm1 1.513 ppm2 4.185 CV 1 OR { 175} ( segid " " and resid 113 and name HB% ) (( segid " " and resid 112 and name HA1 )) OR { 175} ( segid " " and resid 15 and name HB% ) (( segid " " and resid 17 and name HA2 )) ASSI { 176} ( segid " " and resid 113 and name HB% ) (( segid " " and resid 110 and name HB1 )) 2.400 2.400 3.600 peak 176 spectrum 1 weight 0.10000E+01 volume 0.41338E-02 ppm1 1.519 ppm2 2.886 CV 1 OR { 176} ( segid " " and resid 113 and name HB% ) (( segid " " and resid 114 and name HB2 )) ASSI { 186} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 136 and name HD2 )) 2.300 0.700 0.700 peak 186 spectrum 1 weight 0.10000E+01 volume 0.50702E-02 ppm1 1.074 ppm2 3.782 CV 1 OR { 186} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 136 and name HD2 )) ASSI { 190} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 137 and name HB1 )) 2.200 2.200 3.800 peak 190 spectrum 1 weight 0.10000E+01 volume 0.71443E-02 ppm1 1.078 ppm2 1.535 CV 1 OR { 190} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 81 and name HB2 )) OR { 190} ( segid " " and resid 108 and name HG2%) ( segid " " and resid 113 and name HB% ) ASSI { 194} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 136 and name HA )) 2.700 0.900 0.900 peak 194 spectrum 1 weight 0.10000E+01 volume 0.21680E-02 ppm1 1.072 ppm2 5.172 CV 1 OR { 194} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 136 and name HA )) ASSI { 195} ( segid " " and resid 113 and name HB% ) (( segid " " and resid 114 and name HA )) 2.700 2.700 3.300 peak 195 spectrum 1 weight 0.10000E+01 volume 0.20179E-02 ppm1 1.433 ppm2 4.823 CV 1 OR { 195} ( segid " " and resid 113 and name HB% ) (( segid " " and resid 110 and name HA )) ASSI { 199} ( segid " " and resid 113 and name HB% ) (( segid " " and resid 111 and name HA )) 2.300 2.300 3.700 peak 199 spectrum 1 weight 0.10000E+01 volume 0.53139E-02 ppm1 1.433 ppm2 4.434 CV 1 OR { 199} ( segid " " and resid 113 and name HB% ) (( segid " " and resid 25 and name HA )) ASSI { 200} ( segid " " and resid 113 and name HB% ) ( segid " " and resid 137 and name HD1%) 2.500 2.500 3.500 peak 200 spectrum 1 weight 0.10000E+01 volume 0.32650E-02 ppm1 1.427 ppm2 0.953 CV 1 OR { 200} ( segid " " and resid 113 and name HB% ) (( segid " " and resid 117 and name HG2 )) OR { 200} ( segid " " and resid 113 and name HB% ) (( segid " " and resid 137 and name HG )) ASSI { 202} ( segid " " and resid 113 and name HB% ) ( segid " " and resid 137 and name HD2%) 2.200 2.200 3.800 peak 202 spectrum 1 weight 0.10000E+01 volume 0.74336E-02 ppm1 1.434 ppm2 0.776 CV 1 OR { 202} ( segid " " and resid 113 and name HB% ) ( segid " " and resid 45 and name HG2%) ASSI { 213} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 110 and name HN )) 2.600 0.800 0.800 peak 213 spectrum 1 weight 0.10000E+01 volume 0.27052E-02 ppm1 1.068 ppm2 8.401 CV 1 OR { 213} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 137 and name HN )) ASSI { 219} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 103 and name HB )) 2.400 2.400 3.600 peak 219 spectrum 1 weight 0.10000E+01 volume 0.45691E-02 ppm1 1.059 ppm2 1.596 CV 1 OR { 219} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 117 and name HB1 )) OR { 219} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 117 and name HG1 )) OR { 219} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 117 and name HG1 )) OR { 219} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 117 and name HB1 )) OR { 219} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 103 and name HB )) OR { 219} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 19 and name HB1 )) OR { 219} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 120 and name HB )) OR { 219} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 120 and name HB )) ASSI { 225} (( segid " " and resid 43 and name HA )) ( segid " " and resid 58 and name HG1%) 2.500 0.800 0.800 peak 225 spectrum 1 weight 0.10000E+01 volume 0.30471E-02 ppm1 5.407 ppm2 0.866 CV 1 OR { 225} (( segid " " and resid 43 and name HA )) ( segid " " and resid 41 and name HG2%) ASSI { 233} ( segid " " and resid 135 and name HG2%) ( segid " " and resid 105 and name HD% ) 2.100 0.600 0.600 peak 233 spectrum 1 weight 0.10000E+01 volume 0.84400E-02 ppm1 1.068 ppm2 6.727 CV 1 OR { 233} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 108 and name HN )) ASSI { 249} (( segid " " and resid 105 and name HB1 )) ( segid " " and resid 105 and name HD% ) 2.700 0.900 0.900 peak 249 spectrum 1 weight 0.10000E+01 volume 0.19496E-02 ppm1 2.837 ppm2 6.734 CV 1 OR { 249} (( segid " " and resid 130 and name HB1 )) (( segid " " and resid 121 and name HN )) ASSI { 250} ( segid " " and resid 106 and name HG2%) (( segid " " and resid 104 and name HB2 )) 2.700 0.900 0.900 peak 250 spectrum 1 weight 0.10000E+01 volume 0.20489E-02 ppm1 0.602 ppm2 3.572 CV 1 OR { 250} ( segid " " and resid 106 and name HG2%) (( segid " " and resid 132 and name HB2 )) OR { 250} ( segid " " and resid 106 and name HG2%) (( segid " " and resid 132 and name HB1 )) ASSI { 251} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HB )) 2.600 0.900 0.900 peak 251 spectrum 1 weight 0.10000E+01 volume 0.25407E-02 ppm1 4.367 ppm2 1.148 CV 1 OR { 251} (( segid " " and resid 106 and name HA )) ( segid " " and resid 138 and name HB% ) ASSI { 254} (( segid " " and resid 130 and name HB2 )) ( segid " " and resid 120 and name HG2%) 2.600 0.900 0.900 peak 254 spectrum 1 weight 0.10000E+01 volume 0.25098E-02 ppm1 2.627 ppm2 0.785 CV 1 OR { 254} (( segid " " and resid 130 and name HB2 )) ( segid " " and resid 120 and name HG1%) OR { 254} (( segid " " and resid 76 and name HB1 )) ( segid " " and resid 11 and name HG2%) ASSI { 259} ( segid " " and resid 11 and name HG2%) ( segid " " and resid 76 and name HD% ) 2.700 0.900 0.900 peak 259 spectrum 1 weight 0.10000E+01 volume 0.21768E-02 ppm1 0.748 ppm2 6.925 CV 1 OR { 259} ( segid " " and resid 11 and name HG2%) ( segid " " and resid 20 and name HE% ) ASSI { 260} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 20 and name HB1 )) 2.800 0.700 1.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.40679E-02 ppm1 0.760 ppm2 3.084 CV 1 OR { 260} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 18 and name HB2 )) OR { 260} ( segid " " and resid 120 and name HG2%) (( segid " " and resid 119 and name HB1 )) OR { 260} ( segid " " and resid 102 and name HG1%) (( segid " " and resid 99 and name HB1 )) OR { 260} ( segid " " and resid 102 and name HG1%) (( segid " " and resid 127 and name HB1 )) OR { 260} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 107 and name HB1 )) OR { 260} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 139 and name HB2 )) OR { 260} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 133 and name HB1 )) OR { 260} ( segid " " and resid 120 and name HG2%) (( segid " " and resid 133 and name HB1 )) OR { 260} ( segid " " and resid 102 and name HG1%) (( segid " " and resid 71 and name HB2 )) OR { 260} ( segid " " and resid 102 and name HG1%) (( segid " " and resid 133 and name HB1 )) OR { 260} ( segid " " and resid 120 and name HG2%) (( segid " " and resid 124 and name HE2 )) OR { 260} ( segid " " and resid 102 and name HG1%) (( segid " " and resid 119 and name HB1 )) OR { 260} ( segid " " and resid 120 and name HG2%) (( segid " " and resid 124 and name HE1 )) OR { 260} ( segid " " and resid 120 and name HG2%) (( segid " " and resid 116 and name HE1 )) OR { 260} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 2 and name HE1 )) OR { 260} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 2 and name HE2 )) OR { 260} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 71 and name HB2 )) ASSI { 261} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 11 and name HB )) 2.100 0.600 0.600 peak 261 spectrum 1 weight 0.10000E+01 volume 0.87339E-02 ppm1 0.764 ppm2 2.259 CV 1 OR { 261} ( segid " " and resid 102 and name HG1%) (( segid " " and resid 82 and name HG1 )) ASSI { 264} (( segid " " and resid 126 and name HA )) (( segid " " and resid 97 and name HB2 )) 2.700 0.900 0.900 peak 264 spectrum 1 weight 0.10000E+01 volume 0.21502E-02 ppm1 4.382 ppm2 1.440 CV 1 OR { 264} (( segid " " and resid 33 and name HA )) (( segid " " and resid 40 and name HB2 )) OR { 264} (( segid " " and resid 33 and name HA )) (( segid " " and resid 41 and name HG11)) ASSI { 265} (( segid " " and resid 126 and name HA )) ( segid " " and resid 126 and name HG2%) 2.100 0.500 0.500 peak 265 spectrum 1 weight 0.10000E+01 volume 0.98148E-02 ppm1 4.381 ppm2 1.199 CV 1 OR { 265} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HB )) OR { 265} (( segid " " and resid 80 and name HA )) ( segid " " and resid 138 and name HB% ) OR { 265} (( segid " " and resid 106 and name HA )) ( segid " " and resid 138 and name HB% ) ASSI { 266} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HB2 )) 2.200 0.600 0.600 peak 266 spectrum 1 weight 0.10000E+01 volume 0.65527E-02 ppm1 3.107 ppm2 2.714 CV 1 OR { 266} (( segid " " and resid 127 and name HB1 )) (( segid " " and resid 127 and name HB2 )) ASSI { 267} (( segid " " and resid 20 and name HB1 )) ( segid " " and resid 11 and name HG2%) 2.600 0.900 0.900 peak 267 spectrum 1 weight 0.10000E+01 volume 0.24867E-02 ppm1 3.081 ppm2 0.783 CV 1 OR { 267} (( segid " " and resid 20 and name HB1 )) ( segid " " and resid 19 and name HD2%) OR { 267} (( segid " " and resid 20 and name HB1 )) ( segid " " and resid 19 and name HD1%) OR { 267} (( segid " " and resid 20 and name HB1 )) ( segid " " and resid 74 and name HD1%) OR { 267} (( segid " " and resid 20 and name HB1 )) ( segid " " and resid 137 and name HD2%) ASSI { 270} (( segid " " and resid 80 and name HA )) ( segid " " and resid 76 and name HE% ) 2.600 0.900 0.900 peak 270 spectrum 1 weight 0.10000E+01 volume 0.24368E-02 ppm1 4.467 ppm2 6.813 CV 1 OR { 270} (( segid " " and resid 80 and name HA )) (( segid " " and resid 79 and name HN )) OR { 270} (( segid " " and resid 118 and name HA )) ( segid " " and resid 119 and name HD% ) ASSI { 275} (( segid " " and resid 80 and name HA )) (( segid " " and resid 79 and name HA )) 2.600 2.600 3.400 peak 275 spectrum 1 weight 0.10000E+01 volume 0.25013E-02 ppm1 4.506 ppm2 3.518 CV 1 OR { 275} (( segid " " and resid 16 and name HA )) (( segid " " and resid 17 and name HA1 )) OR { 275} (( segid " " and resid 41 and name HA )) (( segid " " and resid 64 and name HA )) OR { 275} (( segid " " and resid 118 and name HA )) (( segid " " and resid 132 and name HB2 )) ASSI { 277} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HB )) 2.400 0.700 0.700 peak 277 spectrum 1 weight 0.10000E+01 volume 0.41683E-02 ppm1 4.480 ppm2 2.209 CV 1 OR { 277} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB )) ASSI { 278} (( segid " " and resid 29 and name HA )) (( segid " " and resid 50 and name HG1 )) 2.500 2.500 3.500 peak 278 spectrum 1 weight 0.10000E+01 volume 0.35040E-02 ppm1 4.215 ppm2 1.463 CV 1 OR { 278} (( segid " " and resid 77 and name HA )) ( segid " " and resid 11 and name HG1%) OR { 278} (( segid " " and resid 29 and name HA )) (( segid " " and resid 25 and name HB2 )) OR { 278} (( segid " " and resid 77 and name HA )) (( segid " " and resid 81 and name HG )) OR { 278} (( segid " " and resid 77 and name HA )) (( segid " " and resid 81 and name HB2 )) OR { 278} (( segid " " and resid 77 and name HA )) (( segid " " and resid 74 and name HG )) OR { 278} (( segid " " and resid 29 and name HA )) (( segid " " and resid 26 and name HG2 )) OR { 278} (( segid " " and resid 29 and name HA )) (( segid " " and resid 45 and name HG12)) OR { 278} (( segid " " and resid 29 and name HA )) (( segid " " and resid 26 and name HG1 )) OR { 278} (( segid " " and resid 29 and name HA )) (( segid " " and resid 43 and name HB )) OR { 278} (( segid " " and resid 77 and name HA )) (( segid " " and resid 2 and name HG2 )) ASSI { 279} (( segid " " and resid 106 and name HA )) ( segid " " and resid 80 and name HG2%) 2.100 0.600 0.600 peak 279 spectrum 1 weight 0.10000E+01 volume 0.87540E-02 ppm1 4.395 ppm2 0.954 CV 1 OR { 279} (( segid " " and resid 126 and name HA )) ( segid " " and resid 97 and name HD1%) OR { 279} (( segid " " and resid 126 and name HA )) ( segid " " and resid 97 and name HD2%) OR { 279} (( segid " " and resid 80 and name HA )) ( segid " " and resid 80 and name HG2%) ASSI { 280} (( segid " " and resid 33 and name HA )) ( segid " " and resid 40 and name HD1%) 2.600 2.600 3.400 peak 280 spectrum 1 weight 0.10000E+01 volume 0.27477E-02 ppm1 4.419 ppm2 0.747 CV 1 OR { 280} (( segid " " and resid 103 and name HA )) ( segid " " and resid 120 and name HG1%) OR { 280} (( segid " " and resid 103 and name HA )) ( segid " " and resid 102 and name HG1%) OR { 280} (( segid " " and resid 33 and name HA )) ( segid " " and resid 41 and name HG2%) OR { 280} (( segid " " and resid 118 and name HA )) ( segid " " and resid 120 and name HG1%) OR { 280} (( segid " " and resid 103 and name HA )) ( segid " " and resid 43 and name HG2%) OR { 280} (( segid " " and resid 80 and name HA )) ( segid " " and resid 74 and name HD1%) OR { 280} (( segid " " and resid 103 and name HA )) ( segid " " and resid 120 and name HG2%) OR { 280} (( segid " " and resid 33 and name HA )) ( segid " " and resid 43 and name HG2%) ASSI { 281} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 30 and name HA2 )) 2.700 0.900 0.900 peak 281 spectrum 1 weight 0.10000E+01 volume 0.23219E-02 ppm1 0.962 ppm2 4.238 CV 1 OR { 281} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 50 and name HA )) OR { 281} ( segid " " and resid 118 and name HG1%) (( segid " " and resid 117 and name HA )) OR { 281} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 31 and name HA )) ASSI { 284} ( segid " " and resid 120 and name HG2%) (( segid " " and resid 130 and name HB2 )) 2.600 0.900 0.900 peak 284 spectrum 1 weight 0.10000E+01 volume 0.25495E-02 ppm1 0.719 ppm2 2.600 CV 1 OR { 284} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 76 and name HB1 )) ASSI { 285} ( segid " " and resid 77 and name HG1%) (( segid " " and resid 75 and name HB1 )) 2.600 0.900 0.900 peak 285 spectrum 1 weight 0.10000E+01 volume 0.24526E-02 ppm1 0.775 ppm2 2.082 CV 1 OR { 285} ( segid " " and resid 77 and name HG1%) (( segid " " and resid 75 and name HB2 )) OR { 285} ( segid " " and resid 77 and name HG1%) (( segid " " and resid 80 and name HB )) OR { 285} ( segid " " and resid 77 and name HG1%) (( segid " " and resid 82 and name HG2 )) OR { 285} ( segid " " and resid 77 and name HG2%) (( segid " " and resid 80 and name HB )) OR { 285} ( segid " " and resid 102 and name HG1%) (( segid " " and resid 82 and name HG2 )) OR { 285} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 75 and name HB1 )) ASSI { 291} ( segid " " and resid 118 and name HG1%) (( segid " " and resid 133 and name HA )) 2.300 2.300 3.700 peak 291 spectrum 1 weight 0.10000E+01 volume 0.48763E-02 ppm1 1.016 ppm2 4.999 CV 1 OR { 291} ( segid " " and resid 84 and name HG2%) (( segid " " and resid 75 and name HA )) OR { 291} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 123 and name HA )) OR { 291} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 75 and name HA )) OR { 291} ( segid " " and resid 84 and name HG1%) (( segid " " and resid 75 and name HA )) OR { 291} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 133 and name HA )) OR { 291} ( segid " " and resid 84 and name HG1%) (( segid " " and resid 123 and name HA )) OR { 291} ( segid " " and resid 84 and name HG2%) (( segid " " and resid 123 and name HA )) ASSI { 292} ( segid " " and resid 118 and name HG1%) (( segid " " and resid 118 and name HA )) 2.100 0.500 0.500 peak 292 spectrum 1 weight 0.10000E+01 volume 0.10364E-01 ppm1 0.952 ppm2 4.488 CV 1 OR { 292} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 80 and name HA )) ASSI { 293} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 44 and name HA2 )) 2.500 0.800 0.800 peak 293 spectrum 1 weight 0.10000E+01 volume 0.30660E-02 ppm1 1.018 ppm2 3.648 CV 1 OR { 293} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 132 and name HB2 )) OR { 293} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 132 and name HB1 )) ASSI { 294} ( segid " " and resid 84 and name HG1%) (( segid " " and resid 100 and name HE1 )) 2.400 0.700 0.700 peak 294 spectrum 1 weight 0.10000E+01 volume 0.38520E-02 ppm1 0.919 ppm2 2.987 CV 1 OR { 294} ( segid " " and resid 84 and name HG1%) (( segid " " and resid 100 and name HE2 )) OR { 294} ( segid " " and resid 118 and name HG1%) (( segid " " and resid 119 and name HB2 )) OR { 294} ( segid " " and resid 84 and name HG1%) (( segid " " and resid 85 and name HB2 )) OR { 294} ( segid " " and resid 84 and name HG2%) (( segid " " and resid 100 and name HE1 )) OR { 294} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 100 and name HE1 )) OR { 294} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 100 and name HE2 )) ASSI { 296} ( segid " " and resid 84 and name HG1%) (( segid " " and resid 86 and name HB1 )) 2.500 0.800 0.800 peak 296 spectrum 1 weight 0.10000E+01 volume 0.35353E-02 ppm1 0.908 ppm2 2.828 CV 1 OR { 296} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 78 and name HB2 )) OR { 296} ( segid " " and resid 77 and name HG2%) (( segid " " and resid 78 and name HB2 )) OR { 296} ( segid " " and resid 77 and name HG1%) (( segid " " and resid 78 and name HB2 )) ASSI { 297} ( segid " " and resid 77 and name HG1%) (( segid " " and resid 82 and name HG1 )) 2.600 0.800 0.800 peak 297 spectrum 1 weight 0.10000E+01 volume 0.26271E-02 ppm1 0.768 ppm2 2.145 CV 1 OR { 297} ( segid " " and resid 77 and name HG1%) (( segid " " and resid 75 and name HB1 )) OR { 297} ( segid " " and resid 77 and name HG1%) (( segid " " and resid 75 and name HB2 )) OR { 297} ( segid " " and resid 77 and name HG1%) (( segid " " and resid 80 and name HB )) OR { 297} ( segid " " and resid 77 and name HG1%) (( segid " " and resid 82 and name HG2 )) OR { 297} ( segid " " and resid 77 and name HG1%) ( segid " " and resid 75 and name HE% ) OR { 297} ( segid " " and resid 77 and name HG2%) (( segid " " and resid 80 and name HB )) OR { 297} ( segid " " and resid 102 and name HG1%) (( segid " " and resid 82 and name HG2 )) OR { 297} ( segid " " and resid 102 and name HG1%) (( segid " " and resid 82 and name HG1 )) OR { 297} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 75 and name HB1 )) ASSI { 298} ( segid " " and resid 102 and name HG1%) (( segid " " and resid 100 and name HD1 )) 2.500 0.800 0.800 peak 298 spectrum 1 weight 0.10000E+01 volume 0.31520E-02 ppm1 0.772 ppm2 1.673 CV 1 OR { 298} ( segid " " and resid 102 and name HG1%) (( segid " " and resid 100 and name HD2 )) OR { 298} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 81 and name HB1 )) OR { 298} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 74 and name HB1 )) OR { 298} ( segid " " and resid 77 and name HG1%) (( segid " " and resid 81 and name HB1 )) ASSI { 299} (( segid " " and resid 54 and name HA )) (( segid " " and resid 48 and name HA2 )) 2.700 0.900 0.900 peak 299 spectrum 1 weight 0.10000E+01 volume 0.22665E-02 ppm1 4.334 ppm2 3.545 CV 1 OR { 299} (( segid " " and resid 54 and name HA )) (( segid " " and resid 55 and name HA2 )) ASSI { 300} (( segid " " and resid 58 and name HA )) ( segid " " and resid 56 and name HG1%) 2.600 0.800 0.800 peak 300 spectrum 1 weight 0.10000E+01 volume 0.25918E-02 ppm1 5.480 ppm2 1.244 CV 1 OR { 300} (( segid " " and resid 58 and name HA )) ( segid " " and resid 67 and name HB% ) ASSI { 308} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HA )) 2.400 0.700 0.700 peak 308 spectrum 1 weight 0.10000E+01 volume 0.44915E-02 ppm1 2.744 ppm2 4.835 CV 1 OR { 308} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 7 and name HA )) OR { 308} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HA )) ASSI { 310} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 102 and name HA )) 2.500 0.800 0.800 peak 310 spectrum 1 weight 0.10000E+01 volume 0.34079E-02 ppm1 0.927 ppm2 4.741 CV 1 OR { 310} ( segid " " and resid 84 and name HG1%) (( segid " " and resid 84 and name HA )) OR { 310} ( segid " " and resid 84 and name HG2%) (( segid " " and resid 84 and name HA )) OR { 310} ( segid " " and resid 84 and name HG2%) (( segid " " and resid 102 and name HA )) ASSI { 311} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 48 and name HA1 )) 2.600 0.800 0.800 peak 311 spectrum 1 weight 0.10000E+01 volume 0.27227E-02 ppm1 1.019 ppm2 3.901 CV 1 OR { 311} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 30 and name HA1 )) ASSI { 312} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 48 and name HA1 )) 2.600 0.800 0.800 peak 312 spectrum 1 weight 0.10000E+01 volume 0.27303E-02 ppm1 1.014 ppm2 3.870 CV 1 OR { 312} ( segid " " and resid 49 and name HG2%) (( segid " " and resid 30 and name HA1 )) OR { 312} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 116 and name HA )) ASSI { 314} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 80 and name HB )) 1.900 0.500 0.500 peak 314 spectrum 1 weight 0.10000E+01 volume 0.15411E-01 ppm1 0.913 ppm2 2.153 CV 1 OR { 314} ( segid " " and resid 84 and name HG2%) (( segid " " and resid 84 and name HB )) OR { 314} ( segid " " and resid 118 and name HG1%) (( segid " " and resid 118 and name HB )) OR { 314} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 118 and name HB )) OR { 314} ( segid " " and resid 84 and name HG1%) (( segid " " and resid 84 and name HB )) OR { 314} ( segid " " and resid 84 and name HG2%) ( segid " " and resid 75 and name HE% ) OR { 314} ( segid " " and resid 77 and name HG1%) (( segid " " and resid 82 and name HG2 )) ASSI { 315} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 102 and name HB )) 2.300 0.700 0.700 peak 315 spectrum 1 weight 0.10000E+01 volume 0.56037E-02 ppm1 0.909 ppm2 1.938 CV 1 OR { 315} ( segid " " and resid 77 and name HG1%) (( segid " " and resid 77 and name HB )) OR { 315} ( segid " " and resid 77 and name HG2%) (( segid " " and resid 77 and name HB )) OR { 315} ( segid " " and resid 77 and name HG1%) (( segid " " and resid 82 and name HB1 )) ASSI { 317} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 105 and name HN )) 2.700 0.900 0.900 peak 317 spectrum 1 weight 0.10000E+01 volume 0.20546E-02 ppm1 0.882 ppm2 9.586 CV 1 OR { 317} ( segid " " and resid 77 and name HG1%) (( segid " " and resid 105 and name HN )) OR { 317} ( segid " " and resid 106 and name HG1%) (( segid " " and resid 134 and name HN )) OR { 317} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 84 and name HN )) OR { 317} ( segid " " and resid 106 and name HG1%) (( segid " " and resid 105 and name HN )) ASSI { 318} (( segid " " and resid 7 and name HB2 )) (( segid " " and resid 7 and name HN )) 2.700 0.900 0.900 peak 318 spectrum 1 weight 0.10000E+01 volume 0.22982E-02 ppm1 2.759 ppm2 8.437 CV 1 OR { 318} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 7 and name HN )) OR { 318} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 100 and name HN )) ASSI { 319} (( segid " " and resid 103 and name HA )) ( segid " " and resid 131 and name HD% ) 2.500 0.800 0.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.34011E-02 ppm1 4.478 ppm2 7.115 CV 1 OR { 319} (( segid " " and resid 41 and name HA )) ( segid " " and resid 42 and name HD% ) OR { 319} (( segid " " and resid 118 and name HA )) ( segid " " and resid 131 and name HD% ) ASSI { 321} ( segid " " and resid 120 and name HG1%) (( segid " " and resid 130 and name HB2 )) 2.500 0.800 0.800 peak 321 spectrum 1 weight 0.10000E+01 volume 0.32963E-02 ppm1 0.872 ppm2 2.551 CV 1 OR { 321} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 78 and name HB1 )) OR { 321} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 79 and name HB2 )) OR { 321} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 31 and name HB1 )) OR { 321} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 105 and name HB2 )) ASSI { 323} (( segid " " and resid 33 and name HA )) (( segid " " and resid 32 and name HB1 )) 2.700 0.900 0.900 peak 323 spectrum 1 weight 0.10000E+01 volume 0.23133E-02 ppm1 4.485 ppm2 3.706 CV 1 OR { 323} (( segid " " and resid 103 and name HA )) (( segid " " and resid 104 and name HB1 )) OR { 323} (( segid " " and resid 103 and name HA )) (( segid " " and resid 101 and name HB2 )) OR { 323} (( segid " " and resid 80 and name HA )) (( segid " " and resid 104 and name HB2 )) OR { 323} (( segid " " and resid 103 and name HA )) (( segid " " and resid 104 and name HB2 )) OR { 323} (( segid " " and resid 41 and name HA )) (( segid " " and resid 32 and name HB1 )) OR { 323} (( segid " " and resid 118 and name HA )) (( segid " " and resid 132 and name HB1 )) OR { 323} (( segid " " and resid 103 and name HA )) (( segid " " and resid 132 and name HB1 )) OR { 323} (( segid " " and resid 118 and name HA )) (( segid " " and resid 120 and name HA )) OR { 323} (( segid " " and resid 80 and name HA )) (( segid " " and resid 104 and name HB1 )) ASSI { 324} (( segid " " and resid 103 and name HA )) (( segid " " and resid 131 and name HB1 )) 2.700 0.900 0.900 peak 324 spectrum 1 weight 0.10000E+01 volume 0.21207E-02 ppm1 4.499 ppm2 2.951 CV 1 OR { 324} (( segid " " and resid 41 and name HA )) (( segid " " and resid 42 and name HB2 )) OR { 324} (( segid " " and resid 118 and name HA )) (( segid " " and resid 119 and name HB2 )) OR { 324} (( segid " " and resid 118 and name HA )) (( segid " " and resid 131 and name HB1 )) OR { 324} (( segid " " and resid 41 and name HA )) (( segid " " and resid 60 and name HB2 )) OR { 324} (( segid " " and resid 41 and name HA )) (( segid " " and resid 42 and name HB1 )) OR { 324} (( segid " " and resid 80 and name HA )) (( segid " " and resid 78 and name HB2 )) OR { 324} (( segid " " and resid 16 and name HA )) (( segid " " and resid 18 and name HB2 )) OR { 324} (( segid " " and resid 33 and name HA )) (( segid " " and resid 119 and name HB2 )) ASSI { 326} (( segid " " and resid 80 and name HA )) ( segid " " and resid 80 and name HG2%) 2.500 0.800 0.800 peak 326 spectrum 1 weight 0.10000E+01 volume 0.30503E-02 ppm1 4.497 ppm2 0.874 CV 1 OR { 326} (( segid " " and resid 33 and name HA )) ( segid " " and resid 33 and name HG2%) OR { 326} (( segid " " and resid 80 and name HA )) ( segid " " and resid 80 and name HG1%) ASSI { 327} (( segid " " and resid 16 and name HA )) ( segid " " and resid 16 and name HG2%) 2.400 0.700 0.700 peak 327 spectrum 1 weight 0.10000E+01 volume 0.38440E-02 ppm1 4.496 ppm2 1.216 CV 1 OR { 327} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HG11)) OR { 327} (( segid " " and resid 80 and name HA )) ( segid " " and resid 138 and name HB% ) ASSI { 334} (( segid " " and resid 80 and name HN )) (( segid " " and resid 76 and name HB2 )) 2.700 2.700 3.300 peak 334 spectrum 1 weight 0.10000E+01 volume 0.22399E-02 ppm1 7.540 ppm2 3.187 CV 1 OR { 334} (( segid " " and resid 80 and name HN )) (( segid " " and resid 107 and name HB1 )) ASSI { 341} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HN )) 2.500 0.800 0.800 peak 341 spectrum 1 weight 0.10000E+01 volume 0.33246E-02 ppm1 4.358 ppm2 7.998 CV 1 OR { 341} (( segid " " and resid 126 and name HA )) (( segid " " and resid 127 and name HN )) ASSI { 342} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 82 and name HE21)) 2.700 0.900 0.900 peak 342 spectrum 1 weight 0.10000E+01 volume 0.20093E-02 ppm1 0.876 ppm2 6.620 CV 1 OR { 342} ( segid " " and resid 102 and name HG2%) ( segid " " and resid 130 and name HE% ) OR { 342} ( segid " " and resid 77 and name HG1%) (( segid " " and resid 82 and name HE21)) ASSI { 344} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 16 and name HB )) 2.000 0.500 0.500 peak 344 spectrum 1 weight 0.10000E+01 volume 0.12851E-01 ppm1 1.152 ppm2 4.371 CV 1 OR { 344} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 126 and name HA )) ASSI { 347} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 105 and name HN )) 2.500 0.800 0.800 peak 347 spectrum 1 weight 0.10000E+01 volume 0.32635E-02 ppm1 0.997 ppm2 9.616 CV 1 OR { 347} ( segid " " and resid 84 and name HG2%) (( segid " " and resid 84 and name HN )) ASSI { 348} ( segid " " and resid 84 and name HG2%) (( segid " " and resid 102 and name HA )) 2.600 0.900 0.900 peak 348 spectrum 1 weight 0.10000E+01 volume 0.23590E-02 ppm1 0.993 ppm2 4.707 CV 1 OR { 348} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 68 and name HA2 )) OR { 348} ( segid " " and resid 84 and name HG1%) (( segid " " and resid 102 and name HA )) ASSI { 349} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 132 and name HN )) 2.700 0.900 0.900 peak 349 spectrum 1 weight 0.10000E+01 volume 0.20190E-02 ppm1 0.996 ppm2 9.272 CV 1 OR { 349} ( segid " " and resid 84 and name HG2%) (( segid " " and resid 103 and name HN )) OR { 349} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 82 and name HN )) OR { 349} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 67 and name HN )) OR { 349} ( segid " " and resid 84 and name HG1%) (( segid " " and resid 102 and name HN )) OR { 349} ( segid " " and resid 84 and name HG1%) (( segid " " and resid 103 and name HN )) OR { 349} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 102 and name HN )) OR { 349} ( segid " " and resid 84 and name HG2%) (( segid " " and resid 102 and name HN )) OR { 349} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 135 and name HN )) ASSI { 350} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 77 and name HN )) 2.500 2.500 3.500 peak 350 spectrum 1 weight 0.10000E+01 volume 0.36295E-02 ppm1 0.852 ppm2 8.579 CV 1 OR { 350} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 34 and name HN )) OR { 350} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 77 and name HN )) OR { 350} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 4 and name HN )) ASSI { 352} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 13 and name HD21)) 2.400 2.400 3.600 peak 352 spectrum 1 weight 0.10000E+01 volume 0.37956E-02 ppm1 0.852 ppm2 7.273 CV 1 OR { 352} ( segid " " and resid 33 and name HG2%) ( segid " " and resid 31 and name HD% ) OR { 352} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 10 and name HE21)) OR { 352} ( segid " " and resid 33 and name HG2%) ( segid " " and resid 99 and name HD% ) ASSI { 353} ( segid " " and resid 33 and name HG2%) ( segid " " and resid 131 and name HD% ) 2.300 0.700 0.700 peak 353 spectrum 1 weight 0.10000E+01 volume 0.53450E-02 ppm1 0.853 ppm2 7.093 CV 1 OR { 353} ( segid " " and resid 120 and name HG1%) ( segid " " and resid 130 and name HD% ) ASSI { 356} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 12 and name HB )) 2.600 0.900 0.900 peak 356 spectrum 1 weight 0.10000E+01 volume 0.23363E-02 ppm1 0.948 ppm2 3.767 CV 1 OR { 356} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 104 and name HB1 )) ASSI { 357} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 26 and name HE2 )) 2.700 2.700 3.300 peak 357 spectrum 1 weight 0.10000E+01 volume 0.22833E-02 ppm1 1.753 ppm2 3.113 CV 1 OR { 357} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 26 and name HE1 )) OR { 357} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 23 and name HB1 )) OR { 357} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 114 and name HB1 )) OR { 357} (( segid " " and resid 25 and name HB1 )) (( segid " " and resid 133 and name HB1 )) ASSI { 358} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 118 and name HB )) 2.000 0.500 0.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.12447E-01 ppm1 0.997 ppm2 2.237 CV 1 OR { 358} ( segid " " and resid 84 and name HG2%) ( segid " " and resid 75 and name HE% ) ASSI { 359} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 80 and name HB )) 2.800 1.000 0.500 peak 359 spectrum 1 weight 0.10000E+01 volume 0.16564E-01 ppm1 0.998 ppm2 2.151 CV 1 OR { 359} ( segid " " and resid 84 and name HG2%) (( segid " " and resid 84 and name HB )) OR { 359} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 118 and name HB )) OR { 359} ( segid " " and resid 84 and name HG1%) (( segid " " and resid 84 and name HB )) OR { 359} ( segid " " and resid 84 and name HG2%) ( segid " " and resid 75 and name HE% ) ASSI { 360} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 116 and name HE1 )) 2.800 0.800 1.000 peak 360 spectrum 1 weight 0.10000E+01 volume 0.26883E-02 ppm1 0.949 ppm2 3.147 CV 1 OR { 360} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 116 and name HE2 )) OR { 360} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 107 and name HB1 )) OR { 360} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 133 and name HB1 )) ASSI { 361} ( segid " " and resid 106 and name HG1%) (( segid " " and resid 107 and name HB1 )) 2.500 0.800 0.800 peak 361 spectrum 1 weight 0.10000E+01 volume 0.32748E-02 ppm1 0.854 ppm2 3.140 CV 1 OR { 361} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 119 and name HB1 )) OR { 361} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 107 and name HB1 )) OR { 361} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 133 and name HB1 )) OR { 361} ( segid " " and resid 120 and name HG1%) (( segid " " and resid 119 and name HB1 )) OR { 361} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 133 and name HB1 )) OR { 361} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 76 and name HB2 )) OR { 361} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 107 and name HB1 )) OR { 361} ( segid " " and resid 106 and name HG1%) (( segid " " and resid 133 and name HB1 )) OR { 361} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 76 and name HB2 )) ASSI { 362} ( segid " " and resid 120 and name HG1%) (( segid " " and resid 130 and name HB1 )) 2.600 0.800 0.800 peak 362 spectrum 1 weight 0.10000E+01 volume 0.26233E-02 ppm1 0.855 ppm2 2.772 CV 1 OR { 362} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 105 and name HB1 )) ASSI { 374} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 82 and name HN )) 2.500 2.500 3.500 peak 374 spectrum 1 weight 0.10000E+01 volume 0.31784E-02 ppm1 0.915 ppm2 9.396 CV 1 OR { 374} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 20 and name HN )) OR { 374} ( segid " " and resid 84 and name HG2%) (( segid " " and resid 82 and name HN )) OR { 374} ( segid " " and resid 84 and name HG1%) (( segid " " and resid 129 and name HN )) OR { 374} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 44 and name HN )) ASSI { 375} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 29 and name HN )) 2.600 0.800 0.800 peak 375 spectrum 1 weight 0.10000E+01 volume 0.26657E-02 ppm1 2.693 ppm2 8.418 CV 1 OR { 375} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 110 and name HN )) ASSI { 376} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 81 and name HN )) 2.800 0.500 0.800 peak 376 spectrum 1 weight 0.10000E+01 volume 0.95301E-02 ppm1 0.927 ppm2 8.407 CV 1 OR { 376} ( segid " " and resid 84 and name HG1%) (( segid " " and resid 86 and name HN )) ASSI { 377} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 19 and name HN )) 2.700 0.900 0.900 peak 377 spectrum 1 weight 0.10000E+01 volume 0.21973E-02 ppm1 0.913 ppm2 7.833 CV 1 OR { 377} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 15 and name HN )) ASSI { 378} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 82 and name HE22)) 2.700 0.900 0.900 peak 378 spectrum 1 weight 0.10000E+01 volume 0.21091E-02 ppm1 0.927 ppm2 6.739 CV 1 OR { 378} ( segid " " and resid 80 and name HG1%) ( segid " " and resid 105 and name HD% ) OR { 378} ( segid " " and resid 33 and name HG2%) ( segid " " and resid 119 and name HD% ) OR { 378} ( segid " " and resid 106 and name HG1%) (( segid " " and resid 108 and name HN )) ASSI { 379} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 105 and name HB2 )) 2.600 0.800 0.800 peak 379 spectrum 1 weight 0.10000E+01 volume 0.26061E-02 ppm1 0.919 ppm2 2.449 CV 1 OR { 379} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 13 and name HB2 )) OR { 379} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 31 and name HB1 )) ASSI { 380} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 13 and name HB2 )) 2.700 0.900 0.900 peak 380 spectrum 1 weight 0.10000E+01 volume 0.21553E-02 ppm1 0.931 ppm2 2.401 CV 1 OR { 380} ( segid " " and resid 106 and name HG1%) (( segid " " and resid 79 and name HB1 )) OR { 380} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 14 and name HB1 )) OR { 380} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 133 and name HB2 )) OR { 380} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 79 and name HB1 )) OR { 380} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 133 and name HB2 )) OR { 380} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 133 and name HB2 )) OR { 380} ( segid " " and resid 84 and name HG1%) (( segid " " and resid 73 and name HG1 )) OR { 380} ( segid " " and resid 84 and name HG2%) (( segid " " and resid 73 and name HG1 )) OR { 380} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 129 and name HB1 )) OR { 380} ( segid " " and resid 84 and name HG2%) (( segid " " and resid 73 and name HG2 )) OR { 380} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 79 and name HG2 )) OR { 380} ( segid " " and resid 84 and name HG1%) (( segid " " and resid 73 and name HG2 )) OR { 380} ( segid " " and resid 106 and name HG1%) (( segid " " and resid 133 and name HB2 )) OR { 380} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 79 and name HG1 )) ASSI { 396} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 31 and name HD% ) 2.700 2.700 3.300 peak 396 spectrum 1 weight 0.10000E+01 volume 0.22031E-02 ppm1 1.045 ppm2 7.274 CV 1 OR { 396} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 99 and name HD% ) OR { 396} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 23 and name HD21)) ASSI { 397} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 131 and name HD% ) 2.200 2.200 3.800 peak 397 spectrum 1 weight 0.10000E+01 volume 0.67279E-02 ppm1 1.044 ppm2 7.057 CV 1 OR { 397} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 70 and name HN )) ASSI { 398} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 43 and name HA )) 2.300 0.700 0.700 peak 398 spectrum 1 weight 0.10000E+01 volume 0.56625E-02 ppm1 1.042 ppm2 5.480 CV 1 OR { 398} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HA )) ASSI { 401} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 33 and name HA )) 2.000 0.500 0.500 peak 401 spectrum 1 weight 0.10000E+01 volume 0.11388E-01 ppm1 0.912 ppm2 4.359 CV 1 OR { 401} ( segid " " and resid 106 and name HG1%) (( segid " " and resid 106 and name HA )) OR { 401} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 19 and name HA )) ASSI { 402} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 17 and name HA2 )) 2.300 0.700 0.700 peak 402 spectrum 1 weight 0.10000E+01 volume 0.50423E-02 ppm1 0.911 ppm2 4.252 CV 1 OR { 402} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 117 and name HA )) OR { 402} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 117 and name HA )) OR { 402} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 14 and name HD2 )) ASSI { 413} (( segid " " and resid 100 and name HE2 )) (( segid " " and resid 100 and name HB2 )) 2.400 0.700 0.700 peak 413 spectrum 1 weight 0.10000E+01 volume 0.43744E-02 ppm1 2.973 ppm2 1.973 CV 1 OR { 413} (( segid " " and resid 100 and name HE1 )) (( segid " " and resid 100 and name HB2 )) OR { 413} (( segid " " and resid 100 and name HE2 )) (( segid " " and resid 100 and name HB1 )) OR { 413} (( segid " " and resid 100 and name HE1 )) (( segid " " and resid 100 and name HB1 )) OR { 413} (( segid " " and resid 98 and name HE1 )) (( segid " " and resid 98 and name HB2 )) OR { 413} (( segid " " and resid 98 and name HE2 )) (( segid " " and resid 98 and name HB2 )) ASSI { 414} (( segid " " and resid 38 and name HE1 )) (( segid " " and resid 38 and name HB2 )) 2.500 0.800 0.800 peak 414 spectrum 1 weight 0.10000E+01 volume 0.32492E-02 ppm1 2.929 ppm2 1.812 CV 1 OR { 414} (( segid " " and resid 38 and name HE2 )) (( segid " " and resid 38 and name HB2 )) OR { 414} (( segid " " and resid 38 and name HE1 )) (( segid " " and resid 38 and name HB1 )) OR { 414} (( segid " " and resid 38 and name HE2 )) (( segid " " and resid 37 and name HB2 )) OR { 414} (( segid " " and resid 38 and name HE2 )) (( segid " " and resid 38 and name HB1 )) OR { 414} (( segid " " and resid 38 and name HE1 )) (( segid " " and resid 37 and name HB2 )) OR { 414} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 45 and name HG11)) OR { 414} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 51 and name HB1 )) ASSI { 416} (( segid " " and resid 38 and name HE2 )) (( segid " " and resid 38 and name HD1 )) 2.200 0.600 0.600 peak 416 spectrum 1 weight 0.10000E+01 volume 0.74183E-02 ppm1 2.971 ppm2 1.681 CV 1 OR { 416} (( segid " " and resid 100 and name HE1 )) (( segid " " and resid 100 and name HD1 )) OR { 416} (( segid " " and resid 98 and name HE2 )) (( segid " " and resid 98 and name HD1 )) OR { 416} (( segid " " and resid 38 and name HE1 )) (( segid " " and resid 38 and name HD2 )) OR { 416} (( segid " " and resid 98 and name HE1 )) (( segid " " and resid 98 and name HD2 )) OR { 416} (( segid " " and resid 100 and name HE2 )) (( segid " " and resid 100 and name HD1 )) OR { 416} (( segid " " and resid 98 and name HE1 )) (( segid " " and resid 98 and name HD1 )) OR { 416} (( segid " " and resid 98 and name HE2 )) (( segid " " and resid 98 and name HD2 )) OR { 416} (( segid " " and resid 38 and name HE1 )) (( segid " " and resid 38 and name HD1 )) OR { 416} (( segid " " and resid 38 and name HE2 )) (( segid " " and resid 38 and name HD2 )) OR { 416} (( segid " " and resid 141 and name HE1 )) (( segid " " and resid 141 and name HD2 )) OR { 416} (( segid " " and resid 141 and name HE2 )) (( segid " " and resid 141 and name HD1 )) ASSI { 419} (( segid " " and resid 38 and name HE1 )) (( segid " " and resid 38 and name HG1 )) 2.600 0.900 0.900 peak 419 spectrum 1 weight 0.10000E+01 volume 0.23724E-02 ppm1 2.971 ppm2 1.329 CV 1 OR { 419} (( segid " " and resid 38 and name HE2 )) (( segid " " and resid 38 and name HG2 )) OR { 419} (( segid " " and resid 38 and name HE1 )) (( segid " " and resid 38 and name HG2 )) OR { 419} (( segid " " and resid 98 and name HE2 )) (( segid " " and resid 98 and name HG1 )) OR { 419} (( segid " " and resid 38 and name HE2 )) (( segid " " and resid 38 and name HG1 )) OR { 419} (( segid " " and resid 98 and name HE1 )) (( segid " " and resid 98 and name HG2 )) OR { 419} (( segid " " and resid 98 and name HE2 )) (( segid " " and resid 98 and name HG2 )) OR { 419} (( segid " " and resid 100 and name HE2 )) (( segid " " and resid 100 and name HG2 )) OR { 419} (( segid " " and resid 100 and name HE1 )) (( segid " " and resid 100 and name HG2 )) ASSI { 420} (( segid " " and resid 100 and name HE1 )) ( segid " " and resid 84 and name HG1%) 2.500 0.800 0.800 peak 420 spectrum 1 weight 0.10000E+01 volume 0.32355E-02 ppm1 2.965 ppm2 0.942 CV 1 OR { 420} (( segid " " and resid 100 and name HE2 )) ( segid " " and resid 84 and name HG1%) OR { 420} (( segid " " and resid 100 and name HE1 )) ( segid " " and resid 84 and name HG2%) OR { 420} (( segid " " and resid 100 and name HE1 )) ( segid " " and resid 102 and name HG2%) OR { 420} (( segid " " and resid 100 and name HE2 )) ( segid " " and resid 102 and name HG2%) OR { 420} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 45 and name HD1%) ASSI { 421} (( segid " " and resid 100 and name HE1 )) ( segid " " and resid 84 and name HG1%) 2.400 0.700 0.700 peak 421 spectrum 1 weight 0.10000E+01 volume 0.44307E-02 ppm1 2.944 ppm2 0.927 CV 1 OR { 421} (( segid " " and resid 100 and name HE2 )) ( segid " " and resid 84 and name HG1%) OR { 421} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 122 and name HD2%) OR { 421} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 122 and name HD1%) OR { 421} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 33 and name HG2%) OR { 421} (( segid " " and resid 100 and name HE1 )) ( segid " " and resid 84 and name HG2%) OR { 421} (( segid " " and resid 100 and name HE1 )) ( segid " " and resid 102 and name HG2%) OR { 421} (( segid " " and resid 100 and name HE2 )) ( segid " " and resid 102 and name HG2%) OR { 421} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 45 and name HD1%) ASSI { 422} (( segid " " and resid 100 and name HE1 )) ( segid " " and resid 102 and name HG1%) 2.500 0.800 0.800 peak 422 spectrum 1 weight 0.10000E+01 volume 0.29418E-02 ppm1 2.976 ppm2 0.797 CV 1 OR { 422} (( segid " " and resid 100 and name HE2 )) ( segid " " and resid 102 and name HG1%) OR { 422} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 33 and name HG2%) OR { 422} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 45 and name HD1%) OR { 422} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 40 and name HD1%) OR { 422} (( segid " " and resid 26 and name HE2 )) ( segid " " and resid 45 and name HG2%) OR { 422} (( segid " " and resid 26 and name HE1 )) ( segid " " and resid 45 and name HG2%) OR { 422} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 45 and name HG2%) OR { 422} (( segid " " and resid 26 and name HE2 )) ( segid " " and resid 137 and name HD2%) OR { 422} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 41 and name HG2%) OR { 422} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 40 and name HD2%) ASSI { 423} (( segid " " and resid 100 and name HE1 )) ( segid " " and resid 102 and name HG1%) 2.900 1.100 1.100 peak 423 spectrum 1 weight 0.10000E+01 volume 0.32622E-02 ppm1 2.945 ppm2 0.796 CV 1 OR { 423} (( segid " " and resid 100 and name HE2 )) ( segid " " and resid 102 and name HG1%) OR { 423} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 33 and name HG2%) OR { 423} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 102 and name HG1%) OR { 423} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 45 and name HD1%) ASSI { 424} (( segid " " and resid 100 and name HE2 )) ( segid " " and resid 128 and name HG2%) 2.600 0.900 0.900 peak 424 spectrum 1 weight 0.10000E+01 volume 0.25513E-02 ppm1 2.942 ppm2 0.523 CV 1 OR { 424} (( segid " " and resid 100 and name HE1 )) ( segid " " and resid 128 and name HG2%) OR { 424} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 128 and name HG2%) ASSI { 426} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 43 and name HG11)) 2.600 0.900 0.900 peak 426 spectrum 1 weight 0.10000E+01 volume 0.23285E-02 ppm1 1.045 ppm2 1.499 CV 1 OR { 426} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 137 and name HB1 )) OR { 426} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 43 and name HB )) OR { 426} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 129 and name HB2 )) ASSI { 428} (( segid " " and resid 116 and name HE1 )) (( segid " " and resid 116 and name HD2 )) 1.800 0.400 0.400 peak 428 spectrum 1 weight 0.10000E+01 volume 0.23096E-01 ppm1 3.128 ppm2 1.850 CV 1 OR { 428} (( segid " " and resid 124 and name HE2 )) (( segid " " and resid 124 and name HD2 )) OR { 428} (( segid " " and resid 124 and name HE1 )) (( segid " " and resid 124 and name HD1 )) OR { 428} (( segid " " and resid 116 and name HE2 )) (( segid " " and resid 116 and name HD1 )) OR { 428} (( segid " " and resid 116 and name HE2 )) (( segid " " and resid 116 and name HD2 )) OR { 428} (( segid " " and resid 116 and name HE1 )) (( segid " " and resid 116 and name HD1 )) OR { 428} (( segid " " and resid 124 and name HE1 )) (( segid " " and resid 124 and name HD2 )) OR { 428} (( segid " " and resid 124 and name HE2 )) (( segid " " and resid 124 and name HD1 )) ASSI { 429} (( segid " " and resid 26 and name HE1 )) (( segid " " and resid 26 and name HB2 )) 2.100 0.600 0.600 peak 429 spectrum 1 weight 0.10000E+01 volume 0.85334E-02 ppm1 3.129 ppm2 1.735 CV 1 OR { 429} (( segid " " and resid 124 and name HE2 )) (( segid " " and resid 124 and name HG1 )) OR { 429} (( segid " " and resid 26 and name HE2 )) (( segid " " and resid 26 and name HB2 )) OR { 429} (( segid " " and resid 116 and name HE2 )) (( segid " " and resid 116 and name HB1 )) OR { 429} (( segid " " and resid 124 and name HE1 )) (( segid " " and resid 124 and name HG1 )) OR { 429} (( segid " " and resid 99 and name HB2 )) ( segid " " and resid 89 and name HB% ) ASSI { 430} (( segid " " and resid 124 and name HE1 )) (( segid " " and resid 124 and name HG2 )) 2.100 0.600 0.600 peak 430 spectrum 1 weight 0.10000E+01 volume 0.85427E-02 ppm1 3.126 ppm2 1.556 CV 1 OR { 430} (( segid " " and resid 116 and name HE2 )) (( segid " " and resid 116 and name HB2 )) OR { 430} (( segid " " and resid 124 and name HE2 )) (( segid " " and resid 124 and name HG2 )) ASSI { 431} (( segid " " and resid 116 and name HE1 )) ( segid " " and resid 118 and name HG2%) 2.200 0.600 0.600 peak 431 spectrum 1 weight 0.10000E+01 volume 0.63550E-02 ppm1 3.130 ppm2 0.983 CV 1 OR { 431} (( segid " " and resid 124 and name HE1 )) ( segid " " and resid 122 and name HD1%) OR { 431} (( segid " " and resid 124 and name HE2 )) ( segid " " and resid 122 and name HD1%) OR { 431} (( segid " " and resid 116 and name HE2 )) ( segid " " and resid 118 and name HG2%) OR { 431} (( segid " " and resid 116 and name HE1 )) ( segid " " and resid 118 and name HG1%) ASSI { 433} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 139 and name HB1 )) 2.400 2.400 3.600 peak 433 spectrum 1 weight 0.10000E+01 volume 0.40681E-02 ppm1 0.902 ppm2 3.366 CV 1 OR { 433} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 134 and name HB1 )) ASSI { 434} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 53 and name HG2 )) 2.700 0.900 0.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.20312E-02 ppm1 0.901 ppm2 2.112 CV 1 OR { 434} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 136 and name HB2 )) OR { 434} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 136 and name HG2 )) ASSI { 435} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 53 and name HG2 )) 2.600 0.900 0.900 peak 435 spectrum 1 weight 0.10000E+01 volume 0.24459E-02 ppm1 0.961 ppm2 2.083 CV 1 OR { 435} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 136 and name HB2 )) ASSI { 436} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 129 and name HG )) 1.900 1.900 4.100 peak 436 spectrum 1 weight 0.10000E+01 volume 0.18391E-01 ppm1 0.961 ppm2 1.632 CV 1 OR { 436} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 41 and name HB )) ASSI { 442} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 66 and name HA )) 2.700 0.900 0.900 peak 442 spectrum 1 weight 0.10000E+01 volume 0.22930E-02 ppm1 0.902 ppm2 4.549 CV 1 OR { 442} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 66 and name HA )) OR { 442} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 113 and name HA )) OR { 442} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 69 and name HA )) OR { 442} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 41 and name HA )) OR { 442} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 53 and name HA )) OR { 442} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 42 and name HA )) ASSI { 443} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 129 and name HB1 )) 2.500 0.800 0.800 peak 443 spectrum 1 weight 0.10000E+01 volume 0.36939E-02 ppm1 0.901 ppm2 2.328 CV 1 OR { 443} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 53 and name HG1 )) OR { 443} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 70 and name HB2 )) ASSI { 445} ( segid " " and resid 33 and name HG1%) (( segid " " and resid 41 and name HB )) 2.400 0.700 0.700 peak 445 spectrum 1 weight 0.10000E+01 volume 0.40663E-02 ppm1 1.061 ppm2 1.526 CV 1 OR { 445} ( segid " " and resid 33 and name HG1%) ( segid " " and resid 34 and name HB% ) ASSI { 446} ( segid " " and resid 33 and name HG1%) (( segid " " and resid 41 and name HG11)) 2.200 2.200 3.800 peak 446 spectrum 1 weight 0.10000E+01 volume 0.63442E-02 ppm1 1.057 ppm2 1.441 CV 1 OR { 446} ( segid " " and resid 33 and name HG1%) (( segid " " and resid 40 and name HB2 )) OR { 446} ( segid " " and resid 33 and name HG1%) (( segid " " and resid 43 and name HG11)) ASSI { 447} ( segid " " and resid 33 and name HG1%) (( segid " " and resid 41 and name HG11)) 2.400 0.700 0.700 peak 447 spectrum 1 weight 0.10000E+01 volume 0.43150E-02 ppm1 1.059 ppm2 1.363 CV 1 OR { 447} ( segid " " and resid 33 and name HG1%) (( segid " " and resid 40 and name HB2 )) OR { 447} ( segid " " and resid 33 and name HG1%) (( segid " " and resid 117 and name HB2 )) ASSI { 452} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 59 and name HN )) 2.400 0.700 0.700 peak 452 spectrum 1 weight 0.10000E+01 volume 0.41323E-02 ppm1 0.904 ppm2 9.200 CV 1 OR { 452} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 67 and name HN )) ASSI { 453} ( segid " " and resid 58 and name HG1%) ( segid " " and resid 99 and name HD% ) 2.500 2.500 3.500 peak 453 spectrum 1 weight 0.10000E+01 volume 0.33302E-02 ppm1 0.906 ppm2 7.287 CV 1 OR { 453} ( segid " " and resid 58 and name HG1%) ( segid " " and resid 31 and name HD% ) OR { 453} ( segid " " and resid 97 and name HD1%) ( segid " " and resid 99 and name HD% ) OR { 453} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 23 and name HD21)) OR { 453} ( segid " " and resid 56 and name HG2%) ( segid " " and resid 99 and name HD% ) ASSI { 454} ( segid " " and resid 97 and name HD1%) (( segid " " and resid 126 and name HN )) 2.400 2.400 3.600 peak 454 spectrum 1 weight 0.10000E+01 volume 0.44355E-02 ppm1 0.906 ppm2 7.120 CV 1 OR { 454} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 70 and name HN )) OR { 454} ( segid " " and resid 58 and name HG1%) ( segid " " and resid 131 and name HD% ) OR { 454} ( segid " " and resid 58 and name HG1%) ( segid " " and resid 42 and name HD% ) ASSI { 455} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 58 and name HA )) 2.400 0.700 0.700 peak 455 spectrum 1 weight 0.10000E+01 volume 0.42179E-02 ppm1 0.903 ppm2 5.486 CV 1 OR { 455} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 43 and name HA )) ASSI { 457} (( segid " " and resid 139 and name HB2 )) ( segid " " and resid 138 and name HB% ) 2.200 2.200 3.800 peak 457 spectrum 1 weight 0.10000E+01 volume 0.67746E-02 ppm1 3.038 ppm2 1.265 CV 1 OR { 457} (( segid " " and resid 26 and name HE2 )) (( segid " " and resid 25 and name HG )) OR { 457} (( segid " " and resid 26 and name HE2 )) (( segid " " and resid 22 and name HB1 )) OR { 457} (( segid " " and resid 26 and name HE1 )) (( segid " " and resid 25 and name HG )) OR { 457} (( segid " " and resid 26 and name HE1 )) (( segid " " and resid 22 and name HB1 )) OR { 457} (( segid " " and resid 26 and name HE2 )) ( segid " " and resid 83 and name HD1%) ASSI { 478} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 137 and name HA )) 2.800 0.900 1.000 peak 478 spectrum 1 weight 0.10000E+01 volume 0.23370E-02 ppm1 -0.013 ppm2 4.274 CV 1 OR { 478} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 135 and name HB )) ASSI { 479} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 81 and name HB1 )) 2.500 0.800 0.800 peak 479 spectrum 1 weight 0.10000E+01 volume 0.31007E-02 ppm1 -0.018 ppm2 1.709 CV 1 OR { 479} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 83 and name HG )) ASSI { 485} ( segid " " and resid 97 and name HD1%) (( segid " " and resid 98 and name HB1 )) 1.900 1.900 4.100 peak 485 spectrum 1 weight 0.10000E+01 volume 0.17188E-01 ppm1 0.897 ppm2 1.582 CV 1 OR { 485} ( segid " " and resid 97 and name HD1%) (( segid " " and resid 98 and name HD1 )) OR { 485} ( segid " " and resid 97 and name HD1%) (( segid " " and resid 98 and name HD2 )) OR { 485} ( segid " " and resid 97 and name HD1%) (( segid " " and resid 100 and name HG1 )) OR { 485} ( segid " " and resid 97 and name HD1%) (( segid " " and resid 124 and name HG2 )) OR { 485} ( segid " " and resid 97 and name HD1%) (( segid " " and resid 122 and name HG )) ASSI { 493} ( segid " " and resid 81 and name HD1%) (( segid " " and resid 82 and name HN )) 2.400 2.400 3.600 peak 493 spectrum 1 weight 0.10000E+01 volume 0.39444E-02 ppm1 0.171 ppm2 9.374 CV 1 OR { 493} ( segid " " and resid 81 and name HD1%) (( segid " " and resid 20 and name HN )) ASSI { 497} ( segid " " and resid 11 and name HG1%) (( segid " " and resid 75 and name HA )) 2.300 0.700 0.700 peak 497 spectrum 1 weight 0.10000E+01 volume 0.56953E-02 ppm1 1.378 ppm2 5.023 CV 1 OR { 497} ( segid " " and resid 11 and name HG1%) (( segid " " and resid 21 and name HA )) ASSI { 501} ( segid " " and resid 11 and name HG1%) (( segid " " and resid 12 and name HB )) 2.700 2.700 3.300 peak 501 spectrum 1 weight 0.10000E+01 volume 0.21880E-02 ppm1 1.378 ppm2 3.784 CV 1 OR { 501} ( segid " " and resid 11 and name HG1%) (( segid " " and resid 140 and name HA )) ASSI { 503} ( segid " " and resid 81 and name HD1%) (( segid " " and resid 20 and name HB2 )) 2.600 0.800 0.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.27979E-02 ppm1 0.167 ppm2 2.704 CV 1 OR { 503} ( segid " " and resid 81 and name HD1%) (( segid " " and resid 76 and name HB1 )) ASSI { 507} ( segid " " and resid 81 and name HD1%) (( segid " " and resid 81 and name HG )) 2.700 0.900 0.800 peak 507 spectrum 1 weight 0.10000E+01 volume 0.12316E-01 ppm1 0.169 ppm2 1.409 CV 1 OR { 507} ( segid " " and resid 81 and name HD1%) ( segid " " and resid 11 and name HG1%) ASSI { 509} ( segid " " and resid 81 and name HD1%) ( segid " " and resid 11 and name HG2%) 2.700 0.900 0.800 peak 509 spectrum 1 weight 0.10000E+01 volume 0.14218E-01 ppm1 0.171 ppm2 0.781 CV 1 OR { 509} ( segid " " and resid 81 and name HD1%) ( segid " " and resid 74 and name HD1%) OR { 509} ( segid " " and resid 81 and name HD1%) ( segid " " and resid 77 and name HG1%) OR { 509} ( segid " " and resid 81 and name HD1%) ( segid " " and resid 137 and name HD2%) ASSI { 518} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 9 and name HB1 )) 2.500 0.800 0.800 peak 518 spectrum 1 weight 0.10000E+01 volume 0.29822E-02 ppm1 3.916 ppm2 2.813 CV 1 OR { 518} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 70 and name HB1 )) OR { 518} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 7 and name HB1 )) OR { 518} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 70 and name HB1 )) OR { 518} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 86 and name HB2 )) OR { 518} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 86 and name HB1 )) OR { 518} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 7 and name HB2 )) ASSI { 519} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 73 and name HB2 )) 2.600 2.600 3.400 peak 519 spectrum 1 weight 0.10000E+01 volume 0.28734E-02 ppm1 4.238 ppm2 1.986 CV 1 OR { 519} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 10 and name HB1 )) OR { 519} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 10 and name HB2 )) ASSI { 520} (( segid " " and resid 21 and name HB1 )) ( segid " " and resid 19 and name HD1%) 2.700 0.900 0.900 peak 520 spectrum 1 weight 0.10000E+01 volume 0.22008E-02 ppm1 2.979 ppm2 0.782 CV 1 OR { 520} (( segid " " and resid 21 and name HB1 )) ( segid " " and resid 19 and name HD2%) OR { 520} (( segid " " and resid 21 and name HB1 )) ( segid " " and resid 137 and name HD2%) ASSI { 521} ( segid " " and resid 11 and name HG1%) (( segid " " and resid 19 and name HB2 )) 2.500 2.500 3.500 peak 521 spectrum 1 weight 0.10000E+01 volume 0.34521E-02 ppm1 1.383 ppm2 1.203 CV 1 OR { 521} ( segid " " and resid 11 and name HG1%) (( segid " " and resid 19 and name HG )) OR { 521} ( segid " " and resid 11 and name HG1%) ( segid " " and resid 138 and name HB% ) OR { 521} ( segid " " and resid 11 and name HG1%) ( segid " " and resid 83 and name HD2%) OR { 521} ( segid " " and resid 11 and name HG1%) (( segid " " and resid 22 and name HB1 )) ASSI { 532} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 69 and name HN )) 2.700 0.900 0.900 peak 532 spectrum 1 weight 0.10000E+01 volume 0.21078E-02 ppm1 3.972 ppm2 9.066 CV 1 OR { 532} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 72 and name HN )) ASSI { 535} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 8 and name HA )) 2.700 0.900 0.900 peak 535 spectrum 1 weight 0.10000E+01 volume 0.22930E-02 ppm1 3.910 ppm2 4.878 CV 1 OR { 535} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 70 and name HA )) OR { 535} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 7 and name HA )) OR { 535} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 70 and name HA )) ASSI { 538} (( segid " " and resid 43 and name HB )) ( segid " " and resid 43 and name HG2%) 2.300 0.700 0.700 peak 538 spectrum 1 weight 0.10000E+01 volume 0.56036E-02 ppm1 1.509 ppm2 0.699 CV 1 OR { 538} (( segid " " and resid 43 and name HB )) (( segid " " and resid 43 and name HG12)) OR { 538} (( segid " " and resid 19 and name HB1 )) ( segid " " and resid 19 and name HD2%) ASSI { 543} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HN )) 2.600 0.900 0.900 peak 543 spectrum 1 weight 0.10000E+01 volume 0.24656E-02 ppm1 3.880 ppm2 8.373 CV 1 OR { 543} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HN )) ASSI { 562} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 40 and name HN )) 2.300 2.300 3.700 peak 562 spectrum 1 weight 0.10000E+01 volume 0.55886E-02 ppm1 0.753 ppm2 8.393 CV 1 OR { 562} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 81 and name HN )) ASSI { 564} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 30 and name HN )) 2.700 0.900 0.900 peak 564 spectrum 1 weight 0.10000E+01 volume 0.21869E-02 ppm1 3.861 ppm2 8.131 CV 1 OR { 564} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 46 and name HN )) OR { 564} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 88 and name HN )) OR { 564} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 27 and name HN )) ASSI { 565} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 98 and name HN )) 2.700 0.900 0.900 peak 565 spectrum 1 weight 0.10000E+01 volume 0.22531E-02 ppm1 1.481 ppm2 8.089 CV 1 OR { 565} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 127 and name HN )) ASSI { 567} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 98 and name HN )) 2.600 0.900 0.900 peak 567 spectrum 1 weight 0.10000E+01 volume 0.23398E-02 ppm1 1.478 ppm2 8.007 CV 1 OR { 567} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 97 and name HN )) ASSI { 568} ( segid " " and resid 40 and name HD1%) ( segid " " and resid 42 and name HE% ) 2.600 0.800 0.800 peak 568 spectrum 1 weight 0.10000E+01 volume 0.27377E-02 ppm1 0.756 ppm2 6.770 CV 1 OR { 568} ( segid " " and resid 74 and name HD1%) ( segid " " and resid 105 and name HD% ) OR { 568} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 10 and name HE22)) ASSI { 569} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 111 and name HA )) 2.000 0.500 0.500 peak 569 spectrum 1 weight 0.10000E+01 volume 0.11253E-01 ppm1 3.977 ppm2 4.465 CV 1 OR { 569} (( segid " " and resid 93 and name HB1 )) (( segid " " and resid 93 and name HA )) OR { 569} (( segid " " and resid 93 and name HB2 )) (( segid " " and resid 93 and name HA )) ASSI { 585} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 74 and name HB2 )) 3.300 0.800 1.500 peak 585 spectrum 1 weight 0.10000E+01 volume 0.29096E-02 ppm1 3.961 ppm2 0.946 CV 1 OR { 585} (( segid " " and resid 69 and name HB1 )) ( segid " " and resid 56 and name HG2%) OR { 585} (( segid " " and resid 93 and name HB2 )) ( segid " " and resid 122 and name HD1%) OR { 585} (( segid " " and resid 69 and name HB2 )) ( segid " " and resid 56 and name HG2%) OR { 585} (( segid " " and resid 93 and name HB1 )) ( segid " " and resid 122 and name HD1%) OR { 585} (( segid " " and resid 93 and name HB2 )) ( segid " " and resid 122 and name HD2%) OR { 585} (( segid " " and resid 69 and name HB2 )) ( segid " " and resid 84 and name HG1%) OR { 585} (( segid " " and resid 111 and name HB2 )) ( segid " " and resid 137 and name HD1%) OR { 585} (( segid " " and resid 93 and name HB1 )) ( segid " " and resid 122 and name HD2%) OR { 585} (( segid " " and resid 72 and name HB1 )) ( segid " " and resid 45 and name HD1%) OR { 585} (( segid " " and resid 69 and name HB2 )) ( segid " " and resid 58 and name HG1%) OR { 585} (( segid " " and resid 69 and name HB1 )) ( segid " " and resid 84 and name HG1%) OR { 585} (( segid " " and resid 69 and name HB1 )) ( segid " " and resid 58 and name HG1%) OR { 585} (( segid " " and resid 93 and name HB2 )) ( segid " " and resid 97 and name HD1%) OR { 585} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 22 and name HG )) OR { 585} (( segid " " and resid 69 and name HB2 )) ( segid " " and resid 84 and name HG2%) OR { 585} (( segid " " and resid 69 and name HB2 )) ( segid " " and resid 45 and name HD1%) OR { 585} (( segid " " and resid 93 and name HB1 )) ( segid " " and resid 97 and name HD1%) OR { 585} (( segid " " and resid 69 and name HB2 )) ( segid " " and resid 102 and name HG2%) ASSI { 588} (( segid " " and resid 3 and name HB1 )) (( segid " " and resid 3 and name HA )) 2.300 0.700 0.700 peak 588 spectrum 1 weight 0.10000E+01 volume 0.56830E-02 ppm1 3.968 ppm2 4.570 CV 1 OR { 588} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 69 and name HA )) OR { 588} (( segid " " and resid 3 and name HB2 )) (( segid " " and resid 3 and name HA )) OR { 588} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 69 and name HA )) ASSI { 589} (( segid " " and resid 50 and name HG2 )) (( segid " " and resid 50 and name HE2 )) 2.700 0.900 0.900 peak 589 spectrum 1 weight 0.10000E+01 volume 0.21641E-02 ppm1 1.267 ppm2 2.938 CV 1 OR { 589} (( segid " " and resid 50 and name HG2 )) (( segid " " and resid 50 and name HE1 )) OR { 589} (( segid " " and resid 100 and name HG2 )) (( segid " " and resid 100 and name HE2 )) OR { 589} (( segid " " and resid 100 and name HG2 )) (( segid " " and resid 100 and name HE1 )) ASSI { 590} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 82 and name HB1 )) 2.600 2.600 3.400 peak 590 spectrum 1 weight 0.10000E+01 volume 0.23602E-02 ppm1 0.719 ppm2 1.889 CV 1 OR { 590} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 45 and name HG11)) OR { 590} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 77 and name HB )) OR { 590} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 62 and name HB1 )) OR { 590} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 58 and name HB )) OR { 590} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 38 and name HB2 )) ASSI { 591} (( segid " " and resid 50 and name HG1 )) (( segid " " and resid 51 and name HB2 )) 3.300 1.500 1.500 peak 591 spectrum 1 weight 0.10000E+01 volume 0.82182E-02 ppm1 1.433 ppm2 1.649 CV 1 OR { 591} (( segid " " and resid 94 and name HG2 )) (( segid " " and resid 124 and name HG1 )) OR { 591} (( segid " " and resid 141 and name HG1 )) (( segid " " and resid 140 and name HB2 )) OR { 591} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 140 and name HB2 )) OR { 591} (( segid " " and resid 94 and name HG1 )) (( segid " " and resid 124 and name HG1 )) ASSI { 594} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 141 and name HA )) 2.400 0.700 0.700 peak 594 spectrum 1 weight 0.10000E+01 volume 0.37342E-02 ppm1 1.427 ppm2 4.280 CV 1 OR { 594} (( segid " " and resid 141 and name HG1 )) (( segid " " and resid 141 and name HA )) OR { 594} (( segid " " and resid 26 and name HG1 )) (( segid " " and resid 23 and name HA )) OR { 594} (( segid " " and resid 50 and name HG1 )) (( segid " " and resid 50 and name HA )) OR { 594} (( segid " " and resid 26 and name HG2 )) (( segid " " and resid 23 and name HA )) OR { 594} (( segid " " and resid 26 and name HG1 )) (( segid " " and resid 24 and name HA )) ASSI { 597} (( segid " " and resid 92 and name HA )) ( segid " " and resid 97 and name HD1%) 2.400 2.400 3.600 peak 597 spectrum 1 weight 0.10000E+01 volume 0.37340E-02 ppm1 4.490 ppm2 0.897 CV 1 OR { 597} (( segid " " and resid 90 and name HA )) ( segid " " and resid 97 and name HD1%) OR { 597} (( segid " " and resid 90 and name HA )) ( segid " " and resid 97 and name HD2%) OR { 597} (( segid " " and resid 92 and name HA )) ( segid " " and resid 97 and name HD2%) OR { 597} (( segid " " and resid 90 and name HA )) ( segid " " and resid 56 and name HG2%) ASSI { 612} ( segid " " and resid 122 and name HD2%) (( segid " " and resid 123 and name HB1 )) 2.700 0.900 0.900 peak 612 spectrum 1 weight 0.10000E+01 volume 0.21102E-02 ppm1 0.897 ppm2 3.165 CV 1 OR { 612} ( segid " " and resid 122 and name HD2%) (( segid " " and resid 127 and name HB1 )) OR { 612} ( segid " " and resid 122 and name HD2%) (( segid " " and resid 99 and name HB1 )) OR { 612} ( segid " " and resid 122 and name HD2%) (( segid " " and resid 124 and name HE2 )) ASSI { 614} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 66 and name HA )) 2.300 0.700 0.700 peak 614 spectrum 1 weight 0.10000E+01 volume 0.53980E-02 ppm1 1.193 ppm2 4.572 CV 1 OR { 614} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 69 and name HA )) ASSI { 615} ( segid " " and resid 122 and name HD2%) (( segid " " and resid 124 and name HA )) 2.700 2.700 3.300 peak 615 spectrum 1 weight 0.10000E+01 volume 0.22179E-02 ppm1 0.891 ppm2 3.994 CV 1 OR { 615} ( segid " " and resid 122 and name HD2%) (( segid " " and resid 121 and name HA )) ASSI { 617} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 66 and name HB1 )) 2.400 0.700 0.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.44138E-02 ppm1 1.194 ppm2 3.041 CV 1 OR { 617} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 52 and name HB1 )) ASSI { 622} ( segid " " and resid 122 and name HD2%) ( segid " " and resid 130 and name HD% ) 2.600 2.600 3.400 peak 622 spectrum 1 weight 0.10000E+01 volume 0.25571E-02 ppm1 0.895 ppm2 7.113 CV 1 OR { 622} ( segid " " and resid 122 and name HD2%) (( segid " " and resid 126 and name HN )) ASSI { 630} (( segid " " and resid 3 and name HB2 )) (( segid " " and resid 4 and name HA )) 2.500 2.500 3.500 peak 630 spectrum 1 weight 0.10000E+01 volume 0.36142E-02 ppm1 3.922 ppm2 4.892 CV 1 OR { 630} (( segid " " and resid 56 and name HA )) (( segid " " and resid 70 and name HA )) OR { 630} (( segid " " and resid 3 and name HB1 )) (( segid " " and resid 4 and name HA )) ASSI { 639} (( segid " " and resid 112 and name HA2 )) ( segid " " and resid 137 and name HD1%) 2.500 0.800 0.800 peak 639 spectrum 1 weight 0.10000E+01 volume 0.32872E-02 ppm1 3.948 ppm2 1.025 CV 1 OR { 639} (( segid " " and resid 39 and name HA1 )) ( segid " " and resid 62 and name HD2%) OR { 639} (( segid " " and resid 39 and name HA2 )) ( segid " " and resid 62 and name HD2%) OR { 639} (( segid " " and resid 39 and name HA1 )) (( segid " " and resid 40 and name HB1 )) ASSI { 644} ( segid " " and resid 122 and name HD1%) ( segid " " and resid 99 and name HE% ) 2.500 0.800 0.800 peak 644 spectrum 1 weight 0.10000E+01 volume 0.32835E-02 ppm1 0.961 ppm2 6.845 CV 1 OR { 644} ( segid " " and resid 62 and name HD1%) ( segid " " and resid 60 and name HE% ) OR { 644} ( segid " " and resid 62 and name HD1%) ( segid " " and resid 60 and name HD% ) OR { 644} ( segid " " and resid 122 and name HD1%) ( segid " " and resid 119 and name HE% ) ASSI { 645} ( segid " " and resid 122 and name HD1%) ( segid " " and resid 35 and name HE% ) 2.800 1.800 3.300 peak 645 spectrum 1 weight 0.10000E+01 volume 0.22756E-02 ppm1 0.961 ppm2 6.610 CV 1 OR { 645} ( segid " " and resid 122 and name HD1%) ( segid " " and resid 130 and name HE% ) OR { 645} ( segid " " and resid 62 and name HD1%) ( segid " " and resid 35 and name HE% ) ASSI { 647} ( segid " " and resid 62 and name HD1%) (( segid " " and resid 62 and name HB1 )) 2.400 0.700 1.000 peak 647 spectrum 1 weight 0.10000E+01 volume 0.40854E-02 ppm1 0.961 ppm2 1.862 CV 1 OR { 647} ( segid " " and resid 122 and name HD1%) (( segid " " and resid 124 and name HB1 )) ASSI { 648} ( segid " " and resid 122 and name HD1%) (( segid " " and resid 94 and name HD2 )) 3.300 1.000 1.500 peak 648 spectrum 1 weight 0.10000E+01 volume 0.94143E-02 ppm1 0.960 ppm2 1.706 CV 1 OR { 648} ( segid " " and resid 122 and name HD1%) (( segid " " and resid 124 and name HG1 )) OR { 648} ( segid " " and resid 97 and name HD2%) (( segid " " and resid 97 and name HB1 )) OR { 648} ( segid " " and resid 122 and name HD1%) (( segid " " and resid 122 and name HB2 )) ASSI { 649} ( segid " " and resid 122 and name HD1%) (( segid " " and resid 124 and name HG2 )) 2.800 1.000 1.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.16614E-01 ppm1 0.962 ppm2 1.551 CV 1 OR { 649} ( segid " " and resid 122 and name HD1%) (( segid " " and resid 122 and name HG )) ASSI { 652} (( segid " " and resid 17 and name HA2 )) (( segid " " and resid 13 and name HB1 )) 2.500 2.500 3.500 peak 652 spectrum 1 weight 0.10000E+01 volume 0.30929E-02 ppm1 4.227 ppm2 3.337 CV 1 OR { 652} (( segid " " and resid 112 and name HA1 )) (( segid " " and resid 115 and name HB1 )) ASSI { 664} ( segid " " and resid 81 and name HD2%) ( segid " " and resid 76 and name HE% ) 2.700 2.700 3.300 peak 664 spectrum 1 weight 0.10000E+01 volume 0.21145E-02 ppm1 0.482 ppm2 6.796 CV 1 OR { 664} ( segid " " and resid 81 and name HD2%) (( segid " " and resid 105 and name HZ )) ASSI { 668} (( segid " " and resid 61 and name HA2 )) (( segid " " and resid 61 and name HN )) 2.500 0.800 0.800 peak 668 spectrum 1 weight 0.10000E+01 volume 0.34318E-02 ppm1 4.124 ppm2 8.653 CV 1 OR { 668} (( segid " " and resid 112 and name HA1 )) (( segid " " and resid 112 and name HN )) ASSI { 669} (( segid " " and resid 30 and name HA2 )) (( segid " " and resid 30 and name HN )) 2.600 0.900 0.900 peak 669 spectrum 1 weight 0.10000E+01 volume 0.23407E-02 ppm1 4.194 ppm2 8.142 CV 1 OR { 669} (( segid " " and resid 30 and name HA2 )) (( segid " " and resid 50 and name HN )) ASSI { 671} (( segid " " and resid 61 and name HA2 )) ( segid " " and resid 42 and name HE% ) 2.700 0.900 0.900 peak 671 spectrum 1 weight 0.10000E+01 volume 0.19213E-02 ppm1 4.173 ppm2 6.829 CV 1 OR { 671} (( segid " " and resid 61 and name HA2 )) ( segid " " and resid 60 and name HD% ) OR { 671} (( segid " " and resid 17 and name HA2 )) (( segid " " and resid 16 and name HN )) ASSI { 687} (( segid " " and resid 112 and name HA1 )) ( segid " " and resid 25 and name HD2%) 2.500 2.500 3.500 peak 687 spectrum 1 weight 0.10000E+01 volume 0.35538E-02 ppm1 4.244 ppm2 0.665 CV 1 OR { 687} (( segid " " and resid 30 and name HA2 )) ( segid " " and resid 43 and name HG2%) OR { 687} (( segid " " and resid 17 and name HA2 )) ( segid " " and resid 19 and name HD2%) ASSI { 698} ( segid " " and resid 129 and name HD2%) ( segid " " and resid 119 and name HE% ) 2.700 2.700 3.300 peak 698 spectrum 1 weight 0.10000E+01 volume 0.21975E-02 ppm1 1.080 ppm2 6.938 CV 1 OR { 698} ( segid " " and resid 129 and name HD2%) ( segid " " and resid 60 and name HE% ) ASSI { 699} ( segid " " and resid 129 and name HD2%) ( segid " " and resid 99 and name HE% ) 2.300 0.700 0.700 peak 699 spectrum 1 weight 0.10000E+01 volume 0.56578E-02 ppm1 1.079 ppm2 6.841 CV 1 OR { 699} ( segid " " and resid 129 and name HD2%) ( segid " " and resid 119 and name HE% ) OR { 699} ( segid " " and resid 129 and name HD2%) ( segid " " and resid 60 and name HD% ) ASSI { 700} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 10 and name HG1 )) 2.400 0.700 0.700 peak 700 spectrum 1 weight 0.10000E+01 volume 0.43910E-02 ppm1 0.775 ppm2 2.284 CV 1 OR { 700} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 21 and name HB2 )) ASSI { 702} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 100 and name HB1 )) 2.600 2.600 3.400 peak 702 spectrum 1 weight 0.10000E+01 volume 0.24030E-02 ppm1 1.100 ppm2 2.008 CV 1 OR { 702} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 100 and name HB2 )) OR { 702} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 122 and name HB1 )) OR { 702} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 102 and name HB )) ASSI { 703} ( segid " " and resid 137 and name HD2%) (( segid " " and resid 137 and name HB1 )) 2.000 0.500 0.500 peak 703 spectrum 1 weight 0.10000E+01 volume 0.12484E-01 ppm1 0.777 ppm2 1.559 CV 1 OR { 703} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 19 and name HB1 )) ASSI { 705} (( segid " " and resid 98 and name HG2 )) (( segid " " and resid 97 and name HB2 )) 2.000 2.000 4.000 peak 705 spectrum 1 weight 0.10000E+01 volume 0.11029E-01 ppm1 1.242 ppm2 1.444 CV 1 OR { 705} (( segid " " and resid 98 and name HG1 )) (( segid " " and resid 97 and name HB2 )) OR { 705} (( segid " " and resid 98 and name HG1 )) ( segid " " and resid 96 and name HB% ) ASSI { 706} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 62 and name HB1 )) 2.500 2.500 3.500 peak 706 spectrum 1 weight 0.10000E+01 volume 0.30744E-02 ppm1 1.417 ppm2 1.919 CV 1 OR { 706} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 62 and name HB1 )) OR { 706} (( segid " " and resid 64 and name HG1 )) (( segid " " and resid 53 and name HB2 )) OR { 706} (( segid " " and resid 64 and name HG2 )) (( segid " " and resid 53 and name HB2 )) ASSI { 707} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 19 and name HG )) 2.000 0.500 0.500 peak 707 spectrum 1 weight 0.10000E+01 volume 0.11784E-01 ppm1 0.775 ppm2 1.164 CV 1 OR { 707} ( segid " " and resid 137 and name HD2%) (( segid " " and resid 25 and name HG )) ASSI { 714} ( segid " " and resid 137 and name HD2%) (( segid " " and resid 133 and name HD1 )) 2.600 2.600 3.400 peak 714 spectrum 1 weight 0.10000E+01 volume 0.27207E-02 ppm1 0.777 ppm2 6.960 CV 1 OR { 714} ( segid " " and resid 19 and name HD1%) ( segid " " and resid 20 and name HE% ) OR { 714} ( segid " " and resid 137 and name HD2%) ( segid " " and resid 20 and name HE% ) OR { 714} ( segid " " and resid 19 and name HD1%) ( segid " " and resid 76 and name HD% ) ASSI { 715} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 10 and name HE22)) 2.600 0.900 0.900 peak 715 spectrum 1 weight 0.10000E+01 volume 0.24523E-02 ppm1 0.779 ppm2 6.790 CV 1 OR { 715} ( segid " " and resid 137 and name HD2%) (( segid " " and resid 105 and name HZ )) ASSI { 717} (( segid " " and resid 32 and name HB1 )) ( segid " " and resid 40 and name HD1%) 2.600 0.800 0.800 peak 717 spectrum 1 weight 0.10000E+01 volume 0.28489E-02 ppm1 3.675 ppm2 0.771 CV 1 OR { 717} (( segid " " and resid 132 and name HB1 )) ( segid " " and resid 120 and name HG1%) OR { 717} (( segid " " and resid 32 and name HB1 )) ( segid " " and resid 40 and name HD2%) ASSI { 727} (( segid " " and resid 132 and name HB2 )) ( segid " " and resid 118 and name HG2%) 2.700 0.900 0.900 peak 727 spectrum 1 weight 0.10000E+01 volume 0.20861E-02 ppm1 3.645 ppm2 0.989 CV 1 OR { 727} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 40 and name HB1 )) OR { 727} (( segid " " and resid 132 and name HB1 )) ( segid " " and resid 118 and name HG2%) OR { 727} (( segid " " and resid 132 and name HB1 )) ( segid " " and resid 118 and name HG1%) OR { 727} (( segid " " and resid 132 and name HB2 )) ( segid " " and resid 118 and name HG1%) OR { 727} (( segid " " and resid 132 and name HB2 )) ( segid " " and resid 80 and name HG1%) ASSI { 729} (( segid " " and resid 124 and name HG2 )) ( segid " " and resid 122 and name HD1%) 2.600 0.800 0.800 peak 729 spectrum 1 weight 0.10000E+01 volume 0.27324E-02 ppm1 1.504 ppm2 0.898 CV 1 OR { 729} (( segid " " and resid 74 and name HG )) (( segid " " and resid 74 and name HB2 )) ASSI { 731} (( segid " " and resid 117 and name HG1 )) (( segid " " and resid 117 and name HG2 )) 2.600 2.600 3.400 peak 731 spectrum 1 weight 0.10000E+01 volume 0.28531E-02 ppm1 1.570 ppm2 0.947 CV 1 OR { 731} (( segid " " and resid 124 and name HG2 )) ( segid " " and resid 122 and name HD1%) ASSI { 797} ( segid " " and resid 83 and name HD1%) (( segid " " and resid 71 and name HN )) 2.500 2.500 3.500 peak 797 spectrum 1 weight 0.10000E+01 volume 0.30360E-02 ppm1 1.302 ppm2 7.412 CV 1 OR { 797} (( segid " " and resid 25 and name HG )) (( segid " " and resid 138 and name HN )) ASSI { 800} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 74 and name HA )) 2.600 0.800 0.800 peak 800 spectrum 1 weight 0.10000E+01 volume 0.25701E-02 ppm1 0.588 ppm2 4.480 CV 1 OR { 800} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 22 and name HA )) OR { 800} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 41 and name HA )) OR { 800} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 119 and name HA )) ASSI { 801} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 11 and name HB )) 2.500 0.800 0.800 peak 801 spectrum 1 weight 0.10000E+01 volume 0.36351E-02 ppm1 0.595 ppm2 2.259 CV 1 OR { 801} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 129 and name HB1 )) ASSI { 802} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 10 and name HB2 )) 2.600 0.900 0.900 peak 802 spectrum 1 weight 0.10000E+01 volume 0.23550E-02 ppm1 0.596 ppm2 2.012 CV 1 OR { 802} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 10 and name HB1 )) OR { 802} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 122 and name HB1 )) OR { 802} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 75 and name HB2 )) ASSI { 804} (( segid " " and resid 25 and name HG )) ( segid " " and resid 137 and name HD2%) 2.300 0.700 0.700 peak 804 spectrum 1 weight 0.10000E+01 volume 0.56050E-02 ppm1 1.312 ppm2 0.849 CV 1 OR { 804} ( segid " " and resid 83 and name HD1%) ( segid " " and resid 45 and name HG2%) OR { 804} ( segid " " and resid 83 and name HD1%) ( segid " " and resid 45 and name HD1%) ASSI { 838} ( segid " " and resid 129 and name HD1%) ( segid " " and resid 131 and name HD% ) 2.300 2.300 3.700 peak 838 spectrum 1 weight 0.10000E+01 volume 0.56495E-02 ppm1 0.658 ppm2 7.121 CV 1 OR { 838} ( segid " " and resid 129 and name HD1%) ( segid " " and resid 130 and name HD% ) OR { 838} ( segid " " and resid 129 and name HD1%) ( segid " " and resid 42 and name HD% ) ASSI { 839} ( segid " " and resid 129 and name HD1%) ( segid " " and resid 119 and name HE% ) 2.400 0.700 0.700 peak 839 spectrum 1 weight 0.10000E+01 volume 0.43211E-02 ppm1 0.657 ppm2 6.931 CV 1 OR { 839} ( segid " " and resid 129 and name HD1%) ( segid " " and resid 60 and name HE% ) ASSI { 840} ( segid " " and resid 129 and name HD1%) ( segid " " and resid 60 and name HD% ) 2.400 0.700 0.700 peak 840 spectrum 1 weight 0.10000E+01 volume 0.47120E-02 ppm1 0.656 ppm2 6.794 CV 1 OR { 840} ( segid " " and resid 129 and name HD1%) ( segid " " and resid 99 and name HE% ) OR { 840} ( segid " " and resid 129 and name HD1%) ( segid " " and resid 119 and name HD% ) OR { 840} ( segid " " and resid 129 and name HD1%) ( segid " " and resid 35 and name HD% ) ASSI { 841} ( segid " " and resid 129 and name HD1%) ( segid " " and resid 122 and name HD2%) 2.400 0.700 0.700 peak 841 spectrum 1 weight 0.10000E+01 volume 0.46968E-02 ppm1 0.586 ppm2 0.938 CV 1 OR { 841} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 22 and name HG )) OR { 841} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 74 and name HB2 )) ASSI { 842} ( segid " " and resid 129 and name HD1%) ( segid " " and resid 122 and name HD2%) 2.600 0.800 0.800 peak 842 spectrum 1 weight 0.10000E+01 volume 0.27672E-02 ppm1 0.608 ppm2 0.921 CV 1 OR { 842} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 74 and name HB2 )) ASSI { 843} ( segid " " and resid 83 and name HD1%) (( segid " " and resid 83 and name HG )) 2.500 0.800 0.800 peak 843 spectrum 1 weight 0.10000E+01 volume 0.29425E-02 ppm1 1.379 ppm2 1.714 CV 1 OR { 843} (( segid " " and resid 81 and name HG )) (( segid " " and resid 81 and name HB1 )) OR { 843} (( segid " " and resid 74 and name HG )) (( segid " " and resid 74 and name HB1 )) ASSI { 844} ( segid " " and resid 83 and name HD1%) (( segid " " and resid 83 and name HG )) 2.400 0.700 0.700 peak 844 spectrum 1 weight 0.10000E+01 volume 0.47332E-02 ppm1 1.308 ppm2 1.815 CV 1 OR { 844} (( segid " " and resid 25 and name HG )) (( segid " " and resid 25 and name HB1 )) ASSI { 846} (( segid " " and resid 81 and name HG )) ( segid " " and resid 81 and name HD1%) 2.400 0.700 0.700 peak 846 spectrum 1 weight 0.10000E+01 volume 0.39429E-02 ppm1 1.378 ppm2 0.193 CV 1 OR { 846} ( segid " " and resid 83 and name HD1%) ( segid " " and resid 103 and name HD1%) ASSI { 866} (( segid " " and resid 83 and name HG )) (( segid " " and resid 72 and name HN )) 2.700 2.700 3.300 peak 866 spectrum 1 weight 0.10000E+01 volume 0.23207E-02 ppm1 1.803 ppm2 8.948 CV 1 OR { 866} (( segid " " and resid 45 and name HG11)) (( segid " " and resid 32 and name HN )) OR { 866} (( segid " " and resid 83 and name HG )) (( segid " " and resid 76 and name HN )) OR { 866} (( segid " " and resid 45 and name HG11)) (( segid " " and resid 23 and name HN )) OR { 866} (( segid " " and resid 83 and name HG )) (( segid " " and resid 23 and name HN )) OR { 866} (( segid " " and resid 45 and name HG11)) (( segid " " and resid 133 and name HN )) OR { 866} (( segid " " and resid 83 and name HG )) (( segid " " and resid 133 and name HN )) OR { 866} (( segid " " and resid 45 and name HG11)) (( segid " " and resid 118 and name HN )) ASSI { 871} (( segid " " and resid 45 and name HG11)) (( segid " " and resid 45 and name HG12)) 2.600 0.800 0.800 peak 871 spectrum 1 weight 0.10000E+01 volume 0.28389E-02 ppm1 1.861 ppm2 1.540 CV 1 OR { 871} (( segid " " and resid 83 and name HG )) (( segid " " and resid 83 and name HB2 )) ASSI { 889} (( segid " " and resid 136 and name HG1 )) (( segid " " and resid 136 and name HD1 )) 2.500 0.800 0.800 peak 889 spectrum 1 weight 0.10000E+01 volume 0.36005E-02 ppm1 2.155 ppm2 4.147 CV 1 OR { 889} (( segid " " and resid 92 and name HG1 )) (( segid " " and resid 92 and name HD1 )) OR { 889} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 136 and name HD1 )) OR { 889} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 112 and name HA1 )) ASSI { 890} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 136 and name HD1 )) 2.400 0.700 0.700 peak 890 spectrum 1 weight 0.10000E+01 volume 0.40658E-02 ppm1 2.059 ppm2 4.132 CV 1 OR { 890} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 112 and name HA1 )) ASSI { 891} (( segid " " and resid 83 and name HG )) (( segid " " and resid 22 and name HG )) 2.000 2.000 4.000 peak 891 spectrum 1 weight 0.10000E+01 volume 0.11752E-01 ppm1 1.807 ppm2 1.045 CV 1 OR { 891} (( segid " " and resid 83 and name HG )) ( segid " " and resid 84 and name HG2%) OR { 891} (( segid " " and resid 45 and name HG11)) ( segid " " and resid 58 and name HG2%) OR { 891} (( segid " " and resid 45 and name HG11)) ( segid " " and resid 135 and name HG2%) OR { 891} (( segid " " and resid 45 and name HG11)) ( segid " " and resid 49 and name HG2%) OR { 891} (( segid " " and resid 83 and name HG )) ( segid " " and resid 135 and name HG2%) OR { 891} (( segid " " and resid 45 and name HG11)) (( segid " " and resid 22 and name HG )) OR { 891} (( segid " " and resid 83 and name HG )) ( segid " " and resid 84 and name HG1%) OR { 891} (( segid " " and resid 83 and name HG )) ( segid " " and resid 58 and name HG2%) ASSI { 892} (( segid " " and resid 45 and name HG12)) ( segid " " and resid 45 and name HD1%) 2.500 0.800 0.800 peak 892 spectrum 1 weight 0.10000E+01 volume 0.32968E-02 ppm1 1.438 ppm2 0.855 CV 1 OR { 892} (( segid " " and resid 40 and name HG )) ( segid " " and resid 40 and name HD2%) OR { 892} (( segid " " and resid 43 and name HG11)) ( segid " " and resid 58 and name HG1%) OR { 892} (( segid " " and resid 43 and name HG11)) ( segid " " and resid 41 and name HG2%) ASSI { 901} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 136 and name HD2 )) 2.500 0.800 0.800 peak 901 spectrum 1 weight 0.10000E+01 volume 0.34592E-02 ppm1 2.150 ppm2 3.782 CV 1 OR { 901} (( segid " " and resid 136 and name HG1 )) (( segid " " and resid 136 and name HD2 )) OR { 901} (( segid " " and resid 92 and name HG1 )) (( segid " " and resid 92 and name HD2 )) ASSI { 925} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HN )) 2.700 0.900 0.900 peak 925 spectrum 1 weight 0.10000E+01 volume 0.21974E-02 ppm1 2.268 ppm2 8.670 CV 1 OR { 925} (( segid " " and resid 14 and name HG1 )) (( segid " " and resid 4 and name HN )) ASSI { 926} (( segid " " and resid 92 and name HG2 )) (( segid " " and resid 92 and name HD2 )) 2.700 0.900 0.900 peak 926 spectrum 1 weight 0.10000E+01 volume 0.22535E-02 ppm1 2.226 ppm2 3.764 CV 1 OR { 926} (( segid " " and resid 136 and name HG1 )) (( segid " " and resid 136 and name HD2 )) ASSI { 951} (( segid " " and resid 43 and name HG11)) ( segid " " and resid 58 and name HG1%) 2.500 0.800 0.800 peak 951 spectrum 1 weight 0.10000E+01 volume 0.31590E-02 ppm1 1.415 ppm2 0.853 CV 1 OR { 951} (( segid " " and resid 41 and name HG11)) ( segid " " and resid 41 and name HG2%) OR { 951} (( segid " " and resid 43 and name HG11)) ( segid " " and resid 41 and name HG2%) OR { 951} (( segid " " and resid 43 and name HG11)) ( segid " " and resid 33 and name HG2%) ASSI { 974} (( segid " " and resid 136 and name HG1 )) (( segid " " and resid 136 and name HD1 )) 2.700 0.900 0.900 peak 974 spectrum 1 weight 0.10000E+01 volume 0.22207E-02 ppm1 2.225 ppm2 4.143 CV 1 OR { 974} (( segid " " and resid 92 and name HG2 )) (( segid " " and resid 92 and name HD1 )) ASSI { 977} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 56 and name HA )) 2.700 2.700 3.300 peak 977 spectrum 1 weight 0.10000E+01 volume 0.20290E-02 ppm1 2.296 ppm2 3.861 CV 1 OR { 977} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 72 and name HB1 )) OR { 977} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 48 and name HA1 )) OR { 977} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 69 and name HB2 )) OR { 977} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 69 and name HB1 )) OR { 977} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 30 and name HA1 )) OR { 977} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 101 and name HB1 )) OR { 977} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 3 and name HB1 )) OR { 977} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 69 and name HB1 )) ASSI { 978} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 136 and name HD2 )) 2.700 0.900 0.900 peak 978 spectrum 1 weight 0.10000E+01 volume 0.20999E-02 ppm1 2.094 ppm2 3.705 CV 1 OR { 978} (( segid " " and resid 144 and name HG2 )) (( segid " " and resid 144 and name HD2 )) OR { 978} (( segid " " and resid 136 and name HG1 )) (( segid " " and resid 136 and name HD2 )) OR { 978} (( segid " " and resid 144 and name HG1 )) (( segid " " and resid 144 and name HD2 )) ASSI { 982} (( segid " " and resid 90 and name HG2 )) (( segid " " and resid 90 and name HB2 )) 2.400 0.700 0.700 peak 982 spectrum 1 weight 0.10000E+01 volume 0.41252E-02 ppm1 2.098 ppm2 1.924 CV 1 OR { 982} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 53 and name HB2 )) ASSI { 1109} (( segid " " and resid 94 and name HD1 )) (( segid " " and resid 94 and name HA )) 2.400 0.700 0.700 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.39248E-02 ppm1 1.752 ppm2 4.439 CV 1 OR { 1109} (( segid " " and resid 2 and name HD1 )) (( segid " " and resid 2 and name HA )) OR { 1109} (( segid " " and resid 94 and name HD2 )) (( segid " " and resid 94 and name HA )) OR { 1109} (( segid " " and resid 2 and name HD2 )) (( segid " " and resid 2 and name HA )) ASSI { 1137} (( segid " " and resid 38 and name HD1 )) (( segid " " and resid 37 and name HA )) 2.700 0.900 0.900 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.21510E-02 ppm1 1.609 ppm2 4.260 CV 1 OR { 1137} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 87 and name HA )) OR { 1137} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 87 and name HA )) OR { 1137} (( segid " " and resid 38 and name HD2 )) (( segid " " and resid 37 and name HA )) ASSI { 1138} (( segid " " and resid 38 and name HD1 )) (( segid " " and resid 38 and name HE2 )) 2.300 0.700 0.700 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.54531E-02 ppm1 1.619 ppm2 2.936 CV 1 OR { 1138} (( segid " " and resid 100 and name HD1 )) (( segid " " and resid 100 and name HE1 )) OR { 1138} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 98 and name HE2 )) OR { 1138} (( segid " " and resid 38 and name HD2 )) (( segid " " and resid 38 and name HE1 )) OR { 1138} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 98 and name HE1 )) OR { 1138} (( segid " " and resid 100 and name HD1 )) (( segid " " and resid 100 and name HE2 )) OR { 1138} (( segid " " and resid 100 and name HD2 )) (( segid " " and resid 100 and name HE1 )) OR { 1138} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 98 and name HE1 )) OR { 1138} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 98 and name HE2 )) OR { 1138} (( segid " " and resid 100 and name HD2 )) (( segid " " and resid 100 and name HE2 )) OR { 1138} (( segid " " and resid 38 and name HD1 )) (( segid " " and resid 38 and name HE1 )) ASSI { 1139} (( segid " " and resid 100 and name HD1 )) (( segid " " and resid 100 and name HG2 )) 2.300 0.600 0.600 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.61244E-02 ppm1 1.614 ppm2 1.289 CV 1 OR { 1139} (( segid " " and resid 38 and name HD2 )) (( segid " " and resid 38 and name HG1 )) OR { 1139} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 98 and name HG2 )) OR { 1139} (( segid " " and resid 38 and name HD1 )) (( segid " " and resid 38 and name HG2 )) OR { 1139} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 98 and name HG1 )) OR { 1139} (( segid " " and resid 100 and name HD2 )) (( segid " " and resid 100 and name HG2 )) OR { 1139} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 98 and name HG1 )) OR { 1139} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 98 and name HG2 )) ASSI { 1185} (( segid " " and resid 64 and name HD1 )) (( segid " " and resid 61 and name HA1 )) 2.500 0.800 0.800 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.34142E-02 ppm1 1.727 ppm2 4.337 CV 1 OR { 1185} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 87 and name HA )) OR { 1185} (( segid " " and resid 64 and name HD2 )) (( segid " " and resid 61 and name HA1 )) OR { 1185} (( segid " " and resid 141 and name HD1 )) (( segid " " and resid 141 and name HA )) OR { 1185} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 87 and name HA )) OR { 1185} (( segid " " and resid 141 and name HD2 )) (( segid " " and resid 141 and name HA )) OR { 1185} (( segid " " and resid 64 and name HD1 )) (( segid " " and resid 63 and name HA )) ASSI { 1186} (( segid " " and resid 50 and name HD1 )) (( segid " " and resid 50 and name HG1 )) 2.100 0.600 0.600 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.85001E-02 ppm1 1.774 ppm2 1.364 CV 1 OR { 1186} (( segid " " and resid 64 and name HD1 )) (( segid " " and resid 64 and name HG2 )) OR { 1186} (( segid " " and resid 141 and name HD2 )) (( segid " " and resid 141 and name HG1 )) OR { 1186} (( segid " " and resid 116 and name HD2 )) (( segid " " and resid 116 and name HG1 )) OR { 1186} (( segid " " and resid 116 and name HD1 )) (( segid " " and resid 116 and name HG2 )) OR { 1186} (( segid " " and resid 141 and name HD1 )) (( segid " " and resid 141 and name HG2 )) OR { 1186} (( segid " " and resid 116 and name HD2 )) (( segid " " and resid 116 and name HG2 )) OR { 1186} (( segid " " and resid 116 and name HD1 )) (( segid " " and resid 116 and name HG1 )) OR { 1186} (( segid " " and resid 141 and name HD2 )) (( segid " " and resid 141 and name HG2 )) OR { 1186} (( segid " " and resid 50 and name HD2 )) (( segid " " and resid 50 and name HG1 )) OR { 1186} (( segid " " and resid 141 and name HD1 )) (( segid " " and resid 141 and name HG1 )) ASSI { 1189} (( segid " " and resid 135 and name HB )) ( segid " " and resid 137 and name HD1%) 2.600 2.600 3.400 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.27429E-02 ppm1 4.257 ppm2 0.956 CV 1 OR { 1189} (( segid " " and resid 135 and name HB )) (( segid " " and resid 137 and name HG )) OR { 1189} (( segid " " and resid 135 and name HB )) ( segid " " and resid 80 and name HG1%) ASSI { 1194} (( segid " " and resid 116 and name HD2 )) (( segid " " and resid 116 and name HE1 )) 2.100 0.600 0.600 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.82130E-02 ppm1 1.802 ppm2 3.146 CV 1 OR { 1194} (( segid " " and resid 124 and name HD2 )) (( segid " " and resid 124 and name HE2 )) OR { 1194} (( segid " " and resid 94 and name HD2 )) (( segid " " and resid 94 and name HE2 )) OR { 1194} (( segid " " and resid 94 and name HD2 )) (( segid " " and resid 94 and name HE1 )) OR { 1194} (( segid " " and resid 94 and name HD1 )) (( segid " " and resid 94 and name HE2 )) OR { 1194} (( segid " " and resid 116 and name HD1 )) (( segid " " and resid 116 and name HE2 )) OR { 1194} (( segid " " and resid 94 and name HD1 )) (( segid " " and resid 94 and name HE1 )) OR { 1194} (( segid " " and resid 116 and name HD2 )) (( segid " " and resid 116 and name HE2 )) OR { 1194} (( segid " " and resid 116 and name HD1 )) (( segid " " and resid 116 and name HE1 )) OR { 1194} (( segid " " and resid 124 and name HD2 )) (( segid " " and resid 124 and name HE1 )) OR { 1194} (( segid " " and resid 124 and name HD1 )) (( segid " " and resid 124 and name HE2 )) ASSI { 1221} (( segid " " and resid 100 and name HD1 )) (( segid " " and resid 100 and name HG2 )) 2.300 0.700 0.700 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.54246E-02 ppm1 1.682 ppm2 1.336 CV 1 OR { 1221} (( segid " " and resid 64 and name HD1 )) (( segid " " and resid 64 and name HG2 )) OR { 1221} (( segid " " and resid 64 and name HD2 )) (( segid " " and resid 64 and name HG2 )) ASSI { 1222} (( segid " " and resid 100 and name HD2 )) ( segid " " and resid 84 and name HG1%) 2.400 0.700 0.700 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.40247E-02 ppm1 1.656 ppm2 0.931 CV 1 OR { 1222} (( segid " " and resid 100 and name HD1 )) ( segid " " and resid 84 and name HG1%) OR { 1222} (( segid " " and resid 100 and name HD1 )) ( segid " " and resid 102 and name HG2%) OR { 1222} (( segid " " and resid 100 and name HD2 )) ( segid " " and resid 102 and name HG2%) ASSI { 1223} (( segid " " and resid 50 and name HD1 )) (( segid " " and resid 50 and name HG1 )) 2.500 0.800 0.800 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.30099E-02 ppm1 1.875 ppm2 1.364 CV 1 OR { 1223} (( segid " " and resid 116 and name HD2 )) (( segid " " and resid 116 and name HG1 )) OR { 1223} (( segid " " and resid 116 and name HD1 )) (( segid " " and resid 116 and name HG2 )) OR { 1223} (( segid " " and resid 116 and name HD2 )) (( segid " " and resid 116 and name HG2 )) OR { 1223} (( segid " " and resid 116 and name HD1 )) (( segid " " and resid 116 and name HG1 )) OR { 1223} (( segid " " and resid 50 and name HD2 )) (( segid " " and resid 50 and name HG1 )) ASSI { 1225} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 64 and name HD2 )) 2.300 0.700 0.700 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.51936E-02 ppm1 2.149 ppm2 1.680 CV 1 OR { 1225} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 64 and name HD1 )) OR { 1225} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 38 and name HD1 )) OR { 1225} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HD2 )) OR { 1225} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HD1 )) ASSI { 1227} (( segid " " and resid 124 and name HD1 )) (( segid " " and resid 124 and name HG2 )) 2.000 0.500 0.500 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.12162E-01 ppm1 1.831 ppm2 1.559 CV 1 OR { 1227} (( segid " " and resid 124 and name HD2 )) (( segid " " and resid 124 and name HG2 )) OR { 1227} (( segid " " and resid 116 and name HD1 )) (( segid " " and resid 116 and name HB2 )) OR { 1227} (( segid " " and resid 116 and name HD2 )) (( segid " " and resid 116 and name HB2 )) ASSI { 1228} (( segid " " and resid 50 and name HD1 )) (( segid " " and resid 50 and name HG1 )) 2.400 0.700 0.700 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.41179E-02 ppm1 1.875 ppm2 1.451 CV 1 OR { 1228} (( segid " " and resid 50 and name HD2 )) (( segid " " and resid 50 and name HG1 )) OR { 1228} (( segid " " and resid 116 and name HD1 )) (( segid " " and resid 116 and name HB2 )) OR { 1228} (( segid " " and resid 116 and name HD2 )) (( segid " " and resid 116 and name HB2 )) ASSI { 1250} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 140 and name HG2 )) 2.600 2.600 3.400 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.27708E-02 ppm1 2.979 ppm2 1.793 CV 1 OR { 1250} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 140 and name HB1 )) OR { 1250} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 141 and name HB2 )) OR { 1250} (( segid " " and resid 18 and name HB2 )) (( segid " " and resid 141 and name HD2 )) ASSI { 1287} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 143 and name HB2 )) 2.200 0.600 0.600 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.75813E-02 ppm1 2.299 ppm2 1.879 CV 1 OR { 1287} (( segid " " and resid 147 and name HB2 )) (( segid " " and resid 143 and name HB2 )) OR { 1287} (( segid " " and resid 147 and name HB1 )) (( segid " " and resid 144 and name HB2 )) ASSI { 1346} (( segid " " and resid 144 and name HD1 )) (( segid " " and resid 143 and name HB2 )) 2.400 0.700 0.700 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.45694E-02 ppm1 3.848 ppm2 1.873 CV 1 OR { 1346} (( segid " " and resid 144 and name HD1 )) (( segid " " and resid 144 and name HB2 )) ASSI { 1392} (( segid " " and resid 14 and name HD2 )) (( segid " " and resid 14 and name HB1 )) 2.700 0.900 0.900 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.21068E-02 ppm1 4.269 ppm2 2.467 CV 1 OR { 1392} (( segid " " and resid 14 and name HD2 )) (( segid " " and resid 13 and name HB2 )) ASSI { 1400} (( segid " " and resid 14 and name HD2 )) ( segid " " and resid 11 and name HG1%) 2.700 2.700 3.300 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.21555E-02 ppm1 4.329 ppm2 1.457 CV 1 OR { 1400} (( segid " " and resid 14 and name HD2 )) (( segid " " and resid 2 and name HG2 )) OR { 1400} (( segid " " and resid 14 and name HD2 )) (( segid " " and resid 2 and name HG1 )) OR { 1400} (( segid " " and resid 14 and name HD2 )) (( segid " " and resid 81 and name HG )) OR { 1400} (( segid " " and resid 14 and name HD2 )) (( segid " " and resid 74 and name HG )) ASSI { 1439} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 90 and name HA )) 2.600 0.900 0.900 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.24377E-02 ppm1 1.842 ppm2 4.535 CV 1 OR { 1439} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HA )) ASSI { 1441} (( segid " " and resid 136 and name HB1 )) (( segid " " and resid 136 and name HG1 )) 2.200 0.600 0.600 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.70265E-02 ppm1 2.620 ppm2 2.179 CV 1 OR { 1441} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HG2 )) ASSI { 1448} (( segid " " and resid 81 and name HA )) (( segid " " and resid 82 and name HB2 )) 2.600 2.600 3.400 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.23526E-02 ppm1 5.461 ppm2 1.806 CV 1 OR { 1448} (( segid " " and resid 81 and name HA )) (( segid " " and resid 83 and name HG )) ASSI { 1451} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 14 and name HB2 )) 2.700 2.700 3.300 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.21017E-02 ppm1 2.512 ppm2 2.091 CV 1 OR { 1451} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HG2 )) ASSI { 1473} ( segid " " and resid 105 and name HD% ) (( segid " " and resid 81 and name HB2 )) 2.700 0.900 0.900 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.19560E-02 ppm1 6.745 ppm2 1.438 CV 1 OR { 1473} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 41 and name HG11)) OR { 1473} ( segid " " and resid 105 and name HD% ) (( segid " " and resid 137 and name HB2 )) ASSI { 1477} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 63 and name HN )) 2.600 0.800 0.800 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.26779E-02 ppm1 0.693 ppm2 7.987 CV 1 OR { 1477} ( segid " " and resid 65 and name HD1%) (( segid " " and resid 60 and name HN )) ASSI { 1478} (( segid " " and resid 136 and name HD2 )) (( segid " " and resid 133 and name HD1 )) 2.700 2.700 3.300 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.21045E-02 ppm1 3.766 ppm2 6.967 CV 1 OR { 1478} (( segid " " and resid 136 and name HD2 )) (( segid " " and resid 115 and name HD21)) ASSI { 1479} (( segid " " and resid 136 and name HD1 )) (( segid " " and resid 133 and name HD1 )) 2.500 2.500 3.500 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.34717E-02 ppm1 4.122 ppm2 6.958 CV 1 OR { 1479} (( segid " " and resid 136 and name HD1 )) (( segid " " and resid 115 and name HD21)) ASSI { 1480} ( segid " " and resid 65 and name HD1%) ( segid " " and resid 60 and name HD% ) 2.400 0.700 0.700 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.42656E-02 ppm1 0.687 ppm2 6.804 CV 1 OR { 1480} ( segid " " and resid 65 and name HD1%) ( segid " " and resid 99 and name HE% ) ASSI { 1482} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 124 and name HG2 )) 2.500 0.800 0.800 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.34168E-02 ppm1 1.951 ppm2 1.487 CV 1 OR { 1482} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 26 and name HG2 )) OR { 1482} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 26 and name HG1 )) OR { 1482} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 124 and name HG2 )) ASSI { 1496} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 40 and name HN )) 2.700 2.700 3.300 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.20760E-02 ppm1 6.750 ppm2 8.390 CV 1 OR { 1496} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 122 and name HN )) ASSI { 1498} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 38 and name HA )) 2.300 0.600 0.600 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.59414E-02 ppm1 1.812 ppm2 4.430 CV 1 OR { 1498} (( segid " " and resid 94 and name HB1 )) (( segid " " and resid 94 and name HA )) OR { 1498} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HA )) OR { 1498} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 38 and name HA )) ASSI { 1507} (( segid " " and resid 116 and name HB1 )) (( segid " " and resid 116 and name HB2 )) 2.100 0.500 0.500 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.10006E-01 ppm1 1.823 ppm2 1.499 CV 1 OR { 1507} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HG1 )) OR { 1507} (( segid " " and resid 2 and name HB2 )) (( segid " " and resid 2 and name HG2 )) OR { 1507} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 94 and name HG1 )) OR { 1507} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 94 and name HG2 )) OR { 1507} (( segid " " and resid 2 and name HB2 )) (( segid " " and resid 2 and name HG1 )) OR { 1507} (( segid " " and resid 94 and name HB1 )) (( segid " " and resid 94 and name HG1 )) ASSI { 1509} (( segid " " and resid 53 and name HB2 )) ( segid " " and resid 56 and name HG2%) 2.800 0.900 1.200 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.23165E-02 ppm1 1.836 ppm2 0.939 CV 1 ASSI { 1525} (( segid " " and resid 96 and name HA )) (( segid " " and resid 92 and name HA )) 3.300 1.000 1.000 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.25215E-02 ppm1 4.263 ppm2 4.487 CV 1 OR { 1525} (( segid " " and resid 34 and name HA )) (( segid " " and resid 33 and name HA )) ASSI { 1526} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 124 and name HG2 )) 2.300 0.700 0.700 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.49058E-02 ppm1 1.914 ppm2 1.556 CV 1 OR { 1526} (( segid " " and resid 2 and name HB1 )) (( segid " " and resid 2 and name HG2 )) OR { 1526} (( segid " " and resid 2 and name HB1 )) (( segid " " and resid 2 and name HG1 )) OR { 1526} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 124 and name HG2 )) OR { 1526} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 38 and name HD1 )) OR { 1526} (( segid " " and resid 38 and name HB1 )) (( segid " " and resid 38 and name HD2 )) ASSI { 1537} (( segid " " and resid 10 and name HG1 )) (( segid " " and resid 20 and name HB2 )) 2.300 2.300 3.700 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.55009E-02 ppm1 2.228 ppm2 2.674 CV 1 OR { 1537} (( segid " " and resid 10 and name HG1 )) (( segid " " and resid 5 and name HB )) OR { 1537} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 20 and name HB2 )) OR { 1537} (( segid " " and resid 10 and name HG2 )) (( segid " " and resid 5 and name HB )) OR { 1537} (( segid " " and resid 10 and name HG1 )) (( segid " " and resid 76 and name HB1 )) ASSI { 1538} (( segid " " and resid 10 and name HB2 )) ( segid " " and resid 19 and name HD1%) 2.400 0.700 0.700 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.38201E-02 ppm1 1.982 ppm2 0.790 CV 1 OR { 1538} (( segid " " and resid 10 and name HB2 )) ( segid " " and resid 19 and name HD2%) OR { 1538} (( segid " " and resid 102 and name HB )) ( segid " " and resid 102 and name HG1%) ASSI { 1548} (( segid " " and resid 116 and name HB1 )) (( segid " " and resid 134 and name HB2 )) 2.600 0.900 0.900 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.23598E-02 ppm1 1.797 ppm2 2.978 CV 1 OR { 1548} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 141 and name HE2 )) OR { 1548} (( segid " " and resid 141 and name HB1 )) (( segid " " and resid 141 and name HE2 )) OR { 1548} (( segid " " and resid 141 and name HB1 )) (( segid " " and resid 141 and name HE1 )) OR { 1548} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 141 and name HE1 )) ASSI { 1556} (( segid " " and resid 2 and name HB1 )) (( segid " " and resid 3 and name HN )) 2.600 0.900 0.900 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.25251E-02 ppm1 1.841 ppm2 8.609 CV 1 OR { 1556} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 142 and name HN )) OR { 1556} (( segid " " and resid 2 and name HB2 )) (( segid " " and resid 3 and name HN )) ASSI { 1557} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 142 and name HN )) 2.600 0.900 0.900 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.24255E-02 ppm1 1.766 ppm2 8.594 CV 1 OR { 1557} (( segid " " and resid 2 and name HB2 )) (( segid " " and resid 3 and name HN )) OR { 1557} (( segid " " and resid 141 and name HB1 )) (( segid " " and resid 142 and name HN )) ASSI { 1563} (( segid " " and resid 116 and name HB1 )) (( segid " " and resid 116 and name HB2 )) 2.200 0.600 0.600 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.75656E-02 ppm1 1.840 ppm2 1.457 CV 1 OR { 1563} (( segid " " and resid 2 and name HB2 )) (( segid " " and resid 2 and name HG2 )) OR { 1563} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 141 and name HG1 )) OR { 1563} (( segid " " and resid 141 and name HB1 )) (( segid " " and resid 141 and name HG2 )) OR { 1563} (( segid " " and resid 2 and name HB2 )) (( segid " " and resid 2 and name HG1 )) OR { 1563} (( segid " " and resid 2 and name HB1 )) (( segid " " and resid 2 and name HG1 )) ASSI { 1571} ( segid " " and resid 43 and name HD1%) ( segid " " and resid 31 and name HD% ) 2.500 2.500 3.500 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.29377E-02 ppm1 0.095 ppm2 7.296 CV 1 OR { 1571} ( segid " " and resid 41 and name HD1%) ( segid " " and resid 99 and name HD% ) ASSI { 1574} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 119 and name HB2 )) 2.600 0.800 0.800 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.26009E-02 ppm1 0.103 ppm2 2.980 CV 1 OR { 1574} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 31 and name HB2 )) ASSI { 1575} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 31 and name HB1 )) 2.700 0.900 0.900 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.18942E-02 ppm1 0.140 ppm2 2.469 CV 1 OR { 1575} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 35 and name HB1 )) OR { 1575} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 133 and name HB2 )) ASSI { 1578} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HB )) 2.100 0.600 0.600 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.89263E-02 ppm1 0.096 ppm2 1.534 CV 1 OR { 1578} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 41 and name HB )) ASSI { 1579} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HG11)) 2.100 0.500 0.500 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.10670E-01 ppm1 0.096 ppm2 1.442 CV 1 OR { 1579} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 41 and name HG11)) OR { 1579} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HB )) ASSI { 1580} ( segid " " and resid 41 and name HD1%) ( segid " " and resid 33 and name HG1%) 2.200 0.600 0.600 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.70716E-02 ppm1 0.095 ppm2 1.069 CV 1 OR { 1580} ( segid " " and resid 43 and name HD1%) ( segid " " and resid 58 and name HG2%) OR { 1580} ( segid " " and resid 43 and name HD1%) ( segid " " and resid 33 and name HG1%) ASSI { 1582} (( segid " " and resid 80 and name HB )) ( segid " " and resid 80 and name HG1%) 2.000 0.500 0.500 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.11823E-01 ppm1 2.111 ppm2 0.927 CV 1 OR { 1582} (( segid " " and resid 80 and name HB )) ( segid " " and resid 80 and name HG2%) OR { 1582} (( segid " " and resid 84 and name HB )) ( segid " " and resid 84 and name HG2%) OR { 1582} (( segid " " and resid 84 and name HB )) ( segid " " and resid 84 and name HG1%) ASSI { 1583} (( segid " " and resid 10 and name HA )) ( segid " " and resid 19 and name HD2%) 2.400 0.700 0.700 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.46350E-02 ppm1 5.407 ppm2 0.782 CV 1 OR { 1583} (( segid " " and resid 10 and name HA )) ( segid " " and resid 19 and name HD1%) OR { 1583} (( segid " " and resid 10 and name HA )) ( segid " " and resid 74 and name HD1%) ASSI { 1601} (( segid " " and resid 125 and name HG2 )) (( segid " " and resid 125 and name HN )) 2.400 2.400 3.600 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.40295E-02 ppm1 2.465 ppm2 8.471 CV 1 OR { 1601} (( segid " " and resid 6 and name HG1 )) (( segid " " and resid 7 and name HN )) OR { 1601} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 7 and name HN )) OR { 1601} (( segid " " and resid 125 and name HG1 )) (( segid " " and resid 125 and name HN )) ASSI { 1603} ( segid " " and resid 103 and name HD1%) (( segid " " and resid 71 and name HN )) 2.700 2.700 3.300 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.23148E-02 ppm1 0.243 ppm2 7.438 CV 1 OR { 1603} ( segid " " and resid 103 and name HD1%) (( segid " " and resid 114 and name HD22)) OR { 1603} ( segid " " and resid 103 and name HD1%) (( segid " " and resid 138 and name HN )) ASSI { 1606} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 131 and name HB1 )) 2.600 0.900 0.900 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.25541E-02 ppm1 0.147 ppm2 2.959 CV 1 OR { 1606} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 119 and name HB2 )) OR { 1606} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 31 and name HB2 )) ASSI { 1608} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HG11)) 2.200 0.600 0.600 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.73554E-02 ppm1 0.139 ppm2 1.413 CV 1 OR { 1608} ( segid " " and resid 41 and name HD1%) (( segid " " and resid 41 and name HG11)) ASSI { 1636} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HG1 )) 2.600 0.900 0.900 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.24682E-02 ppm1 5.300 ppm2 1.612 CV 1 OR { 1636} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HD2 )) OR { 1636} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HD1 )) OR { 1636} (( segid " " and resid 100 and name HA )) (( segid " " and resid 129 and name HB2 )) ASSI { 1640} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HE22)) 2.700 0.900 0.900 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.20746E-02 ppm1 6.048 ppm2 6.731 CV 1 OR { 1640} (( segid " " and resid 82 and name HA )) ( segid " " and resid 105 and name HD% ) ASSI { 1645} (( segid " " and resid 33 and name HB )) ( segid " " and resid 43 and name HD1%) 2.700 0.900 0.900 peak 1645 spectrum 1 weight 0.10000E+01 volume 0.20802E-02 ppm1 2.135 ppm2 0.131 CV 1 OR { 1645} (( segid " " and resid 33 and name HB )) ( segid " " and resid 41 and name HD1%) ASSI { 1647} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HG1 )) 2.100 0.500 0.500 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.10383E-01 ppm1 1.777 ppm2 2.156 CV 1 OR { 1647} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HG2 )) OR { 1647} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 75 and name HB2 )) ASSI { 1649} (( segid " " and resid 118 and name HB )) (( segid " " and resid 119 and name HN )) 2.300 0.700 0.700 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.53109E-02 ppm1 2.181 ppm2 8.962 CV 1 OR { 1649} (( segid " " and resid 118 and name HB )) (( segid " " and resid 118 and name HN )) ASSI { 1651} (( segid " " and resid 118 and name HB )) (( segid " " and resid 118 and name HA )) 2.400 0.700 0.700 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.38617E-02 ppm1 2.180 ppm2 4.496 CV 1 OR { 1651} (( segid " " and resid 33 and name HB )) (( segid " " and resid 33 and name HA )) OR { 1651} (( segid " " and resid 118 and name HB )) (( segid " " and resid 119 and name HA )) ASSI { 1660} (( segid " " and resid 143 and name HG1 )) (( segid " " and resid 143 and name HB2 )) 2.000 0.500 0.500 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.12214E-01 ppm1 2.301 ppm2 1.891 CV 1 OR { 1660} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 143 and name HB2 )) OR { 1660} (( segid " " and resid 37 and name HG1 )) (( segid " " and resid 37 and name HB2 )) OR { 1660} (( segid " " and resid 142 and name HG1 )) (( segid " " and resid 140 and name HG2 )) ASSI { 1662} (( segid " " and resid 105 and name HA )) ( segid " " and resid 105 and name HD% ) 2.700 0.900 0.900 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.20895E-02 ppm1 5.510 ppm2 6.719 CV 1 OR { 1662} (( segid " " and resid 131 and name HA )) ( segid " " and resid 119 and name HD% ) ASSI { 1663} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HN )) 2.500 0.800 0.800 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.32519E-02 ppm1 4.345 ppm2 8.108 CV 1 OR { 1663} (( segid " " and resid 87 and name HA )) (( segid " " and resid 88 and name HN )) OR { 1663} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HN )) ASSI { 1664} (( segid " " and resid 87 and name HA )) (( segid " " and resid 88 and name HN )) 2.500 0.800 0.800 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.33392E-02 ppm1 4.288 ppm2 8.098 CV 1 OR { 1664} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HN )) ASSI { 1666} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB2 )) 2.000 0.500 0.500 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.11556E-01 ppm1 4.360 ppm2 1.878 CV 1 OR { 1666} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HB1 )) OR { 1666} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB1 )) OR { 1666} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HB2 )) OR { 1666} (( segid " " and resid 87 and name HA )) (( segid " " and resid 98 and name HB2 )) ASSI { 1668} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 98 and name HG1 )) 2.500 0.800 0.800 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.34187E-02 ppm1 1.895 ppm2 1.228 CV 1 OR { 1668} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 98 and name HG2 )) OR { 1668} (( segid " " and resid 58 and name HB )) ( segid " " and resid 67 and name HB% ) ASSI { 1670} (( segid " " and resid 105 and name HA )) (( segid " " and resid 105 and name HB2 )) 2.500 0.800 0.800 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.30117E-02 ppm1 5.530 ppm2 2.458 CV 1 OR { 1670} (( segid " " and resid 105 and name HA )) (( segid " " and resid 133 and name HB2 )) ASSI { 1681} (( segid " " and resid 135 and name HA )) (( segid " " and resid 133 and name HD1 )) 2.300 2.300 3.700 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.50280E-02 ppm1 5.408 ppm2 6.965 CV 1 OR { 1681} (( segid " " and resid 135 and name HA )) (( segid " " and resid 115 and name HD21)) ASSI { 1682} (( segid " " and resid 6 and name HA )) (( segid " " and resid 7 and name HN )) 1.900 0.500 0.500 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.14846E-01 ppm1 4.465 ppm2 8.438 CV 1 OR { 1682} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HN )) ASSI { 1683} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HN )) 2.400 0.700 0.700 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.40934E-02 ppm1 4.393 ppm2 8.119 CV 1 OR { 1683} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HN )) ASSI { 1687} (( segid " " and resid 37 and name HG2 )) (( segid " " and resid 37 and name HB2 )) 2.200 0.600 0.600 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.79541E-02 ppm1 2.157 ppm2 1.891 CV 1 OR { 1687} (( segid " " and resid 45 and name HB )) (( segid " " and resid 45 and name HG11)) ASSI { 1689} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 91 and name HB2 )) 2.600 2.600 3.400 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.23678E-02 ppm1 1.867 ppm2 2.185 CV 1 OR { 1689} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 90 and name HG1 )) OR { 1689} (( segid " " and resid 58 and name HB )) (( segid " " and resid 33 and name HB )) OR { 1689} (( segid " " and resid 58 and name HB )) (( segid " " and resid 53 and name HG2 )) OR { 1689} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 92 and name HG2 )) OR { 1689} (( segid " " and resid 58 and name HB )) (( segid " " and resid 64 and name HB1 )) OR { 1689} (( segid " " and resid 140 and name HG2 )) (( segid " " and resid 14 and name HG1 )) OR { 1689} (( segid " " and resid 58 and name HB )) (( segid " " and resid 45 and name HB )) OR { 1689} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 92 and name HG1 )) OR { 1689} (( segid " " and resid 58 and name HB )) (( segid " " and resid 84 and name HB )) OR { 1689} (( segid " " and resid 58 and name HB )) (( segid " " and resid 64 and name HB2 )) OR { 1689} (( segid " " and resid 140 and name HG2 )) (( segid " " and resid 14 and name HG2 )) OR { 1689} (( segid " " and resid 58 and name HB )) ( segid " " and resid 75 and name HE% ) OR { 1689} (( segid " " and resid 58 and name HB )) (( segid " " and resid 82 and name HG1 )) OR { 1689} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 125 and name HB2 )) ASSI { 1690} (( segid " " and resid 140 and name HG1 )) (( segid " " and resid 142 and name HG2 )) 2.000 2.000 4.000 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.11947E-01 ppm1 1.956 ppm2 2.321 CV 1 OR { 1690} (( segid " " and resid 140 and name HG1 )) (( segid " " and resid 142 and name HG1 )) OR { 1690} (( segid " " and resid 58 and name HB )) (( segid " " and resid 129 and name HB1 )) ASSI { 1695} (( segid " " and resid 132 and name HA )) (( segid " " and resid 104 and name HN )) 2.600 0.800 0.800 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.27800E-02 ppm1 5.491 ppm2 8.156 CV 1 OR { 1695} (( segid " " and resid 131 and name HA )) (( segid " " and resid 104 and name HN )) ASSI { 1697} (( segid " " and resid 135 and name HA )) (( segid " " and resid 136 and name HD2 )) 2.400 0.700 0.700 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.43179E-02 ppm1 5.478 ppm2 3.820 CV 1 OR { 1697} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB2 )) ASSI { 1698} (( segid " " and resid 132 and name HA )) (( segid " " and resid 132 and name HB1 )) 2.200 0.600 0.600 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.66327E-02 ppm1 5.490 ppm2 3.671 CV 1 OR { 1698} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB1 )) OR { 1698} (( segid " " and resid 132 and name HA )) (( segid " " and resid 104 and name HB2 )) ASSI { 1699} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 101 and name HN )) 2.600 0.900 0.900 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.23595E-02 ppm1 2.005 ppm2 9.082 CV 1 OR { 1699} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HN )) OR { 1699} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HN )) ASSI { 1700} (( segid " " and resid 2 and name HA )) (( segid " " and resid 2 and name HG1 )) 2.300 0.700 0.700 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.56177E-02 ppm1 4.411 ppm2 1.498 CV 1 OR { 1700} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HG2 )) OR { 1700} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HG1 )) OR { 1700} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HG1 )) OR { 1700} (( segid " " and resid 2 and name HA )) (( segid " " and resid 2 and name HG2 )) OR { 1700} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HG2 )) ASSI { 1704} (( segid " " and resid 132 and name HA )) ( segid " " and resid 120 and name HG1%) 2.500 0.800 0.800 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.30342E-02 ppm1 5.483 ppm2 0.870 CV 1 OR { 1704} (( segid " " and resid 32 and name HA )) ( segid " " and resid 33 and name HG2%) OR { 1704} (( segid " " and resid 32 and name HA )) ( segid " " and resid 40 and name HD2%) OR { 1704} (( segid " " and resid 32 and name HA )) ( segid " " and resid 41 and name HG2%) OR { 1704} (( segid " " and resid 132 and name HA )) ( segid " " and resid 80 and name HG1%) ASSI { 1705} (( segid " " and resid 32 and name HA )) (( segid " " and resid 33 and name HN )) 2.100 0.600 0.600 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.82486E-02 ppm1 5.478 ppm2 9.153 CV 1 OR { 1705} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HN )) ASSI { 1706} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HN )) 2.600 0.800 0.800 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.26066E-02 ppm1 5.475 ppm2 8.921 CV 1 OR { 1706} (( segid " " and resid 32 and name HA )) (( segid " " and resid 42 and name HN )) ASSI { 1711} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 86 and name HA )) 2.500 0.800 0.800 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.29394E-02 ppm1 1.914 ppm2 5.233 CV 1 OR { 1711} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 100 and name HA )) OR { 1711} (( segid " " and resid 100 and name HB1 )) (( segid " " and resid 100 and name HA )) ASSI { 1715} (( segid " " and resid 107 and name HA )) (( segid " " and resid 108 and name HN )) 2.100 0.600 0.600 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.91759E-02 ppm1 4.458 ppm2 6.828 CV 1 OR { 1715} (( segid " " and resid 46 and name HA )) (( segid " " and resid 47 and name HN )) ASSI { 1718} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 25 and name HB1 )) 2.400 0.700 0.700 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.44187E-02 ppm1 0.816 ppm2 1.759 CV 1 OR { 1718} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 83 and name HG )) OR { 1718} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 26 and name HB2 )) ASSI { 1720} (( segid " " and resid 45 and name HB )) ( segid " " and resid 49 and name HG2%) 2.500 2.500 3.500 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.34910E-02 ppm1 2.226 ppm2 1.026 CV 1 OR { 1720} (( segid " " and resid 45 and name HB )) ( segid " " and resid 58 and name HG2%) OR { 1720} (( segid " " and resid 45 and name HB )) (( segid " " and resid 22 and name HG )) OR { 1720} (( segid " " and resid 45 and name HB )) ( segid " " and resid 135 and name HG2%) OR { 1720} (( segid " " and resid 45 and name HB )) ( segid " " and resid 137 and name HD1%) OR { 1720} (( segid " " and resid 45 and name HB )) (( segid " " and resid 137 and name HG )) ASSI { 1722} (( segid " " and resid 137 and name HA )) (( segid " " and resid 136 and name HB2 )) 2.500 2.500 3.500 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.33493E-02 ppm1 4.253 ppm2 2.123 CV 1 OR { 1722} (( segid " " and resid 147 and name HA )) (( segid " " and resid 144 and name HG2 )) OR { 1722} (( segid " " and resid 147 and name HA )) (( segid " " and resid 144 and name HG1 )) OR { 1722} (( segid " " and resid 137 and name HA )) (( segid " " and resid 136 and name HG1 )) OR { 1722} (( segid " " and resid 137 and name HA )) (( segid " " and resid 136 and name HG2 )) ASSI { 1723} (( segid " " and resid 6 and name HA )) (( segid " " and resid 73 and name HA )) 2.300 2.300 3.700 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.56572E-02 ppm1 4.483 ppm2 4.705 CV 1 OR { 1723} (( segid " " and resid 6 and name HA )) (( segid " " and resid 5 and name HA )) OR { 1723} (( segid " " and resid 94 and name HA )) (( segid " " and resid 95 and name HA )) OR { 1723} (( segid " " and resid 46 and name HA )) (( segid " " and resid 71 and name HA )) ASSI { 1724} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HG2 )) 2.200 0.600 0.600 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.63437E-02 ppm1 4.239 ppm2 1.570 CV 1 OR { 1724} (( segid " " and resid 137 and name HA )) (( segid " " and resid 137 and name HB1 )) OR { 1724} (( segid " " and resid 145 and name HA )) (( segid " " and resid 145 and name HG1 )) ASSI { 1725} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HB1 )) 2.000 0.500 0.500 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.13364E-01 ppm1 4.413 ppm2 1.816 CV 1 OR { 1725} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HB1 )) OR { 1725} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HD1 )) OR { 1725} (( segid " " and resid 141 and name HA )) (( segid " " and resid 141 and name HB2 )) OR { 1725} (( segid " " and resid 2 and name HA )) (( segid " " and resid 2 and name HB2 )) OR { 1725} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HB2 )) ASSI { 1728} (( segid " " and resid 142 and name HG2 )) (( segid " " and resid 142 and name HB2 )) 1.700 0.400 0.500 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.33127E-01 ppm1 2.300 ppm2 2.053 CV 1 OR { 1728} (( segid " " and resid 37 and name HG1 )) (( segid " " and resid 37 and name HB1 )) OR { 1728} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 143 and name HB1 )) OR { 1728} (( segid " " and resid 143 and name HG1 )) (( segid " " and resid 143 and name HB1 )) OR { 1728} (( segid " " and resid 142 and name HG1 )) (( segid " " and resid 142 and name HB2 )) OR { 1728} (( segid " " and resid 142 and name HG2 )) (( segid " " and resid 142 and name HB1 )) OR { 1728} (( segid " " and resid 142 and name HG1 )) (( segid " " and resid 142 and name HB1 )) ASSI { 1736} (( segid " " and resid 80 and name HB )) (( segid " " and resid 78 and name HB1 )) 2.200 2.200 3.800 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.63489E-02 ppm1 2.149 ppm2 2.484 CV 1 OR { 1736} (( segid " " and resid 80 and name HB )) (( segid " " and resid 105 and name HB2 )) OR { 1736} (( segid " " and resid 80 and name HB )) (( segid " " and resid 79 and name HB2 )) ASSI { 1741} (( segid " " and resid 113 and name HA )) ( segid " " and resid 137 and name HD2%) 2.300 2.300 3.700 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.58775E-02 ppm1 4.527 ppm2 0.779 CV 1 OR { 1741} (( segid " " and resid 66 and name HA )) ( segid " " and resid 41 and name HG2%) ASSI { 1742} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 145 and name HG1 )) 2.400 2.400 3.600 peak 1742 spectrum 1 weight 0.10000E+01 volume 0.44935E-02 ppm1 1.805 ppm2 1.640 CV 1 OR { 1742} (( segid " " and resid 144 and name HB2 )) (( segid " " and resid 145 and name HG2 )) OR { 1742} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 51 and name HB2 )) OR { 1742} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 51 and name HB2 )) OR { 1742} (( segid " " and resid 90 and name HB2 )) (( segid " " and resid 98 and name HB1 )) ASSI { 1744} (( segid " " and resid 138 and name HA )) (( segid " " and resid 81 and name HA )) 2.100 2.100 3.900 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.83969E-02 ppm1 4.568 ppm2 5.463 CV 1 OR { 1744} (( segid " " and resid 138 and name HA )) (( segid " " and resid 105 and name HA )) OR { 1744} (( segid " " and resid 138 and name HA )) (( segid " " and resid 135 and name HA )) ASSI { 1747} (( segid " " and resid 52 and name HA )) (( segid " " and resid 30 and name HA1 )) 2.400 2.400 3.600 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.42780E-02 ppm1 5.331 ppm2 3.876 CV 1 OR { 1747} (( segid " " and resid 52 and name HA )) (( segid " " and resid 48 and name HA1 )) OR { 1747} (( segid " " and resid 52 and name HA )) (( segid " " and resid 56 and name HA )) OR { 1747} (( segid " " and resid 52 and name HA )) (( segid " " and resid 32 and name HB2 )) OR { 1747} (( segid " " and resid 52 and name HA )) (( segid " " and resid 54 and name HB2 )) OR { 1747} (( segid " " and resid 52 and name HA )) (( segid " " and resid 54 and name HB1 )) ASSI { 1752} (( segid " " and resid 94 and name HD2 )) (( segid " " and resid 94 and name HG2 )) 1.800 0.300 1.000 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.41626E-01 ppm1 1.726 ppm2 1.473 CV 1 OR { 1752} (( segid " " and resid 2 and name HD1 )) (( segid " " and resid 2 and name HG1 )) OR { 1752} (( segid " " and resid 64 and name HD2 )) (( segid " " and resid 64 and name HG1 )) OR { 1752} (( segid " " and resid 2 and name HD2 )) (( segid " " and resid 2 and name HG2 )) OR { 1752} (( segid " " and resid 141 and name HD2 )) (( segid " " and resid 141 and name HG1 )) OR { 1752} (( segid " " and resid 141 and name HD1 )) (( segid " " and resid 141 and name HG2 )) OR { 1752} (( segid " " and resid 141 and name HD2 )) (( segid " " and resid 141 and name HG2 )) OR { 1752} (( segid " " and resid 141 and name HD1 )) (( segid " " and resid 141 and name HG1 )) OR { 1752} (( segid " " and resid 2 and name HD2 )) (( segid " " and resid 2 and name HG1 )) OR { 1752} (( segid " " and resid 2 and name HD1 )) (( segid " " and resid 2 and name HG2 )) OR { 1752} (( segid " " and resid 64 and name HD1 )) (( segid " " and resid 64 and name HG1 )) OR { 1752} (( segid " " and resid 94 and name HD2 )) (( segid " " and resid 94 and name HG1 )) OR { 1752} (( segid " " and resid 94 and name HD1 )) (( segid " " and resid 94 and name HG2 )) ASSI { 1753} (( segid " " and resid 94 and name HD2 )) (( segid " " and resid 94 and name HG2 )) 1.800 0.300 1.000 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.65421E-01 ppm1 1.758 ppm2 1.544 CV 1 OR { 1753} (( segid " " and resid 2 and name HD1 )) (( segid " " and resid 2 and name HG1 )) OR { 1753} (( segid " " and resid 2 and name HD2 )) (( segid " " and resid 2 and name HG2 )) OR { 1753} (( segid " " and resid 94 and name HD1 )) (( segid " " and resid 94 and name HG1 )) OR { 1753} (( segid " " and resid 124 and name HD1 )) (( segid " " and resid 124 and name HG2 )) OR { 1753} (( segid " " and resid 2 and name HD2 )) (( segid " " and resid 2 and name HG1 )) OR { 1753} (( segid " " and resid 2 and name HD1 )) (( segid " " and resid 2 and name HG2 )) OR { 1753} (( segid " " and resid 124 and name HD2 )) (( segid " " and resid 124 and name HG2 )) OR { 1753} (( segid " " and resid 94 and name HD2 )) (( segid " " and resid 94 and name HG1 )) OR { 1753} (( segid " " and resid 94 and name HD1 )) (( segid " " and resid 94 and name HG2 )) ASSI { 1755} (( segid " " and resid 38 and name HD1 )) (( segid " " and resid 38 and name HE2 )) 2.500 0.800 0.800 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.34636E-02 ppm1 1.652 ppm2 2.944 CV 1 OR { 1755} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 98 and name HE2 )) OR { 1755} (( segid " " and resid 38 and name HD2 )) (( segid " " and resid 38 and name HE1 )) OR { 1755} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 98 and name HE1 )) OR { 1755} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 98 and name HE1 )) OR { 1755} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 98 and name HE2 )) OR { 1755} (( segid " " and resid 38 and name HD1 )) (( segid " " and resid 38 and name HE1 )) ASSI { 1758} (( segid " " and resid 136 and name HG1 )) (( segid " " and resid 136 and name HB1 )) 2.400 0.700 0.700 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.47700E-02 ppm1 2.156 ppm2 2.644 CV 1 OR { 1758} (( segid " " and resid 136 and name HG1 )) (( segid " " and resid 110 and name HB2 )) ASSI { 1759} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 136 and name HB1 )) 2.300 0.700 0.700 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.50802E-02 ppm1 2.057 ppm2 2.642 CV 1 OR { 1759} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 110 and name HB2 )) ASSI { 1768} ( segid " " and resid 81 and name HD2%) ( segid " " and resid 11 and name HG2%) 2.300 0.600 0.600 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.59412E-02 ppm1 0.488 ppm2 0.785 CV 1 OR { 1768} ( segid " " and resid 81 and name HD2%) ( segid " " and resid 74 and name HD1%) OR { 1768} ( segid " " and resid 81 and name HD2%) ( segid " " and resid 137 and name HD2%) ASSI { 1772} (( segid " " and resid 26 and name HG1 )) (( segid " " and resid 26 and name HB2 )) 1.600 0.300 0.600 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.53000E-01 ppm1 1.517 ppm2 1.775 CV 1 OR { 1772} (( segid " " and resid 2 and name HG2 )) (( segid " " and resid 2 and name HB2 )) OR { 1772} (( segid " " and resid 141 and name HG1 )) (( segid " " and resid 141 and name HB2 )) OR { 1772} (( segid " " and resid 2 and name HG1 )) (( segid " " and resid 2 and name HD1 )) OR { 1772} (( segid " " and resid 94 and name HG2 )) (( segid " " and resid 94 and name HB1 )) OR { 1772} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 141 and name HB1 )) OR { 1772} (( segid " " and resid 94 and name HG1 )) (( segid " " and resid 94 and name HB2 )) OR { 1772} (( segid " " and resid 94 and name HG2 )) (( segid " " and resid 94 and name HB2 )) OR { 1772} (( segid " " and resid 2 and name HG2 )) (( segid " " and resid 2 and name HD2 )) OR { 1772} (( segid " " and resid 141 and name HG1 )) (( segid " " and resid 141 and name HD2 )) OR { 1772} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 141 and name HD1 )) OR { 1772} (( segid " " and resid 2 and name HG1 )) (( segid " " and resid 2 and name HB2 )) OR { 1772} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 141 and name HD2 )) OR { 1772} (( segid " " and resid 141 and name HG1 )) (( segid " " and resid 141 and name HD1 )) OR { 1772} (( segid " " and resid 94 and name HG1 )) (( segid " " and resid 94 and name HB1 )) OR { 1772} (( segid " " and resid 2 and name HG1 )) (( segid " " and resid 2 and name HD2 )) OR { 1772} (( segid " " and resid 2 and name HG2 )) (( segid " " and resid 2 and name HD1 )) OR { 1772} (( segid " " and resid 141 and name HG1 )) (( segid " " and resid 141 and name HB1 )) OR { 1772} (( segid " " and resid 94 and name HG1 )) (( segid " " and resid 94 and name HD2 )) OR { 1772} (( segid " " and resid 94 and name HG2 )) (( segid " " and resid 94 and name HD1 )) ASSI { 1773} (( segid " " and resid 26 and name HG1 )) (( segid " " and resid 26 and name HB2 )) 1.600 0.300 1.000 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.44386E-01 ppm1 1.437 ppm2 1.753 CV 1 OR { 1773} (( segid " " and resid 141 and name HG1 )) (( segid " " and resid 141 and name HB2 )) OR { 1773} (( segid " " and resid 94 and name HG2 )) (( segid " " and resid 94 and name HB1 )) OR { 1773} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 141 and name HB1 )) OR { 1773} (( segid " " and resid 94 and name HG1 )) (( segid " " and resid 94 and name HB2 )) OR { 1773} (( segid " " and resid 94 and name HG2 )) (( segid " " and resid 94 and name HB2 )) OR { 1773} (( segid " " and resid 141 and name HG1 )) (( segid " " and resid 141 and name HD2 )) OR { 1773} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 141 and name HD1 )) OR { 1773} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 141 and name HD2 )) OR { 1773} (( segid " " and resid 141 and name HG1 )) (( segid " " and resid 141 and name HD1 )) OR { 1773} (( segid " " and resid 94 and name HG1 )) (( segid " " and resid 94 and name HB1 )) OR { 1773} (( segid " " and resid 141 and name HG1 )) (( segid " " and resid 141 and name HB1 )) OR { 1773} (( segid " " and resid 26 and name HG2 )) (( segid " " and resid 26 and name HB2 )) OR { 1773} (( segid " " and resid 94 and name HG1 )) (( segid " " and resid 94 and name HD2 )) OR { 1773} (( segid " " and resid 94 and name HG2 )) (( segid " " and resid 94 and name HD1 )) ASSI { 1777} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 74 and name HB2 )) 2.000 0.500 0.500 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.12971E-01 ppm1 0.724 ppm2 0.942 CV 1 OR { 1777} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 22 and name HG )) ASSI { 1778} (( segid " " and resid 90 and name HA )) (( segid " " and resid 90 and name HG1 )) 2.800 0.600 0.600 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.60811E-02 ppm1 4.496 ppm2 2.257 CV 1 OR { 1778} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HG2 )) OR { 1778} (( segid " " and resid 90 and name HA )) (( segid " " and resid 91 and name HB2 )) ASSI { 1785} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HA )) 2.100 0.500 0.500 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.95384E-02 ppm1 3.733 ppm2 4.237 CV 1 OR { 1785} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 29 and name HA )) OR { 1785} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 36 and name HA )) ASSI { 1786} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 72 and name HB2 )) 2.100 0.600 0.600 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.91844E-02 ppm1 3.862 ppm2 4.239 CV 1 OR { 1786} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HA )) ASSI { 1787} (( segid " " and resid 100 and name HE1 )) ( segid " " and resid 84 and name HG1%) 2.500 0.800 0.800 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.30113E-02 ppm1 2.930 ppm2 0.962 CV 1 OR { 1787} (( segid " " and resid 100 and name HE2 )) ( segid " " and resid 84 and name HG1%) OR { 1787} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 122 and name HD2%) OR { 1787} (( segid " " and resid 123 and name HB2 )) ( segid " " and resid 122 and name HD1%) OR { 1787} (( segid " " and resid 100 and name HE1 )) ( segid " " and resid 84 and name HG2%) OR { 1787} (( segid " " and resid 100 and name HE1 )) ( segid " " and resid 102 and name HG2%) OR { 1787} (( segid " " and resid 100 and name HE2 )) ( segid " " and resid 102 and name HG2%) OR { 1787} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 49 and name HG2%) ASSI { 1792} (( segid " " and resid 126 and name HA )) ( segid " " and resid 97 and name HD1%) 2.100 0.500 0.500 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.94584E-02 ppm1 4.447 ppm2 0.893 CV 1 OR { 1792} (( segid " " and resid 126 and name HA )) ( segid " " and resid 97 and name HD2%) OR { 1792} (( segid " " and resid 118 and name HA )) ( segid " " and resid 118 and name HG1%) OR { 1792} (( segid " " and resid 80 and name HA )) ( segid " " and resid 80 and name HG2%) OR { 1792} (( segid " " and resid 33 and name HA )) ( segid " " and resid 33 and name HG2%) OR { 1792} (( segid " " and resid 80 and name HA )) ( segid " " and resid 80 and name HG1%) ASSI { 1793} (( segid " " and resid 126 and name HA )) (( segid " " and resid 97 and name HB2 )) 2.600 0.800 0.800 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.27651E-02 ppm1 4.427 ppm2 1.466 CV 1 OR { 1793} (( segid " " and resid 33 and name HA )) (( segid " " and resid 40 and name HB2 )) OR { 1793} (( segid " " and resid 33 and name HA )) ( segid " " and resid 34 and name HB% ) OR { 1793} (( segid " " and resid 80 and name HA )) (( segid " " and resid 81 and name HB2 )) OR { 1793} (( segid " " and resid 118 and name HA )) ( segid " " and resid 34 and name HB% ) OR { 1793} (( segid " " and resid 33 and name HA )) (( segid " " and resid 41 and name HG11)) OR { 1793} (( segid " " and resid 80 and name HA )) (( segid " " and resid 81 and name HG )) OR { 1793} (( segid " " and resid 103 and name HA )) (( segid " " and resid 83 and name HB2 )) OR { 1793} (( segid " " and resid 33 and name HA )) (( segid " " and resid 43 and name HG11)) ASSI { 1794} (( segid " " and resid 99 and name HA )) (( segid " " and resid 127 and name HB1 )) 2.200 0.600 0.600 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.64225E-02 ppm1 5.136 ppm2 3.196 CV 1 OR { 1794} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HB1 )) OR { 1794} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HB2 )) ASSI { 1797} ( segid " " and resid 41 and name HG2%) ( segid " " and resid 58 and name HG2%) 2.500 0.800 0.800 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.35937E-02 ppm1 0.817 ppm2 1.090 CV 1 OR { 1797} ( segid " " and resid 41 and name HG2%) ( segid " " and resid 33 and name HG1%) OR { 1797} ( segid " " and resid 41 and name HG2%) ( segid " " and resid 129 and name HD2%) ASSI { 1798} ( segid " " and resid 41 and name HG2%) (( segid " " and resid 43 and name HG12)) 2.100 0.600 0.600 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.93951E-02 ppm1 0.814 ppm2 0.714 CV 1 OR { 1798} ( segid " " and resid 41 and name HG2%) ( segid " " and resid 129 and name HD1%) OR { 1798} ( segid " " and resid 41 and name HG2%) ( segid " " and resid 40 and name HD1%) ASSI { 1814} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 105 and name HA )) 2.700 0.900 0.900 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.18941E-02 ppm1 0.200 ppm2 5.527 CV 1 OR { 1814} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 132 and name HA )) OR { 1814} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 131 and name HA )) ASSI { 1815} ( segid " " and resid 43 and name HG2%) (( segid " " and resid 114 and name HD22)) 2.700 2.700 3.300 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.22335E-02 ppm1 0.686 ppm2 7.420 CV 1 OR { 1815} ( segid " " and resid 43 and name HG2%) (( segid " " and resid 71 and name HN )) ASSI { 1822} ( segid " " and resid 89 and name HB% ) (( segid " " and resid 66 and name HA )) 2.800 1.000 1.000 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.15511E-02 ppm1 1.724 ppm2 4.557 CV 1 OR { 1822} ( segid " " and resid 89 and name HB% ) (( segid " " and resid 90 and name HA )) ASSI { 1823} ( segid " " and resid 89 and name HB% ) (( segid " " and resid 90 and name HG1 )) 3.700 1.000 2.300 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.22643E-02 ppm1 1.721 ppm2 2.256 CV 1 OR { 1823} ( segid " " and resid 89 and name HB% ) (( segid " " and resid 91 and name HB2 )) OR { 1823} ( segid " " and resid 89 and name HB% ) (( segid " " and resid 92 and name HG2 )) ASSI { 1824} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HA )) 2.800 1.000 1.000 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.15709E-02 ppm1 2.031 ppm2 4.772 CV 1 OR { 1824} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 110 and name HA )) ASSI { 1827} ( segid " " and resid 81 and name HD2%) ( segid " " and resid 76 and name HD% ) 2.700 0.900 0.900 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.21356E-02 ppm1 0.490 ppm2 6.929 CV 1 OR { 1827} ( segid " " and resid 81 and name HD2%) ( segid " " and resid 20 and name HE% ) ASSI { 1832} ( segid " " and resid 43 and name HD1%) ( segid " " and resid 131 and name HD% ) 2.400 0.700 0.700 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.38262E-02 ppm1 0.135 ppm2 7.104 CV 1 OR { 1832} ( segid " " and resid 41 and name HD1%) ( segid " " and resid 131 and name HD% ) ASSI { 1841} (( segid " " and resid 103 and name HG12)) (( segid " " and resid 131 and name HB1 )) 2.800 1.000 1.000 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.15333E-02 ppm1 0.464 ppm2 2.936 CV 1 OR { 1841} (( segid " " and resid 41 and name HG12)) (( segid " " and resid 60 and name HB2 )) OR { 1841} (( segid " " and resid 41 and name HG12)) (( segid " " and resid 119 and name HB2 )) ASSI { 1843} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 20 and name HB1 )) 2.800 1.000 1.000 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.16582E-02 ppm1 0.590 ppm2 3.071 CV 1 OR { 1843} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 99 and name HB1 )) OR { 1843} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 99 and name HB2 )) OR { 1843} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 127 and name HB1 )) ASSI { 1844} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 75 and name HN )) 2.900 1.000 1.000 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.14551E-02 ppm1 0.594 ppm2 9.110 CV 1 OR { 1844} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 59 and name HN )) OR { 1844} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 131 and name HN )) OR { 1844} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 101 and name HN )) ASSI { 1848} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 21 and name HB1 )) 2.700 0.900 0.900 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.19840E-02 ppm1 0.781 ppm2 3.031 CV 1 OR { 1848} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 20 and name HB1 )) OR { 1848} ( segid " " and resid 137 and name HD2%) (( segid " " and resid 21 and name HB1 )) OR { 1848} ( segid " " and resid 137 and name HD2%) (( segid " " and resid 23 and name HB1 )) OR { 1848} ( segid " " and resid 137 and name HD2%) (( segid " " and resid 114 and name HB1 )) OR { 1848} ( segid " " and resid 137 and name HD2%) (( segid " " and resid 115 and name HB2 )) OR { 1848} ( segid " " and resid 137 and name HD2%) (( segid " " and resid 20 and name HB1 )) OR { 1848} ( segid " " and resid 137 and name HD2%) (( segid " " and resid 139 and name HB2 )) ASSI { 1849} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 99 and name HB1 )) 2.700 0.900 0.900 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.18983E-02 ppm1 1.079 ppm2 3.104 CV 1 OR { 1849} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 127 and name HB1 )) ASSI { 1851} ( segid " " and resid 129 and name HD2%) ( segid " " and resid 130 and name HD% ) 2.700 2.700 3.300 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.19318E-02 ppm1 1.081 ppm2 7.104 CV 1 OR { 1851} ( segid " " and resid 129 and name HD2%) ( segid " " and resid 131 and name HD% ) ASSI { 1853} (( segid " " and resid 64 and name HG2 )) ( segid " " and resid 63 and name HG2%) 2.000 2.000 4.000 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.11207E-01 ppm1 1.415 ppm2 1.263 CV 1 OR { 1853} (( segid " " and resid 64 and name HG1 )) ( segid " " and resid 63 and name HG2%) OR { 1853} (( segid " " and resid 64 and name HG1 )) ( segid " " and resid 56 and name HG1%) OR { 1853} (( segid " " and resid 64 and name HG2 )) ( segid " " and resid 56 and name HG1%) OR { 1853} (( segid " " and resid 64 and name HG2 )) ( segid " " and resid 67 and name HB% ) ASSI { 1859} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 52 and name HA )) 2.800 1.000 1.000 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.15855E-02 ppm1 1.195 ppm2 5.348 CV 1 OR { 1859} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 43 and name HA )) ASSI { 1860} ( segid " " and resid 122 and name HD2%) ( segid " " and resid 99 and name HE% ) 2.200 0.600 0.600 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.66946E-02 ppm1 0.897 ppm2 6.834 CV 1 OR { 1860} ( segid " " and resid 122 and name HD2%) ( segid " " and resid 119 and name HE% ) ASSI { 1863} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 81 and name HB1 )) 2.700 0.900 0.900 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.19763E-02 ppm1 -0.276 ppm2 1.742 CV 1 OR { 1863} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 83 and name HG )) ASSI { 1866} ( segid " " and resid 74 and name HD1%) ( segid " " and resid 105 and name HD% ) 2.700 0.900 0.900 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.20072E-02 ppm1 0.712 ppm2 6.720 CV 1 OR { 1866} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 10 and name HE22)) ASSI { 1867} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 10 and name HE21)) 2.900 1.000 1.000 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.14308E-02 ppm1 0.745 ppm2 7.232 CV 1 OR { 1867} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 23 and name HD21)) ASSI { 1868} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 20 and name HB1 )) 2.800 1.000 1.000 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.16971E-02 ppm1 0.735 ppm2 2.998 CV 1 OR { 1868} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 42 and name HB2 )) OR { 1868} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 42 and name HB1 )) OR { 1868} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 21 and name HB1 )) OR { 1868} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 20 and name HB1 )) OR { 1868} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 8 and name HB2 )) OR { 1868} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 64 and name HE2 )) OR { 1868} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 64 and name HE1 )) OR { 1868} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 8 and name HB1 )) OR { 1868} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 31 and name HB2 )) OR { 1868} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 46 and name HB2 )) OR { 1868} ( segid " " and resid 19 and name HD2%) (( segid " " and resid 4 and name HB1 )) ASSI { 1870} ( segid " " and resid 11 and name HG1%) (( segid " " and resid 4 and name HB1 )) 2.800 2.800 3.200 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.15147E-02 ppm1 1.373 ppm2 2.959 CV 1 OR { 1870} ( segid " " and resid 11 and name HG1%) (( segid " " and resid 4 and name HB2 )) OR { 1870} ( segid " " and resid 11 and name HG1%) (( segid " " and resid 21 and name HB1 )) ASSI { 1874} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 84 and name HN )) 2.800 1.000 1.000 peak 1874 spectrum 1 weight 0.10000E+01 volume 0.18213E-02 ppm1 1.136 ppm2 9.608 CV 1 OR { 1874} ( segid " " and resid 83 and name HD2%) (( segid " " and resid 9 and name HN )) ASSI { 1875} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 133 and name HD1 )) 2.900 2.900 3.100 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.14883E-02 ppm1 -0.019 ppm2 6.957 CV 1 OR { 1875} ( segid " " and resid 22 and name HD2%) ( segid " " and resid 20 and name HE% ) OR { 1875} ( segid " " and resid 22 and name HD2%) ( segid " " and resid 76 and name HD% ) ASSI { 1877} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 21 and name HN )) 2.800 1.000 1.000 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.15701E-02 ppm1 -0.016 ppm2 8.504 CV 1 OR { 1877} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 137 and name HN )) ASSI { 1884} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HN )) 2.700 0.900 0.900 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.19542E-02 ppm1 1.045 ppm2 7.549 CV 1 OR { 1884} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 139 and name HN )) ASSI { 1885} ( segid " " and resid 25 and name HD2%) (( segid " " and resid 114 and name HD22)) 4.000 2.200 2.000 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.19890E-02 ppm1 0.617 ppm2 7.547 CV 1 OR { 1885} ( segid " " and resid 25 and name HD2%) (( segid " " and resid 26 and name HN )) ASSI { 1889} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 68 and name HN )) 2.800 1.000 1.000 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.16002E-02 ppm1 1.207 ppm2 8.823 CV 1 OR { 1889} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 99 and name HN )) ASSI { 1891} ( segid " " and resid 41 and name HG2%) ( segid " " and resid 60 and name HD% ) 2.800 1.000 1.000 peak 1891 spectrum 1 weight 0.10000E+01 volume 0.18356E-02 ppm1 0.815 ppm2 6.808 CV 1 OR { 1891} ( segid " " and resid 41 and name HG2%) ( segid " " and resid 60 and name HE% ) OR { 1891} ( segid " " and resid 41 and name HG2%) ( segid " " and resid 119 and name HD% ) OR { 1891} ( segid " " and resid 41 and name HG2%) ( segid " " and resid 35 and name HD% ) ASSI { 1892} ( segid " " and resid 96 and name HB% ) (( segid " " and resid 97 and name HA )) 2.800 1.000 1.000 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.16406E-02 ppm1 1.419 ppm2 4.584 CV 1 OR { 1892} ( segid " " and resid 96 and name HB% ) (( segid " " and resid 92 and name HA )) ASSI { 1894} (( segid " " and resid 101 and name HA )) (( segid " " and resid 128 and name HA )) 2.900 1.100 1.100 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.13072E-02 ppm1 5.861 ppm2 5.310 CV 1 OR { 1894} (( segid " " and resid 101 and name HA )) (( segid " " and resid 100 and name HA )) ASSI { 1897} (( segid " " and resid 103 and name HA )) ( segid " " and resid 103 and name HG2%) 2.300 0.700 0.700 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.55047E-02 ppm1 4.456 ppm2 0.225 CV 1 OR { 1897} (( segid " " and resid 80 and name HA )) ( segid " " and resid 81 and name HD1%) ASSI { 1902} ( segid " " and resid 45 and name HG2%) ( segid " " and resid 31 and name HD% ) 2.800 2.800 3.200 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.16721E-02 ppm1 0.816 ppm2 7.220 CV 1 OR { 1902} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 133 and name HZ2 )) OR { 1902} ( segid " " and resid 45 and name HG2%) (( segid " " and resid 23 and name HD21)) ASSI { 1917} (( segid " " and resid 52 and name HA )) (( segid " " and resid 53 and name HB2 )) 2.400 2.400 3.600 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.42395E-02 ppm1 5.343 ppm2 1.887 CV 1 OR { 1917} (( segid " " and resid 52 and name HA )) (( segid " " and resid 58 and name HB )) ASSI { 1922} ( segid " " and resid 135 and name HG2%) ( segid " " and resid 137 and name HD2%) 2.400 0.700 0.700 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.46451E-02 ppm1 1.068 ppm2 0.813 CV 1 OR { 1922} ( segid " " and resid 108 and name HG2%) ( segid " " and resid 106 and name HG1%) OR { 1922} ( segid " " and resid 135 and name HG2%) ( segid " " and resid 106 and name HG1%) ASSI { 1923} ( segid " " and resid 81 and name HD2%) (( segid " " and resid 82 and name HN )) 2.900 2.900 3.100 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.12927E-02 ppm1 0.490 ppm2 9.359 CV 1 OR { 1923} ( segid " " and resid 81 and name HD2%) (( segid " " and resid 20 and name HN )) ASSI { 1924} ( segid " " and resid 25 and name HD1%) ( segid " " and resid 135 and name HG2%) 2.600 0.900 0.900 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.24700E-02 ppm1 -0.040 ppm2 1.084 CV 1 OR { 1924} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 22 and name HG )) ASSI { 1925} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 25 and name HB2 )) 2.400 0.700 0.700 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.44567E-02 ppm1 -0.040 ppm2 1.444 CV 1 OR { 1925} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 22 and name HB2 )) ASSI { 1927} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 9 and name HB2 )) 2.900 2.900 3.100 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.13872E-02 ppm1 0.589 ppm2 3.747 CV 1 OR { 1927} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 101 and name HB2 )) OR { 1927} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 128 and name HB )) OR { 1927} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 101 and name HB1 )) OR { 1927} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 121 and name HB1 )) OR { 1927} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 12 and name HB )) OR { 1927} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 121 and name HB2 )) OR { 1927} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 120 and name HA )) ASSI { 1928} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 129 and name HB2 )) 2.300 0.600 0.600 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.61965E-02 ppm1 0.662 ppm2 1.560 CV 1 OR { 1928} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 122 and name HG )) OR { 1928} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 81 and name HB2 )) OR { 1928} ( segid " " and resid 129 and name HD1%) (( segid " " and resid 41 and name HB )) ASSI { 1929} (( segid " " and resid 43 and name HG11)) ( segid " " and resid 58 and name HG1%) 2.600 0.800 0.800 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.26194E-02 ppm1 1.423 ppm2 0.846 CV 1 OR { 1929} (( segid " " and resid 43 and name HG11)) ( segid " " and resid 41 and name HG2%) OR { 1929} (( segid " " and resid 43 and name HG11)) ( segid " " and resid 33 and name HG2%) ASSI { 1930} (( segid " " and resid 43 and name HG11)) (( segid " " and resid 43 and name HA )) 2.900 1.100 1.100 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.13553E-02 ppm1 1.417 ppm2 5.435 CV 1 OR { 1930} (( segid " " and resid 43 and name HG11)) (( segid " " and resid 32 and name HA )) ASSI { 1933} ( segid " " and resid 129 and name HD2%) ( segid " " and resid 128 and name HG2%) 2.700 2.700 3.300 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.18724E-02 ppm1 1.085 ppm2 0.539 CV 1 OR { 1933} ( segid " " and resid 129 and name HD2%) ( segid " " and resid 65 and name HG2%) ASSI { 1934} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 127 and name HA )) 2.900 1.100 1.100 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.12587E-02 ppm1 1.074 ppm2 3.671 CV 1 OR { 1934} ( segid " " and resid 129 and name HD2%) (( segid " " and resid 128 and name HB )) ASSI { 1946} ( segid " " and resid 138 and name HB% ) ( segid " " and resid 81 and name HD2%) 2.600 0.800 0.800 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.25704E-02 ppm1 1.205 ppm2 0.496 CV 1 OR { 1946} ( segid " " and resid 67 and name HB% ) (( segid " " and resid 41 and name HG12)) ASSI { 1952} ( segid " " and resid 84 and name HG1%) ( segid " " and resid 102 and name HG1%) 1.900 0.400 0.400 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.18078E-01 ppm1 0.915 ppm2 0.741 CV 1 OR { 1952} ( segid " " and resid 84 and name HG2%) ( segid " " and resid 102 and name HG1%) OR { 1952} ( segid " " and resid 12 and name HG2%) ( segid " " and resid 19 and name HD2%) OR { 1952} ( segid " " and resid 33 and name HG2%) ( segid " " and resid 41 and name HG2%) OR { 1952} ( segid " " and resid 33 and name HG2%) ( segid " " and resid 43 and name HG2%) OR { 1952} ( segid " " and resid 33 and name HG2%) ( segid " " and resid 40 and name HD1%) OR { 1952} ( segid " " and resid 118 and name HG2%) ( segid " " and resid 120 and name HG1%) ASSI { 1953} (( segid " " and resid 12 and name HB )) ( segid " " and resid 19 and name HD2%) 2.900 1.000 1.000 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.13992E-02 ppm1 3.759 ppm2 0.742 CV 1 OR { 1953} (( segid " " and resid 128 and name HB )) ( segid " " and resid 102 and name HG1%) OR { 1953} (( segid " " and resid 12 and name HB )) ( segid " " and resid 11 and name HG2%) OR { 1953} (( segid " " and resid 128 and name HB )) ( segid " " and resid 129 and name HD1%) ASSI { 1957} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 133 and name HD1 )) 2.700 0.900 0.900 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.20432E-02 ppm1 1.078 ppm2 6.980 CV 1 OR { 1957} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 115 and name HD21)) ASSI { 1961} ( segid " " and resid 128 and name HG2%) (( segid " " and resid 129 and name HB1 )) 2.800 2.800 3.200 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.16447E-02 ppm1 0.505 ppm2 2.331 CV 1 OR { 1961} ( segid " " and resid 128 and name HG2%) (( segid " " and resid 125 and name HB2 )) ASSI { 1962} (( segid " " and resid 112 and name HA2 )) (( segid " " and resid 112 and name HA1 )) 1.600 0.300 0.600 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.40952E-01 ppm1 3.943 ppm2 4.197 CV 1 OR { 1962} (( segid " " and resid 30 and name HA1 )) (( segid " " and resid 30 and name HA2 )) ASSI { 1967} ( segid " " and resid 40 and name HD2%) (( segid " " and resid 40 and name HB1 )) 2.000 0.500 0.500 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.13989E-01 ppm1 0.830 ppm2 1.050 CV 1 OR { 1967} ( segid " " and resid 122 and name HD2%) ( segid " " and resid 129 and name HD2%) ASSI { 1972} ( segid " " and resid 97 and name HD2%) (( segid " " and resid 95 and name HB1 )) 2.800 1.000 1.000 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.17037E-02 ppm1 0.960 ppm2 2.939 CV 1 OR { 1972} ( segid " " and resid 122 and name HD1%) (( segid " " and resid 123 and name HB2 )) OR { 1972} ( segid " " and resid 97 and name HD2%) (( segid " " and resid 98 and name HE2 )) OR { 1972} ( segid " " and resid 97 and name HD2%) (( segid " " and resid 98 and name HE1 )) OR { 1972} ( segid " " and resid 97 and name HD2%) (( segid " " and resid 100 and name HE2 )) ASSI { 1975} ( segid " " and resid 137 and name HD1%) ( segid " " and resid 137 and name HD2%) 1.700 0.400 0.500 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.30387E-01 ppm1 0.958 ppm2 0.794 CV 1 OR { 1975} ( segid " " and resid 58 and name HG1%) ( segid " " and resid 41 and name HG2%) ASSI { 1978} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HN )) 2.600 0.900 0.900 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.23485E-02 ppm1 4.322 ppm2 7.877 CV 1 OR { 1978} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HN )) ASSI { 1982} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 9 and name HB1 )) 2.600 0.800 0.800 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.28662E-02 ppm1 3.906 ppm2 2.835 CV 1 OR { 1982} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 70 and name HB1 )) OR { 1982} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 85 and name HB2 )) OR { 1982} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 7 and name HB1 )) OR { 1982} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 70 and name HB1 )) OR { 1982} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 86 and name HB2 )) OR { 1982} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 86 and name HB1 )) OR { 1982} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 85 and name HB2 )) OR { 1982} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 7 and name HB2 )) ASSI { 1988} (( segid " " and resid 82 and name HB2 )) ( segid " " and resid 80 and name HG1%) 2.700 0.900 0.900 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.19931E-02 ppm1 1.785 ppm2 0.952 CV 1 OR { 1988} (( segid " " and resid 82 and name HB2 )) ( segid " " and resid 84 and name HG2%) ASSI { 1990} (( segid " " and resid 14 and name HB2 )) ( segid " " and resid 76 and name HD% ) 2.800 2.800 3.200 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.17970E-02 ppm1 2.060 ppm2 6.974 CV 1 OR { 1990} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 133 and name HD1 )) OR { 1990} (( segid " " and resid 136 and name HB2 )) ( segid " " and resid 20 and name HE% ) OR { 1990} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 115 and name HD21)) ASSI { 1993} (( segid " " and resid 26 and name HE2 )) (( segid " " and resid 23 and name HB1 )) 1.700 1.700 4.300 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.36738E-01 ppm1 2.982 ppm2 3.141 CV 1 OR { 1993} (( segid " " and resid 26 and name HE1 )) (( segid " " and resid 23 and name HB1 )) OR { 1993} (( segid " " and resid 98 and name HE1 )) (( segid " " and resid 87 and name HB1 )) OR { 1993} (( segid " " and resid 98 and name HE2 )) (( segid " " and resid 87 and name HB1 )) OR { 1993} (( segid " " and resid 100 and name HE2 )) (( segid " " and resid 123 and name HB1 )) OR { 1993} (( segid " " and resid 100 and name HE1 )) (( segid " " and resid 123 and name HB1 )) OR { 1993} (( segid " " and resid 100 and name HE2 )) (( segid " " and resid 127 and name HB1 )) OR { 1993} (( segid " " and resid 100 and name HE1 )) (( segid " " and resid 127 and name HB1 )) OR { 1993} (( segid " " and resid 141 and name HE2 )) (( segid " " and resid 139 and name HB2 )) OR { 1993} (( segid " " and resid 100 and name HE2 )) (( segid " " and resid 68 and name HA1 )) OR { 1993} (( segid " " and resid 141 and name HE1 )) (( segid " " and resid 139 and name HB2 )) OR { 1993} (( segid " " and resid 100 and name HE1 )) (( segid " " and resid 68 and name HA1 )) OR { 1993} (( segid " " and resid 98 and name HE1 )) (( segid " " and resid 127 and name HB1 )) OR { 1993} (( segid " " and resid 98 and name HE2 )) (( segid " " and resid 127 and name HB1 )) OR { 1993} (( segid " " and resid 100 and name HE2 )) (( segid " " and resid 99 and name HB1 )) OR { 1993} (( segid " " and resid 98 and name HE1 )) (( segid " " and resid 99 and name HB2 )) OR { 1993} (( segid " " and resid 100 and name HE1 )) (( segid " " and resid 99 and name HB1 )) OR { 1993} (( segid " " and resid 98 and name HE2 )) (( segid " " and resid 99 and name HB2 )) OR { 1993} (( segid " " and resid 100 and name HE2 )) (( segid " " and resid 99 and name HB2 )) ASSI { 1997} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB1 )) 2.500 0.800 0.800 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.31579E-02 ppm1 4.357 ppm2 1.966 CV 1 OR { 1997} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB1 )) ASSI { 1999} (( segid " " and resid 45 and name HA )) (( segid " " and resid 103 and name HB )) 2.600 2.600 3.400 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.29112E-02 ppm1 4.354 ppm2 1.598 CV 1 OR { 1999} (( segid " " and resid 62 and name HA )) ( segid " " and resid 34 and name HB% ) OR { 1999} (( segid " " and resid 26 and name HA )) (( segid " " and resid 51 and name HB2 )) OR { 1999} (( segid " " and resid 62 and name HA )) (( segid " " and resid 41 and name HB )) OR { 1999} (( segid " " and resid 45 and name HA )) (( segid " " and resid 51 and name HB2 )) OR { 1999} (( segid " " and resid 45 and name HA )) (( segid " " and resid 117 and name HB1 )) OR { 1999} (( segid " " and resid 45 and name HA )) (( segid " " and resid 117 and name HG1 )) OR { 1999} (( segid " " and resid 45 and name HA )) (( segid " " and resid 129 and name HB2 )) OR { 1999} (( segid " " and resid 45 and name HA )) (( segid " " and resid 41 and name HB )) OR { 1999} (( segid " " and resid 26 and name HA )) (( segid " " and resid 117 and name HG1 )) ASSI { 2000} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 124 and name HE1 )) 2.800 1.000 1.000 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.16468E-02 ppm1 1.941 ppm2 3.150 CV 1 OR { 2000} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 124 and name HE2 )) OR { 2000} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 124 and name HE2 )) OR { 2000} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 124 and name HE1 )) OR { 2000} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 66 and name HB2 )) OR { 2000} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 23 and name HB1 )) ASSI { 2001} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 124 and name HE1 )) 2.900 1.000 1.000 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.14403E-02 ppm1 1.926 ppm2 3.157 CV 1 OR { 2001} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 124 and name HE2 )) OR { 2001} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 124 and name HE2 )) OR { 2001} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 124 and name HE1 )) OR { 2001} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 66 and name HB2 )) ASSI { 2002} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 124 and name HE1 )) 2.600 0.900 0.900 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.23510E-02 ppm1 1.990 ppm2 3.144 CV 1 OR { 2002} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 124 and name HE2 )) OR { 2002} (( segid " " and resid 124 and name HB1 )) (( segid " " and resid 124 and name HE2 )) OR { 2002} (( segid " " and resid 124 and name HB2 )) (( segid " " and resid 124 and name HE1 )) OR { 2002} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 139 and name HB2 )) OR { 2002} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 23 and name HB1 )) ASSI { 2004} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 97 and name HB2 )) 2.000 2.000 4.000 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.11233E-01 ppm1 1.608 ppm2 1.455 CV 1 OR { 2004} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 97 and name HB2 )) OR { 2004} (( segid " " and resid 98 and name HD1 )) ( segid " " and resid 96 and name HB% ) OR { 2004} (( segid " " and resid 98 and name HD2 )) ( segid " " and resid 96 and name HB% ) OR { 2004} (( segid " " and resid 100 and name HD2 )) (( segid " " and resid 83 and name HB2 )) OR { 2004} (( segid " " and resid 100 and name HD2 )) (( segid " " and resid 83 and name HB1 )) OR { 2004} (( segid " " and resid 100 and name HD1 )) (( segid " " and resid 83 and name HB2 )) OR { 2004} (( segid " " and resid 38 and name HD1 )) ( segid " " and resid 34 and name HB% ) OR { 2004} (( segid " " and resid 100 and name HD2 )) (( segid " " and resid 97 and name HB2 )) OR { 2004} (( segid " " and resid 100 and name HD1 )) (( segid " " and resid 83 and name HB1 )) OR { 2004} (( segid " " and resid 100 and name HD1 )) (( segid " " and resid 97 and name HB2 )) OR { 2004} (( segid " " and resid 38 and name HD2 )) ( segid " " and resid 34 and name HB% ) OR { 2004} (( segid " " and resid 100 and name HD1 )) (( segid " " and resid 122 and name HG )) OR { 2004} (( segid " " and resid 38 and name HD1 )) (( segid " " and resid 40 and name HG )) OR { 2004} (( segid " " and resid 38 and name HD1 )) (( segid " " and resid 41 and name HG11)) OR { 2004} (( segid " " and resid 38 and name HD1 )) (( segid " " and resid 40 and name HB2 )) OR { 2004} (( segid " " and resid 38 and name HD2 )) (( segid " " and resid 40 and name HG )) OR { 2004} (( segid " " and resid 100 and name HD2 )) (( segid " " and resid 122 and name HG )) ASSI { 2005} (( segid " " and resid 98 and name HB1 )) (( segid " " and resid 97 and name HB2 )) 2.600 2.600 3.400 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.24245E-02 ppm1 1.612 ppm2 1.440 CV 1 OR { 2005} (( segid " " and resid 98 and name HB1 )) ( segid " " and resid 96 and name HB% ) ASSI { 2006} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 122 and name HA )) 2.900 2.900 3.100 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.13550E-02 ppm1 1.581 ppm2 5.281 CV 1 OR { 2006} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 128 and name HA )) OR { 2006} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 100 and name HA )) ASSI { 2009} ( segid " " and resid 33 and name HG1%) (( segid " " and resid 131 and name HA )) 2.900 1.000 1.000 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.13618E-02 ppm1 1.064 ppm2 5.514 CV 1 OR { 2009} ( segid " " and resid 33 and name HG1%) (( segid " " and resid 32 and name HA )) ASSI { 2010} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 20 and name HB2 )) 2.900 2.900 3.100 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.13799E-02 ppm1 -0.280 ppm2 2.732 CV 1 OR { 2010} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 9 and name HB1 )) OR { 2010} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 75 and name HG2 )) ASSI { 2011} (( segid " " and resid 45 and name HG11)) ( segid " " and resid 31 and name HD% ) 2.800 1.000 1.000 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.17790E-02 ppm1 1.846 ppm2 7.211 CV 1 OR { 2011} (( segid " " and resid 45 and name HG11)) (( segid " " and resid 133 and name HZ2 )) ASSI { 2016} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 74 and name HA )) 2.200 0.600 0.600 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.63146E-02 ppm1 0.714 ppm2 4.476 CV 1 OR { 2016} ( segid " " and resid 40 and name HD1%) (( segid " " and resid 41 and name HA )) ASSI { 2018} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 114 and name HA )) 2.700 2.700 3.300 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.18843E-02 ppm1 0.901 ppm2 4.885 CV 1 OR { 2018} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 129 and name HA )) OR { 2018} ( segid " " and resid 56 and name HG2%) (( segid " " and resid 70 and name HA )) OR { 2018} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 139 and name HA )) OR { 2018} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 70 and name HA )) OR { 2018} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 40 and name HA )) OR { 2018} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 109 and name HA )) OR { 2018} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 84 and name HA )) OR { 2018} ( segid " " and resid 137 and name HD1%) (( segid " " and resid 133 and name HA )) ASSI { 2024} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 25 and name HG )) 2.400 0.700 0.700 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.40622E-02 ppm1 -0.046 ppm2 1.265 CV 1 OR { 2024} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 22 and name HB1 )) ASSI { 2034} ( segid " " and resid 31 and name HD% ) (( segid " " and resid 45 and name HG11)) 2.900 1.100 1.100 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.13317E-02 ppm1 7.232 ppm2 1.869 CV 1 OR { 2034} ( segid " " and resid 99 and name HD% ) (( segid " " and resid 94 and name HB2 )) OR { 2034} ( segid " " and resid 99 and name HD% ) (( segid " " and resid 98 and name HB2 )) OR { 2034} ( segid " " and resid 99 and name HD% ) (( segid " " and resid 90 and name HB2 )) OR { 2034} ( segid " " and resid 99 and name HD% ) (( segid " " and resid 94 and name HB1 )) ASSI { 2043} ( segid " " and resid 76 and name HD% ) (( segid " " and resid 76 and name HN )) 2.900 2.900 3.100 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.14556E-02 ppm1 6.891 ppm2 9.000 CV 1 OR { 2043} ( segid " " and resid 76 and name HD% ) (( segid " " and resid 78 and name HN )) ASSI { 2044} ( segid " " and resid 76 and name HD% ) (( segid " " and resid 13 and name HA )) 2.800 1.000 1.000 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.16472E-02 ppm1 6.890 ppm2 4.411 CV 1 OR { 2044} ( segid " " and resid 76 and name HD% ) (( segid " " and resid 80 and name HA )) ASSI { 2047} ( segid " " and resid 99 and name HE% ) ( segid " " and resid 41 and name HD1%) 2.900 2.900 3.100 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.13210E-02 ppm1 6.816 ppm2 0.201 CV 1 OR { 2047} ( segid " " and resid 42 and name HE% ) ( segid " " and resid 41 and name HD1%) ASSI { 2048} ( segid " " and resid 42 and name HE% ) ( segid " " and resid 40 and name HD1%) 2.900 1.100 1.100 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.12860E-02 ppm1 6.821 ppm2 0.712 CV 1 OR { 2048} ( segid " " and resid 99 and name HE% ) ( segid " " and resid 65 and name HD1%) OR { 2048} ( segid " " and resid 99 and name HE% ) (( segid " " and resid 65 and name HB )) ASSI { 2050} ( segid " " and resid 42 and name HE% ) (( segid " " and resid 61 and name HA2 )) 3.300 1.000 1.000 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.22120E-02 ppm1 6.818 ppm2 4.170 CV 1 OR { 2050} ( segid " " and resid 99 and name HE% ) (( segid " " and resid 92 and name HD1 )) ASSI { 2051} ( segid " " and resid 60 and name HD% ) ( segid " " and resid 67 and name HB% ) 2.700 0.900 0.900 peak 2051 spectrum 1 weight 0.10000E+01 volume 0.21273E-02 ppm1 6.800 ppm2 1.229 CV 1 OR { 2051} ( segid " " and resid 60 and name HD% ) ( segid " " and resid 63 and name HG2%) ASSI { 2060} (( segid " " and resid 133 and name HH2 )) (( segid " " and resid 133 and name HZ2 )) 2.600 0.900 0.900 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.24151E-02 ppm1 6.036 ppm2 7.193 CV 1 OR { 2060} (( segid " " and resid 133 and name HH2 )) ( segid " " and resid 31 and name HD% ) ASSI { 2061} (( segid " " and resid 133 and name HH2 )) ( segid " " and resid 25 and name HD2%) 2.900 1.000 1.000 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.14872E-02 ppm1 6.025 ppm2 0.673 CV 1 OR { 2061} (( segid " " and resid 133 and name HH2 )) ( segid " " and resid 43 and name HG2%) ASSI { 2069} (( segid " " and resid 133 and name HD1 )) ( segid " " and resid 135 and name HG2%) 2.900 1.000 1.000 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.14674E-02 ppm1 6.966 ppm2 1.107 CV 1 OR { 2069} (( segid " " and resid 133 and name HD1 )) ( segid " " and resid 108 and name HG2%) ASSI { 2071} (( segid " " and resid 42 and name HB1 )) ( segid " " and resid 49 and name HG2%) 2.800 1.000 1.000 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.17312E-02 ppm1 2.935 ppm2 1.065 CV 1 OR { 2071} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 49 and name HG2%) OR { 2071} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 58 and name HG2%) OR { 2071} (( segid " " and resid 42 and name HB1 )) ( segid " " and resid 58 and name HG2%) OR { 2071} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 83 and name HD2%) OR { 2071} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 40 and name HB1 )) OR { 2071} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 58 and name HG2%) ASSI { 2072} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 52 and name HA )) 2.700 0.900 0.900 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.20991E-02 ppm1 2.949 ppm2 5.432 CV 1 OR { 2072} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 32 and name HA )) OR { 2072} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 52 and name HA )) OR { 2072} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 43 and name HA )) OR { 2072} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 43 and name HA )) OR { 2072} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 32 and name HA )) OR { 2072} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 58 and name HA )) ASSI { 2074} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 76 and name HA )) 2.800 1.000 1.000 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.15841E-02 ppm1 0.859 ppm2 4.864 CV 1 OR { 2074} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 40 and name HA )) OR { 2074} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 76 and name HA )) OR { 2074} ( segid " " and resid 120 and name HG1%) (( segid " " and resid 129 and name HA )) OR { 2074} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 133 and name HA )) OR { 2074} ( segid " " and resid 106 and name HG1%) (( segid " " and resid 139 and name HA )) OR { 2074} ( segid " " and resid 12 and name HG2%) (( segid " " and resid 4 and name HA )) OR { 2074} ( segid " " and resid 106 and name HG1%) (( segid " " and resid 133 and name HA )) OR { 2074} ( segid " " and resid 120 and name HG1%) (( segid " " and resid 133 and name HA )) OR { 2074} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 133 and name HA )) OR { 2074} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 139 and name HA )) OR { 2074} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 133 and name HA )) OR { 2074} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 83 and name HA )) OR { 2074} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 129 and name HA )) OR { 2074} ( segid " " and resid 106 and name HG1%) (( segid " " and resid 109 and name HA )) OR { 2074} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 139 and name HA )) OR { 2074} ( segid " " and resid 33 and name HG2%) (( segid " " and resid 44 and name HA1 )) ASSI { 2077} ( segid " " and resid 58 and name HG1%) ( segid " " and resid 43 and name HD1%) 2.700 0.900 0.900 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.22150E-02 ppm1 0.892 ppm2 0.079 CV 1 OR { 2077} ( segid " " and resid 58 and name HG1%) ( segid " " and resid 41 and name HD1%) ASSI { 2082} (( segid " " and resid 57 and name HA1 )) (( segid " " and resid 70 and name HB2 )) 2.700 2.700 3.300 peak 2082 spectrum 1 weight 0.10000E+01 volume 0.20485E-02 ppm1 4.449 ppm2 2.376 CV 1 OR { 2082} (( segid " " and resid 57 and name HA1 )) (( segid " " and resid 56 and name HB )) ASSI { 2084} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 53 and name HB2 )) 3.000 0.900 1.000 peak 2084 spectrum 1 weight 0.10000E+01 volume 0.22440E-02 ppm1 1.199 ppm2 1.910 CV 1 OR { 2084} ( segid " " and resid 56 and name HG1%) (( segid " " and resid 58 and name HB )) ASSI { 2085} (( segid " " and resid 98 and name HB2 )) (( segid " " and resid 87 and name HA )) 2.800 1.000 1.000 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.18081E-02 ppm1 1.888 ppm2 4.364 CV 1 OR { 2085} (( segid " " and resid 140 and name HG2 )) (( segid " " and resid 141 and name HA )) OR { 2085} (( segid " " and resid 140 and name HG2 )) (( segid " " and resid 142 and name HA )) ASSI { 2090} (( segid " " and resid 130 and name HB2 )) ( segid " " and resid 120 and name HG1%) 3.000 1.100 1.100 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.11412E-02 ppm1 2.571 ppm2 0.855 CV 1 OR { 2090} (( segid " " and resid 76 and name HB1 )) ( segid " " and resid 77 and name HG1%) ASSI { 2099} (( segid " " and resid 117 and name HG1 )) (( segid " " and resid 117 and name HD1 )) 2.800 1.000 1.000 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.16158E-02 ppm1 1.510 ppm2 2.986 CV 1 OR { 2099} (( segid " " and resid 117 and name HG1 )) (( segid " " and resid 114 and name HB1 )) ASSI { 2102} (( segid " " and resid 101 and name HA )) ( segid " " and resid 129 and name HD2%) 2.700 0.900 0.900 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.22495E-02 ppm1 5.846 ppm2 1.089 CV 1 OR { 2102} (( segid " " and resid 101 and name HA )) ( segid " " and resid 58 and name HG2%) ASSI { 2103} (( segid " " and resid 126 and name HA )) ( segid " " and resid 97 and name HD1%) 1.900 0.500 0.500 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.14911E-01 ppm1 4.461 ppm2 0.962 CV 1 OR { 2103} (( segid " " and resid 126 and name HA )) ( segid " " and resid 97 and name HD2%) OR { 2103} (( segid " " and resid 118 and name HA )) ( segid " " and resid 118 and name HG1%) OR { 2103} (( segid " " and resid 80 and name HA )) ( segid " " and resid 80 and name HG1%) ASSI { 2104} (( segid " " and resid 103 and name HB )) (( segid " " and resid 103 and name HN )) 2.900 1.000 1.000 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.14858E-02 ppm1 1.548 ppm2 9.251 CV 1 OR { 2104} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 31 and name HN )) ASSI { 2105} (( segid " " and resid 103 and name HB )) (( segid " " and resid 104 and name HN )) 2.800 1.000 1.000 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.16723E-02 ppm1 1.543 ppm2 8.161 CV 1 OR { 2105} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 50 and name HN )) OR { 2105} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 30 and name HN )) ASSI { 2106} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HA )) 2.800 1.000 1.000 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.17558E-02 ppm1 1.564 ppm2 4.415 CV 1 OR { 2106} (( segid " " and resid 103 and name HB )) (( segid " " and resid 103 and name HA )) ASSI { 2114} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 81 and name HA )) 2.900 1.100 1.100 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.12416E-02 ppm1 1.495 ppm2 5.471 CV 1 OR { 2114} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 105 and name HA )) ASSI { 2116} (( segid " " and resid 45 and name HG11)) (( segid " " and resid 45 and name HA )) 2.700 0.900 0.900 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.21975E-02 ppm1 1.806 ppm2 4.306 CV 1 OR { 2116} (( segid " " and resid 83 and name HG )) (( segid " " and resid 45 and name HA )) ASSI { 2125} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 60 and name HN )) 2.800 1.000 1.000 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.15403E-02 ppm1 2.591 ppm2 7.982 CV 1 OR { 2125} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 66 and name HN )) ASSI { 2126} (( segid " " and resid 91 and name HB1 )) (( segid " " and resid 97 and name HN )) 2.900 1.100 1.100 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.12898E-02 ppm1 2.609 ppm2 7.975 CV 1 OR { 2126} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 60 and name HN )) OR { 2126} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 66 and name HN )) ASSI { 2127} (( segid " " and resid 91 and name HB1 )) (( segid " " and resid 91 and name HA )) 2.800 1.000 1.000 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.17906E-02 ppm1 2.670 ppm2 4.858 CV 1 OR { 2127} (( segid " " and resid 91 and name HB1 )) (( segid " " and resid 98 and name HA )) ASSI { 2130} (( segid " " and resid 99 and name HB2 )) (( segid " " and resid 66 and name HD21)) 3.000 3.000 3.000 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.10453E-02 ppm1 3.134 ppm2 6.375 CV 1 OR { 2130} (( segid " " and resid 99 and name HB1 )) (( segid " " and resid 66 and name HD21)) OR { 2130} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 70 and name HD1 )) ASSI { 2139} (( segid " " and resid 92 and name HB1 )) (( segid " " and resid 92 and name HD1 )) 2.800 1.000 1.000 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.16094E-02 ppm1 2.346 ppm2 4.173 CV 1 OR { 2139} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 117 and name HA )) ASSI { 14} ( segid " " and resid 42 and name HE% ) (( segid " " and resid 51 and name HB1 )) 2.700 0.900 0.900 peak 14 spectrum 1 weight 0.10000E+01 volume 0.21621E-02 ppm1 6.823 ppm2 1.742 CV 1 OR { 14} ( segid " " and resid 99 and name HE% ) (( segid " " and resid 94 and name HB2 )) OR { 14} ( segid " " and resid 99 and name HE% ) ( segid " " and resid 89 and name HB% ) OR { 14} ( segid " " and resid 42 and name HE% ) (( segid " " and resid 64 and name HD1 )) OR { 14} ( segid " " and resid 42 and name HE% ) (( segid " " and resid 64 and name HD2 )) OR { 14} ( segid " " and resid 99 and name HE% ) (( segid " " and resid 94 and name HD2 )) OR { 14} ( segid " " and resid 99 and name HE% ) (( segid " " and resid 94 and name HD1 )) ASSI { 19} (( segid " " and resid 138 and name HN )) (( segid " " and resid 81 and name HG )) 2.800 2.500 3.200 peak 19 spectrum 1 weight 0.10000E+01 volume 0.34547E-02 ppm1 7.395 ppm2 1.335 CV 1 OR { 19} (( segid " " and resid 138 and name HN )) (( segid " " and resid 22 and name HB1 )) OR { 19} (( segid " " and resid 138 and name HN )) ( segid " " and resid 11 and name HG1%) OR { 19} (( segid " " and resid 138 and name HN )) ( segid " " and resid 83 and name HD1%) ASSI { 20} (( segid " " and resid 138 and name HN )) (( segid " " and resid 133 and name HD1 )) 2.200 2.200 3.800 peak 20 spectrum 1 weight 0.10000E+01 volume 0.70586E-02 ppm1 7.395 ppm2 7.044 CV 1 OR { 20} (( segid " " and resid 138 and name HN )) (( segid " " and resid 115 and name HD21)) ASSI { 23} ( segid " " and resid 99 and name HE% ) (( segid " " and resid 127 and name HB2 )) 2.800 1.000 1.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.17251E-02 ppm1 6.820 ppm2 2.677 CV 1 OR { 23} ( segid " " and resid 99 and name HE% ) (( segid " " and resid 91 and name HB1 )) ASSI { 24} ( segid " " and resid 42 and name HE% ) (( segid " " and resid 64 and name HE2 )) 2.300 0.700 0.700 peak 24 spectrum 1 weight 0.10000E+01 volume 0.54838E-02 ppm1 6.743 ppm2 3.035 CV 1 OR { 24} ( segid " " and resid 42 and name HE% ) (( segid " " and resid 64 and name HE1 )) OR { 24} ( segid " " and resid 42 and name HE% ) (( segid " " and resid 42 and name HB2 )) OR { 24} ( segid " " and resid 42 and name HE% ) (( segid " " and resid 42 and name HB1 )) ASSI { 25} ( segid " " and resid 42 and name HE% ) (( segid " " and resid 32 and name HA )) 3.000 3.000 3.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.12473E-02 ppm1 6.749 ppm2 5.455 CV 1 OR { 25} ( segid " " and resid 42 and name HE% ) (( segid " " and resid 60 and name HA )) ASSI { 28} ( segid " " and resid 42 and name HE% ) (( segid " " and resid 40 and name HG )) 2.800 1.000 1.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.19000E-02 ppm1 6.739 ppm2 1.458 CV 1 OR { 28} ( segid " " and resid 42 and name HE% ) (( segid " " and resid 64 and name HG1 )) OR { 28} ( segid " " and resid 42 and name HE% ) (( segid " " and resid 40 and name HB2 )) ASSI { 29} ( segid " " and resid 42 and name HE% ) (( segid " " and resid 62 and name HA )) 3.000 3.000 3.000 peak 29 spectrum 1 weight 0.10000E+01 volume 0.12194E-02 ppm1 6.804 ppm2 4.246 CV 1 OR { 29} ( segid " " and resid 42 and name HE% ) (( segid " " and resid 31 and name HA )) OR { 29} ( segid " " and resid 99 and name HE% ) (( segid " " and resid 96 and name HA )) OR { 29} ( segid " " and resid 42 and name HE% ) (( segid " " and resid 30 and name HA2 )) OR { 29} ( segid " " and resid 42 and name HE% ) (( segid " " and resid 50 and name HA )) OR { 29} ( segid " " and resid 99 and name HE% ) (( segid " " and resid 87 and name HA )) OR { 29} ( segid " " and resid 42 and name HE% ) (( segid " " and resid 29 and name HA )) ASSI { 31} ( segid " " and resid 99 and name HE% ) (( segid " " and resid 65 and name HA )) 4.000 1.500 1.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.21233E-02 ppm1 6.815 ppm2 3.563 CV 1 OR { 31} ( segid " " and resid 99 and name HE% ) (( segid " " and resid 88 and name HA2 )) ASSI { 32} ( segid " " and resid 42 and name HE% ) (( segid " " and resid 59 and name HB2 )) 2.900 2.900 3.100 peak 32 spectrum 1 weight 0.10000E+01 volume 0.13050E-02 ppm1 6.810 ppm2 3.239 CV 1 OR { 32} ( segid " " and resid 99 and name HE% ) (( segid " " and resid 123 and name HB1 )) OR { 32} ( segid " " and resid 99 and name HE% ) (( segid " " and resid 66 and name HB2 )) OR { 32} ( segid " " and resid 99 and name HE% ) (( segid " " and resid 68 and name HA1 )) OR { 32} ( segid " " and resid 99 and name HE% ) (( segid " " and resid 59 and name HB2 )) ASSI { 36} ( segid " " and resid 99 and name HE% ) (( segid " " and resid 92 and name HB1 )) 2.800 2.800 3.200 peak 36 spectrum 1 weight 0.10000E+01 volume 0.17014E-02 ppm1 6.815 ppm2 2.424 CV 1 OR { 36} ( segid " " and resid 99 and name HE% ) (( segid " " and resid 90 and name HB1 )) OR { 36} ( segid " " and resid 42 and name HE% ) (( segid " " and resid 52 and name HB2 )) OR { 36} ( segid " " and resid 42 and name HE% ) (( segid " " and resid 35 and name HB1 )) OR { 36} ( segid " " and resid 42 and name HE% ) (( segid " " and resid 56 and name HB )) ASSI { 40} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 122 and name HG )) 3.300 1.100 1.100 peak 40 spectrum 1 weight 0.10000E+01 volume 0.13975E-02 ppm1 6.587 ppm2 1.446 CV 1 OR { 40} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 41 and name HG11)) ASSI { 61} (( segid " " and resid 70 and name HD1 )) (( segid " " and resid 55 and name HA2 )) 2.900 1.100 1.100 peak 61 spectrum 1 weight 0.10000E+01 volume 0.13491E-02 ppm1 6.322 ppm2 3.529 CV 1 OR { 61} (( segid " " and resid 70 and name HD1 )) (( segid " " and resid 48 and name HA2 )) ASSI { 64} (( segid " " and resid 70 and name HD1 )) (( segid " " and resid 56 and name HA )) 2.800 2.800 3.200 peak 64 spectrum 1 weight 0.10000E+01 volume 0.17425E-02 ppm1 6.328 ppm2 3.864 CV 1 OR { 64} (( segid " " and resid 70 and name HD1 )) (( segid " " and resid 48 and name HA1 )) ASSI { 76} ( segid " " and resid 119 and name HD% ) ( segid " " and resid 129 and name HD1%) 2.800 2.800 3.200 peak 76 spectrum 1 weight 0.10000E+01 volume 0.17554E-02 ppm1 6.750 ppm2 0.667 CV 1 OR { 76} ( segid " " and resid 119 and name HD% ) ( segid " " and resid 120 and name HG2%) ASSI { 78} ( segid " " and resid 119 and name HD% ) ( segid " " and resid 67 and name HB% ) 2.900 2.900 3.100 peak 78 spectrum 1 weight 0.10000E+01 volume 0.12986E-02 ppm1 6.773 ppm2 1.189 CV 1 OR { 78} ( segid " " and resid 119 and name HD% ) (( segid " " and resid 103 and name HG11)) OR { 78} ( segid " " and resid 119 and name HD% ) (( segid " " and resid 117 and name HD2 )) ASSI { 79} ( segid " " and resid 119 and name HD% ) ( segid " " and resid 33 and name HG1%) 2.900 1.100 1.100 peak 79 spectrum 1 weight 0.10000E+01 volume 0.13304E-02 ppm1 6.755 ppm2 0.992 CV 1 OR { 79} ( segid " " and resid 60 and name HD% ) ( segid " " and resid 62 and name HD2%) OR { 79} ( segid " " and resid 60 and name HD% ) (( segid " " and resid 65 and name HG11)) ASSI { 80} ( segid " " and resid 105 and name HD% ) ( segid " " and resid 80 and name HG1%) 2.900 1.000 1.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.15176E-02 ppm1 6.745 ppm2 0.899 CV 1 OR { 80} ( segid " " and resid 119 and name HD% ) ( segid " " and resid 33 and name HG2%) OR { 80} ( segid " " and resid 60 and name HD% ) (( segid " " and resid 65 and name HG11)) OR { 80} ( segid " " and resid 60 and name HD% ) ( segid " " and resid 58 and name HG1%) OR { 80} ( segid " " and resid 105 and name HD% ) ( segid " " and resid 45 and name HD1%) OR { 80} ( segid " " and resid 119 and name HD% ) ( segid " " and resid 122 and name HD2%) OR { 80} ( segid " " and resid 105 and name HD% ) ( segid " " and resid 45 and name HG2%) OR { 80} ( segid " " and resid 119 and name HD% ) ( segid " " and resid 118 and name HG1%) OR { 80} ( segid " " and resid 105 and name HD% ) ( segid " " and resid 137 and name HD1%) OR { 80} ( segid " " and resid 60 and name HD% ) ( segid " " and resid 122 and name HD2%) OR { 80} ( segid " " and resid 105 and name HD% ) ( segid " " and resid 80 and name HG2%) OR { 80} ( segid " " and resid 105 and name HD% ) ( segid " " and resid 77 and name HG1%) ASSI { 81} ( segid " " and resid 60 and name HD% ) (( segid " " and resid 41 and name HG12)) 2.800 1.000 1.000 peak 81 spectrum 1 weight 0.10000E+01 volume 0.19402E-02 ppm1 6.799 ppm2 0.496 CV 1 OR { 81} ( segid " " and resid 60 and name HD% ) ( segid " " and resid 65 and name HG2%) OR { 81} ( segid " " and resid 119 and name HD% ) (( segid " " and resid 103 and name HG12)) ASSI { 84} ( segid " " and resid 60 and name HD% ) ( segid " " and resid 65 and name HD1%) 2.600 0.900 0.900 peak 84 spectrum 1 weight 0.10000E+01 volume 0.25610E-02 ppm1 6.794 ppm2 0.694 CV 1 OR { 84} ( segid " " and resid 60 and name HD% ) ( segid " " and resid 129 and name HD1%) OR { 84} ( segid " " and resid 60 and name HD% ) (( segid " " and resid 65 and name HB )) OR { 84} ( segid " " and resid 119 and name HD% ) ( segid " " and resid 129 and name HD1%) ASSI { 86} ( segid " " and resid 119 and name HD% ) ( segid " " and resid 33 and name HG2%) 3.000 1.100 1.100 peak 86 spectrum 1 weight 0.10000E+01 volume 0.12463E-02 ppm1 6.793 ppm2 0.912 CV 1 OR { 86} ( segid " " and resid 60 and name HD% ) (( segid " " and resid 65 and name HG11)) OR { 86} ( segid " " and resid 60 and name HD% ) ( segid " " and resid 58 and name HG1%) OR { 86} ( segid " " and resid 119 and name HD% ) ( segid " " and resid 122 and name HD2%) OR { 86} ( segid " " and resid 119 and name HD% ) ( segid " " and resid 118 and name HG1%) OR { 86} ( segid " " and resid 60 and name HD% ) ( segid " " and resid 122 and name HD2%) ASSI { 91} ( segid " " and resid 105 and name HD% ) (( segid " " and resid 81 and name HN )) 2.700 0.900 0.900 peak 91 spectrum 1 weight 0.10000E+01 volume 0.19575E-02 ppm1 6.753 ppm2 8.385 CV 1 OR { 91} ( segid " " and resid 105 and name HD% ) (( segid " " and resid 106 and name HN )) OR { 91} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 40 and name HN )) ASSI { 94} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 35 and name HB1 )) 2.300 0.700 0.700 peak 94 spectrum 1 weight 0.10000E+01 volume 0.58084E-02 ppm1 6.750 ppm2 2.475 CV 1 OR { 94} ( segid " " and resid 105 and name HD% ) (( segid " " and resid 105 and name HB2 )) ASSI { 98} ( segid " " and resid 76 and name HD% ) ( segid " " and resid 11 and name HG2%) 2.000 2.000 4.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.29179E-02 ppm1 6.896 ppm2 0.806 CV 1 OR { 98} ( segid " " and resid 76 and name HD% ) ( segid " " and resid 77 and name HG1%) OR { 98} ( segid " " and resid 76 and name HD% ) ( segid " " and resid 80 and name HG2%) OR { 98} ( segid " " and resid 76 and name HD% ) ( segid " " and resid 77 and name HG2%) OR { 98} ( segid " " and resid 76 and name HD% ) ( segid " " and resid 19 and name HD2%) ASSI { 100} ( segid " " and resid 20 and name HD% ) (( segid " " and resid 138 and name HA )) 3.000 1.200 1.200 peak 100 spectrum 1 weight 0.10000E+01 volume 0.10594E-02 ppm1 7.488 ppm2 4.595 CV 1 OR { 100} ( segid " " and resid 20 and name HD% ) (( segid " " and resid 11 and name HA )) ASSI { 104} ( segid " " and resid 20 and name HD% ) ( segid " " and resid 11 and name HG2%) 2.300 0.600 0.600 peak 104 spectrum 1 weight 0.10000E+01 volume 0.64534E-02 ppm1 7.488 ppm2 0.787 CV 1 OR { 104} ( segid " " and resid 20 and name HD% ) ( segid " " and resid 19 and name HD2%) OR { 104} ( segid " " and resid 20 and name HD% ) ( segid " " and resid 19 and name HD1%) ASSI { 106} ( segid " " and resid 76 and name HD% ) (( segid " " and resid 81 and name HG )) 2.600 0.900 0.900 peak 106 spectrum 1 weight 0.10000E+01 volume 0.25765E-02 ppm1 6.896 ppm2 1.406 CV 1 OR { 106} ( segid " " and resid 76 and name HD% ) ( segid " " and resid 11 and name HG1%) ASSI { 113} ( segid " " and resid 76 and name HD% ) (( segid " " and resid 14 and name HG1 )) 3.100 1.200 1.200 peak 113 spectrum 1 weight 0.10000E+01 volume 0.90706E-03 ppm1 6.887 ppm2 2.212 CV 1 OR { 113} ( segid " " and resid 76 and name HD% ) (( segid " " and resid 14 and name HG2 )) OR { 113} ( segid " " and resid 76 and name HD% ) (( segid " " and resid 11 and name HB )) ASSI { 115} ( segid " " and resid 42 and name HD% ) (( segid " " and resid 32 and name HB2 )) 2.700 0.900 0.900 peak 115 spectrum 1 weight 0.10000E+01 volume 0.24189E-02 ppm1 7.083 ppm2 3.738 CV 1 OR { 115} ( segid " " and resid 131 and name HD% ) (( segid " " and resid 101 and name HB2 )) OR { 115} ( segid " " and resid 130 and name HD% ) (( segid " " and resid 121 and name HB1 )) OR { 115} ( segid " " and resid 42 and name HD% ) (( segid " " and resid 32 and name HB1 )) OR { 115} ( segid " " and resid 131 and name HD% ) (( segid " " and resid 101 and name HB1 )) ASSI { 118} ( segid " " and resid 130 and name HD% ) ( segid " " and resid 102 and name HG2%) 2.300 0.700 0.700 peak 118 spectrum 1 weight 0.10000E+01 volume 0.59381E-02 ppm1 7.077 ppm2 0.946 CV 1 OR { 118} ( segid " " and resid 130 and name HD% ) ( segid " " and resid 122 and name HD2%) OR { 118} ( segid " " and resid 42 and name HD% ) ( segid " " and resid 49 and name HG2%) OR { 118} ( segid " " and resid 130 and name HD% ) ( segid " " and resid 122 and name HD1%) OR { 118} ( segid " " and resid 42 and name HD% ) ( segid " " and resid 58 and name HG1%) ASSI { 119} ( segid " " and resid 31 and name HD% ) (( segid " " and resid 45 and name HG12)) 2.600 0.800 0.800 peak 119 spectrum 1 weight 0.10000E+01 volume 0.30079E-02 ppm1 7.226 ppm2 1.527 CV 1 OR { 119} ( segid " " and resid 31 and name HD% ) (( segid " " and resid 43 and name HB )) ASSI { 120} ( segid " " and resid 99 and name HD% ) ( segid " " and resid 122 and name HD2%) 2.800 1.000 1.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.18909E-02 ppm1 7.225 ppm2 0.876 CV 1 OR { 120} ( segid " " and resid 31 and name HD% ) ( segid " " and resid 45 and name HD1%) OR { 120} ( segid " " and resid 31 and name HD% ) ( segid " " and resid 45 and name HG2%) OR { 120} ( segid " " and resid 31 and name HD% ) ( segid " " and resid 33 and name HG2%) ASSI { 121} ( segid " " and resid 42 and name HD% ) ( segid " " and resid 40 and name HD1%) 2.300 0.700 0.700 peak 121 spectrum 1 weight 0.10000E+01 volume 0.58225E-02 ppm1 7.081 ppm2 0.809 CV 1 OR { 121} ( segid " " and resid 130 and name HD% ) ( segid " " and resid 102 and name HG1%) OR { 121} ( segid " " and resid 130 and name HD% ) ( segid " " and resid 120 and name HG1%) ASSI { 125} ( segid " " and resid 130 and name HD% ) (( segid " " and resid 130 and name HN )) 2.800 1.000 1.000 peak 125 spectrum 1 weight 0.10000E+01 volume 0.17087E-02 ppm1 7.069 ppm2 8.686 CV 1 OR { 125} ( segid " " and resid 42 and name HD% ) (( segid " " and resid 43 and name HN )) ASSI { 127} ( segid " " and resid 99 and name HD% ) (( segid " " and resid 99 and name HB2 )) 2.300 0.700 0.700 peak 127 spectrum 1 weight 0.10000E+01 volume 0.52849E-02 ppm1 7.278 ppm2 3.137 CV 1 OR { 127} ( segid " " and resid 99 and name HD% ) (( segid " " and resid 99 and name HB1 )) OR { 127} ( segid " " and resid 99 and name HD% ) (( segid " " and resid 127 and name HB1 )) ASSI { 60} (( segid " " and resid 5 and name HN )) ( segid " " and resid 11 and name HG2%) 2.900 2.900 3.100 peak 60 spectrum 1 weight 0.10000E+01 volume 0.14724E-02 ppm1 8.364 ppm2 0.759 CV 1 OR { 60} (( segid " " and resid 114 and name HN )) ( segid " " and resid 137 and name HD2%) ASSI { 82} (( segid " " and resid 61 and name HN )) ( segid " " and resid 41 and name HG2%) 3.200 1.200 1.200 peak 82 spectrum 1 weight 0.10000E+01 volume 0.83670E-03 ppm1 8.612 ppm2 0.842 CV 1 OR { 82} (( segid " " and resid 61 and name HN )) ( segid " " and resid 40 and name HD2%) ASSI { 113} (( segid " " and resid 67 and name HN )) ( segid " " and resid 58 and name HG1%) 2.900 1.000 1.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.14150E-02 ppm1 9.236 ppm2 0.913 CV 1 OR { 113} (( segid " " and resid 67 and name HN )) ( segid " " and resid 56 and name HG1%) ASSI { 131} (( segid " " and resid 104 and name HN )) ( segid " " and resid 102 and name HG2%) 3.000 1.100 1.100 peak 131 spectrum 1 weight 0.10000E+01 volume 0.12234E-02 ppm1 8.146 ppm2 0.933 CV 1 OR { 131} (( segid " " and resid 104 and name HN )) ( segid " " and resid 80 and name HG1%) OR { 131} (( segid " " and resid 104 and name HN )) ( segid " " and resid 80 and name HG2%) OR { 131} (( segid " " and resid 104 and name HN )) ( segid " " and resid 45 and name HD1%) OR { 131} (( segid " " and resid 104 and name HN )) ( segid " " and resid 84 and name HG2%) ASSI { 165} (( segid " " and resid 59 and name HN )) ( segid " " and resid 58 and name HG2%) 2.900 1.000 1.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.14936E-02 ppm1 9.175 ppm2 1.046 CV 1 OR { 165} (( segid " " and resid 59 and name HN )) ( segid " " and resid 49 and name HG2%) ASSI { 234} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG2 )) 2.600 0.800 0.800 peak 234 spectrum 1 weight 0.10000E+01 volume 0.27616E-02 ppm1 7.983 ppm2 1.265 CV 1 OR { 234} (( segid " " and resid 60 and name HN )) ( segid " " and resid 67 and name HB% ) OR { 234} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG1 )) ASSI { 235} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB1 )) 2.700 0.900 0.900 peak 235 spectrum 1 weight 0.10000E+01 volume 0.23419E-02 ppm1 8.201 ppm2 1.266 CV 1 OR { 235} (( segid " " and resid 22 and name HN )) (( segid " " and resid 25 and name HG )) ASSI { 293} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB )) 3.100 1.200 1.200 peak 293 spectrum 1 weight 0.10000E+01 volume 0.90959E-03 ppm1 9.340 ppm2 1.515 CV 1 OR { 293} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HG12)) ASSI { 294} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB )) 2.200 0.600 0.600 peak 294 spectrum 1 weight 0.10000E+01 volume 0.67877E-02 ppm1 8.648 ppm2 1.516 CV 1 OR { 294} (( segid " " and resid 35 and name HN )) ( segid " " and resid 34 and name HB% ) ASSI { 298} (( segid " " and resid 112 and name HN )) ( segid " " and resid 113 and name HB% ) 3.000 3.000 3.000 peak 298 spectrum 1 weight 0.10000E+01 volume 0.12155E-02 ppm1 8.643 ppm2 1.519 CV 1 OR { 298} (( segid " " and resid 112 and name HN )) (( segid " " and resid 137 and name HB1 )) ASSI { 404} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HB2 )) 2.500 0.800 0.800 peak 404 spectrum 1 weight 0.10000E+01 volume 0.32262E-02 ppm1 8.065 ppm2 1.933 CV 1 OR { 404} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB1 )) ASSI { 419} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HG1 )) 2.800 2.800 3.200 peak 419 spectrum 1 weight 0.10000E+01 volume 0.15632E-02 ppm1 8.988 ppm2 2.006 CV 1 OR { 419} (( segid " " and resid 140 and name HN )) (( segid " " and resid 142 and name HB2 )) ASSI { 445} (( segid " " and resid 82 and name HE22)) (( segid " " and resid 82 and name HG2 )) 2.700 0.900 0.900 peak 445 spectrum 1 weight 0.10000E+01 volume 0.19220E-02 ppm1 6.704 ppm2 2.129 CV 1 OR { 445} (( segid " " and resid 82 and name HE22)) (( segid " " and resid 82 and name HG1 )) OR { 445} (( segid " " and resid 82 and name HE22)) (( segid " " and resid 80 and name HB )) ASSI { 478} (( segid " " and resid 73 and name HE21)) (( segid " " and resid 73 and name HB1 )) 2.900 1.100 1.100 peak 478 spectrum 1 weight 0.10000E+01 volume 0.13745E-02 ppm1 6.930 ppm2 2.247 CV 1 OR { 478} (( segid " " and resid 73 and name HE21)) (( segid " " and resid 6 and name HB2 )) ASSI { 491} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB2 )) 2.900 1.100 1.100 peak 491 spectrum 1 weight 0.10000E+01 volume 0.12549E-02 ppm1 8.207 ppm2 2.278 CV 1 OR { 491} (( segid " " and resid 22 and name HN )) (( segid " " and resid 10 and name HG2 )) OR { 491} (( segid " " and resid 22 and name HN )) (( segid " " and resid 11 and name HB )) ASSI { 600} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB1 )) 3.000 1.100 1.100 peak 600 spectrum 1 weight 0.10000E+01 volume 0.10655E-02 ppm1 8.374 ppm2 2.846 CV 1 OR { 600} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB2 )) OR { 600} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB1 )) ASSI { 628} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 71 and name HB1 )) 2.400 0.800 0.800 peak 628 spectrum 1 weight 0.10000E+01 volume 0.37997E-02 ppm1 7.514 ppm2 2.926 CV 1 OR { 628} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 85 and name HB2 )) ASSI { 916} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA )) 2.900 1.000 1.000 peak 916 spectrum 1 weight 0.10000E+01 volume 0.13870E-02 ppm1 7.795 ppm2 4.369 CV 1 OR { 916} (( segid " " and resid 64 and name HN )) (( segid " " and resid 61 and name HA1 )) ASSI { 971} (( segid " " and resid 34 and name HN )) (( segid " " and resid 118 and name HA )) 2.500 2.500 3.500 peak 971 spectrum 1 weight 0.10000E+01 volume 0.33263E-02 ppm1 8.544 ppm2 4.524 CV 1 OR { 971} (( segid " " and resid 34 and name HN )) (( segid " " and resid 41 and name HA )) OR { 971} (( segid " " and resid 34 and name HN )) (( segid " " and resid 42 and name HA )) OR { 971} (( segid " " and resid 34 and name HN )) (( segid " " and resid 119 and name HA )) ASSI { 1028} (( segid " " and resid 35 and name HN )) (( segid " " and resid 40 and name HA )) 2.300 0.700 0.700 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.49511E-02 ppm1 8.648 ppm2 4.800 CV 1 OR { 1028} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 1183} (( segid " " and resid 13 and name HD21)) (( segid " " and resid 16 and name HN )) 3.000 1.200 1.200 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.10466E-02 ppm1 7.322 ppm2 6.815 CV 1 OR { 1183} (( segid " " and resid 13 and name HD21)) ( segid " " and resid 76 and name HE% ) ASSI { 1250} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 116 and name HN )) 2.900 2.900 3.100 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.12868E-02 ppm1 9.686 ppm2 7.596 CV 1 OR { 1250} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 26 and name HN )) ASSI { 1274} (( segid " " and resid 36 and name HN )) (( segid " " and resid 39 and name HN )) 3.000 3.000 3.000 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.11781E-02 ppm1 7.605 ppm2 7.893 CV 1 OR { 1274} (( segid " " and resid 139 and name HN )) (( segid " " and resid 113 and name HN )) ASSI { 1326} (( segid " " and resid 107 and name HN )) (( segid " " and resid 106 and name HN )) 3.100 1.200 1.200 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.99306E-03 ppm1 9.089 ppm2 8.392 CV 1 OR { 1326} (( segid " " and resid 107 and name HN )) (( segid " " and resid 81 and name HN )) ASSI { 1383} (( segid " " and resid 43 and name HN )) (( segid " " and resid 32 and name HN )) 2.900 1.000 1.000 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.14488E-02 ppm1 8.649 ppm2 8.923 CV 1 OR { 1383} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HN )) ASSI { 1401} (( segid " " and resid 135 and name HN )) (( segid " " and resid 107 and name HN )) 2.800 2.800 3.200 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.16934E-02 ppm1 9.211 ppm2 9.049 CV 1 OR { 1401} (( segid " " and resid 135 and name HN )) (( segid " " and resid 133 and name HN )) ASSI { 1415} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HN )) 3.100 1.200 1.200 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.97124E-03 ppm1 9.012 ppm2 9.231 CV 1 OR { 1415} (( segid " " and resid 133 and name HN )) (( segid " " and resid 135 and name HN )) ASSI { 63} (( segid " " and resid 108 and name HN )) (( segid " " and resid 110 and name HB1 )) 3.000 3.000 3.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.94988E-03 ppm1 6.798 ppm2 2.932 CV 1 OR { 63} (( segid " " and resid 108 and name HN )) (( segid " " and resid 134 and name HB2 )) ASSI { 191} (( segid " " and resid 138 and name HN )) ( segid " " and resid 25 and name HD2%) 3.100 3.100 2.900 peak 191 spectrum 1 weight 0.10000E+01 volume 0.89731E-03 ppm1 7.398 ppm2 0.646 CV 1 OR { 191} (( segid " " and resid 138 and name HN )) ( segid " " and resid 74 and name HD2%) OR { 191} (( segid " " and resid 138 and name HN )) ( segid " " and resid 106 and name HG2%) ASSI { 212} (( segid " " and resid 114 and name HD22)) (( segid " " and resid 31 and name HB2 )) 2.600 0.800 0.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.27043E-02 ppm1 7.488 ppm2 3.000 CV 1 OR { 212} (( segid " " and resid 114 and name HD22)) (( segid " " and resid 117 and name HD1 )) ASSI { 292} (( segid " " and resid 139 and name HN )) (( segid " " and resid 137 and name HB2 )) 2.900 2.900 3.100 peak 292 spectrum 1 weight 0.10000E+01 volume 0.13629E-02 ppm1 7.599 ppm2 1.436 CV 1 OR { 292} (( segid " " and resid 139 and name HN )) (( segid " " and resid 81 and name HB2 )) OR { 292} (( segid " " and resid 139 and name HN )) (( segid " " and resid 81 and name HG )) OR { 292} (( segid " " and resid 139 and name HN )) ( segid " " and resid 11 and name HG1%) ASSI { 293} (( segid " " and resid 36 and name HN )) ( segid " " and resid 35 and name HD% ) 2.700 0.900 0.900 peak 293 spectrum 1 weight 0.10000E+01 volume 0.18196E-02 ppm1 7.600 ppm2 6.784 CV 1 OR { 293} (( segid " " and resid 139 and name HN )) (( segid " " and resid 108 and name HN )) ASSI { 295} (( segid " " and resid 139 and name HN )) (( segid " " and resid 136 and name HG2 )) 3.000 3.000 3.000 peak 295 spectrum 1 weight 0.10000E+01 volume 0.94673E-03 ppm1 7.602 ppm2 2.130 CV 1 OR { 295} (( segid " " and resid 139 and name HN )) (( segid " " and resid 136 and name HG1 )) OR { 295} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HG2 )) OR { 295} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HB1 )) OR { 295} (( segid " " and resid 36 and name HN )) (( segid " " and resid 33 and name HB )) ASSI { 475} (( segid " " and resid 18 and name HN )) (( segid " " and resid 142 and name HG1 )) 4.500 1.200 1.500 peak 475 spectrum 1 weight 0.10000E+01 volume 0.96421E-03 ppm1 7.909 ppm2 2.323 CV 1 OR { 475} (( segid " " and resid 25 and name HN )) (( segid " " and resid 21 and name HB2 )) OR { 475} (( segid " " and resid 18 and name HN )) (( segid " " and resid 142 and name HG2 )) OR { 475} (( segid " " and resid 18 and name HN )) (( segid " " and resid 143 and name HG2 )) OR { 475} (( segid " " and resid 18 and name HN )) (( segid " " and resid 21 and name HB2 )) ASSI { 512} (( segid " " and resid 60 and name HN )) (( segid " " and resid 66 and name HA )) 3.000 1.100 1.100 peak 512 spectrum 1 weight 0.10000E+01 volume 0.10117E-02 ppm1 7.968 ppm2 4.552 CV 1 OR { 512} (( segid " " and resid 60 and name HN )) (( segid " " and resid 41 and name HA )) ASSI { 683} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HB1 )) 3.100 1.200 1.200 peak 683 spectrum 1 weight 0.10000E+01 volume 0.90173E-03 ppm1 8.198 ppm2 2.990 CV 1 OR { 683} (( segid " " and resid 22 and name HN )) (( segid " " and resid 46 and name HB2 )) ASSI { 717} (( segid " " and resid 74 and name HN )) (( segid " " and resid 9 and name HN )) 3.300 3.300 2.700 peak 717 spectrum 1 weight 0.10000E+01 volume 0.54892E-03 ppm1 8.304 ppm2 9.596 CV 1 OR { 717} (( segid " " and resid 74 and name HN )) (( segid " " and resid 84 and name HN )) ASSI { 768} (( segid " " and resid 5 and name HN )) ( segid " " and resid 11 and name HG2%) 2.800 2.800 3.200 peak 768 spectrum 1 weight 0.10000E+01 volume 0.16430E-02 ppm1 8.361 ppm2 0.767 CV 1 OR { 768} (( segid " " and resid 114 and name HN )) ( segid " " and resid 137 and name HD2%) OR { 768} (( segid " " and resid 5 and name HN )) ( segid " " and resid 19 and name HD2%) ASSI { 796} (( segid " " and resid 81 and name HN )) ( segid " " and resid 105 and name HD% ) 3.100 1.200 1.200 peak 796 spectrum 1 weight 0.10000E+01 volume 0.83236E-03 ppm1 8.387 ppm2 6.694 CV 1 OR { 796} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HE22)) ASSI { 809} (( segid " " and resid 110 and name HN )) (( segid " " and resid 108 and name HA )) 3.000 0.900 1.000 peak 809 spectrum 1 weight 0.10000E+01 volume 0.20463E-02 ppm1 8.394 ppm2 4.596 CV 1 OR { 809} (( segid " " and resid 40 and name HN )) (( segid " " and resid 41 and name HA )) ASSI { 895} (( segid " " and resid 100 and name HN )) ( segid " " and resid 99 and name HE% ) 3.300 3.300 2.700 peak 895 spectrum 1 weight 0.10000E+01 volume 0.63774E-03 ppm1 8.465 ppm2 6.847 CV 1 OR { 895} (( segid " " and resid 100 and name HN )) ( segid " " and resid 60 and name HE% ) ASSI { 915} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HB2 )) 3.100 1.200 1.200 peak 915 spectrum 1 weight 0.10000E+01 volume 0.92935E-03 ppm1 8.479 ppm2 2.939 CV 1 OR { 915} (( segid " " and resid 120 and name HN )) (( segid " " and resid 131 and name HB1 )) ASSI { 976} (( segid " " and resid 115 and name HN )) ( segid " " and resid 113 and name HB% ) 2.900 1.000 1.000 peak 976 spectrum 1 weight 0.10000E+01 volume 0.13899E-02 ppm1 8.533 ppm2 1.509 CV 1 OR { 976} (( segid " " and resid 21 and name HN )) (( segid " " and resid 137 and name HB1 )) ASSI { 1012} (( segid " " and resid 49 and name HN )) (( segid " " and resid 54 and name HA )) 3.000 1.200 1.200 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.97216E-03 ppm1 8.560 ppm2 4.415 CV 1 OR { 1012} (( segid " " and resid 49 and name HN )) (( segid " " and resid 57 and name HA1 )) OR { 1012} (( segid " " and resid 49 and name HN )) (( segid " " and resid 51 and name HA )) ASSI { 1106} (( segid " " and resid 112 and name HN )) (( segid " " and resid 136 and name HD1 )) 2.800 1.000 1.000 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.16598E-02 ppm1 8.648 ppm2 4.073 CV 1 OR { 1106} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HB1 )) ASSI { 1136} (( segid " " and resid 130 and name HN )) (( segid " " and resid 102 and name HN )) 3.300 1.300 1.300 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.61713E-03 ppm1 8.666 ppm2 9.264 CV 1 OR { 1136} (( segid " " and resid 130 and name HN )) (( segid " " and resid 132 and name HN )) ASSI { 1279} (( segid " " and resid 99 and name HN )) ( segid " " and resid 89 and name HB% ) 2.900 1.100 1.100 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.12281E-02 ppm1 8.878 ppm2 1.738 CV 1 OR { 1279} (( segid " " and resid 99 and name HN )) (( segid " " and resid 97 and name HB1 )) ASSI { 1280} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HG2 )) 2.900 1.000 1.000 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.13629E-02 ppm1 8.878 ppm2 1.234 CV 1 OR { 1280} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HG1 )) OR { 1280} (( segid " " and resid 99 and name HN )) ( segid " " and resid 67 and name HB% ) ASSI { 1460} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HA )) 2.400 0.700 0.700 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.36867E-02 ppm1 9.091 ppm2 4.470 CV 1 OR { 1460} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HA )) ASSI { 1547} (( segid " " and resid 135 and name HN )) ( segid " " and resid 106 and name HG1%) 2.900 2.900 3.100 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.12846E-02 ppm1 9.211 ppm2 0.904 CV 1 OR { 1547} (( segid " " and resid 135 and name HN )) ( segid " " and resid 80 and name HG2%) OR { 1547} (( segid " " and resid 135 and name HN )) ( segid " " and resid 80 and name HG1%) ASSI { 1605} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HB2 )) 3.000 1.100 1.100 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.10919E-02 ppm1 9.273 ppm2 3.737 CV 1 OR { 1605} (( segid " " and resid 102 and name HN )) (( segid " " and resid 128 and name HB )) ASSI { 1607} (( segid " " and resid 102 and name HN )) (( segid " " and resid 100 and name HG1 )) 3.100 1.200 1.200 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.85587E-03 ppm1 9.274 ppm2 1.565 CV 1 OR { 1607} (( segid " " and resid 102 and name HN )) (( segid " " and resid 100 and name HD2 )) OR { 1607} (( segid " " and resid 102 and name HN )) (( segid " " and resid 129 and name HB2 )) ASSI { 1652} (( segid " " and resid 20 and name HN )) ( segid " " and resid 12 and name HG2%) 2.900 2.900 3.100 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.13138E-02 ppm1 9.374 ppm2 0.921 CV 1 OR { 1652} (( segid " " and resid 20 and name HN )) (( segid " " and resid 74 and name HB2 )) ASSI { 1661} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HG )) 3.200 1.300 1.300 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.70153E-03 ppm1 9.399 ppm2 1.675 CV 1 OR { 1661} (( segid " " and resid 129 and name HN )) (( segid " " and resid 100 and name HD1 )) ASSI { 1706} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB1 )) 2.900 1.000 1.000 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.13384E-02 ppm1 9.576 ppm2 2.829 CV 1 OR { 1706} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB1 )) ASSI { 1730} (( segid " " and resid 85 and name HN )) ( segid " " and resid 102 and name HG1%) 2.900 1.100 1.100 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.11929E-02 ppm1 9.666 ppm2 0.768 CV 1 OR { 1730} (( segid " " and resid 85 and name HN )) ( segid " " and resid 74 and name HD1%) OR { 1730} (( segid " " and resid 85 and name HN )) ( segid " " and resid 41 and name HG2%) ASSI { 1737} (( segid " " and resid 133 and name HE1 )) ( segid " " and resid 113 and name HB% ) 3.100 1.200 1.200 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.88202E-03 ppm1 9.689 ppm2 1.507 CV 1 OR { 1737} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 45 and name HG12)) OR { 1737} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 137 and name HB1 )) OR { 1737} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 22 and name HB2 )) OR { 1737} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 117 and name HG1 )) OR { 1737} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 81 and name HB2 )) ASSI { 1739} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 112 and name HA2 )) 2.900 2.900 3.100 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.11901E-02 ppm1 9.690 ppm2 3.954 CV 1 OR { 1739} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 116 and name HA )) OR { 1739} (( segid " " and resid 133 and name HE1 )) (( segid " " and resid 30 and name HA1 )) ASSI { 1760} (( segid " " and resid 87 and name HN )) (( segid " " and resid 98 and name HB2 )) 2.900 1.000 1.000 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.14113E-02 ppm1 9.723 ppm2 1.917 CV 1 OR { 1760} (( segid " " and resid 87 and name HN )) (( segid " " and resid 100 and name HB1 )) OR { 1760} (( segid " " and resid 87 and name HN )) (( segid " " and resid 100 and name HB2 )) ASSI { 75} ( segid " " and resid 99 and name HE% ) ( segid " " and resid 122 and name HD2%) 2.500 0.800 0.800 peak 75 spectrum 1 weight 0.10000E+01 volume 0.30628E-02 ppm1 6.819 ppm2 0.924 CV 1 OR { 75} ( segid " " and resid 99 and name HE% ) ( segid " " and resid 122 and name HD1%) OR { 75} ( segid " " and resid 99 and name HE% ) (( segid " " and resid 65 and name HG11)) ASSI { 81} ( segid " " and resid 89 and name HB% ) (( segid " " and resid 90 and name HG2 )) 2.600 2.600 3.400 peak 81 spectrum 1 weight 0.10000E+01 volume 0.25896E-02 ppm1 1.723 ppm2 2.041 CV 1 OR { 81} ( segid " " and resid 89 and name HB% ) (( segid " " and resid 53 and name HG2 )) ASSI { 134} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 133 and name HD1 )) 2.600 2.600 3.400 peak 134 spectrum 1 weight 0.10000E+01 volume 0.26189E-02 ppm1 2.869 ppm2 6.986 CV 1 OR { 134} (( segid " " and resid 4 and name HB1 )) ( segid " " and resid 76 and name HD% ) OR { 134} (( segid " " and resid 4 and name HB2 )) ( segid " " and resid 76 and name HD% ) OR { 134} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 115 and name HD21)) OR { 134} (( segid " " and resid 4 and name HB2 )) ( segid " " and resid 20 and name HE% ) OR { 134} (( segid " " and resid 4 and name HB1 )) ( segid " " and resid 20 and name HE% ) ASSI { 145} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 10 and name HN )) 2.300 2.300 3.700 peak 145 spectrum 1 weight 0.10000E+01 volume 0.54846E-02 ppm1 2.920 ppm2 7.700 CV 1 OR { 145} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 10 and name HN )) OR { 145} (( segid " " and resid 95 and name HB1 )) (( segid " " and resid 93 and name HN )) ASSI { 236} ( segid " " and resid 135 and name HG2%) (( segid " " and resid 105 and name HB1 )) 2.700 2.700 3.300 peak 236 spectrum 1 weight 0.10000E+01 volume 0.23794E-02 ppm1 1.067 ppm2 2.844 CV 1 OR { 236} ( segid " " and resid 108 and name HG2%) (( segid " " and resid 110 and name HB1 )) ASSI { 286} ( segid " " and resid 77 and name HG1%) (( segid " " and resid 82 and name HB2 )) 2.600 0.800 0.800 peak 286 spectrum 1 weight 0.10000E+01 volume 0.27597E-02 ppm1 0.838 ppm2 1.776 CV 1 OR { 286} ( segid " " and resid 11 and name HG2%) (( segid " " and resid 74 and name HB1 )) OR { 286} ( segid " " and resid 77 and name HG2%) (( segid " " and resid 82 and name HB2 )) ASSI { 316} ( segid " " and resid 84 and name HG1%) (( segid " " and resid 100 and name HD1 )) 2.200 0.600 0.600 peak 316 spectrum 1 weight 0.10000E+01 volume 0.73797E-02 ppm1 0.908 ppm2 1.681 CV 1 OR { 316} ( segid " " and resid 102 and name HG2%) (( segid " " and resid 100 and name HD1 )) ASSI { 325} (( segid " " and resid 16 and name HA )) (( segid " " and resid 18 and name HB1 )) 2.600 2.600 3.400 peak 325 spectrum 1 weight 0.10000E+01 volume 0.23522E-02 ppm1 4.504 ppm2 2.658 CV 1 OR { 325} (( segid " " and resid 41 and name HA )) (( segid " " and resid 35 and name HB2 )) OR { 325} (( segid " " and resid 103 and name HA )) (( segid " " and resid 130 and name HB2 )) OR { 325} (( segid " " and resid 33 and name HA )) (( segid " " and resid 35 and name HB2 )) OR { 325} (( segid " " and resid 41 and name HA )) (( segid " " and resid 59 and name HB1 )) OR { 325} (( segid " " and resid 80 and name HA )) (( segid " " and resid 76 and name HB1 )) OR { 325} (( segid " " and resid 118 and name HA )) (( segid " " and resid 35 and name HB2 )) ASSI { 363} ( segid " " and resid 84 and name HG2%) ( segid " " and resid 75 and name HE% ) 2.800 1.000 1.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.20655E-01 ppm1 0.951 ppm2 2.201 CV 1 OR { 363} ( segid " " and resid 84 and name HG1%) (( segid " " and resid 84 and name HB )) OR { 363} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 118 and name HB )) OR { 363} ( segid " " and resid 84 and name HG2%) (( segid " " and resid 84 and name HB )) ASSI { 382} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 116 and name HD1 )) 2.700 0.900 0.900 peak 382 spectrum 1 weight 0.10000E+01 volume 0.22772E-02 ppm1 0.924 ppm2 1.855 CV 1 OR { 382} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 82 and name HB2 )) OR { 382} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 116 and name HD2 )) OR { 382} ( segid " " and resid 84 and name HG2%) (( segid " " and resid 82 and name HB1 )) OR { 382} ( segid " " and resid 84 and name HG2%) (( segid " " and resid 82 and name HB2 )) OR { 382} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 116 and name HB1 )) ASSI { 425} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 62 and name HB2 )) 2.500 2.500 3.500 peak 425 spectrum 1 weight 0.10000E+01 volume 0.34576E-02 ppm1 1.223 ppm2 1.756 CV 1 OR { 425} ( segid " " and resid 63 and name HG2%) (( segid " " and resid 64 and name HD1 )) ASSI { 553} (( segid " " and resid 97 and name HB2 )) ( segid " " and resid 97 and name HD2%) 2.400 0.700 0.700 peak 553 spectrum 1 weight 0.10000E+01 volume 0.43292E-02 ppm1 1.483 ppm2 0.921 CV 1 OR { 553} (( segid " " and resid 97 and name HB2 )) ( segid " " and resid 97 and name HD1%) OR { 553} (( segid " " and resid 43 and name HB )) ( segid " " and resid 33 and name HG2%) ASSI { 584} (( segid " " and resid 93 and name HB2 )) (( segid " " and resid 94 and name HG1 )) 2.700 0.900 0.900 peak 584 spectrum 1 weight 0.10000E+01 volume 0.20123E-02 ppm1 3.969 ppm2 1.470 CV 1 OR { 584} (( segid " " and resid 93 and name HB1 )) (( segid " " and resid 94 and name HG1 )) OR { 584} (( segid " " and resid 93 and name HB2 )) (( segid " " and resid 94 and name HG2 )) OR { 584} (( segid " " and resid 93 and name HB1 )) (( segid " " and resid 94 and name HG2 )) OR { 584} (( segid " " and resid 111 and name HB2 )) ( segid " " and resid 113 and name HB% ) ASSI { 638} (( segid " " and resid 39 and name HA1 )) (( segid " " and resid 40 and name HG )) 2.600 2.600 3.400 peak 638 spectrum 1 weight 0.10000E+01 volume 0.23612E-02 ppm1 3.948 ppm2 1.440 CV 1 OR { 638} (( segid " " and resid 39 and name HA2 )) (( segid " " and resid 40 and name HG )) OR { 638} (( segid " " and resid 39 and name HA1 )) (( segid " " and resid 40 and name HB2 )) OR { 638} (( segid " " and resid 39 and name HA2 )) (( segid " " and resid 41 and name HG11)) ASSI { 730} (( segid " " and resid 74 and name HG )) ( segid " " and resid 74 and name HD1%) 2.500 0.800 0.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.33457E-02 ppm1 1.449 ppm2 0.766 CV 1 OR { 730} (( segid " " and resid 74 and name HG )) ( segid " " and resid 11 and name HG2%) ASSI { 979} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 139 and name HB1 )) 2.600 2.600 3.400 peak 979 spectrum 1 weight 0.10000E+01 volume 0.23482E-02 ppm1 2.098 ppm2 3.392 CV 1 OR { 979} (( segid " " and resid 136 and name HG1 )) (( segid " " and resid 139 and name HB1 )) OR { 979} (( segid " " and resid 136 and name HG2 )) (( segid " " and resid 134 and name HB1 )) OR { 979} (( segid " " and resid 136 and name HG1 )) (( segid " " and resid 134 and name HB1 )) OR { 979} (( segid " " and resid 144 and name HG1 )) (( segid " " and resid 139 and name HB1 )) ASSI { 1196} (( segid " " and resid 100 and name HD2 )) (( segid " " and resid 100 and name HE2 )) 2.500 0.800 0.800 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.29846E-02 ppm1 1.634 ppm2 2.963 CV 1 OR { 1196} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 98 and name HE1 )) OR { 1196} (( segid " " and resid 100 and name HD2 )) (( segid " " and resid 100 and name HE1 )) OR { 1196} (( segid " " and resid 100 and name HD1 )) (( segid " " and resid 100 and name HE2 )) OR { 1196} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 98 and name HE2 )) OR { 1196} (( segid " " and resid 98 and name HD1 )) (( segid " " and resid 98 and name HE2 )) OR { 1196} (( segid " " and resid 98 and name HD2 )) (( segid " " and resid 98 and name HE1 )) OR { 1196} (( segid " " and resid 100 and name HD1 )) (( segid " " and resid 100 and name HE1 )) OR { 1196} (( segid " " and resid 38 and name HD1 )) (( segid " " and resid 38 and name HE2 )) OR { 1196} (( segid " " and resid 38 and name HD2 )) (( segid " " and resid 38 and name HE1 )) ASSI { 1418} (( segid " " and resid 75 and name HG1 )) ( segid " " and resid 75 and name HE% ) 2.600 0.800 0.800 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.26905E-02 ppm1 2.824 ppm2 2.238 CV 1 OR { 1418} (( segid " " and resid 75 and name HG1 )) (( segid " " and resid 73 and name HB1 )) ASSI { 1451} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 14 and name HB2 )) 2.700 2.700 3.300 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.20676E-02 ppm1 2.512 ppm2 2.091 CV 1 OR { 1451} (( segid " " and resid 90 and name HB1 )) (( segid " " and resid 90 and name HG2 )) ASSI { 1475} (( segid " " and resid 136 and name HD2 )) ( segid " " and resid 108 and name HG2%) 2.500 0.800 0.800 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.33202E-02 ppm1 3.766 ppm2 1.099 CV 1 OR { 1475} (( segid " " and resid 136 and name HD2 )) ( segid " " and resid 135 and name HG2%) ASSI { 1508} (( segid " " and resid 94 and name HB1 )) ( segid " " and resid 122 and name HD1%) 4.000 1.000 1.000 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.28939E-02 ppm1 1.794 ppm2 0.944 CV 1 OR { 1508} (( segid " " and resid 94 and name HB2 )) ( segid " " and resid 122 and name HD1%) ASSI { 1572} ( segid " " and resid 43 and name HD1%) ( segid " " and resid 31 and name HD% ) 2.700 2.700 3.300 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.19937E-02 ppm1 0.090 ppm2 7.230 CV 1 OR { 1572} ( segid " " and resid 41 and name HD1%) ( segid " " and resid 99 and name HD% ) OR { 1572} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 133 and name HZ2 )) ASSI { 1646} (( segid " " and resid 82 and name HB2 )) ( segid " " and resid 77 and name HG1%) 2.700 0.900 0.900 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.21861E-02 ppm1 1.775 ppm2 0.859 CV 1 OR { 1646} (( segid " " and resid 82 and name HB2 )) ( segid " " and resid 80 and name HG1%) ASSI { 1670} (( segid " " and resid 105 and name HA )) (( segid " " and resid 105 and name HB2 )) 2.500 0.800 0.800 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.29629E-02 ppm1 5.530 ppm2 2.458 CV 1 OR { 1670} (( segid " " and resid 105 and name HA )) (( segid " " and resid 133 and name HB2 )) ASSI { 1679} (( segid " " and resid 135 and name HA )) (( segid " " and resid 136 and name HG1 )) 2.500 2.500 3.500 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.32065E-02 ppm1 5.404 ppm2 2.159 CV 1 OR { 1679} (( segid " " and resid 60 and name HA )) (( segid " " and resid 33 and name HB )) ASSI { 1816} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 136 and name HD1 )) 2.700 0.900 0.900 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.22030E-02 ppm1 2.058 ppm2 4.140 CV 1 OR { 1816} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 112 and name HA1 )) ASSI { 2021} (( segid " " and resid 137 and name HB2 )) ( segid " " and resid 137 and name HD2%) 2.800 0.900 0.900 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.18597E-02 ppm1 1.423 ppm2 0.800 CV 1 OR { 2021} (( segid " " and resid 25 and name HB2 )) ( segid " " and resid 45 and name HG2%) ASSI { 2032} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 37 and name HB2 )) 4.000 2.200 1.500 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.19453E-02 ppm1 6.579 ppm2 1.884 CV 1 OR { 2032} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 62 and name HB1 )) ASSI { 82} ( segid " " and resid 60 and name HD% ) ( segid " " and resid 67 and name HB% ) 2.600 0.800 0.800 peak 82 spectrum 1 weight 0.10000E+01 volume 0.26232E-02 ppm1 6.798 ppm2 1.238 CV 1 OR { 82} ( segid " " and resid 60 and name HD% ) ( segid " " and resid 63 and name HG2%) ASSI { 92} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 41 and name HD1%) 2.500 0.800 0.800 peak 92 spectrum 1 weight 0.10000E+01 volume 0.33295E-02 ppm1 6.752 ppm2 0.173 CV 1 OR { 92} ( segid " " and resid 105 and name HD% ) ( segid " " and resid 103 and name HG2%) ASSI { 127} ( segid " " and resid 99 and name HD% ) (( segid " " and resid 99 and name HB2 )) 2.300 0.700 0.700 peak 127 spectrum 1 weight 0.10000E+01 volume 0.52476E-02 ppm1 7.278 ppm2 3.137 CV 1 OR { 127} ( segid " " and resid 99 and name HD% ) (( segid " " and resid 99 and name HB1 )) OR { 127} ( segid " " and resid 99 and name HD% ) (( segid " " and resid 127 and name HB1 ))
Contact the webmaster for help, if required. Thursday, May 23, 2024 7:26:55 PM GMT (wattos1)